*HEADER    LIGASE                                  27-FEB-01   1I5H              
*TITLE     SOLUTION STRUCTURE OF THE RNEDD4 WWIII DOMAIN-RENAC BP2               
*TITLE    2 PEPTIDE COMPLEX                                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: UBIQUITIN LIGASE NEDD4;                                    
*COMPND   3 CHAIN: W;                                                            
*COMPND   4 FRAGMENT: WWIII DOMAIN;                                              
*COMPND   5 SYNONYM: RNEDD4;                                                     
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MOL_ID: 2;                                                           
*COMPND   8 MOLECULE: AMILORIDE-SENSITIVE SODIUM CHANNEL BETA-SUBUNIT;           
*COMPND   9 CHAIN: B;                                                            
*COMPND  10 SYNONYM: RENAC BP2 PEPTIDE;                                          
*COMPND  11 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS;                              
*SOURCE   3 ORGANISM_COMMON: RAT;                                                
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PGEX4T2;                                  
*SOURCE   9 MOL_ID: 2;                                                           
*SOURCE  10 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS;                              
*SOURCE  11 ORGANISM_COMMON: RAT;                                                
*SOURCE  12 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE  13 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE  14 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE  15 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  16 EXPRESSION_SYSTEM_PLASMID: PGEX4T2;                                  
*SOURCE  17 OTHER_DETAILS: AN IDENTICAL PEPTIDE WAS MADE SYNTHETICALLY           
*SOURCE  18 USING STANDARD F-MOC CHEMISTRY FOR NMR SAMPLES REQUIRING             
*SOURCE  19 UNLABELED BP2 PEPTIDE.                                               
*KEYWDS    NEDD4, WW DOMAINS, ENAC, PY MOTIF, LIDDLE SYNDROME, NMR,              
*KEYWDS   2 PROLINE-RICH                                                         
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    V.KANELIS, D.ROTIN, J.D.FORMAN-KAY                                    
*REVDAT   1   02-MAY-01 1I5H    0                                                
! unambiguous NOEs assigned by ARIA1.0 
 ASSI {    1}
   (( segid W   and resid 486   and name HE22)) 
   (( segid W   and resid 486   and name HE21)) 
      1.800     0.700     0.700 peak     1 weight  0.10000E+01 volume  0.16459E-01 ppm1      7.140 ppm2      8.316 CV     1
 ASSI {    2}
   (( segid W   and resid 465   and name HZ2 ))
   (( segid W   and resid 465   and name HE1 ))
      2.800     0.900     0.900 peak     2 weight  0.10000E+01 volume  0.22383E-02 ppm1      7.479 ppm2     10.540 CV     1
 ASSI {    5}
   (( segid W   and resid 487   and name HD1 ))
   (( segid W   and resid 487   and name HE1 ))
      2.600     0.900     0.900 peak     5 weight  0.10000E+01 volume  0.33985E-02 ppm1      7.442 ppm2     10.285 CV     1
 ASSI {    6}
   (( segid W   and resid 487   and name HZ2 ))
   (( segid W   and resid 487   and name HE1 ))
      3.000     1.000     1.000 peak     6 weight  0.10000E+01 volume  0.16217E-02 ppm1      7.074 ppm2     10.283 CV     1
 ASSI {    9}
   (( segid W   and resid 479   and name HA ))
   (( segid W   and resid 480   and name HN ))
      2.300     0.800     0.800 peak     9 weight  0.10000E+01 volume  0.53805E-02 ppm1      3.955 ppm2      8.718 CV     1
 ASSI {   10}
   (( segid W   and resid 479   and name HA ))
   (( segid W   and resid 479   and name HN ))
      3.100     1.100     1.100 peak    10 weight  0.10000E+01 volume  0.94908E-03 ppm1      3.955 ppm2      8.483 CV     1
 ASSI {   11}
   (( segid W   and resid 471   and name HA ))
   (( segid W   and resid 472   and name HN ))
      3.100     1.000     1.000 peak    11 weight  0.10000E+01 volume  0.12309E-02 ppm1      3.918 ppm2      7.453 CV     1
 ASSI {   16}
   (( segid W   and resid 479   and name HB1 ))
   (( segid W   and resid 479   and name HN ))
      3.000     1.000     1.000 peak    16 weight  0.10000E+01 volume  0.12403E-02 ppm1      0.126 ppm2      8.486 CV     1
 ASSI {   19}
   (( segid W   and resid 486   and name HG1 ))
   (( segid W   and resid 486   and name HN ))
      3.400     1.200     1.200 peak    19 weight  0.10000E+01 volume  0.57007E-03 ppm1      2.923 ppm2      9.290 CV     1
 ASSI {   20}
   (( segid W   and resid 486   and name HG1 ))
   (( segid W   and resid 488   and name HN ))
      3.300     1.100     1.100 peak    20 weight  0.10000E+01 volume  0.88797E-03 ppm1      2.923 ppm2      8.651 CV     1
 ASSI {   21}
   (( segid W   and resid 486   and name HG1 ))
   (( segid W   and resid 486   and name HE22)) 
      3.900     1.100     1.100 peak    21 weight  0.10000E+01 volume  0.10120E-02 ppm1      2.923 ppm2      7.125 CV     1
 ASSI {   22}
   (( segid W   and resid 486   and name HG1 ))
   (( segid W   and resid 486   and name HE21)) 
      2.300     0.900     0.900 peak    22 weight  0.10000E+01 volume  0.35010E-02 ppm1      2.923 ppm2      8.317 CV     1
 ASSI {   24}
   (( segid W   and resid 486   and name HG2 ))
   (( segid W   and resid 486   and name HE22)) 
      4.300     1.200     1.200 peak    24 weight  0.10000E+01 volume  0.44127E-03 ppm1      2.407 ppm2      7.125 CV     1
 ASSI {   25}
   (( segid W   and resid 465   and name HN ))
   (( segid W   and resid 465   and name HE1 ))
      6.000     1.800     0.000 peak    25 weight  0.10000E+01 volume  0.43301E-04 ppm1      7.761 ppm2     10.540 CV     1
 ASSI {   26}
   (( segid W   and resid 465   and name HD1 ))
   (( segid W   and resid 465   and name HE1 ))
      2.600     0.900     0.900 peak    26 weight  0.10000E+01 volume  0.33623E-02 ppm1      7.100 ppm2     10.540 CV     1
 ASSI {   28}
   (( segid W   and resid 487   and name HB1 ))
   (( segid W   and resid 487   and name HN ))
      3.300     0.900     0.900 peak    28 weight  0.10000E+01 volume  0.27525E-02 ppm1      3.143 ppm2      9.103 CV     1
 ASSI {   29}
   (( segid W   and resid 487   and name HB1 ))
   (( segid W   and resid 488   and name HN ))
      3.400     1.100     1.100 peak    29 weight  0.10000E+01 volume  0.98569E-03 ppm1      3.138 ppm2      8.652 CV     1
 ASSI {   30}
   (( segid W   and resid 493   and name HE22)) 
   (( segid W   and resid 493   and name HE21)) 
      1.800     0.600     0.600 peak    30 weight  0.10000E+01 volume  0.24207E-01 ppm1      6.795 ppm2      7.461 CV     1
 ASSI {   31}
   (( segid W   and resid 476   and name HB2 ))
   (( segid W   and resid 476   and name HN ))
      4.000     1.200     1.200 peak    31 weight  0.10000E+01 volume  0.46194E-03 ppm1      3.138 ppm2      8.967 CV     1
 ASSI {   33}
   (( segid W   and resid 476   and name HB1 ))
   (( segid W   and resid 477   and name HN ))
      3.300     0.800     0.800 peak    33 weight  0.10000E+01 volume  0.38101E-02 ppm1      2.492 ppm2      8.959 CV     1
 ASSI {   34}
   (( segid W   and resid 489   and name HB1 ))
   (( segid W   and resid 489   and name HN ))
      3.100     0.900     0.900 peak    34 weight  0.10000E+01 volume  0.28753E-02 ppm1      2.570 ppm2      8.322 CV     1
 ASSI {   36}
   (( segid W   and resid 477   and name HB2 ))
   (( segid W   and resid 477   and name HN ))
      3.100     1.100     1.100 peak    36 weight  0.10000E+01 volume  0.80055E-03 ppm1      3.267 ppm2      8.958 CV     1
 ASSI {   50}
   (( segid W   and resid 491   and name HD1 ))
   (( segid W   and resid 491   and name HH21)) 
      3.100     0.900     0.900 peak    50 weight  0.10000E+01 volume  0.23691E-02 ppm1      2.748 ppm2      6.985 CV     1
 OR {   50}
   (( segid W   and resid 491   and name HD2 ))
   (( segid W   and resid 491   and name HH21)) 
 ASSI {   51}
   (( segid W   and resid 462   and name HB2 ))
   (( segid W   and resid 465   and name HE1 ))
      3.700     1.100     1.100 peak    51 weight  0.10000E+01 volume  0.66035E-03 ppm1      1.951 ppm2     10.540 CV     1
 ASSI {   52}
   (( segid W   and resid 462   and name HG2 ))
   (( segid W   and resid 465   and name HE1 ))
      3.600     1.200     1.200 peak    52 weight  0.10000E+01 volume  0.47374E-03 ppm1      1.363 ppm2     10.541 CV     1
 ASSI {   53}
   (( segid W   and resid 462   and name HD2 ))
   (( segid W   and resid 465   and name HE1 ))
      4.600     1.400     1.400 peak    53 weight  0.10000E+01 volume  0.16180E-03 ppm1      2.756 ppm2     10.544 CV     1
 ASSI {   56}
   (( segid W   and resid 479   and name HB1 ))
   (( segid W   and resid 465   and name HE1 ))
      3.200     1.000     1.000 peak    56 weight  0.10000E+01 volume  0.10505E-02 ppm1      0.107 ppm2     10.540 CV     1
 ASSI {   68}
   (( segid W   and resid 491   and name HB2 ))
   (( segid W   and resid 491   and name HH21)) 
      4.400     1.300     1.300 peak    68 weight  0.10000E+01 volume  0.27637E-03 ppm1      1.813 ppm2      6.984 CV     1
 ASSI {   76}
   (( segid W   and resid 453   and name HA ))
   (( segid W   and resid 454   and name HN ))
      3.300     1.100     1.100 peak    76 weight  0.10000E+01 volume  0.92748E-03 ppm1      4.119 ppm2      8.269 CV     1
 ASSI {   77}
   (( segid W   and resid 454   and name HB2 ))
   (( segid W   and resid 454   and name HN ))
      4.100     1.300     1.300 peak    77 weight  0.10000E+01 volume  0.24523E-03 ppm1      2.662 ppm2      8.274 CV     1
 ASSI {   78}
   (( segid W   and resid 454   and name HB1 ))
   (( segid W   and resid 454   and name HN ))
      3.800     1.200     1.200 peak    78 weight  0.10000E+01 volume  0.50562E-03 ppm1      2.742 ppm2      8.267 CV     1
 ASSI {   81}
   (( segid W   and resid 455   and name HA ))
   (( segid W   and resid 455   and name HN ))
      3.500     1.100     1.100 peak    81 weight  0.10000E+01 volume  0.63544E-03 ppm1      4.382 ppm2      8.272 CV     1
 ASSI {   85}
   (( segid W   and resid 456   and name HB2 ))
   (( segid W   and resid 456   and name HN ))
      3.900     1.300     1.300 peak    85 weight  0.10000E+01 volume  0.34558E-03 ppm1      2.794 ppm2      8.486 CV     1
 OR {   85}
   (( segid W   and resid 456   and name HB1 ))
   (( segid W   and resid 456   and name HN ))
 ASSI {   88}
   (( segid W   and resid 456   and name HD22)) 
   (( segid W   and resid 456   and name HD21)) 
      1.800     0.600     0.600 peak    88 weight  0.10000E+01 volume  0.20398E-01 ppm1      6.870 ppm2      7.653 CV     1
 ASSI {   93}
   (( segid W   and resid 457   and name HB1 ))
   (( segid W   and resid 457   and name HN ))
      3.300     1.000     1.000 peak    93 weight  0.10000E+01 volume  0.15217E-02 ppm1      2.735 ppm2      8.188 CV     1
 ASSI {   94}
   (( segid W   and resid 457   and name HB2 ))
   (( segid W   and resid 457   and name HN ))
      3.100     1.000     1.000 peak    94 weight  0.10000E+01 volume  0.10955E-02 ppm1      2.603 ppm2      8.188 CV     1
 ASSI {   97}
   (( segid W   and resid 457   and name HA ))
   (( segid W   and resid 458   and name HN ))
      2.500     0.800     0.800 peak    97 weight  0.10000E+01 volume  0.37846E-02 ppm1      4.597 ppm2      8.213 CV     1
 ASSI {   98}
   (( segid W   and resid 458   and name HA ))
   (( segid W   and resid 458   and name HN ))
      3.100     1.000     1.000 peak    98 weight  0.10000E+01 volume  0.12861E-02 ppm1      4.232 ppm2      8.211 CV     1
 ASSI {  100}
   (( segid W   and resid 457   and name HB2 ))
   (( segid W   and resid 458   and name HN ))
      4.800     1.400     1.200 peak   100 weight  0.10000E+01 volume  0.16348E-03 ppm1      2.619 ppm2      8.214 CV     1
 ASSI {  102}
   (( segid W   and resid 458   and name HG ))
   (( segid W   and resid 458   and name HN ))
      2.600     0.800     0.800 peak   102 weight  0.10000E+01 volume  0.59083E-02 ppm1      1.621 ppm2      8.214 CV     1
 OR {  102}
   (( segid W   and resid 458   and name HB1 ))
   (( segid W   and resid 458   and name HN ))
 ASSI {  106}
   (( segid W   and resid 458   and name HB2 ))
   (( segid W   and resid 459   and name HN ))
      3.800     1.300     1.300 peak   106 weight  0.10000E+01 volume  0.35122E-03 ppm1      1.426 ppm2      8.145 CV     1
 ASSI {  107}
   (( segid W   and resid 458   and name HB1 ))
   (( segid W   and resid 459   and name HN ))
      3.700     1.100     1.100 peak   107 weight  0.10000E+01 volume  0.67431E-03 ppm1      1.618 ppm2      8.146 CV     1
 ASSI {  109}
   (( segid W   and resid 459   and name HA2 ))
   (( segid W   and resid 459   and name HN ))
      2.500     0.800     0.800 peak   109 weight  0.10000E+01 volume  0.43434E-02 ppm1      3.936 ppm2      8.145 CV     1
 ASSI {  117}
   (( segid W   and resid 473   and name HA1 ))
   (( segid W   and resid 473   and name HN ))
      2.400     0.800     0.800 peak   117 weight  0.10000E+01 volume  0.48521E-02 ppm1      3.552 ppm2      8.110 CV     1
 ASSI {  118}
   (( segid W   and resid 473   and name HA2 ))
   (( segid W   and resid 473   and name HN ))
      3.000     0.900     0.900 peak   118 weight  0.10000E+01 volume  0.22181E-02 ppm1      4.350 ppm2      8.109 CV     1
 ASSI {  119}
   (( segid W   and resid 472   and name HA ))
   (( segid W   and resid 473   and name HN ))
      3.200     1.000     1.000 peak   119 weight  0.10000E+01 volume  0.10578E-02 ppm1      4.556 ppm2      8.112 CV     1
 ASSI {  120}
   (( segid W   and resid 470   and name HA ))
   (( segid W   and resid 473   and name HN ))
      4.700     1.500     1.300 peak   120 weight  0.10000E+01 volume  0.13917E-03 ppm1      5.258 ppm2      8.104 CV     1
 ASSI {  124}
   (( segid W   and resid 461   and name HG ))
   (( segid W   and resid 461   and name HN ))
      2.400     0.800     0.800 peak   124 weight  0.10000E+01 volume  0.72955E-02 ppm1      1.807 ppm2      8.694 CV     1
 OR {  124}
   (( segid W   and resid 461   and name HB2 ))
   (( segid W   and resid 461   and name HN ))
 ASSI {  127}
   (( segid W   and resid 491   and name HD2 ))
   (( segid W   and resid 461   and name HN ))
      3.900     1.200     1.200 peak   127 weight  0.10000E+01 volume  0.52894E-03 ppm1      2.743 ppm2      8.687 CV     1
 OR {  127}
   (( segid W   and resid 491   and name HD1 ))
   (( segid W   and resid 461   and name HN ))
 ASSI {  128}
   (( segid W   and resid 461   and name HA ))
   (( segid W   and resid 461   and name HN ))
      2.800     1.000     1.000 peak   128 weight  0.10000E+01 volume  0.16250E-02 ppm1      4.101 ppm2      8.695 CV     1
 ASSI {  129}
   (( segid W   and resid 460   and name HA ))
   (( segid W   and resid 461   and name HN ))
      2.300     0.800     0.800 peak   129 weight  0.10000E+01 volume  0.62299E-02 ppm1      4.521 ppm2      8.694 CV     1
 ASSI {  132}
   (( segid W   and resid 465   and name HN ))
   (( segid W   and resid 464   and name HN ))
      3.200     1.000     1.000 peak   132 weight  0.10000E+01 volume  0.10335E-02 ppm1      7.766 ppm2      8.997 CV     1
 ASSI {  134}
   (( segid W   and resid 463   and name HA ))
   (( segid W   and resid 464   and name HN ))
      2.500     0.800     0.800 peak   134 weight  0.10000E+01 volume  0.38779E-02 ppm1      4.481 ppm2      8.997 CV     1
 ASSI {  135}
   (( segid W   and resid 464   and name HA1 ))
   (( segid W   and resid 464   and name HN ))
      3.700     1.100     1.100 peak   135 weight  0.10000E+01 volume  0.68693E-03 ppm1      4.282 ppm2      8.996 CV     1
 ASSI {  136}
   (( segid W   and resid 464   and name HA2 ))
   (( segid W   and resid 464   and name HN ))
      2.700     0.900     0.900 peak   136 weight  0.10000E+01 volume  0.22261E-02 ppm1      3.810 ppm2      8.997 CV     1
 ASSI {  137}
   (( segid W   and resid 463   and name HB1 ))
   (( segid W   and resid 464   and name HN ))
      4.700     1.300     1.300 peak   137 weight  0.10000E+01 volume  0.28287E-03 ppm1      2.415 ppm2      8.998 CV     1
 ASSI {  138}
   (( segid W   and resid 463   and name HB2 ))
   (( segid W   and resid 464   and name HN ))
      4.300     1.300     1.300 peak   138 weight  0.10000E+01 volume  0.25257E-03 ppm1      2.018 ppm2      9.000 CV     1
 ASSI {  139}
   (( segid W   and resid 461   and name HB1 ))
   (( segid W   and resid 465   and name HN ))
      4.400     1.400     1.400 peak   139 weight  0.10000E+01 volume  0.21204E-03 ppm1      1.431 ppm2      7.769 CV     1
 ASSI {  141}
   (( segid W   and resid 465   and name HB2 ))
   (( segid W   and resid 465   and name HN ))
      3.000     1.100     1.100 peak   141 weight  0.10000E+01 volume  0.10000E-02 ppm1      3.130 ppm2      7.768 CV     1
 ASSI {  142}
   (( segid W   and resid 465   and name HB1 ))
   (( segid W   and resid 465   and name HN ))
      3.100     0.800     0.800 peak   142 weight  0.10000E+01 volume  0.36536E-02 ppm1      3.374 ppm2      7.768 CV     1
 ASSI {  144}
   (( segid W   and resid 464   and name HA1 ))
   (( segid W   and resid 465   and name HN ))
      3.500     1.100     1.100 peak   144 weight  0.10000E+01 volume  0.61878E-03 ppm1      4.283 ppm2      7.769 CV     1
 ASSI {  145}
   (( segid W   and resid 463   and name HA ))
   (( segid W   and resid 465   and name HN ))
      3.800     1.200     1.200 peak   145 weight  0.10000E+01 volume  0.52227E-03 ppm1      4.474 ppm2      7.769 CV     1
 ASSI {  147}
   (( segid W   and resid 465   and name HA ))
   (( segid W   and resid 465   and name HN ))
      3.000     1.000     1.000 peak   147 weight  0.10000E+01 volume  0.13084E-02 ppm1      6.069 ppm2      7.769 CV     1
 ASSI {  151}
   (( segid W   and resid 466   and name HN ))
   (( segid W   and resid 465   and name HN ))
      4.900     1.400     1.100 peak   151 weight  0.10000E+01 volume  0.16546E-03 ppm1      9.372 ppm2      7.763 CV     1
 ASSI {  154}
   (( segid W   and resid 478   and name HN ))
   (( segid W   and resid 466   and name HN ))
      3.200     1.100     1.100 peak   154 weight  0.10000E+01 volume  0.78515E-03 ppm1      9.561 ppm2      9.378 CV     1
 ASSI {  157}
   (( segid W   and resid 465   and name HE3 ))
   (( segid W   and resid 466   and name HN ))
      3.800     1.300     1.300 peak   157 weight  0.10000E+01 volume  0.33932E-03 ppm1      7.469 ppm2      9.379 CV     1
 ASSI {  158}
   (( segid W   and resid 480   and name HD2 ))
   (( segid W   and resid 466   and name HN ))
      4.500     1.400     1.400 peak   158 weight  0.10000E+01 volume  0.18019E-03 ppm1      6.896 ppm2      9.375 CV     1
 ASSI {  159}
   (( segid W   and resid 465   and name HA ))
   (( segid W   and resid 466   and name HN ))
      2.300     0.800     0.800 peak   159 weight  0.10000E+01 volume  0.56397E-02 ppm1      6.070 ppm2      9.377 CV     1
 ASSI {  160}
   (( segid W   and resid 466   and name HA ))
   (( segid W   and resid 466   and name HN ))
      2.900     1.000     1.000 peak   160 weight  0.10000E+01 volume  0.14586E-02 ppm1      4.791 ppm2      9.374 CV     1
 ASSI {  161}
   (( segid W   and resid 478   and name HA ))
   (( segid W   and resid 466   and name HN ))
      4.700     1.500     1.300 peak   161 weight  0.10000E+01 volume  0.13861E-03 ppm1      4.327 ppm2      9.375 CV     1
 ASSI {  162}
   (( segid W   and resid 479   and name HA ))
   (( segid W   and resid 466   and name HN ))
      4.400     1.300     1.300 peak   162 weight  0.10000E+01 volume  0.33153E-03 ppm1      3.951 ppm2      9.380 CV     1
 ASSI {  163}
   (( segid W   and resid 465   and name HB1 ))
   (( segid W   and resid 466   and name HN ))
      3.200     1.100     1.100 peak   163 weight  0.10000E+01 volume  0.68611E-03 ppm1      3.371 ppm2      9.381 CV     1
 ASSI {  164}
   (( segid W   and resid 465   and name HB2 ))
   (( segid W   and resid 466   and name HN ))
      3.600     1.000     1.000 peak   164 weight  0.10000E+01 volume  0.17401E-02 ppm1      3.130 ppm2      9.377 CV     1
 ASSI {  165}
   (( segid W   and resid 466   and name HG1 ))
   (( segid W   and resid 466   and name HN ))
      4.800     1.400     1.200 peak   165 weight  0.10000E+01 volume  0.19469E-03 ppm1      2.425 ppm2      9.376 CV     1
 ASSI {  166}
   (( segid W   and resid 466   and name HB1 ))
   (( segid W   and resid 466   and name HN ))
      3.000     1.000     1.000 peak   166 weight  0.10000E+01 volume  0.18639E-02 ppm1      2.137 ppm2      9.376 CV     1
 ASSI {  167}
   (( segid W   and resid 466   and name HB2 ))
   (( segid W   and resid 466   and name HN ))
      2.800     1.000     1.000 peak   167 weight  0.10000E+01 volume  0.15777E-02 ppm1      2.028 ppm2      9.377 CV     1
 ASSI {  169}
   ( segid W   and resid 461   and name HD1%) 
   (( segid W   and resid 466   and name HN ))
      3.800     1.300     1.300 peak   169 weight  0.10000E+01 volume  0.35024E-03 ppm1      1.138 ppm2      9.378 CV     1
 ASSI {  172}
   ( segid W   and resid 478   and name HG2%) 
   (( segid W   and resid 466   and name HN ))
      3.900     1.300     1.300 peak   172 weight  0.10000E+01 volume  0.28465E-03 ppm1      0.262 ppm2      9.375 CV     1
 ASSI {  175}
   (( segid W   and resid 473   and name HN ))
   (( segid W   and resid 470   and name HN ))
      4.700     1.500     1.300 peak   175 weight  0.10000E+01 volume  0.10835E-03 ppm1      8.094 ppm2      9.809 CV     1
 ASSI {  177}
   (( segid W   and resid 470   and name HA ))
   (( segid W   and resid 470   and name HN ))
      3.200     1.000     1.000 peak   177 weight  0.10000E+01 volume  0.10612E-02 ppm1      5.253 ppm2      9.812 CV     1
 ASSI {  178}
   (( segid W   and resid 469   and name HA ))
   (( segid W   and resid 470   and name HN ))
      2.200     0.800     0.800 peak   178 weight  0.10000E+01 volume  0.76090E-02 ppm1      4.718 ppm2      9.812 CV     1
 ASSI {  179}
   (( segid W   and resid 475   and name HA ))
   (( segid W   and resid 470   and name HN ))
      2.500     0.800     0.800 peak   179 weight  0.10000E+01 volume  0.48844E-02 ppm1      4.816 ppm2      9.816 CV     1
 ASSI {  181}
   (( segid W   and resid 470   and name HB1 ))
   (( segid W   and resid 470   and name HN ))
      2.700     0.900     0.900 peak   181 weight  0.10000E+01 volume  0.28180E-02 ppm1      3.366 ppm2      9.811 CV     1
 ASSI {  190}
   (( segid W   and resid 477   and name HA ))
   (( segid W   and resid 478   and name HN ))
      2.300     0.800     0.800 peak   190 weight  0.10000E+01 volume  0.63522E-02 ppm1      5.283 ppm2      9.545 CV     1
 ASSI {  191}
   (( segid W   and resid 467   and name HA ))
   (( segid W   and resid 478   and name HN ))
      3.600     1.200     1.200 peak   191 weight  0.10000E+01 volume  0.52317E-03 ppm1      4.770 ppm2      9.544 CV     1
 ASSI {  194}
   (( segid W   and resid 466   and name HB2 ))
   (( segid W   and resid 478   and name HN ))
      4.400     1.300     1.300 peak   194 weight  0.10000E+01 volume  0.25330E-03 ppm1      2.024 ppm2      9.543 CV     1
 ASSI {  195}
   (( segid W   and resid 478   and name HB ))
   (( segid W   and resid 478   and name HN ))
      2.600     0.900     0.900 peak   195 weight  0.10000E+01 volume  0.30565E-02 ppm1      1.500 ppm2      9.546 CV     1
 ASSI {  199}
   ( segid W   and resid 478   and name HG2%) 
   (( segid W   and resid 478   and name HN ))
      3.500     1.200     1.200 peak   199 weight  0.10000E+01 volume  0.47048E-03 ppm1      0.261 ppm2      9.549 CV     1
 ASSI {  201}
   (( segid W   and resid 478   and name HN ))
   (( segid W   and resid 486   and name HN ))
      3.900     1.200     1.200 peak   201 weight  0.10000E+01 volume  0.41345E-03 ppm1      9.533 ppm2      9.289 CV     1
 ASSI {  203}
   (( segid W   and resid 477   and name HN ))
   (( segid W   and resid 486   and name HN ))
      3.100     1.000     1.000 peak   203 weight  0.10000E+01 volume  0.10715E-02 ppm1      8.953 ppm2      9.287 CV     1
 ASSI {  204}
   (( segid W   and resid 486   and name HE21)) 
   (( segid W   and resid 486   and name HN ))
      4.800     1.400     1.200 peak   204 weight  0.10000E+01 volume  0.21222E-03 ppm1      8.331 ppm2      9.296 CV     1
 ASSI {  205}
   (( segid W   and resid 485   and name HN ))
   (( segid W   and resid 486   and name HN ))
      4.300     1.300     1.300 peak   205 weight  0.10000E+01 volume  0.27778E-03 ppm1      7.991 ppm2      9.289 CV     1
 ASSI {  208}
   (( segid W   and resid 465   and name HZ3 ))
   (( segid W   and resid 486   and name HN ))
      4.500     1.500     1.500 peak   208 weight  0.10000E+01 volume  0.13768E-03 ppm1      6.798 ppm2      9.296 CV     1
 ASSI {  209}
   (( segid W   and resid 485   and name HA ))
   (( segid W   and resid 486   and name HN ))
      2.400     0.800     0.800 peak   209 weight  0.10000E+01 volume  0.48021E-02 ppm1      5.523 ppm2      9.289 CV     1
 ASSI {  210}
   (( segid W   and resid 486   and name HA ))
   (( segid W   and resid 486   and name HN ))
      3.000     1.000     1.000 peak   210 weight  0.10000E+01 volume  0.14067E-02 ppm1      4.804 ppm2      9.286 CV     1
 ASSI {  211}
   (( segid W   and resid 478   and name HA ))
   (( segid W   and resid 486   and name HN ))
      4.200     1.200     1.200 peak   211 weight  0.10000E+01 volume  0.36589E-03 ppm1      4.334 ppm2      9.282 CV     1
 ASSI {  212}
   (( segid W   and resid 485   and name HB ))
   (( segid W   and resid 486   and name HN ))
      3.000     0.900     0.900 peak   212 weight  0.10000E+01 volume  0.21139E-02 ppm1      4.047 ppm2      9.288 CV     1
 ASSI {  214}
   (( segid W   and resid 486   and name HG2 ))
   (( segid W   and resid 486   and name HN ))
      2.600     0.900     0.900 peak   214 weight  0.10000E+01 volume  0.32596E-02 ppm1      2.405 ppm2      9.288 CV     1
 ASSI {  215}
   (( segid W   and resid 486   and name HB1 ))
   (( segid W   and resid 486   and name HN ))
      2.900     0.900     0.900 peak   215 weight  0.10000E+01 volume  0.24263E-02 ppm1      2.528 ppm2      9.288 CV     1
 OR {  215}
   (( segid W   and resid 486   and name HB2 ))
   (( segid W   and resid 486   and name HN ))
 ASSI {  217}
   ( segid W   and resid 485   and name HG2%) 
   (( segid W   and resid 486   and name HN ))
      4.000     1.200     1.200 peak   217 weight  0.10000E+01 volume  0.41765E-03 ppm1      1.204 ppm2      9.287 CV     1
 ASSI {  222}
   (( segid W   and resid 487   and name HD1 ))
   (( segid W   and resid 487   and name HN ))
      3.700     1.100     1.100 peak   222 weight  0.10000E+01 volume  0.63941E-03 ppm1      7.446 ppm2      9.101 CV     1
 ASSI {  224}
   (( segid W   and resid 487   and name HA ))
   (( segid W   and resid 487   and name HN ))
      3.000     1.000     1.000 peak   224 weight  0.10000E+01 volume  0.13285E-02 ppm1      5.238 ppm2      9.104 CV     1
 ASSI {  225}
   (( segid W   and resid 486   and name HA ))
   (( segid W   and resid 487   and name HN ))
      2.300     0.800     0.800 peak   225 weight  0.10000E+01 volume  0.51866E-02 ppm1      4.799 ppm2      9.101 CV     1
 ASSI {  226}
   (( segid W   and resid 487   and name HB2 ))
   (( segid W   and resid 487   and name HN ))
      3.000     1.000     1.000 peak   226 weight  0.10000E+01 volume  0.10343E-02 ppm1      3.609 ppm2      9.102 CV     1
 ASSI {  228}
   (( segid W   and resid 486   and name HG1 ))
   (( segid W   and resid 487   and name HN ))
      4.300     1.400     1.400 peak   228 weight  0.10000E+01 volume  0.20588E-03 ppm1      2.921 ppm2      9.095 CV     1
 ASSI {  236}
   (( segid W   and resid 476   and name HA ))
   (( segid W   and resid 476   and name HN ))
      3.000     1.000     1.000 peak   236 weight  0.10000E+01 volume  0.13333E-02 ppm1      5.162 ppm2      8.968 CV     1
 ASSI {  237}
   (( segid W   and resid 475   and name HA ))
   (( segid W   and resid 476   and name HN ))
      2.200     0.800     0.800 peak   237 weight  0.10000E+01 volume  0.71707E-02 ppm1      4.819 ppm2      8.968 CV     1
 ASSI {  238}
   (( segid W   and resid 469   and name HA ))
   (( segid W   and resid 476   and name HN ))
      3.400     1.000     1.000 peak   238 weight  0.10000E+01 volume  0.17768E-02 ppm1      4.719 ppm2      8.968 CV     1
 ASSI {  239}
   (( segid W   and resid 476   and name HB1 ))
   (( segid W   and resid 476   and name HN ))
      3.700     1.300     1.300 peak   239 weight  0.10000E+01 volume  0.33268E-03 ppm1      2.513 ppm2      8.968 CV     1
 ASSI {  240}
   (( segid W   and resid 475   and name HB ))
   (( segid W   and resid 476   and name HN ))
      3.800     1.000     1.000 peak   240 weight  0.10000E+01 volume  0.10839E-02 ppm1      1.939 ppm2      8.968 CV     1
 ASSI {  248}
   (( segid W   and resid 466   and name HG1 ))
   (( segid W   and resid 467   and name HN ))
      4.000     1.100     1.100 peak   248 weight  0.10000E+01 volume  0.78751E-03 ppm1      2.417 ppm2      8.772 CV     1
 ASSI {  250}
   (( segid W   and resid 466   and name HG2 ))
   (( segid W   and resid 467   and name HN ))
      3.100     1.000     1.000 peak   250 weight  0.10000E+01 volume  0.12684E-02 ppm1      2.198 ppm2      8.774 CV     1
 ASSI {  251}
   (( segid W   and resid 467   and name HB1 ))
   (( segid W   and resid 467   and name HN ))
      2.600     0.800     0.800 peak   251 weight  0.10000E+01 volume  0.42688E-02 ppm1      1.857 ppm2      8.775 CV     1
 OR {  251}
   (( segid W   and resid 467   and name HB2 ))
   (( segid W   and resid 467   and name HN ))
 ASSI {  259}
   (( segid W   and resid 477   and name HA ))
   (( segid W   and resid 477   and name HN ))
      2.800     0.900     0.900 peak   259 weight  0.10000E+01 volume  0.21558E-02 ppm1      5.276 ppm2      8.963 CV     1
 ASSI {  260}
   (( segid W   and resid 476   and name HA ))
   (( segid W   and resid 477   and name HN ))
      2.500     0.800     0.800 peak   260 weight  0.10000E+01 volume  0.42194E-02 ppm1      5.161 ppm2      8.959 CV     1
 ASSI {  261}
   (( segid W   and resid 486   and name HG1 ))
   (( segid W   and resid 477   and name HN ))
      4.400     1.500     1.500 peak   261 weight  0.10000E+01 volume  0.12267E-03 ppm1      2.922 ppm2      8.960 CV     1
 ASSI {  267}
   (( segid W   and resid 480   and name HD2 ))
   (( segid W   and resid 480   and name HN ))
      3.300     1.100     1.100 peak   267 weight  0.10000E+01 volume  0.73449E-03 ppm1      6.905 ppm2      8.720 CV     1
 ASSI {  269}
   (( segid W   and resid 465   and name HA ))
   (( segid W   and resid 480   and name HN ))
      3.500     1.100     1.100 peak   269 weight  0.10000E+01 volume  0.10237E-02 ppm1      6.070 ppm2      8.720 CV     1
 ASSI {  271}
   (( segid W   and resid 480   and name HA ))
   (( segid W   and resid 480   and name HN ))
      3.000     1.000     1.000 peak   271 weight  0.10000E+01 volume  0.13821E-02 ppm1      4.195 ppm2      8.719 CV     1
 ASSI {  272}
   (( segid W   and resid 480   and name HB2 ))
   (( segid W   and resid 480   and name HN ))
      2.800     1.000     1.000 peak   272 weight  0.10000E+01 volume  0.17473E-02 ppm1      3.114 ppm2      8.719 CV     1
 ASSI {  273}
   (( segid W   and resid 480   and name HB1 ))
   (( segid W   and resid 480   and name HN ))
      3.100     0.800     0.800 peak   273 weight  0.10000E+01 volume  0.38891E-02 ppm1      3.227 ppm2      8.718 CV     1
 ASSI {  279}
   (( segid W   and resid 491   and name HB1 ))
   (( segid W   and resid 491   and name HE ))
      3.400     0.900     0.900 peak   279 weight  0.10000E+01 volume  0.21357E-02 ppm1      1.589 ppm2      8.699 CV     1
 ASSI {  282}
   (( segid W   and resid 491   and name HH21)) 
   (( segid W   and resid 491   and name HE ))
      3.400     1.200     1.200 peak   282 weight  0.10000E+01 volume  0.55381E-03 ppm1      6.983 ppm2      8.700 CV     1
 ASSI {  283}
   (( segid W   and resid 491   and name HA ))
   (( segid W   and resid 491   and name HE ))
      5.900     1.600     0.100 peak   283 weight  0.10000E+01 volume  0.76496E-04 ppm1      3.921 ppm2      8.714 CV     1
 ASSI {  285}
   (( segid W   and resid 491   and name HD2 ))
   (( segid W   and resid 491   and name HE ))
      2.800     1.000     1.000 peak   285 weight  0.10000E+01 volume  0.18400E-02 ppm1      2.751 ppm2      8.698 CV     1
 OR {  285}
   (( segid W   and resid 491   and name HD1 ))
   (( segid W   and resid 491   and name HE ))
 ASSI {  286}
   (( segid W   and resid 491   and name HG1 ))
   (( segid W   and resid 491   and name HE ))
      2.700     0.900     0.900 peak   286 weight  0.10000E+01 volume  0.21048E-02 ppm1      1.722 ppm2      8.700 CV     1
 ASSI {  289}
   (( segid W   and resid 491   and name HG2 ))
   (( segid W   and resid 491   and name HE ))
      3.400     1.000     1.000 peak   289 weight  0.10000E+01 volume  0.16269E-02 ppm1      1.157 ppm2      8.700 CV     1
 ASSI {  292}
   (( segid W   and resid 487   and name HN ))
   (( segid W   and resid 488   and name HN ))
      2.700     0.900     0.900 peak   292 weight  0.10000E+01 volume  0.25705E-02 ppm1      9.099 ppm2      8.653 CV     1
 ASSI {  297}
   (( segid W   and resid 487   and name HA ))
   (( segid W   and resid 488   and name HN ))
      3.600     1.200     1.200 peak   297 weight  0.10000E+01 volume  0.55786E-03 ppm1      5.238 ppm2      8.652 CV     1
 ASSI {  298}
   (( segid W   and resid 486   and name HA ))
   (( segid W   and resid 488   and name HN ))
      4.900     1.400     1.100 peak   298 weight  0.10000E+01 volume  0.16955E-03 ppm1      4.806 ppm2      8.655 CV     1
 ASSI {  300}
   (( segid W   and resid 487   and name HB2 ))
   (( segid W   and resid 488   and name HN ))
      3.700     1.200     1.200 peak   300 weight  0.10000E+01 volume  0.37370E-03 ppm1      3.614 ppm2      8.654 CV     1
 ASSI {  302}
   (( segid W   and resid 488   and name HG2 ))
   (( segid W   and resid 488   and name HN ))
      3.900     1.100     1.100 peak   302 weight  0.10000E+01 volume  0.82437E-03 ppm1      2.269 ppm2      8.653 CV     1
 ASSI {  303}
   (( segid W   and resid 488   and name HB1 ))
   (( segid W   and resid 488   and name HN ))
      3.200     0.900     0.900 peak   303 weight  0.10000E+01 volume  0.28051E-02 ppm1      2.035 ppm2      8.653 CV     1
 ASSI {  304}
   (( segid W   and resid 488   and name HB2 ))
   (( segid W   and resid 488   and name HN ))
      3.100     1.100     1.100 peak   304 weight  0.10000E+01 volume  0.84295E-03 ppm1      1.739 ppm2      8.653 CV     1
 ASSI {  306}
   (( segid W   and resid 492   and name HN ))
   (( segid W   and resid 491   and name HN ))
      2.700     0.900     0.900 peak   306 weight  0.10000E+01 volume  0.22216E-02 ppm1      7.311 ppm2      8.634 CV     1
 ASSI {  307}
   (( segid W   and resid 491   and name HA ))
   (( segid W   and resid 491   and name HN ))
      2.900     1.000     1.000 peak   307 weight  0.10000E+01 volume  0.15891E-02 ppm1      3.919 ppm2      8.632 CV     1
 ASSI {  308}
   (( segid W   and resid 462   and name HD1 ))
   (( segid W   and resid 491   and name HN ))
      5.000     1.600     1.000 peak   308 weight  0.10000E+01 volume  0.89379E-04 ppm1      3.302 ppm2      8.636 CV     1
 ASSI {  309}
   (( segid W   and resid 489   and name HB1 ))
   (( segid W   and resid 491   and name HN ))
      2.900     1.000     1.000 peak   309 weight  0.10000E+01 volume  0.16717E-02 ppm1      2.573 ppm2      8.636 CV     1
 ASSI {  310}
   (( segid W   and resid 489   and name HA ))
   (( segid W   and resid 491   and name HN ))
      4.000     1.100     1.100 peak   310 weight  0.10000E+01 volume  0.60241E-03 ppm1      2.889 ppm2      8.633 CV     1
 ASSI {  311}
   (( segid W   and resid 490   and name HD2 ))
   (( segid W   and resid 491   and name HN ))
      2.700     0.900     0.900 peak   311 weight  0.10000E+01 volume  0.20502E-02 ppm1      2.735 ppm2      8.634 CV     1
 OR {  311}
   (( segid W   and resid 490   and name HD1 ))
   (( segid W   and resid 491   and name HN ))
 ASSI {  312}
   (( segid W   and resid 489   and name HB2 ))
   (( segid W   and resid 491   and name HN ))
      4.500     1.300     1.300 peak   312 weight  0.10000E+01 volume  0.23908E-03 ppm1      2.244 ppm2      8.630 CV     1
 ASSI {  314}
   (( segid W   and resid 491   and name HB2 ))
   (( segid W   and resid 491   and name HN ))
      3.200     1.000     1.000 peak   314 weight  0.10000E+01 volume  0.18030E-02 ppm1      1.843 ppm2      8.634 CV     1
 ASSI {  315}
   (( segid W   and resid 491   and name HG1 ))
   (( segid W   and resid 491   and name HN ))
      2.800     0.900     0.900 peak   315 weight  0.10000E+01 volume  0.25002E-02 ppm1      1.730 ppm2      8.632 CV     1
 ASSI {  316}
   (( segid W   and resid 491   and name HB1 ))
   (( segid W   and resid 491   and name HN ))
      2.500     0.900     0.900 peak   316 weight  0.10000E+01 volume  0.32114E-02 ppm1      1.588 ppm2      8.634 CV     1
 ASSI {  317}
   (( segid W   and resid 491   and name HG2 ))
   (( segid W   and resid 491   and name HN ))
      2.400     0.900     0.900 peak   317 weight  0.10000E+01 volume  0.28961E-02 ppm1      1.162 ppm2      8.634 CV     1
 ASSI {  319}
   (( segid W   and resid 490   and name HG1 ))
   (( segid W   and resid 491   and name HN ))
      3.900     1.100     1.100 peak   319 weight  0.10000E+01 volume  0.94934E-03 ppm1      0.559 ppm2      8.634 CV     1
 ASSI {  320}
   (( segid W   and resid 490   and name HG2 ))
   (( segid W   and resid 491   and name HN ))
      3.500     1.300     1.300 peak   320 weight  0.10000E+01 volume  0.35700E-03 ppm1      0.091 ppm2      8.633 CV     1
 ASSI {  322}
   (( segid W   and resid 480   and name HN ))
   (( segid W   and resid 479   and name HN ))
      3.900     1.200     1.200 peak   322 weight  0.10000E+01 volume  0.56219E-03 ppm1      8.732 ppm2      8.488 CV     1
 ASSI {  325}
   (( segid W   and resid 484   and name HN ))
   (( segid W   and resid 479   and name HN ))
      3.300     1.100     1.100 peak   325 weight  0.10000E+01 volume  0.82766E-03 ppm1      7.229 ppm2      8.487 CV     1
 ASSI {  327}
   (( segid W   and resid 485   and name HA ))
   (( segid W   and resid 479   and name HN ))
      3.700     1.100     1.100 peak   327 weight  0.10000E+01 volume  0.10037E-02 ppm1      5.524 ppm2      8.488 CV     1
 ASSI {  328}
   (( segid W   and resid 478   and name HA ))
   (( segid W   and resid 479   and name HN ))
      2.200     0.800     0.800 peak   328 weight  0.10000E+01 volume  0.64043E-02 ppm1      4.338 ppm2      8.487 CV     1
 ASSI {  329}
   (( segid W   and resid 484   and name HB2 ))
   (( segid W   and resid 479   and name HN ))
      5.000     1.500     1.000 peak   329 weight  0.10000E+01 volume  0.11610E-03 ppm1      1.656 ppm2      8.480 CV     1
 ASSI {  331}
   (( segid W   and resid 478   and name HG12)) 
   (( segid W   and resid 479   and name HN ))
      3.700     1.200     1.200 peak   331 weight  0.10000E+01 volume  0.46027E-03 ppm1      1.340 ppm2      8.487 CV     1
 ASSI {  333}
   (( segid W   and resid 478   and name HG11)) 
   (( segid W   and resid 479   and name HN ))
      3.900     1.300     1.300 peak   333 weight  0.10000E+01 volume  0.31338E-03 ppm1      0.742 ppm2      8.487 CV     1
 ASSI {  337}
   (( segid W   and resid 475   and name HA ))
   (( segid W   and resid 475   and name HN ))
      3.100     1.000     1.000 peak   337 weight  0.10000E+01 volume  0.11312E-02 ppm1      4.822 ppm2      8.457 CV     1
 ASSI {  340}
   (( segid W   and resid 475   and name HB ))
   (( segid W   and resid 475   and name HN ))
      2.500     0.800     0.800 peak   340 weight  0.10000E+01 volume  0.45372E-02 ppm1      1.935 ppm2      8.456 CV     1
 ASSI {  341}
   (( segid W   and resid 474   and name HG2 ))
   (( segid W   and resid 475   and name HN ))
      3.900     1.100     1.100 peak   341 weight  0.10000E+01 volume  0.83960E-03 ppm1      1.612 ppm2      8.456 CV     1
 OR {  341}
   (( segid W   and resid 474   and name HG1 ))
   (( segid W   and resid 475   and name HN ))
 ASSI {  343}
   ( segid W   and resid 475   and name HG1%) 
   (( segid W   and resid 475   and name HN ))
      2.800     0.900     0.900 peak   343 weight  0.10000E+01 volume  0.21769E-02 ppm1      0.986 ppm2      8.457 CV     1
 ASSI {  344}
   ( segid W   and resid 475   and name HG2%) 
   (( segid W   and resid 475   and name HN ))
      4.000     1.100     1.100 peak   344 weight  0.10000E+01 volume  0.70180E-03 ppm1      0.719 ppm2      8.454 CV     1
 ASSI {  345}
   (( segid W   and resid 455   and name HA ))
   (( segid W   and resid 456   and name HN ))
      4.200     1.300     1.300 peak   345 weight  0.10000E+01 volume  0.23243E-03 ppm1      4.379 ppm2      8.485 CV     1
 ASSI {  348}
   (( segid W   and resid 476   and name HN ))
   (( segid W   and resid 468   and name HN ))
      3.400     1.100     1.100 peak   348 weight  0.10000E+01 volume  0.64906E-03 ppm1      8.986 ppm2      8.337 CV     1
 ASSI {  355}
   (( segid W   and resid 467   and name HA ))
   (( segid W   and resid 468   and name HN ))
      2.200     0.800     0.800 peak   355 weight  0.10000E+01 volume  0.73498E-02 ppm1      4.768 ppm2      8.337 CV     1
 ASSI {  357}
   (( segid W   and resid 488   and name HA ))
   (( segid W   and resid 489   and name HN ))
      2.300     0.700     0.700 peak   357 weight  0.10000E+01 volume  0.77788E-02 ppm1      4.168 ppm2      8.318 CV     1
 ASSI {  358}
   (( segid W   and resid 489   and name HA ))
   (( segid W   and resid 489   and name HN ))
      2.900     1.000     1.000 peak   358 weight  0.10000E+01 volume  0.16745E-02 ppm1      2.892 ppm2      8.317 CV     1
 ASSI {  360}
   (( segid W   and resid 467   and name HB2 ))
   (( segid W   and resid 468   and name HN ))
      3.000     0.900     0.900 peak   360 weight  0.10000E+01 volume  0.33039E-02 ppm1      1.858 ppm2      8.337 CV     1
 OR {  360}
   (( segid W   and resid 467   and name HB1 ))
   (( segid W   and resid 468   and name HN ))
 ASSI {  362}
   (( segid W   and resid 468   and name HG1 ))
   (( segid W   and resid 468   and name HN ))
      4.700     1.400     1.300 peak   362 weight  0.10000E+01 volume  0.21132E-03 ppm1      1.423 ppm2      8.341 CV     1
 ASSI {  364}
   (( segid W   and resid 468   and name HB2 ))
   (( segid W   and resid 468   and name HN ))
      3.000     1.000     1.000 peak   364 weight  0.10000E+01 volume  0.11641E-02 ppm1      0.936 ppm2      8.336 CV     1
 ASSI {  366}
   (( segid W   and resid 468   and name HB1 ))
   (( segid W   and resid 468   and name HN ))
      3.400     1.000     1.000 peak   366 weight  0.10000E+01 volume  0.18118E-02 ppm1      0.598 ppm2      8.337 CV     1
 ASSI {  372}
   (( segid W   and resid 488   and name HN ))
   (( segid W   and resid 486   and name HE21)) 
      3.300     1.100     1.100 peak   372 weight  0.10000E+01 volume  0.75519E-03 ppm1      8.666 ppm2      8.313 CV     1
 ASSI {  374}
   (( segid W   and resid 465   and name HZ3 ))
   (( segid W   and resid 486   and name HE21)) 
      4.200     1.300     1.300 peak   374 weight  0.10000E+01 volume  0.33654E-03 ppm1      6.789 ppm2      8.324 CV     1
 ASSI {  375}
   (( segid W   and resid 490   and name HA ))
   (( segid W   and resid 486   and name HE21)) 
      5.100     1.400     0.900 peak   375 weight  0.10000E+01 volume  0.19001E-03 ppm1      4.002 ppm2      8.311 CV     1
 ASSI {  377}
   (( segid W   and resid 488   and name HB1 ))
   (( segid W   and resid 486   and name HE21)) 
      3.100     1.000     1.000 peak   377 weight  0.10000E+01 volume  0.12807E-02 ppm1      2.034 ppm2      8.313 CV     1
 ASSI {  378}
   (( segid W   and resid 488   and name HB2 ))
   (( segid W   and resid 486   and name HE21)) 
      3.900     1.200     1.200 peak   378 weight  0.10000E+01 volume  0.42653E-03 ppm1      1.746 ppm2      8.310 CV     1
 ASSI {  384}
   (( segid W   and resid 496   and name HA ))
   (( segid W   and resid 496   and name HN ))
      3.500     1.200     1.200 peak   384 weight  0.10000E+01 volume  0.58321E-03 ppm1      4.353 ppm2      8.289 CV     1
 ASSI {  385}
   (( segid W   and resid 495   and name HA ))
   (( segid W   and resid 496   and name HN ))
      3.000     1.000     1.000 peak   385 weight  0.10000E+01 volume  0.14443E-02 ppm1      4.094 ppm2      8.288 CV     1
 ASSI {  386}
   (( segid W   and resid 495   and name HB ))
   (( segid W   and resid 496   and name HN ))
      4.300     1.300     1.300 peak   386 weight  0.10000E+01 volume  0.29510E-03 ppm1      2.064 ppm2      8.296 CV     1
 ASSI {  387}
   ( segid W   and resid 496   and name HB% )
   (( segid W   and resid 496   and name HN ))
      3.600     1.100     1.100 peak   387 weight  0.10000E+01 volume  0.60198E-03 ppm1      1.367 ppm2      8.285 CV     1
 ASSI {  388}
   ( segid W   and resid 495   and name HG2%) 
   (( segid W   and resid 496   and name HN ))
      4.700     1.500     1.300 peak   388 weight  0.10000E+01 volume  0.14188E-03 ppm1      0.906 ppm2      8.287 CV     1
 OR {  388}
   ( segid W   and resid 495   and name HG1%) 
   (( segid W   and resid 496   and name HN ))
 ASSI {  393}
   (( segid W   and resid 469   and name HA ))
   (( segid W   and resid 469   and name HN ))
      2.500     0.800     0.800 peak   393 weight  0.10000E+01 volume  0.41696E-02 ppm1      4.724 ppm2      8.222 CV     1
 ASSI {  394}
   (( segid W   and resid 468   and name HA ))
   (( segid W   and resid 469   and name HN ))
      2.400     0.800     0.800 peak   394 weight  0.10000E+01 volume  0.52790E-02 ppm1      4.394 ppm2      8.225 CV     1
 ASSI {  395}
   (( segid W   and resid 469   and name HB ))
   (( segid W   and resid 469   and name HN ))
      2.900     0.900     0.900 peak   395 weight  0.10000E+01 volume  0.26297E-02 ppm1      3.960 ppm2      8.226 CV     1
 ASSI {  396}
   (( segid W   and resid 468   and name HD2 ))
   (( segid W   and resid 469   and name HN ))
      4.800     1.400     1.200 peak   396 weight  0.10000E+01 volume  0.16283E-03 ppm1      3.241 ppm2      8.223 CV     1
 ASSI {  398}
   (( segid W   and resid 468   and name HG1 ))
   (( segid W   and resid 469   and name HN ))
      4.600     1.200     1.200 peak   398 weight  0.10000E+01 volume  0.40591E-03 ppm1      1.424 ppm2      8.226 CV     1
 ASSI {  399}
   (( segid W   and resid 468   and name HG2 ))
   (( segid W   and resid 469   and name HN ))
      3.600     1.000     1.000 peak   399 weight  0.10000E+01 volume  0.13205E-02 ppm1      1.261 ppm2      8.225 CV     1
 ASSI {  400}
   (( segid W   and resid 468   and name HB2 ))
   (( segid W   and resid 469   and name HN ))
      3.300     0.900     0.900 peak   400 weight  0.10000E+01 volume  0.21605E-02 ppm1      0.939 ppm2      8.225 CV     1
 ASSI {  401}
   (( segid W   and resid 468   and name HB1 ))
   (( segid W   and resid 469   and name HN ))
      3.500     1.200     1.200 peak   401 weight  0.10000E+01 volume  0.52956E-03 ppm1      0.601 ppm2      8.225 CV     1
 ASSI {  403}
   (( segid W   and resid 474   and name HG1 ))
   (( segid W   and resid 474   and name HN ))
      2.400     0.800     0.800 peak   403 weight  0.10000E+01 volume  0.60913E-02 ppm1      1.609 ppm2      8.213 CV     1
 OR {  403}
   (( segid W   and resid 474   and name HG2 ))
   (( segid W   and resid 474   and name HN ))
 ASSI {  404}
   (( segid W   and resid 474   and name HB2 ))
   (( segid W   and resid 474   and name HN ))
      2.900     1.000     1.000 peak   404 weight  0.10000E+01 volume  0.12953E-02 ppm1      1.901 ppm2      8.212 CV     1
 ASSI {  405}
   (( segid W   and resid 474   and name HB1 ))
   (( segid W   and resid 474   and name HN ))
      3.100     0.900     0.900 peak   405 weight  0.10000E+01 volume  0.33365E-02 ppm1      2.132 ppm2      8.213 CV     1
 ASSI {  408}
   (( segid W   and resid 470   and name HB2 ))
   (( segid W   and resid 474   and name HN ))
      3.700     1.000     1.000 peak   408 weight  0.10000E+01 volume  0.11877E-02 ppm1      3.948 ppm2      8.214 CV     1
 ASSI {  409}
   (( segid W   and resid 474   and name HA ))
   (( segid W   and resid 474   and name HN ))
      2.700     0.900     0.900 peak   409 weight  0.10000E+01 volume  0.28509E-02 ppm1      4.429 ppm2      8.213 CV     1
 ASSI {  411}
   (( segid W   and resid 470   and name HN ))
   (( segid W   and resid 474   and name HN ))
      4.000     1.300     1.300 peak   411 weight  0.10000E+01 volume  0.31699E-03 ppm1      9.813 ppm2      8.208 CV     1
 ASSI {  412}
   (( segid W   and resid 475   and name HN ))
   (( segid W   and resid 474   and name HN ))
      3.600     1.000     1.000 peak   412 weight  0.10000E+01 volume  0.10286E-02 ppm1      8.459 ppm2      8.216 CV     1
 ASSI {  420}
   (( segid W   and resid 498   and name HA ))
   (( segid W   and resid 498   and name HN ))
      3.600     1.200     1.200 peak   420 weight  0.10000E+01 volume  0.49919E-03 ppm1      4.384 ppm2      8.144 CV     1
 ASSI {  421}
   (( segid W   and resid 497   and name HA ))
   (( segid W   and resid 498   and name HN ))
      3.800     1.200     1.200 peak   421 weight  0.10000E+01 volume  0.42697E-03 ppm1      4.248 ppm2      8.141 CV     1
 ASSI {  425}
   (( segid W   and resid 497   and name HA ))
   (( segid W   and resid 497   and name HN ))
      3.200     1.000     1.000 peak   425 weight  0.10000E+01 volume  0.11245E-02 ppm1      4.258 ppm2      8.130 CV     1
 ASSI {  426}
   (( segid W   and resid 497   and name HB ))
   (( segid W   and resid 497   and name HN ))
      4.400     1.400     1.400 peak   426 weight  0.10000E+01 volume  0.20034E-03 ppm1      1.915 ppm2      8.131 CV     1
 ASSI {  429}
   (( segid W   and resid 480   and name HN ))
   (( segid W   and resid 481   and name HN ))
      3.000     1.000     1.000 peak   429 weight  0.10000E+01 volume  0.13405E-02 ppm1      8.726 ppm2      8.043 CV     1
 ASSI {  435}
   (( segid W   and resid 482   and name HN ))
   (( segid W   and resid 481   and name HN ))
      2.700     0.900     0.900 peak   435 weight  0.10000E+01 volume  0.25080E-02 ppm1      6.283 ppm2      8.044 CV     1
 ASSI {  438}
   (( segid W   and resid 481   and name HA ))
   (( segid W   and resid 481   and name HN ))
      2.900     0.900     0.900 peak   438 weight  0.10000E+01 volume  0.19239E-02 ppm1      4.377 ppm2      8.045 CV     1
 ASSI {  439}
   (( segid W   and resid 479   and name HA ))
   (( segid W   and resid 481   and name HN ))
      4.000     1.200     1.200 peak   439 weight  0.10000E+01 volume  0.55790E-03 ppm1      3.950 ppm2      8.047 CV     1
 ASSI {  441}
   (( segid W   and resid 480   and name HB1 ))
   (( segid W   and resid 481   and name HN ))
      3.500     1.100     1.100 peak   441 weight  0.10000E+01 volume  0.87926E-03 ppm1      3.209 ppm2      8.040 CV     1
 ASSI {  442}
   (( segid W   and resid 481   and name HB1 ))
   (( segid W   and resid 481   and name HN ))
      3.000     0.900     0.900 peak   442 weight  0.10000E+01 volume  0.27281E-02 ppm1      2.953 ppm2      8.045 CV     1
 ASSI {  443}
   (( segid W   and resid 481   and name HB2 ))
   (( segid W   and resid 481   and name HN ))
      3.300     1.100     1.100 peak   443 weight  0.10000E+01 volume  0.73994E-03 ppm1      2.718 ppm2      8.044 CV     1
 ASSI {  448}
   (( segid B   and resid 617   and name HD21)) 
   (( segid W   and resid 485   and name HN ))
      3.800     1.200     1.200 peak   448 weight  0.10000E+01 volume  0.37265E-03 ppm1      7.023 ppm2      7.987 CV     1
 ASSI {  449}
   (( segid W   and resid 485   and name HA ))
   (( segid W   and resid 485   and name HN ))
      3.000     1.000     1.000 peak   449 weight  0.10000E+01 volume  0.12368E-02 ppm1      5.521 ppm2      7.989 CV     1
 ASSI {  450}
   (( segid W   and resid 484   and name HA ))
   (( segid W   and resid 485   and name HN ))
      2.300     0.800     0.800 peak   450 weight  0.10000E+01 volume  0.61571E-02 ppm1      4.885 ppm2      7.991 CV     1
 ASSI {  453}
   (( segid W   and resid 485   and name HB ))
   (( segid W   and resid 485   and name HN ))
      3.800     1.200     1.200 peak   453 weight  0.10000E+01 volume  0.37711E-03 ppm1      4.041 ppm2      7.988 CV     1
 ASSI {  454}
   (( segid W   and resid 484   and name HE1 ))
   (( segid W   and resid 485   and name HN ))
      4.700     1.400     1.300 peak   454 weight  0.10000E+01 volume  0.17114E-03 ppm1      3.021 ppm2      7.981 CV     1
 OR {  454}
   (( segid W   and resid 484   and name HE2 ))
   (( segid W   and resid 485   and name HN ))
 ASSI {  456}
   (( segid W   and resid 484   and name HB2 ))
   (( segid W   and resid 485   and name HN ))
      3.500     1.000     1.000 peak   456 weight  0.10000E+01 volume  0.14691E-02 ppm1      1.658 ppm2      7.991 CV     1
 ASSI {  458}
   (( segid W   and resid 484   and name HG2 ))
   (( segid W   and resid 485   and name HN ))
      3.200     1.000     1.000 peak   458 weight  0.10000E+01 volume  0.11244E-02 ppm1      1.385 ppm2      7.990 CV     1
 OR {  458}
   (( segid W   and resid 484   and name HG1 ))
   (( segid W   and resid 485   and name HN ))
 ASSI {  460}
   ( segid W   and resid 485   and name HG2%) 
   (( segid W   and resid 485   and name HN ))
      3.000     1.000     1.000 peak   460 weight  0.10000E+01 volume  0.12804E-02 ppm1      1.202 ppm2      7.991 CV     1
 ASSI {  468}
   (( segid W   and resid 495   and name HB ))
   (( segid W   and resid 495   and name HN ))
      3.800     1.200     1.200 peak   468 weight  0.10000E+01 volume  0.52370E-03 ppm1      2.072 ppm2      7.921 CV     1
 ASSI {  469}
   ( segid W   and resid 495   and name HG1%) 
   (( segid W   and resid 495   and name HN ))
      3.700     1.200     1.200 peak   469 weight  0.10000E+01 volume  0.51544E-03 ppm1      0.906 ppm2      7.926 CV     1
 OR {  469}
   ( segid W   and resid 495   and name HG2%) 
   (( segid W   and resid 495   and name HN ))
 ASSI {  472}
   (( segid W   and resid 499   and name HA1 ))
   (( segid W   and resid 499   and name HN ))
      3.300     1.100     1.100 peak   472 weight  0.10000E+01 volume  0.90403E-03 ppm1      3.782 ppm2      7.927 CV     1
 OR {  472}
   (( segid W   and resid 499   and name HA2 ))
   (( segid W   and resid 499   and name HN ))
 ASSI {  473}
   (( segid W   and resid 480   and name HN ))
   (( segid W   and resid 465   and name HN ))
      3.600     1.100     1.100 peak   473 weight  0.10000E+01 volume  0.64369E-03 ppm1      8.729 ppm2      7.770 CV     1
 ASSI {  476}
   (( segid W   and resid 465   and name HD1 ))
   (( segid W   and resid 465   and name HN ))
      3.000     1.000     1.000 peak   476 weight  0.10000E+01 volume  0.13196E-02 ppm1      7.091 ppm2      7.767 CV     1
 ASSI {  478}
   (( segid W   and resid 479   and name HA ))
   (( segid W   and resid 465   and name HN ))
      5.300     1.500     0.700 peak   478 weight  0.10000E+01 volume  0.10384E-03 ppm1      3.961 ppm2      7.771 CV     1
 ASSI {  482}
   (( segid W   and resid 492   and name HA ))
   (( segid W   and resid 493   and name HN ))
      3.100     1.000     1.000 peak   482 weight  0.10000E+01 volume  0.15086E-02 ppm1      4.394 ppm2      7.611 CV     1
 ASSI {  484}
   (( segid W   and resid 490   and name HA ))
   (( segid W   and resid 493   and name HN ))
      4.100     1.300     1.300 peak   484 weight  0.10000E+01 volume  0.25004E-03 ppm1      3.993 ppm2      7.611 CV     1
 ASSI {  485}
   (( segid W   and resid 489   and name HB1 ))
   (( segid W   and resid 493   and name HN ))
      6.000     1.900     0.000 peak   485 weight  0.10000E+01 volume  0.28973E-04 ppm1      2.574 ppm2      7.614 CV     1
 ASSI {  486}
   (( segid W   and resid 492   and name HG1 ))
   (( segid W   and resid 493   and name HN ))
      5.100     1.500     0.900 peak   486 weight  0.10000E+01 volume  0.12107E-03 ppm1      2.452 ppm2      7.615 CV     1
 ASSI {  488}
   (( segid W   and resid 493   and name HB2 ))
   (( segid W   and resid 493   and name HN ))
      2.900     1.000     1.000 peak   488 weight  0.10000E+01 volume  0.14415E-02 ppm1      2.006 ppm2      7.609 CV     1
 ASSI {  489}
   (( segid W   and resid 493   and name HB1 ))
   (( segid W   and resid 493   and name HN ))
      3.400     1.000     1.000 peak   489 weight  0.10000E+01 volume  0.14266E-02 ppm1      1.890 ppm2      7.609 CV     1
 ASSI {  491}
   (( segid W   and resid 494   and name HD21)) 
   (( segid W   and resid 494   and name HD22)) 
      1.900     0.700     0.700 peak   491 weight  0.10000E+01 volume  0.16564E-01 ppm1      6.847 ppm2      7.550 CV     1
 ASSI {  493}
   (( segid W   and resid 494   and name HB2 ))
   (( segid W   and resid 494   and name HD22)) 
      4.500     1.500     1.500 peak   493 weight  0.10000E+01 volume  0.13626E-03 ppm1      2.706 ppm2      7.551 CV     1
 ASSI {  505}
   (( segid W   and resid 464   and name HA1 ))
   (( segid W   and resid 481   and name HD21)) 
      3.700     1.100     1.100 peak   505 weight  0.10000E+01 volume  0.84567E-03 ppm1      4.287 ppm2      7.486 CV     1
 ASSI {  506}
   (( segid W   and resid 464   and name HA1 ))
   (( segid W   and resid 481   and name HD22)) 
      3.900     1.300     1.300 peak   506 weight  0.10000E+01 volume  0.23766E-03 ppm1      4.298 ppm2      7.409 CV     1
 ASSI {  507}
   (( segid W   and resid 464   and name HA2 ))
   (( segid W   and resid 481   and name HD21)) 
      4.700     1.300     1.300 peak   507 weight  0.10000E+01 volume  0.32675E-03 ppm1      3.791 ppm2      7.482 CV     1
 ASSI {  510}
   (( segid W   and resid 470   and name HN ))
   (( segid W   and resid 472   and name HN ))
      4.600     1.400     1.400 peak   510 weight  0.10000E+01 volume  0.20392E-03 ppm1      9.814 ppm2      7.448 CV     1
 ASSI {  511}
   (( segid W   and resid 474   and name HN ))
   (( segid W   and resid 472   and name HN ))
      3.100     1.000     1.000 peak   511 weight  0.10000E+01 volume  0.17673E-02 ppm1      8.194 ppm2      7.457 CV     1
 ASSI {  512}
   (( segid W   and resid 473   and name HN ))
   (( segid W   and resid 472   and name HN ))
      2.700     0.900     0.900 peak   512 weight  0.10000E+01 volume  0.22946E-02 ppm1      8.121 ppm2      7.457 CV     1
 ASSI {  516}
   (( segid W   and resid 487   and name HZ2 ))
   (( segid W   and resid 472   and name HN ))
      4.600     1.200     1.200 peak   516 weight  0.10000E+01 volume  0.36244E-03 ppm1      7.087 ppm2      7.455 CV     1
 ASSI {  519}
   (( segid W   and resid 471   and name HB ))
   (( segid W   and resid 472   and name HN ))
      3.100     1.000     1.000 peak   519 weight  0.10000E+01 volume  0.10892E-02 ppm1      4.044 ppm2      7.453 CV     1
 ASSI {  522}
   (( segid W   and resid 472   and name HB1 ))
   (( segid W   and resid 472   and name HN ))
      4.200     1.200     1.200 peak   522 weight  0.10000E+01 volume  0.56894E-03 ppm1      3.084 ppm2      7.457 CV     1
 ASSI {  523}
   (( segid W   and resid 472   and name HB2 ))
   (( segid W   and resid 472   and name HN ))
      3.000     1.000     1.000 peak   523 weight  0.10000E+01 volume  0.12934E-02 ppm1      2.532 ppm2      7.456 CV     1
 ASSI {  525}
   ( segid W   and resid 471   and name HG2%) 
   (( segid W   and resid 472   and name HN ))
      4.200     1.300     1.300 peak   525 weight  0.10000E+01 volume  0.31350E-03 ppm1      1.205 ppm2      7.457 CV     1
 ASSI {  531}
   (( segid W   and resid 492   and name HB1 ))
   (( segid W   and resid 493   and name HE21)) 
      4.800     1.600     1.200 peak   531 weight  0.10000E+01 volume  0.81799E-04 ppm1      1.937 ppm2      7.458 CV     1
 ASSI {  534}
   (( segid W   and resid 493   and name HN ))
   (( segid W   and resid 492   and name HN ))
      2.900     1.000     1.000 peak   534 weight  0.10000E+01 volume  0.15570E-02 ppm1      7.619 ppm2      7.308 CV     1
 ASSI {  538}
   (( segid W   and resid 492   and name HA ))
   (( segid W   and resid 492   and name HN ))
      3.000     1.000     1.000 peak   538 weight  0.10000E+01 volume  0.13795E-02 ppm1      4.395 ppm2      7.305 CV     1
 ASSI {  539}
   (( segid W   and resid 490   and name HA ))
   (( segid W   and resid 492   and name HN ))
      3.400     1.100     1.100 peak   539 weight  0.10000E+01 volume  0.71890E-03 ppm1      3.998 ppm2      7.304 CV     1
 ASSI {  540}
   (( segid W   and resid 491   and name HA ))
   (( segid W   and resid 492   and name HN ))
      3.200     1.100     1.100 peak   540 weight  0.10000E+01 volume  0.96149E-03 ppm1      3.919 ppm2      7.312 CV     1
 ASSI {  544}
   (( segid W   and resid 492   and name HG2 ))
   (( segid W   and resid 492   and name HN ))
      3.700     1.000     1.000 peak   544 weight  0.10000E+01 volume  0.10909E-02 ppm1      2.378 ppm2      7.311 CV     1
 ASSI {  545}
   (( segid W   and resid 492   and name HB2 ))
   (( segid W   and resid 492   and name HN ))
      3.100     1.100     1.100 peak   545 weight  0.10000E+01 volume  0.87146E-03 ppm1      2.151 ppm2      7.312 CV     1
 ASSI {  546}
   (( segid W   and resid 492   and name HB1 ))
   (( segid W   and resid 492   and name HN ))
      3.000     0.900     0.900 peak   546 weight  0.10000E+01 volume  0.29820E-02 ppm1      1.926 ppm2      7.310 CV     1
 ASSI {  547}
   (( segid W   and resid 491   and name HB1 ))
   (( segid W   and resid 492   and name HN ))
      3.800     1.100     1.100 peak   547 weight  0.10000E+01 volume  0.60257E-03 ppm1      1.586 ppm2      7.307 CV     1
 ASSI {  553}
   (( segid W   and resid 474   and name HB1 ))
   (( segid W   and resid 474   and name HE ))
      4.700     1.300     1.300 peak   553 weight  0.10000E+01 volume  0.23644E-03 ppm1      2.114 ppm2      7.285 CV     1
 ASSI {  559}
   (( segid W   and resid 482   and name HN ))
   (( segid W   and resid 484   and name HN ))
      3.500     1.100     1.100 peak   559 weight  0.10000E+01 volume  0.68665E-03 ppm1      6.282 ppm2      7.232 CV     1
 ASSI {  560}
   (( segid W   and resid 484   and name HA ))
   (( segid W   and resid 484   and name HN ))
      3.000     1.000     1.000 peak   560 weight  0.10000E+01 volume  0.14839E-02 ppm1      4.889 ppm2      7.231 CV     1
 ASSI {  563}
   (( segid B   and resid 618   and name HB2 ))
   (( segid W   and resid 484   and name HN ))
      4.200     1.400     1.400 peak   563 weight  0.10000E+01 volume  0.22659E-03 ppm1      2.841 ppm2      7.232 CV     1
 ASSI {  564}
   (( segid W   and resid 483   and name HA ))
   (( segid W   and resid 484   and name HN ))
      2.600     0.900     0.900 peak   564 weight  0.10000E+01 volume  0.29945E-02 ppm1      2.314 ppm2      7.233 CV     1
 ASSI {  567}
   (( segid W   and resid 484   and name HB2 ))
   (( segid W   and resid 484   and name HN ))
      3.300     1.100     1.100 peak   567 weight  0.10000E+01 volume  0.76013E-03 ppm1      1.651 ppm2      7.234 CV     1
 ASSI {  568}
   (( segid W   and resid 484   and name HG2 ))
   (( segid W   and resid 484   and name HN ))
      3.600     1.100     1.100 peak   568 weight  0.10000E+01 volume  0.98836E-03 ppm1      1.397 ppm2      7.235 CV     1
 OR {  568}
   (( segid W   and resid 484   and name HG1 ))
   (( segid W   and resid 484   and name HN ))
 ASSI {  574}
   (( segid W   and resid 479   and name HB1 ))
   (( segid W   and resid 484   and name HN ))
      4.100     1.300     1.300 peak   574 weight  0.10000E+01 volume  0.29390E-03 ppm1      0.113 ppm2      7.232 CV     1
 ASSI {  576}
   (( segid W   and resid 481   and name HD21)) 
   (( segid W   and resid 479   and name HD21)) 
      3.100     1.100     1.100 peak   576 weight  0.10000E+01 volume  0.73195E-03 ppm1      7.471 ppm2      7.211 CV     1
 ASSI {  578}
   (( segid W   and resid 479   and name HD22)) 
   (( segid W   and resid 479   and name HD21)) 
      1.800     0.700     0.700 peak   578 weight  0.10000E+01 volume  0.17545E-01 ppm1      6.234 ppm2      7.212 CV     1
 ASSI {  582}
   (( segid W   and resid 481   and name HB1 ))
   (( segid W   and resid 479   and name HD21)) 
      4.600     1.200     1.200 peak   582 weight  0.10000E+01 volume  0.38943E-03 ppm1      2.957 ppm2      7.208 CV     1
 ASSI {  585}
   (( segid W   and resid 482   and name HG12)) 
   (( segid W   and resid 479   and name HD21)) 
      3.300     1.000     1.000 peak   585 weight  0.10000E+01 volume  0.17304E-02 ppm1      0.728 ppm2      7.211 CV     1
 OR {  585}
   ( segid W   and resid 482   and name HD1%) 
   (( segid W   and resid 479   and name HD21)) 
 ASSI {  586}
   (( segid W   and resid 465   and name HE1 ))
   (( segid W   and resid 479   and name HD21)) 
      4.400     1.400     1.400 peak   586 weight  0.10000E+01 volume  0.15276E-03 ppm1     10.543 ppm2      7.213 CV     1
 ASSI {  591}
   (( segid W   and resid 468   and name HG1 ))
   (( segid W   and resid 468   and name HE ))
      4.400     1.300     1.300 peak   591 weight  0.10000E+01 volume  0.31526E-03 ppm1      1.429 ppm2      7.202 CV     1
 ASSI {  594}
   (( segid W   and resid 480   and name HN ))
   (( segid W   and resid 483   and name HN ))
      4.600     1.500     1.400 peak   594 weight  0.10000E+01 volume  0.14651E-03 ppm1      8.734 ppm2      7.154 CV     1
 ASSI {  597}
   (( segid W   and resid 482   and name HN ))
   (( segid W   and resid 483   and name HN ))
      2.300     0.800     0.800 peak   597 weight  0.10000E+01 volume  0.51342E-02 ppm1      6.282 ppm2      7.158 CV     1
 ASSI {  599}
   (( segid W   and resid 482   and name HA ))
   (( segid W   and resid 483   and name HN ))
      3.300     1.100     1.100 peak   599 weight  0.10000E+01 volume  0.79865E-03 ppm1      4.358 ppm2      7.158 CV     1
 ASSI {  602}
   (( segid W   and resid 483   and name HA ))
   (( segid W   and resid 483   and name HN ))
      2.300     0.800     0.800 peak   602 weight  0.10000E+01 volume  0.55299E-02 ppm1      2.314 ppm2      7.158 CV     1
 ASSI {  604}
   (( segid W   and resid 483   and name HB1 ))
   (( segid W   and resid 483   and name HN ))
      3.900     1.100     1.100 peak   604 weight  0.10000E+01 volume  0.61081E-03 ppm1      1.846 ppm2      7.156 CV     1
 ASSI {  608}
   (( segid W   and resid 488   and name HN ))
   (( segid W   and resid 486   and name HE22)) 
      4.400     1.300     1.300 peak   608 weight  0.10000E+01 volume  0.24606E-03 ppm1      8.670 ppm2      7.139 CV     1
 ASSI {  611}
   (( segid W   and resid 465   and name HZ2 ))
   (( segid W   and resid 486   and name HE22)) 
      4.100     1.200     1.200 peak   611 weight  0.10000E+01 volume  0.39557E-03 ppm1      7.499 ppm2      7.127 CV     1
 ASSI {  618}
   (( segid W   and resid 488   and name HB1 ))
   (( segid W   and resid 486   and name HE22)) 
      3.300     1.100     1.100 peak   618 weight  0.10000E+01 volume  0.66935E-03 ppm1      2.032 ppm2      7.129 CV     1
 ASSI {  619}
   (( segid W   and resid 488   and name HB2 ))
   (( segid W   and resid 486   and name HE22)) 
      4.500     1.300     1.300 peak   619 weight  0.10000E+01 volume  0.23540E-03 ppm1      1.753 ppm2      7.127 CV     1
 ASSI {  622}
   (( segid W   and resid 472   and name HN ))
   (( segid W   and resid 471   and name HN ))
      3.400     1.200     1.200 peak   622 weight  0.10000E+01 volume  0.58703E-03 ppm1      7.447 ppm2      6.924 CV     1
 ASSI {  625}
   (( segid W   and resid 470   and name HA ))
   (( segid W   and resid 471   and name HN ))
      2.800     0.900     0.900 peak   625 weight  0.10000E+01 volume  0.22869E-02 ppm1      5.255 ppm2      6.927 CV     1
 ASSI {  627}
   (( segid W   and resid 471   and name HB ))
   (( segid W   and resid 471   and name HN ))
      3.500     1.100     1.100 peak   627 weight  0.10000E+01 volume  0.63488E-03 ppm1      4.049 ppm2      6.930 CV     1
 ASSI {  628}
   (( segid W   and resid 471   and name HA ))
   (( segid W   and resid 471   and name HN ))
      3.200     1.000     1.000 peak   628 weight  0.10000E+01 volume  0.11370E-02 ppm1      3.915 ppm2      6.925 CV     1
 ASSI {  629}
   (( segid W   and resid 470   and name HB1 ))
   (( segid W   and resid 471   and name HN ))
      3.900     1.300     1.300 peak   629 weight  0.10000E+01 volume  0.32419E-03 ppm1      3.360 ppm2      6.934 CV     1
 ASSI {  645}
   (( segid W   and resid 481   and name HB1 ))
   (( segid W   and resid 482   and name HN ))
      3.600     1.000     1.000 peak   645 weight  0.10000E+01 volume  0.14913E-02 ppm1      2.950 ppm2      6.285 CV     1
 ASSI {  648}
   (( segid W   and resid 479   and name HB2 ))
   (( segid W   and resid 482   and name HN ))
      4.100     1.300     1.300 peak   648 weight  0.10000E+01 volume  0.24932E-03 ppm1      2.074 ppm2      6.277 CV     1
 ASSI {  649}
   (( segid W   and resid 482   and name HB ))
   (( segid W   and resid 482   and name HN ))
      3.900     1.200     1.200 peak   649 weight  0.10000E+01 volume  0.44020E-03 ppm1      1.924 ppm2      6.291 CV     1
 ASSI {  651}
   (( segid W   and resid 482   and name HG11)) 
   (( segid W   and resid 482   and name HN ))
      3.500     1.100     1.100 peak   651 weight  0.10000E+01 volume  0.86811E-03 ppm1      0.938 ppm2      6.284 CV     1
 ASSI {  652}
   (( segid W   and resid 482   and name HG12)) 
   (( segid W   and resid 482   and name HN ))
      2.400     0.800     0.800 peak   652 weight  0.10000E+01 volume  0.41470E-02 ppm1      0.722 ppm2      6.286 CV     1
 ASSI {  653}
   (( segid W   and resid 481   and name HD21)) 
   (( segid W   and resid 479   and name HD22)) 
      3.800     1.100     1.100 peak   653 weight  0.10000E+01 volume  0.91706E-03 ppm1      7.478 ppm2      6.232 CV     1
 ASSI {  657}
   (( segid W   and resid 482   and name HG12)) 
   (( segid W   and resid 479   and name HD22)) 
      3.000     1.000     1.000 peak   657 weight  0.10000E+01 volume  0.10969E-02 ppm1      0.730 ppm2      6.234 CV     1
 OR {  657}
   ( segid W   and resid 482   and name HD1%) 
   (( segid W   and resid 479   and name HD22)) 
 ASSI {  664}
   (( segid W   and resid 482   and name HG12)) 
   (( segid W   and resid 481   and name HN ))
      4.100     1.200     1.200 peak   664 weight  0.10000E+01 volume  0.43066E-03 ppm1      0.724 ppm2      8.045 CV     1
 OR {  664}
   ( segid W   and resid 482   and name HG2%) 
   (( segid W   and resid 481   and name HN ))
 ASSI {  666}
   (( segid W   and resid 479   and name HB1 ))
   (( segid W   and resid 481   and name HN ))
      6.000     1.700     0.000 peak   666 weight  0.10000E+01 volume  0.63675E-04 ppm1      0.092 ppm2      8.051 CV     1
 ASSI {  669}
   (( segid W   and resid 465   and name HE3 ))
   (( segid W   and resid 479   and name HA ))
      4.200     1.400     1.400 peak   669 weight  0.10000E+01 volume  0.19816E-03 ppm1      7.460 ppm2      3.951 CV     1
 ASSI {  670}
   (( segid W   and resid 465   and name HA ))
   (( segid W   and resid 479   and name HA ))
      2.500     0.900     0.900 peak   670 weight  0.10000E+01 volume  0.30240E-02 ppm1      6.066 ppm2      3.960 CV     1
 ASSI {  671}
   (( segid W   and resid 479   and name HB1 ))
   (( segid W   and resid 479   and name HA ))
      2.500     0.900     0.900 peak   671 weight  0.10000E+01 volume  0.35186E-02 ppm1      0.111 ppm2      3.959 CV     1
 ASSI {  672}
   (( segid W   and resid 479   and name HN ))
   (( segid W   and resid 479   and name HB2 ))
      3.200     1.000     1.000 peak   672 weight  0.10000E+01 volume  0.18038E-02 ppm1      8.479 ppm2      2.076 CV     1
 ASSI {  674}
   (( segid W   and resid 465   and name HZ3 ))
   (( segid W   and resid 479   and name HB2 ))
      6.000     1.700     0.000 peak   674 weight  0.10000E+01 volume  0.49621E-04 ppm1      6.792 ppm2      2.072 CV     1
 ASSI {  675}
   (( segid W   and resid 479   and name HD22)) 
   (( segid W   and resid 479   and name HB2 ))
      3.600     1.000     1.000 peak   675 weight  0.10000E+01 volume  0.13326E-02 ppm1      6.236 ppm2      2.086 CV     1
 ASSI {  676}
   (( segid W   and resid 479   and name HA ))
   (( segid W   and resid 479   and name HB2 ))
      3.100     1.100     1.100 peak   676 weight  0.10000E+01 volume  0.84821E-03 ppm1      3.952 ppm2      2.084 CV     1
 ASSI {  678}
   (( segid W   and resid 479   and name HB1 ))
   (( segid W   and resid 479   and name HB2 ))
      1.700     0.600     0.600 peak   678 weight  0.10000E+01 volume  0.20673E-01 ppm1      0.111 ppm2      2.082 CV     1
 ASSI {  681}
   (( segid W   and resid 479   and name HD21)) 
   (( segid W   and resid 479   and name HB1 ))
      3.100     1.000     1.000 peak   681 weight  0.10000E+01 volume  0.11715E-02 ppm1      7.214 ppm2      0.113 CV     1
 ASSI {  682}
   (( segid W   and resid 479   and name HD22)) 
   (( segid W   and resid 479   and name HB1 ))
      3.400     1.000     1.000 peak   682 weight  0.10000E+01 volume  0.15056E-02 ppm1      6.240 ppm2      0.110 CV     1
 ASSI {  688}
   (( segid W   and resid 479   and name HD21)) 
   (( segid W   and resid 479   and name HB2 ))
      2.900     1.000     1.000 peak   688 weight  0.10000E+01 volume  0.11477E-02 ppm1      7.217 ppm2      2.076 CV     1
 ASSI {  691}
   (( segid W   and resid 463   and name HG2 ))
   (( segid W   and resid 463   and name HD2 ))
      2.400     0.800     0.800 peak   691 weight  0.10000E+01 volume  0.42631E-02 ppm1      2.105 ppm2      3.932 CV     1
 ASSI {  696}
   (( segid W   and resid 465   and name HZ3 ))
   (( segid W   and resid 486   and name HG1 ))
      4.100     1.300     1.300 peak   696 weight  0.10000E+01 volume  0.30130E-03 ppm1      6.796 ppm2      2.915 CV     1
 ASSI {  697}
   (( segid W   and resid 486   and name HA ))
   (( segid W   and resid 486   and name HG1 ))
      3.500     1.100     1.100 peak   697 weight  0.10000E+01 volume  0.67028E-03 ppm1      4.812 ppm2      2.927 CV     1
 ASSI {  700}
   (( segid W   and resid 486   and name HG2 ))
   (( segid W   and resid 486   and name HG1 ))
      1.700     0.600     0.600 peak   700 weight  0.10000E+01 volume  0.25570E-01 ppm1      2.409 ppm2      2.923 CV     1
 ASSI {  705}
   (( segid W   and resid 486   and name HE21)) 
   (( segid W   and resid 486   and name HG2 ))
      3.600     1.000     1.000 peak   705 weight  0.10000E+01 volume  0.12027E-02 ppm1      8.312 ppm2      2.406 CV     1
 ASSI {  706}
   (( segid W   and resid 465   and name HH2 ))
   (( segid W   and resid 486   and name HG2 ))
      3.200     1.100     1.100 peak   706 weight  0.10000E+01 volume  0.69986E-03 ppm1      7.120 ppm2      2.403 CV     1
 ASSI {  707}
   (( segid W   and resid 465   and name HZ3 ))
   (( segid W   and resid 486   and name HG2 ))
      3.100     1.100     1.100 peak   707 weight  0.10000E+01 volume  0.88418E-03 ppm1      6.796 ppm2      2.403 CV     1
 ASSI {  711}
   (( segid W   and resid 463   and name HD1 ))
   (( segid W   and resid 463   and name HB1 ))
      4.000     1.300     1.300 peak   711 weight  0.10000E+01 volume  0.24828E-03 ppm1      3.653 ppm2      2.425 CV     1
 ASSI {  712}
   (( segid W   and resid 463   and name HD2 ))
   (( segid W   and resid 463   and name HB1 ))
      4.200     1.200     1.200 peak   712 weight  0.10000E+01 volume  0.40010E-03 ppm1      3.916 ppm2      2.418 CV     1
 ASSI {  715}
   (( segid W   and resid 463   and name HB2 ))
   (( segid W   and resid 463   and name HB1 ))
      1.800     0.600     0.600 peak   715 weight  0.10000E+01 volume  0.23652E-01 ppm1      2.023 ppm2      2.417 CV     1
 ASSI {  718}
   (( segid W   and resid 487   and name HD1 ))
   (( segid W   and resid 487   and name HB1 ))
      3.300     0.900     0.900 peak   718 weight  0.10000E+01 volume  0.19580E-02 ppm1      7.444 ppm2      3.141 CV     1
 ASSI {  719}
   (( segid W   and resid 487   and name HA ))
   (( segid W   and resid 487   and name HB1 ))
      3.000     1.000     1.000 peak   719 weight  0.10000E+01 volume  0.13309E-02 ppm1      5.238 ppm2      3.147 CV     1
 ASSI {  720}
   (( segid W   and resid 487   and name HB2 ))
   (( segid W   and resid 487   and name HB1 ))
      1.800     0.600     0.600 peak   720 weight  0.10000E+01 volume  0.21734E-01 ppm1      3.615 ppm2      3.143 CV     1
 ASSI {  723}
   (( segid W   and resid 487   and name HD1 ))
   (( segid W   and resid 487   and name HB2 ))
      3.200     1.100     1.100 peak   723 weight  0.10000E+01 volume  0.86284E-03 ppm1      7.451 ppm2      3.615 CV     1
 ASSI {  731}
   (( segid W   and resid 487   and name HZ3 ))
   (( segid W   and resid 487   and name HE3 ))
      2.400     0.800     0.800 peak   731 weight  0.10000E+01 volume  0.45991E-02 ppm1      6.885 ppm2      8.318 CV     1
 ASSI {  733}
   (( segid W   and resid 487   and name HB2 ))
   (( segid W   and resid 487   and name HE3 ))
      4.600     1.300     1.300 peak   733 weight  0.10000E+01 volume  0.31462E-03 ppm1      3.606 ppm2      8.317 CV     1
 ASSI {  735}
   (( segid W   and resid 487   and name HE3 ))
   (( segid W   and resid 487   and name HA ))
      2.600     0.900     0.900 peak   735 weight  0.10000E+01 volume  0.33594E-02 ppm1      8.302 ppm2      5.236 CV     1
 ASSI {  737}
   (( segid W   and resid 465   and name HZ3 ))
   (( segid W   and resid 465   and name HE3 ))
      2.200     0.800     0.800 peak   737 weight  0.10000E+01 volume  0.71730E-02 ppm1      6.795 ppm2      7.465 CV     1
 ASSI {  742}
   (( segid W   and resid 465   and name HE3 ))
   (( segid W   and resid 465   and name HB1 ))
      3.200     1.100     1.100 peak   742 weight  0.10000E+01 volume  0.64961E-03 ppm1      7.463 ppm2      3.368 CV     1
 ASSI {  743}
   (( segid W   and resid 470   and name HD2 ))
   (( segid W   and resid 470   and name HB1 ))
      3.600     1.200     1.200 peak   743 weight  0.10000E+01 volume  0.36264E-03 ppm1      7.339 ppm2      3.360 CV     1
 ASSI {  748}
   (( segid W   and resid 465   and name HB2 ))
   (( segid W   and resid 465   and name HB1 ))
      1.700     0.600     0.600 peak   748 weight  0.10000E+01 volume  0.19977E-01 ppm1      3.127 ppm2      3.376 CV     1
 ASSI {  749}
   (( segid W   and resid 461   and name HB1 ))
   (( segid W   and resid 465   and name HB1 ))
      2.700     0.800     0.800 peak   749 weight  0.10000E+01 volume  0.36833E-02 ppm1      1.428 ppm2      3.376 CV     1
 ASSI {  753}
   (( segid W   and resid 465   and name HE3 ))
   (( segid W   and resid 465   and name HB2 ))
      3.200     0.900     0.900 peak   753 weight  0.10000E+01 volume  0.35176E-02 ppm1      7.463 ppm2      3.129 CV     1
 ASSI {  767}
   (( segid W   and resid 482   and name HG12)) 
   (( segid W   and resid 481   and name HD21)) 
      4.400     1.400     1.400 peak   767 weight  0.10000E+01 volume  0.21714E-03 ppm1      0.740 ppm2      7.482 CV     1
 OR {  767}
   ( segid W   and resid 482   and name HD1%) 
   (( segid W   and resid 481   and name HD21)) 
 OR {  767}
   ( segid W   and resid 482   and name HG2%) 
   (( segid W   and resid 481   and name HD21)) 
 ASSI {  769}
   (( segid W   and resid 465   and name HZ2 ))
   (( segid W   and resid 465   and name HH2 ))
      2.300     0.800     0.800 peak   769 weight  0.10000E+01 volume  0.68905E-02 ppm1      7.484 ppm2      7.126 CV     1
 ASSI {  771}
   (( segid W   and resid 465   and name HZ3 ))
   (( segid W   and resid 465   and name HH2 ))
      2.400     0.800     0.800 peak   771 weight  0.10000E+01 volume  0.46582E-02 ppm1      6.796 ppm2      7.127 CV     1
 ASSI {  785}
   (( segid W   and resid 479   and name HB1 ))
   (( segid W   and resid 465   and name HZ3 ))
      3.600     1.200     1.200 peak   785 weight  0.10000E+01 volume  0.41023E-03 ppm1      0.118 ppm2      6.802 CV     1
 ASSI {  788}
   (( segid W   and resid 477   and name HB2 ))
   ( segid W   and resid 477   and name HD% )
      3.100     1.000     1.000 peak   788 weight  0.10000E+01 volume  0.10959E-02 ppm1      3.267 ppm2      7.078 CV     1
 ASSI {  789}
   (( segid W   and resid 477   and name HB1 ))
   ( segid W   and resid 477   and name HD% )
      2.900     1.000     1.000 peak   789 weight  0.10000E+01 volume  0.13049E-02 ppm1      3.052 ppm2      7.078 CV     1
 ASSI {  794}
   (( segid W   and resid 487   and name HH2 ))
   (( segid W   and resid 487   and name HZ2 ))
      2.400     0.800     0.800 peak   794 weight  0.10000E+01 volume  0.46021E-02 ppm1      6.813 ppm2      7.073 CV     1
 ASSI {  798}
   (( segid W   and resid 487   and name HE3 ))
   (( segid W   and resid 476   and name HB2 ))
      3.300     1.000     1.000 peak   798 weight  0.10000E+01 volume  0.14132E-02 ppm1      8.302 ppm2      3.149 CV     1
 ASSI {  801}
   (( segid W   and resid 477   and name HN ))
   (( segid W   and resid 476   and name HB2 ))
      2.700     1.000     1.000 peak   801 weight  0.10000E+01 volume  0.17069E-02 ppm1      8.958 ppm2      3.149 CV     1
 ASSI {  803}
   (( segid W   and resid 476   and name HA ))
   (( segid W   and resid 476   and name HB2 ))
      2.500     0.800     0.800 peak   803 weight  0.10000E+01 volume  0.41657E-02 ppm1      5.163 ppm2      3.151 CV     1
 ASSI {  805}
   (( segid W   and resid 476   and name HB1 ))
   (( segid W   and resid 476   and name HB2 ))
      1.700     0.600     0.600 peak   805 weight  0.10000E+01 volume  0.21873E-01 ppm1      2.509 ppm2      3.151 CV     1
 ASSI {  806}
   (( segid W   and resid 476   and name HB2 ))
   ( segid W   and resid 476   and name HD% )
      2.900     1.000     1.000 peak   806 weight  0.10000E+01 volume  0.13339E-02 ppm1      3.138 ppm2      6.936 CV     1
 ASSI {  808}
   (( segid W   and resid 487   and name HE3 ))
   (( segid W   and resid 476   and name HB1 ))
      3.300     1.100     1.100 peak   808 weight  0.10000E+01 volume  0.75900E-03 ppm1      8.309 ppm2      2.510 CV     1
 ASSI {  810}
   (( segid W   and resid 476   and name HA ))
   (( segid W   and resid 476   and name HB1 ))
      2.400     0.800     0.800 peak   810 weight  0.10000E+01 volume  0.45044E-02 ppm1      5.164 ppm2      2.511 CV     1
 ASSI {  815}
   (( segid W   and resid 478   and name HN ))
   (( segid W   and resid 477   and name HB2 ))
      4.100     1.200     1.200 peak   815 weight  0.10000E+01 volume  0.45637E-03 ppm1      9.551 ppm2      3.284 CV     1
 ASSI {  817}
   (( segid W   and resid 465   and name HE3 ))
   (( segid W   and resid 477   and name HB2 ))
      3.300     0.900     0.900 peak   817 weight  0.10000E+01 volume  0.28860E-02 ppm1      7.467 ppm2      3.288 CV     1
 ASSI {  819}
   (( segid W   and resid 465   and name HZ3 ))
   (( segid W   and resid 477   and name HB2 ))
      3.000     1.000     1.000 peak   819 weight  0.10000E+01 volume  0.11430E-02 ppm1      6.795 ppm2      3.290 CV     1
 ASSI {  820}
   (( segid W   and resid 477   and name HA ))
   (( segid W   and resid 477   and name HB2 ))
      3.000     0.900     0.900 peak   820 weight  0.10000E+01 volume  0.20806E-02 ppm1      5.284 ppm2      3.282 CV     1
 ASSI {  821}
   (( segid W   and resid 477   and name HA ))
   (( segid W   and resid 477   and name HB1 ))
      3.000     1.000     1.000 peak   821 weight  0.10000E+01 volume  0.11551E-02 ppm1      5.279 ppm2      3.069 CV     1
 ASSI {  822}
   (( segid W   and resid 465   and name HZ3 ))
   (( segid W   and resid 477   and name HB1 ))
      3.200     1.100     1.100 peak   822 weight  0.10000E+01 volume  0.85288E-03 ppm1      6.798 ppm2      3.072 CV     1
 ASSI {  823}
   (( segid W   and resid 465   and name HE3 ))
   (( segid W   and resid 477   and name HB1 ))
      3.100     1.100     1.100 peak   823 weight  0.10000E+01 volume  0.82420E-03 ppm1      7.468 ppm2      3.072 CV     1
 ASSI {  824}
   (( segid W   and resid 477   and name HN ))
   (( segid W   and resid 477   and name HB1 ))
      3.500     1.000     1.000 peak   824 weight  0.10000E+01 volume  0.14436E-02 ppm1      8.960 ppm2      3.068 CV     1
 ASSI {  826}
   (( segid W   and resid 478   and name HN ))
   (( segid W   and resid 477   and name HB1 ))
      3.700     1.200     1.200 peak   826 weight  0.10000E+01 volume  0.38378E-03 ppm1      9.527 ppm2      3.075 CV     1
 ASSI {  830}
   (( segid W   and resid 465   and name HB1 ))
   (( segid W   and resid 465   and name HD1 ))
      3.500     1.000     1.000 peak   830 weight  0.10000E+01 volume  0.11535E-02 ppm1      3.370 ppm2      7.101 CV     1
 ASSI {  834}
   (( segid W   and resid 462   and name HB2 ))
   (( segid W   and resid 465   and name HD1 ))
      2.700     0.900     0.900 peak   834 weight  0.10000E+01 volume  0.18884E-02 ppm1      1.952 ppm2      7.099 CV     1
 ASSI {  837}
   (( segid W   and resid 465   and name HD1 ))
   (( segid W   and resid 465   and name HB2 ))
      3.400     1.200     1.200 peak   837 weight  0.10000E+01 volume  0.49287E-03 ppm1      7.097 ppm2      3.131 CV     1
 ASSI {  846}
   (( segid W   and resid 462   and name HA ))
   (( segid W   and resid 462   and name HD1 ))
      3.800     1.200     1.200 peak   846 weight  0.10000E+01 volume  0.39030E-03 ppm1      4.765 ppm2      3.310 CV     1
 ASSI {  847}
   (( segid W   and resid 461   and name HA ))
   (( segid W   and resid 462   and name HD1 ))
      2.000     0.700     0.700 peak   847 weight  0.10000E+01 volume  0.81984E-02 ppm1      4.098 ppm2      3.314 CV     1
 ASSI {  849}
   (( segid W   and resid 462   and name HD2 ))
   (( segid W   and resid 462   and name HD1 ))
      1.700     0.600     0.600 peak   849 weight  0.10000E+01 volume  0.20142E-01 ppm1      2.756 ppm2      3.314 CV     1
 ASSI {  851}
   (( segid W   and resid 462   and name HG1 ))
   (( segid W   and resid 462   and name HD1 ))
      2.500     0.900     0.900 peak   851 weight  0.10000E+01 volume  0.33442E-02 ppm1      1.741 ppm2      3.316 CV     1
 ASSI {  852}
   (( segid W   and resid 491   and name HG2 ))
   (( segid W   and resid 462   and name HD1 ))
      3.000     1.000     1.000 peak   852 weight  0.10000E+01 volume  0.10856E-02 ppm1      1.155 ppm2      3.318 CV     1
 ASSI {  853}
   (( segid W   and resid 462   and name HG2 ))
   (( segid W   and resid 462   and name HD1 ))
      2.800     0.900     0.900 peak   853 weight  0.10000E+01 volume  0.22714E-02 ppm1      1.384 ppm2      3.315 CV     1
 ASSI {  858}
   (( segid W   and resid 465   and name HD1 ))
   (( segid W   and resid 462   and name HD1 ))
      5.400     1.500     0.600 peak   858 weight  0.10000E+01 volume  0.14737E-03 ppm1      7.095 ppm2      3.309 CV     1
 ASSI {  859}
   (( segid W   and resid 461   and name HA ))
   (( segid W   and resid 462   and name HD2 ))
      3.000     0.800     0.800 peak   859 weight  0.10000E+01 volume  0.40152E-02 ppm1      4.098 ppm2      2.758 CV     1
 ASSI {  864}
   (( segid W   and resid 462   and name HG1 ))
   (( segid W   and resid 462   and name HD2 ))
      3.000     0.900     0.900 peak   864 weight  0.10000E+01 volume  0.23645E-02 ppm1      1.748 ppm2      2.757 CV     1
 ASSI {  866}
   (( segid W   and resid 491   and name HG2 ))
   (( segid W   and resid 462   and name HD2 ))
      3.800     1.100     1.100 peak   866 weight  0.10000E+01 volume  0.70402E-03 ppm1      1.150 ppm2      2.749 CV     1
 ASSI {  868}
   (( segid W   and resid 490   and name HG1 ))
   (( segid W   and resid 490   and name HD1 ))
      2.500     0.900     0.900 peak   868 weight  0.10000E+01 volume  0.35922E-02 ppm1      0.557 ppm2      2.736 CV     1
 OR {  868}
   (( segid W   and resid 490   and name HG1 ))
   (( segid W   and resid 490   and name HD2 ))
 ASSI {  869}
   (( segid W   and resid 490   and name HG2 ))
   (( segid W   and resid 490   and name HD2 ))
      2.300     0.800     0.800 peak   869 weight  0.10000E+01 volume  0.49690E-02 ppm1      0.088 ppm2      2.730 CV     1
 OR {  869}
   (( segid W   and resid 490   and name HG2 ))
   (( segid W   and resid 490   and name HD1 ))
 ASSI {  871}
   (( segid W   and resid 462   and name HA ))
   (( segid W   and resid 462   and name HD2 ))
      4.500     1.500     1.500 peak   871 weight  0.10000E+01 volume  0.14070E-03 ppm1      4.775 ppm2      2.756 CV     1
 ASSI {  872}
   (( segid W   and resid 465   and name HZ3 ))
   (( segid W   and resid 490   and name HD1 ))
      3.800     1.100     1.100 peak   872 weight  0.10000E+01 volume  0.61417E-03 ppm1      6.782 ppm2      2.724 CV     1
 OR {  872}
   (( segid W   and resid 465   and name HZ3 ))
   (( segid W   and resid 490   and name HD2 ))
 ASSI {  873}
   (( segid W   and resid 465   and name HE3 ))
   (( segid W   and resid 490   and name HD1 ))
      4.200     1.200     1.200 peak   873 weight  0.10000E+01 volume  0.41470E-03 ppm1      7.466 ppm2      2.718 CV     1
 OR {  873}
   (( segid W   and resid 465   and name HE3 ))
   (( segid W   and resid 490   and name HD2 ))
 OR {  873}
   (( segid W   and resid 465   and name HZ2 ))
   (( segid W   and resid 490   and name HD1 ))
 ASSI {  874}
   (( segid W   and resid 492   and name HN ))
   (( segid W   and resid 490   and name HD2 ))
      3.800     1.100     1.100 peak   874 weight  0.10000E+01 volume  0.62796E-03 ppm1      7.325 ppm2      2.710 CV     1
 OR {  874}
   (( segid W   and resid 492   and name HN ))
   (( segid W   and resid 490   and name HD1 ))
 ASSI {  875}
   (( segid W   and resid 486   and name HE21)) 
   (( segid W   and resid 490   and name HD1 ))
      3.000     1.100     1.100 peak   875 weight  0.10000E+01 volume  0.89720E-03 ppm1      8.315 ppm2      2.725 CV     1
 OR {  875}
   (( segid W   and resid 486   and name HE21)) 
   (( segid W   and resid 490   and name HD2 ))
 ASSI {  878}
   (( segid W   and resid 462   and name HA ))
   (( segid W   and resid 462   and name HG1 ))
      3.900     1.300     1.300 peak   878 weight  0.10000E+01 volume  0.33922E-03 ppm1      4.773 ppm2      1.744 CV     1
 ASSI {  885}
   (( segid W   and resid 462   and name HG2 ))
   (( segid W   and resid 462   and name HG1 ))
      1.800     0.700     0.700 peak   885 weight  0.10000E+01 volume  0.16014E-01 ppm1      1.365 ppm2      1.739 CV     1
 ASSI {  890}
   (( segid W   and resid 465   and name HD1 ))
   (( segid W   and resid 462   and name HG2 ))
      3.500     1.100     1.100 peak   890 weight  0.10000E+01 volume  0.81818E-03 ppm1      7.097 ppm2      1.363 CV     1
 ASSI {  893}
   (( segid W   and resid 462   and name HD2 ))
   (( segid W   and resid 462   and name HG2 ))
      2.600     0.900     0.900 peak   893 weight  0.10000E+01 volume  0.21545E-02 ppm1      2.755 ppm2      1.365 CV     1
 ASSI {  894}
   (( segid W   and resid 462   and name HB2 ))
   (( segid W   and resid 462   and name HG2 ))
      2.800     1.000     1.000 peak   894 weight  0.10000E+01 volume  0.13367E-02 ppm1      1.946 ppm2      1.364 CV     1
 ASSI {  897}
   (( segid W   and resid 490   and name HB2 ))
   (( segid W   and resid 462   and name HG2 ))
      3.100     1.100     1.100 peak   897 weight  0.10000E+01 volume  0.94933E-03 ppm1      0.873 ppm2      1.372 CV     1
 OR {  897}
   (( segid W   and resid 490   and name HB1 ))
   (( segid W   and resid 462   and name HG2 ))
 ASSI {  898}
   (( segid W   and resid 490   and name HG2 ))
   (( segid W   and resid 462   and name HG2 ))
      3.900     1.400     1.400 peak   898 weight  0.10000E+01 volume  0.18536E-03 ppm1      0.080 ppm2      1.375 CV     1
 ASSI {  899}
   (( segid W   and resid 462   and name HG1 ))
   (( segid W   and resid 462   and name HB1 ))
      2.600     0.900     0.900 peak   899 weight  0.10000E+01 volume  0.21146E-02 ppm1      1.744 ppm2      2.523 CV     1
 ASSI {  900}
   (( segid W   and resid 462   and name HB2 ))
   (( segid W   and resid 462   and name HB1 ))
      1.800     0.700     0.700 peak   900 weight  0.10000E+01 volume  0.15906E-01 ppm1      1.952 ppm2      2.519 CV     1
 ASSI {  903}
   (( segid W   and resid 463   and name HD1 ))
   (( segid W   and resid 462   and name HB1 ))
      3.500     1.000     1.000 peak   903 weight  0.10000E+01 volume  0.16025E-02 ppm1      3.660 ppm2      2.518 CV     1
 ASSI {  905}
   (( segid W   and resid 462   and name HA ))
   (( segid W   and resid 462   and name HB1 ))
      2.400     0.800     0.800 peak   905 weight  0.10000E+01 volume  0.48714E-02 ppm1      4.762 ppm2      2.520 CV     1
 ASSI {  907}
   (( segid W   and resid 462   and name HA ))
   (( segid W   and resid 462   and name HB2 ))
      3.200     1.000     1.000 peak   907 weight  0.10000E+01 volume  0.13592E-02 ppm1      4.763 ppm2      1.956 CV     1
 ASSI {  909}
   (( segid W   and resid 463   and name HD1 ))
   (( segid W   and resid 462   and name HB2 ))
      4.000     1.100     1.100 peak   909 weight  0.10000E+01 volume  0.89386E-03 ppm1      3.659 ppm2      1.955 CV     1
 ASSI {  910}
   (( segid W   and resid 462   and name HD1 ))
   (( segid W   and resid 462   and name HB2 ))
      5.400     1.600     0.600 peak   910 weight  0.10000E+01 volume  0.80774E-04 ppm1      3.323 ppm2      1.950 CV     1
 ASSI {  911}
   (( segid W   and resid 462   and name HD2 ))
   (( segid W   and resid 462   and name HB2 ))
      3.300     1.200     1.200 peak   911 weight  0.10000E+01 volume  0.58415E-03 ppm1      2.756 ppm2      1.958 CV     1
 ASSI {  925}
   (( segid W   and resid 481   and name HD22)) 
   (( segid W   and resid 465   and name HD1 ))
      3.000     1.000     1.000 peak   925 weight  0.10000E+01 volume  0.12350E-02 ppm1      7.398 ppm2      7.091 CV     1
 ASSI {  928}
   (( segid W   and resid 490   and name HD1 ))
   (( segid W   and resid 465   and name HE3 ))
      4.900     1.400     1.100 peak   928 weight  0.10000E+01 volume  0.17602E-03 ppm1      2.714 ppm2      7.476 CV     1
 OR {  928}
   (( segid W   and resid 490   and name HD2 ))
   (( segid W   and resid 465   and name HE3 ))
 ASSI {  930}
   (( segid W   and resid 487   and name HH2 ))
   (( segid W   and resid 470   and name HD2 ))
      3.600     1.200     1.200 peak   930 weight  0.10000E+01 volume  0.43955E-03 ppm1      6.803 ppm2      7.344 CV     1
 ASSI {  932}
   (( segid W   and resid 470   and name HB2 ))
   (( segid W   and resid 470   and name HD2 ))
      3.500     1.000     1.000 peak   932 weight  0.10000E+01 volume  0.12594E-02 ppm1      3.950 ppm2      7.343 CV     1
 ASSI {  936}
   (( segid W   and resid 477   and name HA ))
   ( segid W   and resid 477   and name HD% )
      3.300     1.100     1.100 peak   936 weight  0.10000E+01 volume  0.96904E-03 ppm1      5.278 ppm2      7.082 CV     1
 ASSI {  946}
   (( segid W   and resid 468   and name HB2 ))
   ( segid W   and resid 476   and name HD% )
      6.000     2.000     0.000 peak   946 weight  0.10000E+01 volume  0.20016E-04 ppm1      0.945 ppm2      6.933 CV     1
 ASSI {  955}
   (( segid W   and resid 486   and name HE21)) 
   (( segid W   and resid 477   and name HB1 ))
      4.900     1.400     1.100 peak   955 weight  0.10000E+01 volume  0.19708E-03 ppm1      8.335 ppm2      3.071 CV     1
 ASSI {  959}
   (( segid W   and resid 470   and name HB1 ))
   (( segid W   and resid 470   and name HB2 ))
      1.800     0.600     0.600 peak   959 weight  0.10000E+01 volume  0.18503E-01 ppm1      3.366 ppm2      3.950 CV     1
 ASSI {  961}
   (( segid W   and resid 472   and name HN ))
   (( segid W   and resid 470   and name HB2 ))
      4.700     1.300     1.300 peak   961 weight  0.10000E+01 volume  0.31588E-03 ppm1      7.474 ppm2      3.958 CV     1
 ASSI {  968}
   (( segid W   and resid 480   and name HB1 ))
   (( segid W   and resid 480   and name HD2 ))
      3.400     1.000     1.000 peak   968 weight  0.10000E+01 volume  0.11962E-02 ppm1      3.224 ppm2      6.899 CV     1
 ASSI {  970}
   (( segid W   and resid 481   and name HD22)) 
   (( segid W   and resid 481   and name HB1 ))
      3.300     0.900     0.900 peak   970 weight  0.10000E+01 volume  0.23630E-02 ppm1      7.410 ppm2      2.949 CV     1
 ASSI {  973}
   (( segid W   and resid 482   and name HN ))
   (( segid W   and resid 481   and name HB2 ))
      3.200     1.100     1.100 peak   973 weight  0.10000E+01 volume  0.68553E-03 ppm1      6.283 ppm2      2.719 CV     1
 ASSI {  974}
   (( segid W   and resid 483   and name HN ))
   (( segid W   and resid 481   and name HB2 ))
      4.800     1.300     1.200 peak   974 weight  0.10000E+01 volume  0.23168E-03 ppm1      7.154 ppm2      2.716 CV     1
 ASSI {  975}
   (( segid W   and resid 481   and name HD22)) 
   (( segid W   and resid 481   and name HB2 ))
      4.000     1.100     1.100 peak   975 weight  0.10000E+01 volume  0.94487E-03 ppm1      7.411 ppm2      2.723 CV     1
 ASSI {  982}
   (( segid W   and resid 468   and name HE ))
   (( segid W   and resid 468   and name HD1 ))
      3.100     1.000     1.000 peak   982 weight  0.10000E+01 volume  0.12802E-02 ppm1      7.183 ppm2      2.922 CV     1
 ASSI {  987}
   (( segid W   and resid 461   and name HA ))
   (( segid W   and resid 491   and name HD2 ))
      2.600     0.900     0.900 peak   987 weight  0.10000E+01 volume  0.23625E-02 ppm1      4.095 ppm2      2.756 CV     1
 OR {  987}
   (( segid W   and resid 461   and name HA ))
   (( segid W   and resid 491   and name HD1 ))
 ASSI {  988}
   (( segid W   and resid 462   and name HD1 ))
   (( segid W   and resid 491   and name HD2 ))
      3.300     1.100     1.100 peak   988 weight  0.10000E+01 volume  0.82954E-03 ppm1      3.318 ppm2      2.737 CV     1
 OR {  988}
   (( segid W   and resid 462   and name HD1 ))
   (( segid W   and resid 491   and name HD1 ))
 ASSI {  990}
   (( segid W   and resid 491   and name HG1 ))
   (( segid W   and resid 491   and name HD1 ))
      2.100     0.700     0.700 peak   990 weight  0.10000E+01 volume  0.12799E-01 ppm1      1.732 ppm2      2.750 CV     1
 OR {  990}
   (( segid W   and resid 491   and name HG1 ))
   (( segid W   and resid 491   and name HD2 ))
 ASSI {  991}
   (( segid W   and resid 491   and name HB1 ))
   (( segid W   and resid 491   and name HD2 ))
      2.400     0.800     0.800 peak   991 weight  0.10000E+01 volume  0.45715E-02 ppm1      1.602 ppm2      2.748 CV     1
 OR {  991}
   (( segid W   and resid 491   and name HB1 ))
   (( segid W   and resid 491   and name HD1 ))
 ASSI {  993}
   (( segid W   and resid 491   and name HG2 ))
   (( segid W   and resid 491   and name HD1 ))
      2.400     0.800     0.800 peak   993 weight  0.10000E+01 volume  0.39768E-02 ppm1      1.159 ppm2      2.748 CV     1
 OR {  993}
   (( segid W   and resid 491   and name HG2 ))
   (( segid W   and resid 491   and name HD2 ))
 ASSI {  994}
   ( segid W   and resid 461   and name HD2%) 
   (( segid W   and resid 491   and name HD2 ))
      2.700     0.900     0.900 peak   994 weight  0.10000E+01 volume  0.23025E-02 ppm1      0.796 ppm2      2.757 CV     1
 OR {  994}
   ( segid W   and resid 461   and name HD2%) 
   (( segid W   and resid 491   and name HD1 ))
 ASSI {  998}
   (( segid W   and resid 474   and name HE ))
   (( segid W   and resid 474   and name HD1 ))
      3.800     1.300     1.300 peak   998 weight  0.10000E+01 volume  0.34234E-03 ppm1      7.305 ppm2      2.675 CV     1
 ASSI { 1000}
   (( segid W   and resid 460   and name HD1 ))
   (( segid W   and resid 460   and name HB2 ))
      3.800     1.100     1.100 peak  1000 weight  0.10000E+01 volume  0.78319E-03 ppm1      3.568 ppm2      1.945 CV     1
 ASSI { 1002}
   (( segid W   and resid 461   and name HN ))
   (( segid W   and resid 460   and name HB2 ))
      3.700     1.200     1.200 peak  1002 weight  0.10000E+01 volume  0.55640E-03 ppm1      8.689 ppm2      1.960 CV     1
 ASSI { 1003}
   (( segid W   and resid 461   and name HN ))
   (( segid W   and resid 460   and name HB1 ))
      5.100     1.400     0.900 peak  1003 weight  0.10000E+01 volume  0.15391E-03 ppm1      8.689 ppm2      2.289 CV     1
 ASSI { 1004}
   (( segid W   and resid 460   and name HA ))
   (( segid W   and resid 460   and name HB1 ))
      2.700     0.900     0.900 peak  1004 weight  0.10000E+01 volume  0.24595E-02 ppm1      4.515 ppm2      2.289 CV     1
 ASSI { 1006}
   (( segid W   and resid 452   and name HB2 ))
   (( segid W   and resid 452   and name HG2 ))
      2.000     0.700     0.700 peak  1006 weight  0.10000E+01 volume  0.15774E-01 ppm1      2.320 ppm2      2.039 CV     1
 OR { 1006}
   (( segid W   and resid 452   and name HB2 ))
   (( segid W   and resid 452   and name HG1 ))
 ASSI { 1012}
   (( segid W   and resid 452   and name HD1 ))
   (( segid W   and resid 452   and name HD2 ))
      1.500     0.500     0.700 peak  1012 weight  0.10000E+01 volume  0.73886E-01 ppm1      3.758 ppm2      3.868 CV     1
 ASSI { 1017}
   (( segid W   and resid 495   and name HA ))
   (( segid W   and resid 495   and name HB ))
      3.100     1.000     1.000 peak  1017 weight  0.10000E+01 volume  0.12893E-02 ppm1      4.096 ppm2      2.081 CV     1
 ASSI { 1026}
   (( segid W   and resid 457   and name HA ))
   (( segid W   and resid 457   and name HB1 ))
      2.900     1.000     1.000 peak  1026 weight  0.10000E+01 volume  0.17566E-02 ppm1      4.596 ppm2      2.730 CV     1
 ASSI { 1029}
   (( segid W   and resid 454   and name HB1 ))
   (( segid W   and resid 454   and name HB2 ))
      1.300     0.400     0.900 peak  1029 weight  0.10000E+01 volume  0.20881E+00 ppm1      2.740 ppm2      2.658 CV     1
 ASSI { 1030}
   (( segid W   and resid 457   and name HA ))
   (( segid W   and resid 457   and name HB2 ))
      3.000     0.900     0.900 peak  1030 weight  0.10000E+01 volume  0.18741E-02 ppm1      4.589 ppm2      2.609 CV     1
 ASSI { 1044}
   (( segid W   and resid 465   and name HE3 ))
   (( segid W   and resid 465   and name HA ))
      3.700     1.200     1.200 peak  1044 weight  0.10000E+01 volume  0.47061E-03 ppm1      7.471 ppm2      6.065 CV     1
 ASSI { 1045}
   (( segid W   and resid 465   and name HD1 ))
   (( segid W   and resid 465   and name HA ))
      4.000     1.300     1.300 peak  1045 weight  0.10000E+01 volume  0.26650E-03 ppm1      7.100 ppm2      6.071 CV     1
 ASSI { 1046}
   (( segid W   and resid 480   and name HD2 ))
   (( segid W   and resid 465   and name HA ))
      3.800     1.200     1.200 peak  1046 weight  0.10000E+01 volume  0.39617E-03 ppm1      6.891 ppm2      6.067 CV     1
 ASSI { 1050}
   (( segid W   and resid 465   and name HB2 ))
   (( segid W   and resid 465   and name HA ))
      2.700     0.900     0.900 peak  1050 weight  0.10000E+01 volume  0.29497E-02 ppm1      3.129 ppm2      6.073 CV     1
 ASSI { 1052}
   (( segid W   and resid 478   and name HN ))
   (( segid W   and resid 485   and name HA ))
      4.500     1.300     1.300 peak  1052 weight  0.10000E+01 volume  0.27537E-03 ppm1      9.538 ppm2      5.533 CV     1
 ASSI { 1060}
   (( segid W   and resid 478   and name HA ))
   (( segid W   and resid 485   and name HA ))
      2.300     0.800     0.800 peak  1060 weight  0.10000E+01 volume  0.42812E-02 ppm1      4.340 ppm2      5.524 CV     1
 ASSI { 1061}
   (( segid W   and resid 485   and name HB ))
   (( segid W   and resid 485   and name HA ))
      2.400     0.800     0.800 peak  1061 weight  0.10000E+01 volume  0.37738E-02 ppm1      4.046 ppm2      5.523 CV     1
 ASSI { 1062}
   (( segid W   and resid 486   and name HG2 ))
   (( segid W   and resid 485   and name HA ))
      3.800     1.300     1.300 peak  1062 weight  0.10000E+01 volume  0.34533E-03 ppm1      2.402 ppm2      5.526 CV     1
 ASSI { 1064}
   (( segid W   and resid 478   and name HG12)) 
   (( segid W   and resid 485   and name HA ))
      3.000     1.100     1.100 peak  1064 weight  0.10000E+01 volume  0.10231E-02 ppm1      1.335 ppm2      5.517 CV     1
 ASSI { 1068}
   (( segid W   and resid 486   and name HN ))
   (( segid W   and resid 477   and name HA ))
      5.000     1.600     1.000 peak  1068 weight  0.10000E+01 volume  0.85514E-04 ppm1      9.284 ppm2      5.293 CV     1
 ASSI { 1070}
   (( segid W   and resid 468   and name HN ))
   (( segid W   and resid 477   and name HA ))
      3.400     1.100     1.100 peak  1070 weight  0.10000E+01 volume  0.81357E-03 ppm1      8.334 ppm2      5.292 CV     1
 ASSI { 1071}
   (( segid W   and resid 465   and name HE3 ))
   (( segid W   and resid 477   and name HA ))
      4.000     1.200     1.200 peak  1071 weight  0.10000E+01 volume  0.57667E-03 ppm1      7.482 ppm2      5.279 CV     1
 ASSI { 1075}
   (( segid W   and resid 467   and name HA ))
   (( segid W   and resid 477   and name HA ))
      2.600     0.900     0.900 peak  1075 weight  0.10000E+01 volume  0.34643E-02 ppm1      4.766 ppm2      5.282 CV     1
 ASSI { 1076}
   (( segid W   and resid 478   and name HA ))
   (( segid W   and resid 477   and name HA ))
      4.800     1.500     1.200 peak  1076 weight  0.10000E+01 volume  0.13173E-03 ppm1      4.340 ppm2      5.279 CV     1
 ASSI { 1079}
   (( segid W   and resid 467   and name HB1 ))
   (( segid W   and resid 477   and name HA ))
      4.100     1.200     1.200 peak  1079 weight  0.10000E+01 volume  0.39708E-03 ppm1      1.864 ppm2      5.283 CV     1
 OR { 1079}
   (( segid W   and resid 467   and name HB2 ))
   (( segid W   and resid 477   and name HA ))
 ASSI { 1084}
   (( segid W   and resid 487   and name HB2 ))
   (( segid W   and resid 487   and name HA ))
      2.600     0.800     0.800 peak  1084 weight  0.10000E+01 volume  0.38100E-02 ppm1      3.615 ppm2      5.236 CV     1
 ASSI { 1089}
   (( segid W   and resid 470   and name HB2 ))
   (( segid W   and resid 470   and name HA ))
      2.700     0.900     0.900 peak  1089 weight  0.10000E+01 volume  0.23268E-02 ppm1      3.958 ppm2      5.257 CV     1
 ASSI { 1090}
   (( segid W   and resid 470   and name HB1 ))
   (( segid W   and resid 470   and name HA ))
      2.700     0.800     0.800 peak  1090 weight  0.10000E+01 volume  0.37118E-02 ppm1      3.364 ppm2      5.255 CV     1
 ASSI { 1106}
   (( segid W   and resid 484   and name HG2 ))
   (( segid W   and resid 484   and name HA ))
      2.700     0.900     0.900 peak  1106 weight  0.10000E+01 volume  0.27853E-02 ppm1      1.381 ppm2      4.876 CV     1
 OR { 1106}
   (( segid W   and resid 484   and name HG1 ))
   (( segid W   and resid 484   and name HA ))
 ASSI { 1118}
   (( segid W   and resid 472   and name HB1 ))
   (( segid W   and resid 472   and name HA ))
      2.600     0.800     0.800 peak  1118 weight  0.10000E+01 volume  0.37183E-02 ppm1      3.085 ppm2      4.552 CV     1
 ASSI { 1119}
   (( segid W   and resid 472   and name HB2 ))
   (( segid W   and resid 472   and name HA ))
      2.600     0.800     0.800 peak  1119 weight  0.10000E+01 volume  0.49536E-02 ppm1      2.539 ppm2      4.550 CV     1
 ASSI { 1120}
   (( segid W   and resid 472   and name HN ))
   (( segid W   and resid 472   and name HA ))
      2.700     0.900     0.900 peak  1120 weight  0.10000E+01 volume  0.27812E-02 ppm1      7.476 ppm2      4.552 CV     1
 ASSI { 1125}
   (( segid W   and resid 460   and name HB2 ))
   (( segid W   and resid 460   and name HA ))
      2.900     0.900     0.900 peak  1125 weight  0.10000E+01 volume  0.25734E-02 ppm1      1.956 ppm2      4.522 CV     1
 ASSI { 1131}
   (( segid W   and resid 463   and name HB1 ))
   (( segid W   and resid 463   and name HA ))
      2.500     0.800     0.800 peak  1131 weight  0.10000E+01 volume  0.40192E-02 ppm1      2.412 ppm2      4.482 CV     1
 ASSI { 1132}
   (( segid W   and resid 463   and name HB2 ))
   (( segid W   and resid 463   and name HA ))
      3.200     1.000     1.000 peak  1132 weight  0.10000E+01 volume  0.14690E-02 ppm1      2.024 ppm2      4.484 CV     1
 ASSI { 1133}
   (( segid W   and resid 475   and name HN ))
   (( segid W   and resid 474   and name HA ))
      2.200     0.700     0.700 peak  1133 weight  0.10000E+01 volume  0.81589E-02 ppm1      8.459 ppm2      4.433 CV     1
 ASSI { 1136}
   (( segid W   and resid 474   and name HB1 ))
   (( segid W   and resid 474   and name HA ))
      2.600     0.900     0.900 peak  1136 weight  0.10000E+01 volume  0.27484E-02 ppm1      2.135 ppm2      4.436 CV     1
 ASSI { 1137}
   (( segid W   and resid 474   and name HB2 ))
   (( segid W   and resid 474   and name HA ))
      2.800     0.900     0.900 peak  1137 weight  0.10000E+01 volume  0.25094E-02 ppm1      1.905 ppm2      4.435 CV     1
 ASSI { 1138}
   (( segid W   and resid 474   and name HG1 ))
   (( segid W   and resid 474   and name HA ))
      2.500     0.800     0.800 peak  1138 weight  0.10000E+01 volume  0.39172E-02 ppm1      1.624 ppm2      4.434 CV     1
 OR { 1138}
   (( segid W   and resid 474   and name HG2 ))
   (( segid W   and resid 474   and name HA ))
 ASSI { 1142}
   (( segid W   and resid 482   and name HN ))
   (( segid W   and resid 481   and name HA ))
      3.700     1.200     1.200 peak  1142 weight  0.10000E+01 volume  0.52828E-03 ppm1      6.304 ppm2      4.376 CV     1
 ASSI { 1143}
   (( segid W   and resid 483   and name HN ))
   (( segid W   and resid 481   and name HA ))
      4.700     1.500     1.300 peak  1143 weight  0.10000E+01 volume  0.13207E-03 ppm1      7.147 ppm2      4.371 CV     1
 ASSI { 1146}
   (( segid W   and resid 481   and name HB2 ))
   (( segid W   and resid 481   and name HA ))
      2.600     0.800     0.800 peak  1146 weight  0.10000E+01 volume  0.59471E-02 ppm1      2.717 ppm2      4.379 CV     1
 ASSI { 1151}
   (( segid W   and resid 492   and name HB2 ))
   (( segid W   and resid 492   and name HA ))
      2.700     0.900     0.900 peak  1151 weight  0.10000E+01 volume  0.28517E-02 ppm1      2.151 ppm2      4.395 CV     1
 ASSI { 1153}
   (( segid W   and resid 468   and name HN ))
   (( segid W   and resid 468   and name HA ))
      2.800     0.900     0.900 peak  1153 weight  0.10000E+01 volume  0.19839E-02 ppm1      8.343 ppm2      4.395 CV     1
 ASSI { 1156}
   (( segid W   and resid 468   and name HD2 ))
   (( segid W   and resid 468   and name HA ))
      3.300     1.000     1.000 peak  1156 weight  0.10000E+01 volume  0.14605E-02 ppm1      3.236 ppm2      4.397 CV     1
 ASSI { 1157}
   (( segid W   and resid 468   and name HD1 ))
   (( segid W   and resid 468   and name HA ))
      4.200     1.200     1.200 peak  1157 weight  0.10000E+01 volume  0.40951E-03 ppm1      2.924 ppm2      4.395 CV     1
 ASSI { 1160}
   (( segid W   and resid 468   and name HG1 ))
   (( segid W   and resid 468   and name HA ))
      3.500     1.000     1.000 peak  1160 weight  0.10000E+01 volume  0.17321E-02 ppm1      1.424 ppm2      4.398 CV     1
 ASSI { 1161}
   (( segid W   and resid 468   and name HG2 ))
   (( segid W   and resid 468   and name HA ))
      2.900     1.000     1.000 peak  1161 weight  0.10000E+01 volume  0.14594E-02 ppm1      1.249 ppm2      4.398 CV     1
 ASSI { 1162}
   (( segid W   and resid 468   and name HB2 ))
   (( segid W   and resid 468   and name HA ))
      2.700     0.900     0.900 peak  1162 weight  0.10000E+01 volume  0.32269E-02 ppm1      0.929 ppm2      4.397 CV     1
 ASSI { 1163}
   (( segid W   and resid 468   and name HB1 ))
   (( segid W   and resid 468   and name HA ))
      2.600     0.900     0.900 peak  1163 weight  0.10000E+01 volume  0.29309E-02 ppm1      0.614 ppm2      4.393 CV     1
 ASSI { 1167}
   (( segid W   and resid 482   and name HN ))
   (( segid W   and resid 482   and name HA ))
      3.000     1.000     1.000 peak  1167 weight  0.10000E+01 volume  0.14410E-02 ppm1      6.282 ppm2      4.358 CV     1
 ASSI { 1169}
   (( segid W   and resid 482   and name HB ))
   (( segid W   and resid 482   and name HA ))
      2.500     0.800     0.800 peak  1169 weight  0.10000E+01 volume  0.45453E-02 ppm1      1.928 ppm2      4.358 CV     1
 ASSI { 1172}
   (( segid W   and resid 478   and name HN ))
   (( segid W   and resid 478   and name HA ))
      2.700     0.900     0.900 peak  1172 weight  0.10000E+01 volume  0.20156E-02 ppm1      9.528 ppm2      4.342 CV     1
 ASSI { 1178}
   (( segid W   and resid 465   and name HZ3 ))
   (( segid W   and resid 478   and name HA ))
      3.800     1.300     1.300 peak  1178 weight  0.10000E+01 volume  0.27020E-03 ppm1      6.786 ppm2      4.339 CV     1
 ASSI { 1179}
   (( segid W   and resid 478   and name HB ))
   (( segid W   and resid 478   and name HA ))
      3.000     1.000     1.000 peak  1179 weight  0.10000E+01 volume  0.10964E-02 ppm1      1.501 ppm2      4.336 CV     1
 ASSI { 1182}
   (( segid W   and resid 478   and name HG11)) 
   (( segid W   and resid 478   and name HA ))
      2.700     0.800     0.800 peak  1182 weight  0.10000E+01 volume  0.44592E-02 ppm1      0.737 ppm2      4.341 CV     1
 ASSI { 1183}
   ( segid W   and resid 478   and name HD1%) 
   (( segid W   and resid 478   and name HA ))
      5.600     1.500     0.400 peak  1183 weight  0.10000E+01 volume  0.99806E-04 ppm1      0.511 ppm2      4.337 CV     1
 ASSI { 1187}
   (( segid W   and resid 497   and name HB ))
   (( segid W   and resid 497   and name HA ))
      3.500     1.100     1.100 peak  1187 weight  0.10000E+01 volume  0.62371E-03 ppm1      1.909 ppm2      4.244 CV     1
 ASSI { 1188}
   (( segid W   and resid 493   and name HB2 ))
   (( segid W   and resid 493   and name HA ))
      2.800     0.900     0.900 peak  1188 weight  0.10000E+01 volume  0.25638E-02 ppm1      2.019 ppm2      4.255 CV     1
 ASSI { 1190}
   (( segid W   and resid 493   and name HN ))
   (( segid W   and resid 493   and name HA ))
      2.900     0.900     0.900 peak  1190 weight  0.10000E+01 volume  0.19013E-02 ppm1      7.613 ppm2      4.256 CV     1
 ASSI { 1192}
   (( segid W   and resid 493   and name HG1 ))
   (( segid W   and resid 493   and name HA ))
      3.200     1.000     1.000 peak  1192 weight  0.10000E+01 volume  0.12602E-02 ppm1      2.247 ppm2      4.259 CV     1
 OR { 1192}
   (( segid W   and resid 493   and name HG2 ))
   (( segid W   and resid 493   and name HA ))
 ASSI { 1195}
   (( segid W   and resid 458   and name HB1 ))
   (( segid W   and resid 458   and name HA ))
      2.800     0.900     0.900 peak  1195 weight  0.10000E+01 volume  0.24147E-02 ppm1      1.624 ppm2      4.232 CV     1
 OR { 1195}
   (( segid W   and resid 458   and name HG ))
   (( segid W   and resid 458   and name HA ))
 ASSI { 1196}
   (( segid W   and resid 458   and name HB2 ))
   (( segid W   and resid 458   and name HA ))
      2.800     0.900     0.900 peak  1196 weight  0.10000E+01 volume  0.28492E-02 ppm1      1.421 ppm2      4.233 CV     1
 ASSI { 1200}
   (( segid W   and resid 473   and name HA1 ))
   (( segid W   and resid 473   and name HA2 ))
      1.700     0.600     0.600 peak  1200 weight  0.10000E+01 volume  0.34993E-01 ppm1      3.553 ppm2      4.348 CV     1
 ASSI { 1205}
   (( segid W   and resid 464   and name HA2 ))
   (( segid W   and resid 464   and name HA1 ))
      1.800     0.600     0.600 peak  1205 weight  0.10000E+01 volume  0.21420E-01 ppm1      3.810 ppm2      4.283 CV     1
 ASSI { 1208}
   (( segid W   and resid 481   and name HN ))
   (( segid W   and resid 480   and name HA ))
      4.200     1.300     1.300 peak  1208 weight  0.10000E+01 volume  0.23158E-03 ppm1      8.043 ppm2      4.186 CV     1
 ASSI { 1209}
   (( segid W   and resid 483   and name HN ))
   (( segid W   and resid 480   and name HA ))
      3.000     1.000     1.000 peak  1209 weight  0.10000E+01 volume  0.15720E-02 ppm1      7.151 ppm2      4.188 CV     1
 ASSI { 1212}
   (( segid W   and resid 482   and name HN ))
   (( segid W   and resid 480   and name HA ))
      4.100     1.300     1.300 peak  1212 weight  0.10000E+01 volume  0.31914E-03 ppm1      6.273 ppm2      4.185 CV     1
 ASSI { 1216}
   (( segid W   and resid 480   and name HB2 ))
   (( segid W   and resid 480   and name HA ))
      2.700     0.800     0.800 peak  1216 weight  0.10000E+01 volume  0.38238E-02 ppm1      3.108 ppm2      4.195 CV     1
 ASSI { 1217}
   (( segid W   and resid 483   and name HA ))
   (( segid W   and resid 480   and name HA ))
      3.000     1.000     1.000 peak  1217 weight  0.10000E+01 volume  0.13753E-02 ppm1      2.311 ppm2      4.194 CV     1
 ASSI { 1220}
   (( segid W   and resid 488   and name HN ))
   (( segid W   and resid 488   and name HA ))
      2.800     0.900     0.900 peak  1220 weight  0.10000E+01 volume  0.21659E-02 ppm1      8.649 ppm2      4.167 CV     1
 ASSI { 1224}
   (( segid W   and resid 489   and name HA ))
   (( segid W   and resid 488   and name HA ))
      3.300     1.100     1.100 peak  1224 weight  0.10000E+01 volume  0.10174E-02 ppm1      2.906 ppm2      4.173 CV     1
 ASSI { 1226}
   (( segid W   and resid 488   and name HG2 ))
   (( segid W   and resid 488   and name HA ))
      2.700     0.800     0.800 peak  1226 weight  0.10000E+01 volume  0.41091E-02 ppm1      2.258 ppm2      4.166 CV     1
 ASSI { 1227}
   (( segid W   and resid 488   and name HB1 ))
   (( segid W   and resid 488   and name HA ))
      3.000     1.000     1.000 peak  1227 weight  0.10000E+01 volume  0.17754E-02 ppm1      2.032 ppm2      4.167 CV     1
 ASSI { 1228}
   (( segid W   and resid 488   and name HB2 ))
   (( segid W   and resid 488   and name HA ))
      2.600     0.800     0.800 peak  1228 weight  0.10000E+01 volume  0.42952E-02 ppm1      1.744 ppm2      4.167 CV     1
 ASSI { 1233}
   (( segid W   and resid 461   and name HB2 ))
   (( segid W   and resid 461   and name HA ))
      2.300     0.800     0.800 peak  1233 weight  0.10000E+01 volume  0.44607E-02 ppm1      1.798 ppm2      4.099 CV     1
 ASSI { 1234}
   (( segid W   and resid 461   and name HB1 ))
   (( segid W   and resid 461   and name HA ))
      2.700     0.900     0.900 peak  1234 weight  0.10000E+01 volume  0.35660E-02 ppm1      1.428 ppm2      4.099 CV     1
 ASSI { 1235}
   (( segid W   and resid 491   and name HG2 ))
   (( segid W   and resid 461   and name HA ))
      3.200     1.000     1.000 peak  1235 weight  0.10000E+01 volume  0.16123E-02 ppm1      1.163 ppm2      4.097 CV     1
 ASSI { 1241}
   ( segid W   and resid 471   and name HG2%) 
   (( segid W   and resid 471   and name HB ))
      2.600     0.800     0.800 peak  1241 weight  0.10000E+01 volume  0.37094E-02 ppm1      1.204 ppm2      4.056 CV     1
 ASSI { 1242}
   (( segid W   and resid 491   and name HN ))
   (( segid W   and resid 490   and name HA ))
      3.700     1.200     1.200 peak  1242 weight  0.10000E+01 volume  0.39597E-03 ppm1      8.638 ppm2      3.996 CV     1
 ASSI { 1245}
   (( segid W   and resid 486   and name HE22)) 
   (( segid W   and resid 490   and name HA ))
      3.300     1.100     1.100 peak  1245 weight  0.10000E+01 volume  0.75770E-03 ppm1      7.135 ppm2      3.997 CV     1
 ASSI { 1248}
   (( segid W   and resid 490   and name HD1 ))
   (( segid W   and resid 490   and name HA ))
      3.700     1.200     1.200 peak  1248 weight  0.10000E+01 volume  0.50203E-03 ppm1      2.714 ppm2      4.003 CV     1
 OR { 1248}
   (( segid W   and resid 490   and name HD2 ))
   (( segid W   and resid 490   and name HA ))
 ASSI { 1250}
   (( segid W   and resid 493   and name HB1 ))
   (( segid W   and resid 490   and name HA ))
      3.700     1.100     1.100 peak  1250 weight  0.10000E+01 volume  0.70339E-03 ppm1      1.927 ppm2      3.995 CV     1
 ASSI { 1253}
   (( segid W   and resid 490   and name HB1 ))
   (( segid W   and resid 490   and name HA ))
      2.200     0.700     0.700 peak  1253 weight  0.10000E+01 volume  0.82555E-02 ppm1      0.875 ppm2      3.996 CV     1
 OR { 1253}
   (( segid W   and resid 490   and name HB2 ))
   (( segid W   and resid 490   and name HA ))
 ASSI { 1254}
   (( segid W   and resid 490   and name HG1 ))
   (( segid W   and resid 490   and name HA ))
      3.800     1.100     1.100 peak  1254 weight  0.10000E+01 volume  0.89229E-03 ppm1      0.568 ppm2      3.996 CV     1
 ASSI { 1257}
   (( segid W   and resid 455   and name HA ))
   (( segid W   and resid 455   and name HB2 ))
      3.300     1.000     1.000 peak  1257 weight  0.10000E+01 volume  0.10901E-02 ppm1      4.378 ppm2      3.915 CV     1
 ASSI { 1259}
   (( segid W   and resid 455   and name HA ))
   (( segid W   and resid 455   and name HB1 ))
      3.400     1.100     1.100 peak  1259 weight  0.10000E+01 volume  0.73038E-03 ppm1      4.377 ppm2      3.851 CV     1
 ASSI { 1260}
   ( segid W   and resid 471   and name HG2%) 
   (( segid W   and resid 471   and name HA ))
      2.700     0.900     0.900 peak  1260 weight  0.10000E+01 volume  0.33088E-02 ppm1      1.201 ppm2      3.908 CV     1
 ASSI { 1262}
   (( segid W   and resid 471   and name HB ))
   (( segid W   and resid 471   and name HA ))
      2.900     0.900     0.900 peak  1262 weight  0.10000E+01 volume  0.23058E-02 ppm1      4.058 ppm2      3.905 CV     1
 ASSI { 1265}
   (( segid W   and resid 473   and name HN ))
   (( segid W   and resid 471   and name HA ))
      3.500     1.100     1.100 peak  1265 weight  0.10000E+01 volume  0.62703E-03 ppm1      8.105 ppm2      3.910 CV     1
 ASSI { 1267}
   (( segid W   and resid 463   and name HD1 ))
   (( segid W   and resid 463   and name HD2 ))
      1.700     0.600     0.600 peak  1267 weight  0.10000E+01 volume  0.25679E-01 ppm1      3.659 ppm2      3.925 CV     1
 ASSI { 1269}
   (( segid W   and resid 463   and name HA ))
   (( segid W   and resid 463   and name HD2 ))
      4.100     1.300     1.300 peak  1269 weight  0.10000E+01 volume  0.31624E-03 ppm1      4.494 ppm2      3.926 CV     1
 ASSI { 1270}
   (( segid W   and resid 462   and name HA ))
   (( segid W   and resid 463   and name HD2 ))
      2.400     0.800     0.800 peak  1270 weight  0.10000E+01 volume  0.70009E-02 ppm1      4.768 ppm2      3.927 CV     1
 ASSI { 1276}
   (( segid W   and resid 459   and name HA1 ))
   (( segid W   and resid 459   and name HA2 ))
      1.600     0.600     0.600 peak  1276 weight  0.10000E+01 volume  0.39132E-01 ppm1      4.172 ppm2      3.938 CV     1
 ASSI { 1277}
   (( segid W   and resid 460   and name HA ))
   (( segid W   and resid 459   and name HA2 ))
      4.200     1.300     1.300 peak  1277 weight  0.10000E+01 volume  0.23721E-03 ppm1      4.516 ppm2      3.944 CV     1
 ASSI { 1279}
   (( segid W   and resid 470   and name HN ))
   (( segid W   and resid 470   and name HB2 ))
      2.600     0.900     0.900 peak  1279 weight  0.10000E+01 volume  0.24317E-02 ppm1      9.808 ppm2      3.951 CV     1
 ASSI { 1289}
   (( segid W   and resid 465   and name HN ))
   (( segid W   and resid 464   and name HA2 ))
      3.300     1.000     1.000 peak  1289 weight  0.10000E+01 volume  0.10379E-02 ppm1      7.775 ppm2      3.812 CV     1
 ASSI { 1290}
   (( segid W   and resid 481   and name HN ))
   (( segid W   and resid 464   and name HA2 ))
      6.000     2.000     0.000 peak  1290 weight  0.10000E+01 volume  0.23205E-04 ppm1      8.043 ppm2      3.815 CV     1
 ASSI { 1293}
   (( segid W   and resid 462   and name HA ))
   (( segid W   and resid 463   and name HD1 ))
      2.600     0.900     0.900 peak  1293 weight  0.10000E+01 volume  0.32738E-02 ppm1      4.769 ppm2      3.662 CV     1
 ASSI { 1297}
   (( segid W   and resid 463   and name HG1 ))
   (( segid W   and resid 463   and name HD1 ))
      2.400     0.800     0.800 peak  1297 weight  0.10000E+01 volume  0.46447E-02 ppm1      2.189 ppm2      3.661 CV     1
 ASSI { 1302}
   (( segid W   and resid 460   and name HB1 ))
   (( segid W   and resid 460   and name HD2 ))
      3.100     1.000     1.000 peak  1302 weight  0.10000E+01 volume  0.11941E-02 ppm1      2.281 ppm2      3.611 CV     1
 ASSI { 1309}
   (( segid W   and resid 459   and name HA1 ))
   (( segid W   and resid 460   and name HD1 ))
      2.400     0.800     0.800 peak  1309 weight  0.10000E+01 volume  0.36556E-02 ppm1      4.172 ppm2      3.564 CV     1
 ASSI { 1310}
   (( segid W   and resid 460   and name HA ))
   (( segid W   and resid 460   and name HD1 ))
      3.700     1.100     1.100 peak  1310 weight  0.10000E+01 volume  0.60323E-03 ppm1      4.519 ppm2      3.559 CV     1
 ASSI { 1311}
   (( segid W   and resid 460   and name HA ))
   (( segid W   and resid 460   and name HD2 ))
      3.500     1.100     1.100 peak  1311 weight  0.10000E+01 volume  0.63999E-03 ppm1      4.524 ppm2      3.613 CV     1
 ASSI { 1316}
   (( segid W   and resid 474   and name HN ))
   (( segid W   and resid 473   and name HA1 ))
      2.800     0.900     0.900 peak  1316 weight  0.10000E+01 volume  0.33399E-02 ppm1      8.214 ppm2      3.549 CV     1
 ASSI { 1318}
   (( segid W   and resid 467   and name HA ))
   (( segid W   and resid 477   and name HB2 ))
      6.000     1.900     0.000 peak  1318 weight  0.10000E+01 volume  0.34297E-04 ppm1      4.773 ppm2      3.278 CV     1
 ASSI { 1322}
   (( segid W   and resid 468   and name HB2 ))
   (( segid W   and resid 468   and name HD2 ))
      3.600     1.000     1.000 peak  1322 weight  0.10000E+01 volume  0.12333E-02 ppm1      0.935 ppm2      3.239 CV     1
 ASSI { 1325}
   (( segid W   and resid 468   and name HG1 ))
   (( segid W   and resid 468   and name HD2 ))
      2.800     1.000     1.000 peak  1325 weight  0.10000E+01 volume  0.18638E-02 ppm1      1.427 ppm2      3.244 CV     1
 ASSI { 1326}
   (( segid W   and resid 468   and name HG2 ))
   (( segid W   and resid 468   and name HD2 ))
      3.200     1.000     1.000 peak  1326 weight  0.10000E+01 volume  0.15006E-02 ppm1      1.248 ppm2      3.243 CV     1
 ASSI { 1327}
   (( segid W   and resid 468   and name HD1 ))
   (( segid W   and resid 468   and name HD2 ))
      1.700     0.600     0.600 peak  1327 weight  0.10000E+01 volume  0.22237E-01 ppm1      2.922 ppm2      3.243 CV     1
 ASSI { 1333}
   (( segid W   and resid 468   and name HE ))
   (( segid W   and resid 468   and name HD2 ))
      2.900     1.000     1.000 peak  1333 weight  0.10000E+01 volume  0.14783E-02 ppm1      7.182 ppm2      3.249 CV     1
 ASSI { 1335}
   (( segid W   and resid 490   and name HG1 ))
   (( segid W   and resid 490   and name HG2 ))
      1.800     0.700     0.700 peak  1335 weight  0.10000E+01 volume  0.17025E-01 ppm1      0.558 ppm2      0.090 CV     1
 ASSI { 1336}
   (( segid W   and resid 490   and name HB2 ))
   (( segid W   and resid 490   and name HG2 ))
      2.300     0.800     0.800 peak  1336 weight  0.10000E+01 volume  0.69312E-02 ppm1      0.864 ppm2      0.091 CV     1
 OR { 1336}
   (( segid W   and resid 490   and name HB1 ))
   (( segid W   and resid 490   and name HG2 ))
 ASSI { 1341}
   (( segid W   and resid 465   and name HB2 ))
   (( segid W   and resid 490   and name HG2 ))
      4.100     1.300     1.300 peak  1341 weight  0.10000E+01 volume  0.35490E-03 ppm1      3.113 ppm2      0.091 CV     1
 ASSI { 1343}
   (( segid W   and resid 490   and name HA ))
   (( segid W   and resid 490   and name HG2 ))
      3.900     1.200     1.200 peak  1343 weight  0.10000E+01 volume  0.55356E-03 ppm1      4.011 ppm2      0.087 CV     1
 ASSI { 1344}
   (( segid W   and resid 465   and name HZ3 ))
   (( segid W   and resid 490   and name HG2 ))
      5.200     1.400     0.800 peak  1344 weight  0.10000E+01 volume  0.17635E-03 ppm1      6.801 ppm2      0.093 CV     1
 ASSI { 1356}
   (( segid W   and resid 466   and name HB2 ))
   ( segid W   and resid 478   and name HG2%) 
      3.400     1.100     1.100 peak  1356 weight  0.10000E+01 volume  0.64919E-03 ppm1      2.031 ppm2      0.268 CV     1
 ASSI { 1365}
   (( segid W   and resid 485   and name HA ))
   ( segid W   and resid 478   and name HG2%) 
      4.800     1.300     1.200 peak  1365 weight  0.10000E+01 volume  0.25270E-03 ppm1      5.514 ppm2      0.255 CV     1
 ASSI { 1366}
   (( segid W   and resid 465   and name HA ))
   ( segid W   and resid 478   and name HG2%) 
      5.100     1.600     0.900 peak  1366 weight  0.10000E+01 volume  0.92907E-04 ppm1      6.070 ppm2      0.269 CV     1
 ASSI { 1380}
   (( segid W   and resid 478   and name HG11)) 
   ( segid W   and resid 478   and name HD1%) 
      2.000     0.700     0.700 peak  1380 weight  0.10000E+01 volume  0.13155E-01 ppm1      0.748 ppm2      0.513 CV     1
 ASSI { 1404}
   (( segid W   and resid 491   and name HG2 ))
   (( segid W   and resid 490   and name HG1 ))
      4.000     1.100     1.100 peak  1404 weight  0.10000E+01 volume  0.90883E-03 ppm1      1.159 ppm2      0.551 CV     1
 ASSI { 1408}
   (( segid W   and resid 462   and name HD1 ))
   (( segid W   and resid 490   and name HG1 ))
      4.000     1.100     1.100 peak  1408 weight  0.10000E+01 volume  0.62592E-03 ppm1      3.312 ppm2      0.556 CV     1
 ASSI { 1412}
   (( segid W   and resid 483   and name HG2 ))
   (( segid W   and resid 483   and name HG1 ))
      1.800     0.600     0.600 peak  1412 weight  0.10000E+01 volume  0.18453E-01 ppm1      0.931 ppm2      0.697 CV     1
 ASSI { 1413}
   (( segid W   and resid 483   and name HD2 ))
   (( segid W   and resid 483   and name HG1 ))
      2.900     1.000     1.000 peak  1413 weight  0.10000E+01 volume  0.17157E-02 ppm1      1.467 ppm2      0.694 CV     1
 OR { 1413}
   (( segid W   and resid 483   and name HD1 ))
   (( segid W   and resid 483   and name HG1 ))
 ASSI { 1415}
   (( segid W   and resid 483   and name HA ))
   (( segid W   and resid 483   and name HG1 ))
      3.200     0.900     0.900 peak  1415 weight  0.10000E+01 volume  0.21224E-02 ppm1      2.316 ppm2      0.691 CV     1
 ASSI { 1421}
   (( segid W   and resid 483   and name HG2 ))
   (( segid W   and resid 483   and name HB2 ))
      2.500     0.800     0.800 peak  1421 weight  0.10000E+01 volume  0.68908E-02 ppm1      0.928 ppm2      0.708 CV     1
 ASSI { 1423}
   (( segid W   and resid 483   and name HB1 ))
   (( segid W   and resid 483   and name HB2 ))
      1.800     0.600     0.600 peak  1423 weight  0.10000E+01 volume  0.20206E-01 ppm1      1.842 ppm2      0.710 CV     1
 ASSI { 1424}
   (( segid W   and resid 483   and name HA ))
   (( segid W   and resid 483   and name HB2 ))
      2.900     0.900     0.900 peak  1424 weight  0.10000E+01 volume  0.26610E-02 ppm1      2.309 ppm2      0.710 CV     1
 ASSI { 1428}
   (( segid W   and resid 482   and name HG11)) 
   (( segid W   and resid 482   and name HG12)) 
      1.900     0.700     0.700 peak  1428 weight  0.10000E+01 volume  0.98225E-02 ppm1      0.936 ppm2      0.739 CV     1
 ASSI { 1431}
   (( segid W   and resid 479   and name HB2 ))
   (( segid W   and resid 482   and name HG12)) 
      4.000     1.200     1.200 peak  1431 weight  0.10000E+01 volume  0.49204E-03 ppm1      2.089 ppm2      0.736 CV     1
 ASSI { 1432}
   (( segid W   and resid 482   and name HA ))
   (( segid W   and resid 482   and name HG12)) 
      4.400     1.400     1.400 peak  1432 weight  0.10000E+01 volume  0.19766E-03 ppm1      4.340 ppm2      0.736 CV     1
 ASSI { 1434}
   (( segid W   and resid 479   and name HD21)) 
   (( segid W   and resid 482   and name HG12)) 
      3.700     1.100     1.100 peak  1434 weight  0.10000E+01 volume  0.83775E-03 ppm1      7.217 ppm2      0.735 CV     1
 ASSI { 1436}
   (( segid W   and resid 481   and name HN ))
   (( segid W   and resid 482   and name HG12)) 
      5.300     1.500     0.700 peak  1436 weight  0.10000E+01 volume  0.10216E-03 ppm1      8.054 ppm2      0.724 CV     1
 ASSI { 1439}
   (( segid W   and resid 482   and name HB ))
   ( segid W   and resid 482   and name HG2%) 
      2.400     0.800     0.800 peak  1439 weight  0.10000E+01 volume  0.57353E-02 ppm1      1.928 ppm2      0.724 CV     1
 ASSI { 1451}
   (( segid W   and resid 482   and name HB ))
   ( segid W   and resid 482   and name HD1%) 
      2.700     0.900     0.900 peak  1451 weight  0.10000E+01 volume  0.32543E-02 ppm1      1.930 ppm2      0.746 CV     1
 ASSI { 1453}
   (( segid W   and resid 482   and name HA ))
   ( segid W   and resid 482   and name HD1%) 
      4.300     1.200     1.200 peak  1453 weight  0.10000E+01 volume  0.58013E-03 ppm1      4.352 ppm2      0.747 CV     1
 ASSI { 1463}
   ( segid W   and resid 485   and name HG2%) 
   (( segid W   and resid 478   and name HG11)) 
      3.900     1.100     1.100 peak  1463 weight  0.10000E+01 volume  0.92166E-03 ppm1      1.210 ppm2      0.751 CV     1
 ASSI { 1464}
   (( segid W   and resid 478   and name HG12)) 
   (( segid W   and resid 478   and name HG11)) 
      1.900     0.700     0.700 peak  1464 weight  0.10000E+01 volume  0.12946E-01 ppm1      1.327 ppm2      0.748 CV     1
 ASSI { 1465}
   (( segid W   and resid 478   and name HB ))
   (( segid W   and resid 478   and name HG11)) 
      2.300     0.700     0.700 peak  1465 weight  0.10000E+01 volume  0.86782E-02 ppm1      1.506 ppm2      0.756 CV     1
 ASSI { 1469}
   (( segid W   and resid 478   and name HN ))
   (( segid W   and resid 478   and name HG11)) 
      4.300     1.300     1.300 peak  1469 weight  0.10000E+01 volume  0.34759E-03 ppm1      9.540 ppm2      0.748 CV     1
 ASSI { 1471}
   ( segid W   and resid 475   and name HG1%) 
   ( segid W   and resid 475   and name HG2%) 
      4.000     1.300     1.300 peak  1471 weight  0.10000E+01 volume  0.29714E-03 ppm1      1.000 ppm2      0.715 CV     1
 ASSI { 1476}
   (( segid W   and resid 475   and name HA ))
   ( segid W   and resid 475   and name HG2%) 
      2.700     0.900     0.900 peak  1476 weight  0.10000E+01 volume  0.25022E-02 ppm1      4.816 ppm2      0.716 CV     1
 ASSI { 1484}
   (( segid W   and resid 468   and name HN ))
   ( segid W   and resid 475   and name HG2%) 
      3.100     1.000     1.000 peak  1484 weight  0.10000E+01 volume  0.12471E-02 ppm1      8.339 ppm2      0.716 CV     1
 ASSI { 1488}
   (( segid W   and resid 470   and name HN ))
   ( segid W   and resid 475   and name HG2%) 
      4.700     1.300     1.300 peak  1488 weight  0.10000E+01 volume  0.27439E-03 ppm1      9.809 ppm2      0.712 CV     1
 ASSI { 1490}
   (( segid W   and resid 458   and name HG ))
   ( segid W   and resid 458   and name HD2%) 
      2.700     0.900     0.900 peak  1490 weight  0.10000E+01 volume  0.28727E-02 ppm1      1.600 ppm2      0.769 CV     1
 OR { 1490}
   (( segid W   and resid 458   and name HB1 ))
   ( segid W   and resid 458   and name HD2%) 
 ASSI { 1491}
   (( segid W   and resid 458   and name HB2 ))
   ( segid W   and resid 458   and name HD2%) 
      3.700     1.000     1.000 peak  1491 weight  0.10000E+01 volume  0.12943E-02 ppm1      1.423 ppm2      0.767 CV     1
 ASSI { 1498}
   (( segid W   and resid 458   and name HN ))
   ( segid W   and resid 458   and name HD2%) 
      4.200     1.200     1.200 peak  1498 weight  0.10000E+01 volume  0.47046E-03 ppm1      8.208 ppm2      0.773 CV     1
 ASSI { 1503}
   (( segid W   and resid 461   and name HB1 ))
   ( segid W   and resid 461   and name HD2%) 
      3.100     0.900     0.900 peak  1503 weight  0.10000E+01 volume  0.24473E-02 ppm1      1.437 ppm2      0.801 CV     1
 ASSI { 1504}
   (( segid W   and resid 461   and name HG ))
   ( segid W   and resid 461   and name HD2%) 
      2.400     0.800     0.800 peak  1504 weight  0.10000E+01 volume  0.57339E-02 ppm1      1.820 ppm2      0.799 CV     1
 ASSI { 1525}
   (( segid W   and resid 462   and name HB1 ))
   ( segid W   and resid 458   and name HD1%) 
      4.100     1.400     1.400 peak  1525 weight  0.10000E+01 volume  0.22290E-03 ppm1      2.525 ppm2      0.860 CV     1
 ASSI { 1528}
   (( segid W   and resid 458   and name HA ))
   ( segid W   and resid 458   and name HD1%) 
      4.300     1.200     1.200 peak  1528 weight  0.10000E+01 volume  0.46275E-03 ppm1      4.230 ppm2      0.856 CV     1
 ASSI { 1531}
   (( segid W   and resid 458   and name HN ))
   ( segid W   and resid 458   and name HD1%) 
      4.400     1.300     1.300 peak  1531 weight  0.10000E+01 volume  0.34793E-03 ppm1      8.222 ppm2      0.863 CV     1
 ASSI { 1532}
   (( segid W   and resid 491   and name HE ))
   ( segid W   and resid 458   and name HD1%) 
      4.200     1.200     1.200 peak  1532 weight  0.10000E+01 volume  0.40887E-03 ppm1      8.695 ppm2      0.854 CV     1
 ASSI { 1540}
   (( segid W   and resid 453   and name HA ))
   ( segid W   and resid 453   and name HG2%) 
      3.600     1.100     1.100 peak  1540 weight  0.10000E+01 volume  0.60065E-03 ppm1      4.113 ppm2      0.922 CV     1
 ASSI { 1543}
   (( segid W   and resid 483   and name HD1 ))
   (( segid W   and resid 483   and name HG2 ))
      2.800     1.000     1.000 peak  1543 weight  0.10000E+01 volume  0.16823E-02 ppm1      1.469 ppm2      0.927 CV     1
 OR { 1543}
   (( segid W   and resid 483   and name HD2 ))
   (( segid W   and resid 483   and name HG2 ))
 ASSI { 1545}
   (( segid W   and resid 483   and name HA ))
   (( segid W   and resid 483   and name HG2 ))
      3.000     1.000     1.000 peak  1545 weight  0.10000E+01 volume  0.10519E-02 ppm1      2.311 ppm2      0.930 CV     1
 ASSI { 1548}
   (( segid W   and resid 483   and name HN ))
   (( segid W   and resid 483   and name HG2 ))
      3.500     1.100     1.100 peak  1548 weight  0.10000E+01 volume  0.70311E-03 ppm1      7.148 ppm2      0.926 CV     1
 ASSI { 1549}
   (( segid W   and resid 482   and name HG12)) 
   (( segid W   and resid 482   and name HG11)) 
      1.600     0.600     0.600 peak  1549 weight  0.10000E+01 volume  0.33803E-01 ppm1      0.728 ppm2      0.930 CV     1
 OR { 1549}
   ( segid W   and resid 482   and name HD1%) 
   (( segid W   and resid 482   and name HG11)) 
 ASSI { 1552}
   (( segid W   and resid 484   and name HB1 ))
   (( segid W   and resid 482   and name HG11)) 
      3.400     1.000     1.000 peak  1552 weight  0.10000E+01 volume  0.14337E-02 ppm1      1.491 ppm2      0.931 CV     1
 ASSI { 1555}
   (( segid W   and resid 482   and name HA ))
   (( segid W   and resid 482   and name HG11)) 
      4.600     1.400     1.400 peak  1555 weight  0.10000E+01 volume  0.17001E-03 ppm1      4.352 ppm2      0.926 CV     1
 ASSI { 1557}
   (( segid W   and resid 479   and name HD21)) 
   (( segid W   and resid 482   and name HG11)) 
      4.100     1.100     1.100 peak  1557 weight  0.10000E+01 volume  0.80591E-03 ppm1      7.218 ppm2      0.928 CV     1
 ASSI { 1560}
   (( segid W   and resid 475   and name HB ))
   ( segid W   and resid 475   and name HG1%) 
      2.500     0.800     0.800 peak  1560 weight  0.10000E+01 volume  0.43185E-02 ppm1      1.935 ppm2      0.986 CV     1
 ASSI { 1563}
   (( segid W   and resid 474   and name HA ))
   ( segid W   and resid 475   and name HG1%) 
      4.500     1.200     1.200 peak  1563 weight  0.10000E+01 volume  0.52941E-03 ppm1      4.431 ppm2      0.987 CV     1
 ASSI { 1580}
   (( segid W   and resid 491   and name HG1 ))
   (( segid W   and resid 491   and name HG2 ))
      1.700     0.600     0.600 peak  1580 weight  0.10000E+01 volume  0.22925E-01 ppm1      1.729 ppm2      1.165 CV     1
 ASSI { 1587}
   (( segid W   and resid 461   and name HA ))
   ( segid W   and resid 461   and name HD1%) 
      4.600     1.300     1.300 peak  1587 weight  0.10000E+01 volume  0.31630E-03 ppm1      4.094 ppm2      1.120 CV     1
 ASSI { 1599}
   (( segid W   and resid 469   and name HB ))
   ( segid W   and resid 469   and name HG2%) 
      2.400     0.800     0.800 peak  1599 weight  0.10000E+01 volume  0.59965E-02 ppm1      3.959 ppm2      1.285 CV     1
 ASSI { 1605}
   (( segid W   and resid 469   and name HN ))
   ( segid W   and resid 469   and name HG2%) 
      3.100     1.000     1.000 peak  1605 weight  0.10000E+01 volume  0.11931E-02 ppm1      8.216 ppm2      1.285 CV     1
 ASSI { 1626}
   (( segid W   and resid 485   and name HB ))
   ( segid W   and resid 485   and name HG2%) 
      2.300     0.800     0.800 peak  1626 weight  0.10000E+01 volume  0.65483E-02 ppm1      4.047 ppm2      1.204 CV     1
 ASSI { 1642}
   (( segid W   and resid 492   and name HA ))
   ( segid W   and resid 492   and name HE% )
      4.600     1.400     1.400 peak  1642 weight  0.10000E+01 volume  0.18308E-03 ppm1      4.399 ppm2      2.086 CV     1
 ASSI { 1657}
   (( segid W   and resid 497   and name HG12)) 
   (( segid W   and resid 497   and name HG11)) 
      1.800     0.600     0.600 peak  1657 weight  0.10000E+01 volume  0.21487E-01 ppm1      1.488 ppm2      1.213 CV     1
 ASSI { 1659}
   ( segid W   and resid 497   and name HD1%) 
   (( segid W   and resid 497   and name HG12)) 
      3.200     1.000     1.000 peak  1659 weight  0.10000E+01 volume  0.10886E-02 ppm1      0.875 ppm2      1.490 CV     1
 ASSI { 1662}
   (( segid W   and resid 468   and name HB1 ))
   (( segid W   and resid 468   and name HG1 ))
      3.100     1.000     1.000 peak  1662 weight  0.10000E+01 volume  0.13152E-02 ppm1      0.595 ppm2      1.433 CV     1
 ASSI { 1663}
   (( segid W   and resid 468   and name HB2 ))
   (( segid W   and resid 468   and name HG1 ))
      2.700     1.000     1.000 peak  1663 weight  0.10000E+01 volume  0.18639E-02 ppm1      0.942 ppm2      1.432 CV     1
 ASSI { 1667}
   (( segid W   and resid 468   and name HD1 ))
   (( segid W   and resid 468   and name HG1 ))
      3.300     1.100     1.100 peak  1667 weight  0.10000E+01 volume  0.69523E-03 ppm1      2.923 ppm2      1.433 CV     1
 ASSI { 1681}
   (( segid W   and resid 478   and name HA ))
   (( segid W   and resid 478   and name HG12)) 
      2.600     0.900     0.900 peak  1681 weight  0.10000E+01 volume  0.20111E-02 ppm1      4.344 ppm2      1.327 CV     1
 ASSI { 1683}
   (( segid W   and resid 480   and name HD2 ))
   (( segid W   and resid 478   and name HG12)) 
      3.400     0.900     0.900 peak  1683 weight  0.10000E+01 volume  0.18720E-02 ppm1      6.896 ppm2      1.329 CV     1
 ASSI { 1686}
   (( segid W   and resid 468   and name HB2 ))
   (( segid W   and resid 468   and name HG2 ))
      2.500     0.800     0.800 peak  1686 weight  0.10000E+01 volume  0.47354E-02 ppm1      0.940 ppm2      1.250 CV     1
 ASSI { 1688}
   (( segid W   and resid 468   and name HG1 ))
   (( segid W   and resid 468   and name HG2 ))
      1.700     0.600     0.600 peak  1688 weight  0.10000E+01 volume  0.23848E-01 ppm1      1.426 ppm2      1.249 CV     1
 ASSI { 1694}
   (( segid W   and resid 468   and name HN ))
   (( segid W   and resid 468   and name HG2 ))
      3.700     1.200     1.200 peak  1694 weight  0.10000E+01 volume  0.50335E-03 ppm1      8.345 ppm2      1.249 CV     1
 ASSI { 1696}
   (( segid W   and resid 483   and name HB2 ))
   (( segid W   and resid 483   and name HD1 ))
      2.500     0.800     0.800 peak  1696 weight  0.10000E+01 volume  0.36601E-02 ppm1      0.708 ppm2      1.482 CV     1
 OR { 1696}
   (( segid W   and resid 483   and name HB2 ))
   (( segid W   and resid 483   and name HD2 ))
 ASSI { 1701}
   (( segid W   and resid 483   and name HE2 ))
   (( segid W   and resid 483   and name HD2 ))
      2.800     0.900     0.900 peak  1701 weight  0.10000E+01 volume  0.21276E-02 ppm1      2.940 ppm2      1.476 CV     1
 OR { 1701}
   (( segid W   and resid 483   and name HE1 ))
   (( segid W   and resid 483   and name HD1 ))
 OR { 1701}
   (( segid W   and resid 483   and name HE2 ))
   (( segid W   and resid 483   and name HD1 ))
 ASSI { 1706}
   ( segid W   and resid 482   and name HD1%) 
   (( segid W   and resid 484   and name HB1 ))
      3.600     1.000     1.000 peak  1706 weight  0.10000E+01 volume  0.11356E-02 ppm1      0.730 ppm2      1.489 CV     1
 OR { 1706}
   (( segid W   and resid 482   and name HG12)) 
   (( segid W   and resid 484   and name HB1 ))
 ASSI { 1709}
   (( segid W   and resid 484   and name HB2 ))
   (( segid W   and resid 484   and name HB1 ))
      1.600     0.600     0.600 peak  1709 weight  0.10000E+01 volume  0.34628E-01 ppm1      1.654 ppm2      1.490 CV     1
 ASSI { 1711}
   (( segid W   and resid 484   and name HA ))
   (( segid W   and resid 484   and name HB1 ))
      3.100     1.000     1.000 peak  1711 weight  0.10000E+01 volume  0.14187E-02 ppm1      4.884 ppm2      1.488 CV     1
 ASSI { 1712}
   (( segid W   and resid 484   and name HN ))
   (( segid W   and resid 484   and name HB1 ))
      3.400     1.100     1.100 peak  1712 weight  0.10000E+01 volume  0.73148E-03 ppm1      7.234 ppm2      1.496 CV     1
 ASSI { 1713}
   (( segid W   and resid 485   and name HN ))
   (( segid W   and resid 484   and name HB1 ))
      3.900     1.200     1.200 peak  1713 weight  0.10000E+01 volume  0.41232E-03 ppm1      7.993 ppm2      1.497 CV     1
 ASSI { 1717}
   (( segid W   and resid 461   and name HB2 ))
   (( segid W   and resid 461   and name HB1 ))
      1.700     0.600     0.600 peak  1717 weight  0.10000E+01 volume  0.23070E-01 ppm1      1.800 ppm2      1.435 CV     1
 ASSI { 1722}
   (( segid W   and resid 466   and name HA ))
   (( segid W   and resid 461   and name HB1 ))
      4.400     1.400     1.400 peak  1722 weight  0.10000E+01 volume  0.14907E-03 ppm1      4.810 ppm2      1.426 CV     1
 ASSI { 1724}
   (( segid W   and resid 461   and name HN ))
   (( segid W   and resid 461   and name HB1 ))
      3.300     1.000     1.000 peak  1724 weight  0.10000E+01 volume  0.10777E-02 ppm1      8.694 ppm2      1.433 CV     1
 ASSI { 1727}
   (( segid W   and resid 458   and name HB1 ))
   (( segid W   and resid 458   and name HB2 ))
      1.600     0.600     0.600 peak  1727 weight  0.10000E+01 volume  0.36400E-01 ppm1      1.623 ppm2      1.424 CV     1
 ASSI { 1731}
   (( segid W   and resid 458   and name HN ))
   (( segid W   and resid 458   and name HB2 ))
      3.200     1.100     1.100 peak  1731 weight  0.10000E+01 volume  0.66907E-03 ppm1      8.208 ppm2      1.416 CV     1
 ASSI { 1747}
   (( segid W   and resid 491   and name HG2 ))
   (( segid W   and resid 491   and name HB1 ))
      2.700     1.000     1.000 peak  1747 weight  0.10000E+01 volume  0.14800E-02 ppm1      1.160 ppm2      1.590 CV     1
 ASSI { 1748}
   (( segid W   and resid 458   and name HB2 ))
   (( segid W   and resid 491   and name HB1 ))
      6.000     2.200     0.000 peak  1748 weight  0.10000E+01 volume  0.13413E-04 ppm1      1.406 ppm2      1.585 CV     1
 ASSI { 1749}
   (( segid W   and resid 491   and name HB2 ))
   (( segid W   and resid 491   and name HB1 ))
      1.600     0.600     0.600 peak  1749 weight  0.10000E+01 volume  0.22895E-01 ppm1      1.842 ppm2      1.587 CV     1
 ASSI { 1756}
   (( segid W   and resid 474   and name HB2 ))
   (( segid W   and resid 474   and name HG1 ))
      2.200     0.700     0.700 peak  1756 weight  0.10000E+01 volume  0.93611E-02 ppm1      1.900 ppm2      1.619 CV     1
 OR { 1756}
   (( segid W   and resid 474   and name HB2 ))
   (( segid W   and resid 474   and name HG2 ))
 ASSI { 1764}
   (( segid W   and resid 458   and name HB2 ))
   (( segid W   and resid 458   and name HG ))
      2.600     0.900     0.900 peak  1764 weight  0.10000E+01 volume  0.27889E-02 ppm1      1.421 ppm2      1.611 CV     1
 ASSI { 1766}
   (( segid W   and resid 491   and name HD2 ))
   (( segid W   and resid 458   and name HG ))
      4.800     1.400     1.200 peak  1766 weight  0.10000E+01 volume  0.17494E-03 ppm1      2.756 ppm2      1.598 CV     1
 OR { 1766}
   (( segid W   and resid 491   and name HD1 ))
   (( segid W   and resid 458   and name HG ))
 ASSI { 1767}
   (( segid W   and resid 458   and name HA ))
   (( segid W   and resid 458   and name HG ))
      3.400     1.100     1.100 peak  1767 weight  0.10000E+01 volume  0.71975E-03 ppm1      4.228 ppm2      1.611 CV     1
 ASSI { 1768}
   (( segid W   and resid 457   and name HA ))
   (( segid W   and resid 458   and name HG ))
      6.000     1.900     0.000 peak  1768 weight  0.10000E+01 volume  0.30282E-04 ppm1      4.584 ppm2      1.607 CV     1
 ASSI { 1769}
   (( segid W   and resid 458   and name HN ))
   (( segid W   and resid 458   and name HG ))
      3.000     1.000     1.000 peak  1769 weight  0.10000E+01 volume  0.15364E-02 ppm1      8.211 ppm2      1.611 CV     1
 ASSI { 1772}
   (( segid W   and resid 484   and name HG2 ))
   (( segid W   and resid 484   and name HD1 ))
      2.500     0.800     0.800 peak  1772 weight  0.10000E+01 volume  0.43446E-02 ppm1      1.391 ppm2      1.767 CV     1
 OR { 1772}
   (( segid W   and resid 484   and name HG1 ))
   (( segid W   and resid 484   and name HD1 ))
 ASSI { 1773}
   (( segid W   and resid 484   and name HG1 ))
   (( segid W   and resid 484   and name HD2 ))
      2.600     0.900     0.900 peak  1773 weight  0.10000E+01 volume  0.32269E-02 ppm1      1.401 ppm2      1.694 CV     1
 OR { 1773}
   (( segid W   and resid 484   and name HG2 ))
   (( segid W   and resid 484   and name HD2 ))
 ASSI { 1775}
   (( segid W   and resid 484   and name HD1 ))
   (( segid W   and resid 484   and name HD2 ))
      1.300     0.500     0.900 peak  1775 weight  0.10000E+01 volume  0.15358E+00 ppm1      1.753 ppm2      1.700 CV     1
 ASSI { 1776}
   (( segid W   and resid 488   and name HB1 ))
   (( segid W   and resid 488   and name HB2 ))
      1.800     0.700     0.700 peak  1776 weight  0.10000E+01 volume  0.17789E-01 ppm1      2.035 ppm2      1.743 CV     1
 ASSI { 1777}
   (( segid W   and resid 488   and name HG2 ))
   (( segid W   and resid 488   and name HB2 ))
      2.800     0.900     0.900 peak  1777 weight  0.10000E+01 volume  0.29528E-02 ppm1      2.262 ppm2      1.743 CV     1
 ASSI { 1778}
   (( segid W   and resid 488   and name HG1 ))
   (( segid W   and resid 488   and name HB2 ))
      2.700     0.900     0.900 peak  1778 weight  0.10000E+01 volume  0.24624E-02 ppm1      2.489 ppm2      1.742 CV     1
 ASSI { 1780}
   (( segid W   and resid 487   and name HB2 ))
   (( segid W   and resid 488   and name HB2 ))
      5.500     1.600     0.500 peak  1780 weight  0.10000E+01 volume  0.81763E-04 ppm1      3.614 ppm2      1.752 CV     1
 ASSI { 1782}
   (( segid W   and resid 484   and name HA ))
   (( segid W   and resid 484   and name HD1 ))
      5.200     1.500     0.800 peak  1782 weight  0.10000E+01 volume  0.13364E-03 ppm1      4.866 ppm2      1.757 CV     1
 ASSI { 1783}
   (( segid W   and resid 484   and name HA ))
   (( segid W   and resid 484   and name HD2 ))
      4.300     1.200     1.200 peak  1783 weight  0.10000E+01 volume  0.42244E-03 ppm1      4.882 ppm2      1.709 CV     1
 ASSI { 1785}
   (( segid W   and resid 489   and name HN ))
   (( segid W   and resid 488   and name HB2 ))
      3.800     1.100     1.100 peak  1785 weight  0.10000E+01 volume  0.10179E-02 ppm1      8.317 ppm2      1.747 CV     1
 ASSI { 1787}
   (( segid W   and resid 491   and name HG2 ))
   (( segid W   and resid 491   and name HB2 ))
      3.100     1.000     1.000 peak  1787 weight  0.10000E+01 volume  0.17550E-02 ppm1      1.157 ppm2      1.843 CV     1
 ASSI { 1794}
   (( segid W   and resid 483   and name HG2 ))
   (( segid W   and resid 483   and name HB1 ))
      2.400     0.800     0.800 peak  1794 weight  0.10000E+01 volume  0.48108E-02 ppm1      0.932 ppm2      1.841 CV     1
 ASSI { 1796}
   (( segid W   and resid 483   and name HD1 ))
   (( segid W   and resid 483   and name HB1 ))
      3.500     1.000     1.000 peak  1796 weight  0.10000E+01 volume  0.12470E-02 ppm1      1.473 ppm2      1.840 CV     1
 OR { 1796}
   (( segid W   and resid 483   and name HD2 ))
   (( segid W   and resid 483   and name HB1 ))
 ASSI { 1798}
   (( segid W   and resid 483   and name HA ))
   (( segid W   and resid 483   and name HB1 ))
      2.800     1.000     1.000 peak  1798 weight  0.10000E+01 volume  0.17748E-02 ppm1      2.303 ppm2      1.838 CV     1
 ASSI { 1804}
   ( segid W   and resid 461   and name HD1%) 
   (( segid W   and resid 461   and name HG ))
      2.700     0.900     0.900 peak  1804 weight  0.10000E+01 volume  0.26284E-02 ppm1      1.124 ppm2      1.818 CV     1
 ASSI { 1805}
   (( segid W   and resid 461   and name HB1 ))
   (( segid W   and resid 461   and name HG ))
      2.900     1.000     1.000 peak  1805 weight  0.10000E+01 volume  0.15124E-02 ppm1      1.445 ppm2      1.834 CV     1
 ASSI { 1811}
   (( segid W   and resid 461   and name HN ))
   (( segid W   and resid 461   and name HG ))
      2.900     0.900     0.900 peak  1811 weight  0.10000E+01 volume  0.20092E-02 ppm1      8.691 ppm2      1.823 CV     1
 ASSI { 1812}
   ( segid W   and resid 475   and name HG2%) 
   (( segid W   and resid 467   and name HB2 ))
      2.800     0.900     0.900 peak  1812 weight  0.10000E+01 volume  0.21399E-02 ppm1      0.720 ppm2      1.854 CV     1
 OR { 1812}
   ( segid W   and resid 475   and name HG2%) 
   (( segid W   and resid 467   and name HB1 ))
 ASSI { 1823}
   (( segid W   and resid 492   and name HB2 ))
   (( segid W   and resid 492   and name HB1 ))
      1.600     0.600     0.600 peak  1823 weight  0.10000E+01 volume  0.32342E-01 ppm1      2.152 ppm2      1.931 CV     1
 ASSI { 1824}
   (( segid W   and resid 492   and name HG1 ))
   (( segid W   and resid 492   and name HB1 ))
      1.900     0.600     0.600 peak  1824 weight  0.10000E+01 volume  0.25487E-01 ppm1      2.481 ppm2      1.939 CV     1
 ASSI { 1826}
   ( segid W   and resid 475   and name HG2%) 
   (( segid W   and resid 475   and name HB ))
      2.500     0.800     0.800 peak  1826 weight  0.10000E+01 volume  0.41000E-02 ppm1      0.723 ppm2      1.943 CV     1
 ASSI { 1832}
   (( segid W   and resid 492   and name HA ))
   (( segid W   and resid 492   and name HB1 ))
      3.300     1.000     1.000 peak  1832 weight  0.10000E+01 volume  0.10484E-02 ppm1      4.400 ppm2      1.940 CV     1
 ASSI { 1833}
   (( segid W   and resid 475   and name HA ))
   (( segid W   and resid 475   and name HB ))
      2.700     0.900     0.900 peak  1833 weight  0.10000E+01 volume  0.20765E-02 ppm1      4.818 ppm2      1.945 CV     1
 ASSI { 1837}
   (( segid W   and resid 463   and name HG1 ))
   (( segid W   and resid 463   and name HB2 ))
      2.700     0.800     0.800 peak  1837 weight  0.10000E+01 volume  0.43654E-02 ppm1      2.201 ppm2      2.021 CV     1
 ASSI { 1840}
   (( segid W   and resid 463   and name HD1 ))
   (( segid W   and resid 463   and name HB2 ))
      3.400     1.000     1.000 peak  1840 weight  0.10000E+01 volume  0.16548E-02 ppm1      3.652 ppm2      2.015 CV     1
 ASSI { 1841}
   (( segid W   and resid 463   and name HD2 ))
   (( segid W   and resid 463   and name HB2 ))
      4.100     1.200     1.200 peak  1841 weight  0.10000E+01 volume  0.44233E-03 ppm1      3.915 ppm2      2.018 CV     1
 ASSI { 1845}
   (( segid W   and resid 474   and name HG2 ))
   (( segid W   and resid 474   and name HB1 ))
      2.400     0.800     0.800 peak  1845 weight  0.10000E+01 volume  0.43324E-02 ppm1      1.619 ppm2      2.131 CV     1
 OR { 1845}
   (( segid W   and resid 474   and name HG1 ))
   (( segid W   and resid 474   and name HB1 ))
 ASSI { 1846}
   (( segid W   and resid 474   and name HB2 ))
   (( segid W   and resid 474   and name HB1 ))
      1.900     0.700     0.700 peak  1846 weight  0.10000E+01 volume  0.13001E-01 ppm1      1.897 ppm2      2.133 CV     1
 ASSI { 1847}
   (( segid W   and resid 474   and name HD2 ))
   (( segid W   and resid 474   and name HB1 ))
      3.300     0.900     0.900 peak  1847 weight  0.10000E+01 volume  0.19736E-02 ppm1      2.639 ppm2      2.129 CV     1
 ASSI { 1848}
   (( segid W   and resid 470   and name HB1 ))
   (( segid W   and resid 474   and name HB1 ))
      4.900     1.400     1.100 peak  1848 weight  0.10000E+01 volume  0.21635E-03 ppm1      3.384 ppm2      2.132 CV     1
 ASSI { 1849}
   (( segid W   and resid 470   and name HB2 ))
   (( segid W   and resid 474   and name HB1 ))
      4.300     1.200     1.200 peak  1849 weight  0.10000E+01 volume  0.39709E-03 ppm1      3.950 ppm2      2.126 CV     1
 ASSI { 1851}
   (( segid W   and resid 487   and name HZ3 ))
   (( segid W   and resid 474   and name HB1 ))
      3.000     1.100     1.100 peak  1851 weight  0.10000E+01 volume  0.10232E-02 ppm1      6.871 ppm2      2.127 CV     1
 ASSI { 1854}
   (( segid W   and resid 475   and name HN ))
   (( segid W   and resid 474   and name HB1 ))
      3.800     1.200     1.200 peak  1854 weight  0.10000E+01 volume  0.41762E-03 ppm1      8.459 ppm2      2.144 CV     1
 ASSI { 1863}
   (( segid W   and resid 493   and name HG2 ))
   (( segid W   and resid 493   and name HB2 ))
      2.100     0.700     0.700 peak  1863 weight  0.10000E+01 volume  0.13122E-01 ppm1      2.250 ppm2      2.014 CV     1
 OR { 1863}
   (( segid W   and resid 493   and name HG1 ))
   (( segid W   and resid 493   and name HB2 ))
 ASSI { 1864}
   (( segid W   and resid 493   and name HG1 ))
   (( segid W   and resid 493   and name HB1 ))
      2.200     0.700     0.700 peak  1864 weight  0.10000E+01 volume  0.92404E-02 ppm1      2.250 ppm2      1.910 CV     1
 OR { 1864}
   (( segid W   and resid 493   and name HG2 ))
   (( segid W   and resid 493   and name HB1 ))
 ASSI { 1865}
   (( segid W   and resid 490   and name HA ))
   (( segid W   and resid 493   and name HB2 ))
      4.000     1.300     1.300 peak  1865 weight  0.10000E+01 volume  0.24331E-03 ppm1      3.991 ppm2      2.022 CV     1
 ASSI { 1867}
   (( segid W   and resid 493   and name HA ))
   (( segid W   and resid 493   and name HB1 ))
      3.400     1.100     1.100 peak  1867 weight  0.10000E+01 volume  0.72056E-03 ppm1      4.258 ppm2      1.902 CV     1
 ASSI { 1876}
   (( segid W   and resid 488   and name HG1 ))
   (( segid W   and resid 488   and name HB1 ))
      2.600     0.800     0.800 peak  1876 weight  0.10000E+01 volume  0.45634E-02 ppm1      2.492 ppm2      2.033 CV     1
 ASSI { 1883}
   (( segid W   and resid 460   and name HD2 ))
   (( segid W   and resid 460   and name HG2 ))
      2.200     0.800     0.800 peak  1883 weight  0.10000E+01 volume  0.72458E-02 ppm1      3.589 ppm2      2.004 CV     1
 ASSI { 1885}
   (( segid W   and resid 460   and name HA ))
   (( segid W   and resid 460   and name HG2 ))
      3.500     1.000     1.000 peak  1885 weight  0.10000E+01 volume  0.12175E-02 ppm1      4.515 ppm2      2.008 CV     1
 ASSI { 1886}
   (( segid W   and resid 460   and name HA ))
   (( segid W   and resid 460   and name HG1 ))
      3.700     1.100     1.100 peak  1886 weight  0.10000E+01 volume  0.72441E-03 ppm1      4.520 ppm2      1.952 CV     1
 ASSI { 1888}
   (( segid W   and resid 463   and name HB1 ))
   (( segid W   and resid 463   and name HG1 ))
      2.400     0.800     0.800 peak  1888 weight  0.10000E+01 volume  0.38703E-02 ppm1      2.415 ppm2      2.199 CV     1
 ASSI { 1889}
   (( segid W   and resid 463   and name HB1 ))
   (( segid W   and resid 463   and name HG2 ))
      2.600     0.800     0.800 peak  1889 weight  0.10000E+01 volume  0.66138E-02 ppm1      2.413 ppm2      2.103 CV     1
 ASSI { 1892}
   (( segid W   and resid 463   and name HD1 ))
   (( segid W   and resid 463   and name HG2 ))
      3.300     1.000     1.000 peak  1892 weight  0.10000E+01 volume  0.15718E-02 ppm1      3.654 ppm2      2.102 CV     1
 ASSI { 1893}
   (( segid W   and resid 463   and name HD2 ))
   (( segid W   and resid 463   and name HG1 ))
      3.000     0.900     0.900 peak  1893 weight  0.10000E+01 volume  0.19455E-02 ppm1      3.923 ppm2      2.200 CV     1
 ASSI { 1902}
   (( segid W   and resid 491   and name HD2 ))
   (( segid W   and resid 458   and name HB1 ))
      3.900     1.200     1.200 peak  1902 weight  0.10000E+01 volume  0.43169E-03 ppm1      2.763 ppm2      1.621 CV     1
 OR { 1902}
   (( segid W   and resid 491   and name HD1 ))
   (( segid W   and resid 458   and name HB1 ))
 ASSI { 1903}
   (( segid W   and resid 458   and name HA ))
   (( segid W   and resid 458   and name HB1 ))
      3.200     1.100     1.100 peak  1903 weight  0.10000E+01 volume  0.97672E-03 ppm1      4.231 ppm2      1.620 CV     1
 ASSI { 1905}
   (( segid W   and resid 458   and name HN ))
   (( segid W   and resid 458   and name HB1 ))
      3.600     1.000     1.000 peak  1905 weight  0.10000E+01 volume  0.15591E-02 ppm1      8.214 ppm2      1.627 CV     1
 ASSI { 1906}
   ( segid W   and resid 482   and name HD1%) 
   (( segid W   and resid 484   and name HB2 ))
      3.900     1.100     1.100 peak  1906 weight  0.10000E+01 volume  0.68526E-03 ppm1      0.730 ppm2      1.657 CV     1
 OR { 1906}
   (( segid W   and resid 482   and name HG12)) 
   (( segid W   and resid 484   and name HB2 ))
 ASSI { 1907}
   (( segid W   and resid 482   and name HG11)) 
   (( segid W   and resid 484   and name HB2 ))
      3.500     1.300     1.300 peak  1907 weight  0.10000E+01 volume  0.35539E-03 ppm1      0.936 ppm2      1.660 CV     1
 ASSI { 1911}
   (( segid W   and resid 484   and name HA ))
   (( segid W   and resid 484   and name HB2 ))
      3.100     1.000     1.000 peak  1911 weight  0.10000E+01 volume  0.11013E-02 ppm1      4.886 ppm2      1.658 CV     1
 ASSI { 1914}
   ( segid W   and resid 461   and name HD2%) 
   (( segid W   and resid 461   and name HB2 ))
      3.300     1.100     1.100 peak  1914 weight  0.10000E+01 volume  0.65061E-03 ppm1      0.783 ppm2      1.802 CV     1
 ASSI { 1918}
   (( segid W   and resid 462   and name HD2 ))
   (( segid W   and resid 461   and name HB2 ))
      3.200     1.200     1.200 peak  1918 weight  0.10000E+01 volume  0.52362E-03 ppm1      2.755 ppm2      1.797 CV     1
 ASSI { 1919}
   (( segid W   and resid 465   and name HB2 ))
   (( segid W   and resid 461   and name HB2 ))
      4.100     1.300     1.300 peak  1919 weight  0.10000E+01 volume  0.29129E-03 ppm1      3.132 ppm2      1.800 CV     1
 ASSI { 1920}
   (( segid W   and resid 465   and name HB1 ))
   (( segid W   and resid 461   and name HB2 ))
      2.900     1.000     1.000 peak  1920 weight  0.10000E+01 volume  0.15662E-02 ppm1      3.362 ppm2      1.801 CV     1
 ASSI { 1923}
   (( segid W   and resid 466   and name HA ))
   (( segid W   and resid 461   and name HB2 ))
      4.400     1.300     1.300 peak  1923 weight  0.10000E+01 volume  0.28480E-03 ppm1      4.817 ppm2      1.794 CV     1
 ASSI { 1924}
   ( segid W   and resid 475   and name HG2%) 
   (( segid W   and resid 467   and name HG1 ))
      4.000     1.300     1.300 peak  1924 weight  0.10000E+01 volume  0.34228E-03 ppm1      0.731 ppm2      1.911 CV     1
 ASSI { 1927}
   ( segid W   and resid 461   and name HD1%) 
   (( segid W   and resid 467   and name HG1 ))
      5.000     1.300     1.000 peak  1927 weight  0.10000E+01 volume  0.26097E-03 ppm1      1.130 ppm2      1.922 CV     1
 ASSI { 1930}
   (( segid W   and resid 467   and name HA ))
   (( segid W   and resid 467   and name HG1 ))
      3.600     1.000     1.000 peak  1930 weight  0.10000E+01 volume  0.10837E-02 ppm1      4.770 ppm2      1.933 CV     1
 ASSI { 1931}
   (( segid W   and resid 467   and name HA ))
   (( segid W   and resid 467   and name HG2 ))
      3.300     1.000     1.000 peak  1931 weight  0.10000E+01 volume  0.12057E-02 ppm1      4.768 ppm2      1.812 CV     1
 ASSI { 1935}
   (( segid W   and resid 468   and name HN ))
   (( segid W   and resid 467   and name HG1 ))
      4.400     1.300     1.300 peak  1935 weight  0.10000E+01 volume  0.25126E-03 ppm1      8.339 ppm2      1.933 CV     1
 ASSI { 1939}
   ( segid W   and resid 482   and name HG2%) 
   (( segid W   and resid 482   and name HB ))
      2.300     0.700     0.700 peak  1939 weight  0.10000E+01 volume  0.79895E-02 ppm1      0.732 ppm2      1.931 CV     1
 OR { 1939}
   ( segid W   and resid 482   and name HD1%) 
   (( segid W   and resid 482   and name HB ))
 ASSI { 1940}
   (( segid W   and resid 482   and name HG11)) 
   (( segid W   and resid 482   and name HB ))
      2.800     1.000     1.000 peak  1940 weight  0.10000E+01 volume  0.18115E-02 ppm1      0.942 ppm2      1.933 CV     1
 ASSI { 1954}
   (( segid W   and resid 478   and name HB ))
   (( segid W   and resid 466   and name HB1 ))
      4.100     1.200     1.200 peak  1954 weight  0.10000E+01 volume  0.52472E-03 ppm1      1.493 ppm2      2.144 CV     1
 ASSI { 1957}
   (( segid W   and resid 466   and name HA ))
   (( segid W   and resid 466   and name HB1 ))
      3.100     1.000     1.000 peak  1957 weight  0.10000E+01 volume  0.13428E-02 ppm1      4.789 ppm2      2.132 CV     1
 ASSI { 1961}
   (( segid W   and resid 467   and name HN ))
   (( segid W   and resid 466   and name HB1 ))
      3.500     1.200     1.200 peak  1961 weight  0.10000E+01 volume  0.47647E-03 ppm1      8.778 ppm2      2.137 CV     1
 ASSI { 1962}
   (( segid W   and resid 467   and name HN ))
   (( segid W   and resid 466   and name HB2 ))
      4.800     1.400     1.200 peak  1962 weight  0.10000E+01 volume  0.22697E-03 ppm1      8.775 ppm2      2.034 CV     1
 ASSI { 1968}
   (( segid W   and resid 482   and name HG11)) 
   (( segid W   and resid 479   and name HB2 ))
      4.400     1.200     1.200 peak  1968 weight  0.10000E+01 volume  0.38270E-03 ppm1      0.913 ppm2      2.067 CV     1
 ASSI { 1971}
   (( segid W   and resid 466   and name HG1 ))
   (( segid W   and resid 466   and name HG2 ))
      1.700     0.600     0.600 peak  1971 weight  0.10000E+01 volume  0.26587E-01 ppm1      2.423 ppm2      2.220 CV     1
 ASSI { 1977}
   (( segid W   and resid 488   and name HB1 ))
   (( segid W   and resid 488   and name HG2 ))
      2.500     0.800     0.800 peak  1977 weight  0.10000E+01 volume  0.37955E-02 ppm1      2.036 ppm2      2.258 CV     1
 ASSI { 1979}
   (( segid W   and resid 488   and name HG1 ))
   (( segid W   and resid 488   and name HG2 ))
      1.700     0.600     0.600 peak  1979 weight  0.10000E+01 volume  0.33519E-01 ppm1      2.490 ppm2      2.263 CV     1
 ASSI { 1984}
   (( segid W   and resid 489   and name HB1 ))
   (( segid W   and resid 489   and name HB2 ))
      1.700     0.600     0.600 peak  1984 weight  0.10000E+01 volume  0.27571E-01 ppm1      2.572 ppm2      2.253 CV     1
 ASSI { 1986}
   (( segid W   and resid 489   and name HA ))
   (( segid W   and resid 489   and name HB2 ))
      2.600     0.800     0.800 peak  1986 weight  0.10000E+01 volume  0.49289E-02 ppm1      2.890 ppm2      2.253 CV     1
 ASSI { 1988}
   (( segid W   and resid 492   and name HN ))
   (( segid W   and resid 489   and name HB2 ))
      3.100     1.000     1.000 peak  1988 weight  0.10000E+01 volume  0.17052E-02 ppm1      7.324 ppm2      2.252 CV     1
 ASSI { 1989}
   (( segid W   and resid 489   and name HN ))
   (( segid W   and resid 489   and name HB2 ))
      2.500     0.800     0.800 peak  1989 weight  0.10000E+01 volume  0.37317E-02 ppm1      8.316 ppm2      2.252 CV     1
 ASSI { 1993}
   (( segid W   and resid 490   and name HA ))
   (( segid W   and resid 493   and name HG2 ))
      4.000     1.300     1.300 peak  1993 weight  0.10000E+01 volume  0.34144E-03 ppm1      3.993 ppm2      2.248 CV     1
 OR { 1993}
   (( segid W   and resid 490   and name HA ))
   (( segid W   and resid 493   and name HG1 ))
 ASSI { 2000}
   (( segid W   and resid 480   and name HD2 ))
   (( segid W   and resid 466   and name HG1 ))
      5.000     1.600     1.000 peak  2000 weight  0.10000E+01 volume  0.94662E-04 ppm1      6.911 ppm2      2.419 CV     1
 ASSI { 2007}
   (( segid W   and resid 486   and name HE22)) 
   (( segid W   and resid 488   and name HG1 ))
      5.800     1.700     0.200 peak  2007 weight  0.10000E+01 volume  0.57071E-04 ppm1      7.133 ppm2      2.480 CV     1
 ASSI { 2010}
   (( segid W   and resid 488   and name HN ))
   (( segid W   and resid 488   and name HG1 ))
      4.200     1.300     1.300 peak  2010 weight  0.10000E+01 volume  0.34425E-03 ppm1      8.653 ppm2      2.489 CV     1
 ASSI { 2015}
   (( segid W   and resid 488   and name HA ))
   (( segid W   and resid 489   and name HB1 ))
      4.500     1.300     1.300 peak  2015 weight  0.10000E+01 volume  0.29364E-03 ppm1      4.171 ppm2      2.579 CV     1
 ASSI { 2016}
   (( segid W   and resid 492   and name HN ))
   (( segid W   and resid 489   and name HB1 ))
      3.300     1.100     1.100 peak  2016 weight  0.10000E+01 volume  0.83951E-03 ppm1      7.317 ppm2      2.566 CV     1
 ASSI { 2020}
   (( segid W   and resid 472   and name HB1 ))
   (( segid W   and resid 472   and name HB2 ))
      1.600     0.600     0.600 peak  2020 weight  0.10000E+01 volume  0.35436E-01 ppm1      3.084 ppm2      2.532 CV     1
 ASSI { 2023}
   (( segid W   and resid 474   and name HG2 ))
   (( segid W   and resid 474   and name HD1 ))
      2.200     0.700     0.700 peak  2023 weight  0.10000E+01 volume  0.85916E-02 ppm1      1.620 ppm2      2.678 CV     1
 OR { 2023}
   (( segid W   and resid 474   and name HG1 ))
   (( segid W   and resid 474   and name HD1 ))
 ASSI { 2024}
   (( segid W   and resid 474   and name HG1 ))
   (( segid W   and resid 474   and name HD2 ))
      2.500     0.800     0.800 peak  2024 weight  0.10000E+01 volume  0.38760E-02 ppm1      1.622 ppm2      2.636 CV     1
 OR { 2024}
   (( segid W   and resid 474   and name HG2 ))
   (( segid W   and resid 474   and name HD2 ))
 ASSI { 2025}
   (( segid W   and resid 474   and name HB2 ))
   (( segid W   and resid 474   and name HD1 ))
      2.500     0.900     0.900 peak  2025 weight  0.10000E+01 volume  0.28466E-02 ppm1      1.898 ppm2      2.679 CV     1
 ASSI { 2026}
   (( segid W   and resid 474   and name HB2 ))
   (( segid W   and resid 474   and name HD2 ))
      2.900     1.000     1.000 peak  2026 weight  0.10000E+01 volume  0.13345E-02 ppm1      1.896 ppm2      2.641 CV     1
 ASSI { 2027}
   (( segid W   and resid 474   and name HB1 ))
   (( segid W   and resid 474   and name HD1 ))
      3.100     1.000     1.000 peak  2027 weight  0.10000E+01 volume  0.13492E-02 ppm1      2.121 ppm2      2.685 CV     1
 ASSI { 2030}
   (( segid W   and resid 474   and name HD1 ))
   (( segid W   and resid 474   and name HD2 ))
      1.400     0.500     0.800 peak  2030 weight  0.10000E+01 volume  0.91455E-01 ppm1      2.662 ppm2      2.637 CV     1
 ASSI { 2032}
   (( segid W   and resid 474   and name HA ))
   (( segid W   and resid 474   and name HD1 ))
      4.200     1.200     1.200 peak  2032 weight  0.10000E+01 volume  0.50666E-03 ppm1      4.429 ppm2      2.661 CV     1
 ASSI { 2041}
   (( segid W   and resid 481   and name HB1 ))
   (( segid W   and resid 481   and name HB2 ))
      1.600     0.600     0.600 peak  2041 weight  0.10000E+01 volume  0.41752E-01 ppm1      2.952 ppm2      2.723 CV     1
 ASSI { 2044}
   (( segid W   and resid 482   and name HG12)) 
   (( segid W   and resid 481   and name HB2 ))
      3.100     1.100     1.100 peak  2044 weight  0.10000E+01 volume  0.92488E-03 ppm1      0.721 ppm2      2.725 CV     1
 OR { 2044}
   ( segid W   and resid 482   and name HG2%) 
   (( segid W   and resid 481   and name HB2 ))
 ASSI { 2045}
   ( segid W   and resid 482   and name HG2%) 
   (( segid W   and resid 481   and name HB1 ))
      3.300     1.000     1.000 peak  2045 weight  0.10000E+01 volume  0.14792E-02 ppm1      0.726 ppm2      2.947 CV     1
 OR { 2045}
   (( segid W   and resid 482   and name HG12)) 
   (( segid W   and resid 481   and name HB1 ))
 ASSI { 2049}
   (( segid W   and resid 481   and name HA ))
   (( segid W   and resid 481   and name HB1 ))
      2.800     0.900     0.900 peak  2049 weight  0.10000E+01 volume  0.20294E-02 ppm1      4.377 ppm2      2.948 CV     1
 ASSI { 2060}
   (( segid W   and resid 483   and name HG1 ))
   (( segid W   and resid 483   and name HE2 ))
      3.100     1.000     1.000 peak  2060 weight  0.10000E+01 volume  0.13020E-02 ppm1      0.701 ppm2      2.954 CV     1
 OR { 2060}
   (( segid W   and resid 483   and name HG1 ))
   (( segid W   and resid 483   and name HE1 ))
 ASSI { 2069}
   (( segid W   and resid 468   and name HB2 ))
   (( segid W   and resid 468   and name HD1 ))
      4.200     1.100     1.100 peak  2069 weight  0.10000E+01 volume  0.76231E-03 ppm1      0.944 ppm2      2.915 CV     1
 ASSI { 2070}
   (( segid W   and resid 468   and name HG2 ))
   (( segid W   and resid 468   and name HD1 ))
      2.900     1.000     1.000 peak  2070 weight  0.10000E+01 volume  0.15299E-02 ppm1      1.247 ppm2      2.925 CV     1
 ASSI { 2086}
   (( segid W   and resid 462   and name HB1 ))
   (( segid W   and resid 465   and name HB1 ))
      6.000     1.600     0.000 peak  2086 weight  0.10000E+01 volume  0.76071E-04 ppm1      2.528 ppm2      3.368 CV     1
 ASSI { 2087}
   (( segid W   and resid 462   and name HD2 ))
   (( segid W   and resid 465   and name HB1 ))
      3.300     1.100     1.100 peak  2087 weight  0.10000E+01 volume  0.81779E-03 ppm1      2.760 ppm2      3.370 CV     1
 ASSI { 2089}
   (( segid W   and resid 469   and name HA ))
   (( segid W   and resid 470   and name HB1 ))
      5.400     1.500     0.600 peak  2089 weight  0.10000E+01 volume  0.14575E-03 ppm1      4.719 ppm2      3.367 CV     1
 ASSI { 2090}
   (( segid W   and resid 474   and name HN ))
   (( segid W   and resid 470   and name HB1 ))
      3.800     1.300     1.300 peak  2090 weight  0.10000E+01 volume  0.29217E-03 ppm1      8.209 ppm2      3.359 CV     1
 ASSI { 2094}
   (( segid W   and resid 486   and name HA ))
   (( segid W   and resid 486   and name HB1 ))
      2.800     0.900     0.900 peak  2094 weight  0.10000E+01 volume  0.21776E-02 ppm1      4.801 ppm2      2.549 CV     1
 OR { 2094}
   (( segid W   and resid 486   and name HA ))
   (( segid W   and resid 486   and name HB2 ))
 ASSI { 2095}
   (( segid W   and resid 486   and name HE21)) 
   (( segid W   and resid 486   and name HB2 ))
      3.800     1.200     1.200 peak  2095 weight  0.10000E+01 volume  0.43330E-03 ppm1      8.310 ppm2      2.542 CV     1
 OR { 2095}
   (( segid W   and resid 486   and name HE21)) 
   (( segid W   and resid 486   and name HB1 ))
 ASSI { 2096}
   (( segid W   and resid 488   and name HN ))
   (( segid W   and resid 486   and name HB2 ))
      3.700     1.200     1.200 peak  2096 weight  0.10000E+01 volume  0.39769E-03 ppm1      8.646 ppm2      2.550 CV     1
 OR { 2096}
   (( segid W   and resid 488   and name HN ))
   (( segid W   and resid 486   and name HB1 ))
 ASSI { 2107}
   (( segid W   and resid 492   and name HA ))
   (( segid W   and resid 492   and name HG1 ))
      3.300     1.100     1.100 peak  2107 weight  0.10000E+01 volume  0.90071E-03 ppm1      4.392 ppm2      2.475 CV     1
 ASSI { 2108}
   (( segid W   and resid 492   and name HN ))
   (( segid W   and resid 492   and name HG1 ))
      4.300     1.200     1.200 peak  2108 weight  0.10000E+01 volume  0.41149E-03 ppm1      7.310 ppm2      2.478 CV     1
 ASSI { 2115}
   (( segid W   and resid 460   and name HG2 ))
   (( segid W   and resid 459   and name HA1 ))
      4.600     1.200     1.200 peak  2115 weight  0.10000E+01 volume  0.42389E-03 ppm1      2.019 ppm2      4.169 CV     1
 ASSI { 2119}
   (( segid W   and resid 460   and name HA ))
   (( segid W   and resid 459   and name HA1 ))
      4.100     1.300     1.300 peak  2119 weight  0.10000E+01 volume  0.31929E-03 ppm1      4.514 ppm2      4.174 CV     1
 ASSI { 2120}
   (( segid W   and resid 459   and name HN ))
   (( segid W   and resid 459   and name HA1 ))
      3.000     0.900     0.900 peak  2120 weight  0.10000E+01 volume  0.21006E-02 ppm1      8.147 ppm2      4.173 CV     1
 ASSI { 2122}
   (( segid W   and resid 490   and name HG1 ))
   (( segid W   and resid 489   and name HA ))
      4.900     1.300     1.100 peak  2122 weight  0.10000E+01 volume  0.33694E-03 ppm1      0.565 ppm2      2.884 CV     1
 ASSI { 2125}
   (( segid W   and resid 489   and name HB1 ))
   (( segid W   and resid 489   and name HA ))
      2.100     0.700     0.700 peak  2125 weight  0.10000E+01 volume  0.92407E-02 ppm1      2.577 ppm2      2.896 CV     1
 ASSI { 2127}
   (( segid W   and resid 477   and name HB1 ))
   (( segid W   and resid 489   and name HA ))
      5.500     1.500     0.500 peak  2127 weight  0.10000E+01 volume  0.10329E-03 ppm1      3.060 ppm2      2.896 CV     1
 ASSI { 2134}
   (( segid W   and resid 483   and name HG1 ))
   (( segid W   and resid 483   and name HA ))
      2.600     0.800     0.800 peak  2134 weight  0.10000E+01 volume  0.58623E-02 ppm1      0.701 ppm2      2.314 CV     1
 OR { 2134}
   (( segid W   and resid 483   and name HB2 ))
   (( segid W   and resid 483   and name HA ))
 ASSI { 2140}
   (( segid W   and resid 482   and name HN ))
   (( segid W   and resid 483   and name HA ))
      5.200     1.500     0.800 peak  2140 weight  0.10000E+01 volume  0.13502E-03 ppm1      6.292 ppm2      2.309 CV     1
 ASSI { 2144}
   ( segid W   and resid 458   and name HD1%) 
   (( segid W   and resid 491   and name HA ))
      3.600     1.200     1.200 peak  2144 weight  0.10000E+01 volume  0.52671E-03 ppm1      0.846 ppm2      3.908 CV     1
 ASSI { 2145}
   (( segid W   and resid 491   and name HG2 ))
   (( segid W   and resid 491   and name HA ))
      3.300     1.000     1.000 peak  2145 weight  0.10000E+01 volume  0.14321E-02 ppm1      1.164 ppm2      3.912 CV     1
 ASSI { 2146}
   (( segid W   and resid 491   and name HB1 ))
   (( segid W   and resid 491   and name HA ))
      2.700     0.900     0.900 peak  2146 weight  0.10000E+01 volume  0.22499E-02 ppm1      1.596 ppm2      3.911 CV     1
 ASSI { 2147}
   (( segid W   and resid 491   and name HB2 ))
   (( segid W   and resid 491   and name HA ))
      2.400     0.800     0.800 peak  2147 weight  0.10000E+01 volume  0.60087E-02 ppm1      1.838 ppm2      3.914 CV     1
 ASSI { 2148}
   (( segid W   and resid 462   and name HG1 ))
   (( segid W   and resid 491   and name HA ))
      2.200     0.800     0.800 peak  2148 weight  0.10000E+01 volume  0.72617E-02 ppm1      1.734 ppm2      3.913 CV     1
 ASSI { 2152}
   (( segid W   and resid 494   and name HD22)) 
   (( segid W   and resid 491   and name HA ))
      4.200     1.400     1.400 peak  2152 weight  0.10000E+01 volume  0.22514E-03 ppm1      7.541 ppm2      3.917 CV     1
 ASSI { 2154}
   (( segid W   and resid 461   and name HB2 ))
   (( segid W   and resid 460   and name HA ))
      3.800     1.200     1.200 peak  2154 weight  0.10000E+01 volume  0.58586E-03 ppm1      1.794 ppm2      4.514 CV     1
 ASSI { 2157}
   (( segid W   and resid 469   and name HA ))
   (( segid W   and resid 469   and name HB ))
      2.700     0.900     0.900 peak  2157 weight  0.10000E+01 volume  0.23153E-02 ppm1      4.724 ppm2      3.961 CV     1
 ASSI { 2159}
   (( segid W   and resid 470   and name HN ))
   (( segid W   and resid 469   and name HB ))
      3.700     1.200     1.200 peak  2159 weight  0.10000E+01 volume  0.53160E-03 ppm1      9.811 ppm2      3.966 CV     1
 ASSI { 2176}
   (( segid W   and resid 474   and name HG2 ))
   (( segid W   and resid 487   and name HE3 ))
      6.000     1.800     0.000 peak  2176 weight  0.10000E+01 volume  0.34953E-04 ppm1      1.599 ppm2      8.317 CV     1
 OR { 2176}
   (( segid W   and resid 474   and name HG1 ))
   (( segid W   and resid 487   and name HE3 ))
 ASSI { 2182}
   (( segid W   and resid 466   and name HB1 ))
   (( segid W   and resid 465   and name HE3 ))
      4.900     1.400     1.100 peak  2182 weight  0.10000E+01 volume  0.17883E-03 ppm1      2.120 ppm2      7.466 CV     1
 ASSI { 2184}
   (( segid W   and resid 490   and name HB1 ))
   (( segid W   and resid 465   and name HE3 ))
      5.800     1.700     0.200 peak  2184 weight  0.10000E+01 volume  0.51834E-04 ppm1      0.886 ppm2      7.471 CV     1
 OR { 2184}
   (( segid W   and resid 490   and name HB2 ))
   (( segid W   and resid 465   and name HE3 ))
 ASSI { 2190}
   (( segid W   and resid 486   and name HA ))
   (( segid W   and resid 487   and name HD1 ))
      5.100     1.500     0.900 peak  2190 weight  0.10000E+01 volume  0.11796E-03 ppm1      4.792 ppm2      7.423 CV     1
 ASSI { 2201}
   (( segid W   and resid 484   and name HB1 ))
   (( segid W   and resid 465   and name HH2 ))
      4.900     1.600     1.100 peak  2201 weight  0.10000E+01 volume  0.70306E-04 ppm1      1.468 ppm2      7.132 CV     1
 ASSI { 2202}
   (( segid W   and resid 479   and name HB2 ))
   (( segid W   and resid 465   and name HH2 ))
      6.000     1.900     0.000 peak  2202 weight  0.10000E+01 volume  0.28791E-04 ppm1      2.100 ppm2      7.127 CV     1
 ASSI { 2203}
   (( segid W   and resid 490   and name HB1 ))
   (( segid W   and resid 465   and name HH2 ))
      3.500     1.200     1.200 peak  2203 weight  0.10000E+01 volume  0.57992E-03 ppm1      0.868 ppm2      7.125 CV     1
 OR { 2203}
   (( segid W   and resid 490   and name HB2 ))
   (( segid W   and resid 465   and name HH2 ))
 ASSI { 2204}
   (( segid W   and resid 479   and name HB1 ))
   (( segid W   and resid 465   and name HH2 ))
      3.800     1.300     1.300 peak  2204 weight  0.10000E+01 volume  0.32128E-03 ppm1      0.120 ppm2      7.135 CV     1
 ASSI { 2211}
   ( segid W   and resid 478   and name HG2%) 
   (( segid W   and resid 480   and name HD2 ))
      3.800     1.300     1.300 peak  2211 weight  0.10000E+01 volume  0.34869E-03 ppm1      0.262 ppm2      6.901 CV     1
 ASSI { 2212}
   (( segid W   and resid 466   and name HB1 ))
   (( segid W   and resid 480   and name HD2 ))
      4.000     1.100     1.100 peak  2212 weight  0.10000E+01 volume  0.82700E-03 ppm1      2.142 ppm2      6.901 CV     1
 ASSI { 2223}
   (( segid W   and resid 461   and name HN ))
   (( segid W   and resid 461   and name HB2 ))
      3.000     0.900     0.900 peak  2223 weight  0.10000E+01 volume  0.29457E-02 ppm1      8.693 ppm2      1.798 CV     1
 ASSI { 2226}
   (( segid W   and resid 461   and name HB1 ))
   (( segid W   and resid 465   and name HB2 ))
      3.100     1.000     1.000 peak  2226 weight  0.10000E+01 volume  0.13054E-02 ppm1      1.426 ppm2      3.125 CV     1
 ASSI { 2231}
   (( segid W   and resid 479   and name HA ))
   (( segid W   and resid 465   and name HB2 ))
      4.700     1.300     1.300 peak  2231 weight  0.10000E+01 volume  0.26651E-03 ppm1      3.954 ppm2      3.147 CV     1
 ASSI { 2238}
   ( segid W   and resid 476   and name HE% )
   (( segid W   and resid 468   and name HB1 ))
      3.500     1.100     1.100 peak  2238 weight  0.10000E+01 volume  0.60951E-03 ppm1      6.875 ppm2      0.599 CV     1
 ASSI { 2243}
   (( segid W   and resid 467   and name HA ))
   (( segid W   and resid 468   and name HB2 ))
      5.500     1.500     0.500 peak  2243 weight  0.10000E+01 volume  0.12766E-03 ppm1      4.769 ppm2      0.939 CV     1
 ASSI { 2254}
   (( segid W   and resid 468   and name HB1 ))
   (( segid W   and resid 468   and name HB2 ))
      1.800     0.600     0.600 peak  2254 weight  0.10000E+01 volume  0.18678E-01 ppm1      0.599 ppm2      0.936 CV     1
 ASSI { 2258}
   (( segid W   and resid 468   and name HG2 ))
   (( segid W   and resid 468   and name HB1 ))
      2.800     0.900     0.900 peak  2258 weight  0.10000E+01 volume  0.26828E-02 ppm1      1.244 ppm2      0.599 CV     1
 ASSI { 2263}
   (( segid W   and resid 475   and name HN ))
   (( segid W   and resid 474   and name HB2 ))
      3.900     1.100     1.100 peak  2263 weight  0.10000E+01 volume  0.62648E-03 ppm1      8.460 ppm2      1.900 CV     1
 ASSI { 2266}
   (( segid W   and resid 487   and name HZ3 ))
   (( segid W   and resid 474   and name HB2 ))
      3.200     1.100     1.100 peak  2266 weight  0.10000E+01 volume  0.10145E-02 ppm1      6.884 ppm2      1.913 CV     1
 ASSI { 2268}
   (( segid W   and resid 470   and name HB2 ))
   (( segid W   and resid 474   and name HB2 ))
      4.100     1.300     1.300 peak  2268 weight  0.10000E+01 volume  0.32392E-03 ppm1      3.946 ppm2      1.923 CV     1
 ASSI { 2273}
   (( segid W   and resid 460   and name HB1 ))
   (( segid W   and resid 460   and name HB2 ))
      1.600     0.600     0.600 peak  2273 weight  0.10000E+01 volume  0.40992E-01 ppm1      2.290 ppm2      1.948 CV     1
 ASSI { 2274}
   (( segid W   and resid 474   and name HE ))
   (( segid W   and resid 474   and name HD2 ))
      3.900     1.300     1.300 peak  2274 weight  0.10000E+01 volume  0.28809E-03 ppm1      7.298 ppm2      2.640 CV     1
 ASSI { 2276}
   (( segid W   and resid 487   and name HE3 ))
   (( segid W   and resid 476   and name HA ))
      3.500     1.100     1.100 peak  2276 weight  0.10000E+01 volume  0.61214E-03 ppm1      8.330 ppm2      5.161 CV     1
 ASSI { 2279}
   ( segid W   and resid 476   and name HD% )
   (( segid W   and resid 476   and name HA ))
      3.900     1.100     1.100 peak  2279 weight  0.10000E+01 volume  0.65117E-03 ppm1      6.929 ppm2      5.153 CV     1
 ASSI { 2281}
   (( segid W   and resid 477   and name HB2 ))
   (( segid W   and resid 476   and name HA ))
      4.500     1.300     1.300 peak  2281 weight  0.10000E+01 volume  0.26045E-03 ppm1      3.293 ppm2      5.149 CV     1
 ASSI { 2289}
   (( segid W   and resid 480   and name HA ))
   (( segid W   and resid 480   and name HB1 ))
      3.000     1.000     1.000 peak  2289 weight  0.10000E+01 volume  0.13950E-02 ppm1      4.193 ppm2      3.226 CV     1
 ASSI { 2290}
   (( segid W   and resid 480   and name HB2 ))
   (( segid W   and resid 480   and name HB1 ))
      1.500     0.500     0.700 peak  2290 weight  0.10000E+01 volume  0.56677E-01 ppm1      3.106 ppm2      3.226 CV     1
 ASSI { 2306}
   (( segid W   and resid 489   and name HN ))
   (( segid W   and resid 488   and name HB1 ))
      3.000     1.000     1.000 peak  2306 weight  0.10000E+01 volume  0.13456E-02 ppm1      8.315 ppm2      2.041 CV     1
 ASSI { 2309}
   (( segid W   and resid 490   and name HG1 ))
   (( segid W   and resid 490   and name HB1 ))
      2.300     0.800     0.800 peak  2309 weight  0.10000E+01 volume  0.58213E-02 ppm1      0.562 ppm2      0.896 CV     1
 OR { 2309}
   (( segid W   and resid 490   and name HG1 ))
   (( segid W   and resid 490   and name HB2 ))
 ASSI { 2315}
   (( segid W   and resid 490   and name HD1 ))
   (( segid W   and resid 490   and name HB1 ))
      3.300     1.000     1.000 peak  2315 weight  0.10000E+01 volume  0.12631E-02 ppm1      2.733 ppm2      0.895 CV     1
 OR { 2315}
   (( segid W   and resid 490   and name HD2 ))
   (( segid W   and resid 490   and name HB1 ))
 OR { 2315}
   (( segid W   and resid 490   and name HD2 ))
   (( segid W   and resid 490   and name HB2 ))
 OR { 2315}
   (( segid W   and resid 490   and name HD1 ))
   (( segid W   and resid 490   and name HB2 ))
 ASSI { 2316}
   (( segid W   and resid 477   and name HB2 ))
   (( segid W   and resid 490   and name HB1 ))
      6.000     1.800     0.000 peak  2316 weight  0.10000E+01 volume  0.46964E-04 ppm1      3.300 ppm2      0.866 CV     1
 OR { 2316}
   (( segid W   and resid 477   and name HB2 ))
   (( segid W   and resid 490   and name HB2 ))
 ASSI { 2320}
   (( segid W   and resid 492   and name HN ))
   (( segid W   and resid 490   and name HB2 ))
      6.000     1.900     0.000 peak  2320 weight  0.10000E+01 volume  0.26741E-04 ppm1      7.324 ppm2      0.898 CV     1
 OR { 2320}
   (( segid W   and resid 492   and name HN ))
   (( segid W   and resid 490   and name HB1 ))
 ASSI { 2322}
   (( segid W   and resid 486   and name HE21)) 
   (( segid W   and resid 490   and name HB1 ))
      5.000     1.500     1.000 peak  2322 weight  0.10000E+01 volume  0.12465E-03 ppm1      8.299 ppm2      0.893 CV     1
 OR { 2322}
   (( segid W   and resid 486   and name HE21)) 
   (( segid W   and resid 490   and name HB2 ))
 ASSI { 2327}
   ( segid W   and resid 477   and name HE% )
   (( segid W   and resid 490   and name HD2 ))
      3.500     1.100     1.100 peak  2327 weight  0.10000E+01 volume  0.67286E-03 ppm1      7.338 ppm2      2.729 CV     1
 OR { 2327}
   ( segid W   and resid 477   and name HE% )
   (( segid W   and resid 490   and name HD1 ))
 ASSI { 2330}
   (( segid W   and resid 491   and name HB2 ))
   (( segid W   and resid 492   and name HA ))
      4.000     1.300     1.300 peak  2330 weight  0.10000E+01 volume  0.22983E-03 ppm1      1.822 ppm2      4.404 CV     1
 ASSI { 2345}
   (( segid W   and resid 463   and name HG2 ))
   (( segid W   and resid 463   and name HA ))
      3.200     0.900     0.900 peak  2345 weight  0.10000E+01 volume  0.19097E-02 ppm1      2.090 ppm2      4.484 CV     1
 ASSI {    1}
   (( segid B   and resid 620   and name HN ))
   (( segid B   and resid 621   and name HN ))
      2.900     1.000     1.000 peak     1 weight  0.10000E+01 volume  0.19148E-02 ppm1      7.835 ppm2      6.984 CV     1
 ASSI {    8}
   (( segid B   and resid 620   and name HA ))
   (( segid B   and resid 621   and name HN ))
      3.700     1.200     1.200 peak     8 weight  0.10000E+01 volume  0.62676E-03 ppm1      4.522 ppm2      6.985 CV     1
 ASSI {    9}
   (( segid B   and resid 619   and name HA ))
   (( segid B   and resid 621   and name HN ))
      3.900     1.200     1.200 peak     9 weight  0.10000E+01 volume  0.46133E-03 ppm1      4.446 ppm2      6.979 CV     1
 ASSI {   13}
   (( segid B   and resid 621   and name HG ))
   (( segid B   and resid 621   and name HN ))
      2.700     0.900     0.900 peak    13 weight  0.10000E+01 volume  0.33594E-02 ppm1      1.652 ppm2      6.984 CV     1
 ASSI {   14}
   (( segid B   and resid 621   and name HB1 ))
   (( segid B   and resid 621   and name HN ))
      3.500     0.900     0.900 peak    14 weight  0.10000E+01 volume  0.23932E-02 ppm1      1.476 ppm2      6.985 CV     1
 ASSI {   16}
   ( segid B   and resid 621   and name HD2%) 
   (( segid B   and resid 621   and name HN ))
      4.500     1.300     1.300 peak    16 weight  0.10000E+01 volume  0.37344E-03 ppm1      0.728 ppm2      6.983 CV     1
 ASSI {   19}
   (( segid B   and resid 621   and name HN ))
   (( segid B   and resid 621   and name HA ))
      3.500     1.200     1.200 peak    19 weight  0.10000E+01 volume  0.68464E-03 ppm1      6.979 ppm2      3.969 CV     1
 ASSI {   21}
   (( segid B   and resid 621   and name HG ))
   (( segid B   and resid 621   and name HA ))
      3.400     1.100     1.100 peak    21 weight  0.10000E+01 volume  0.88958E-03 ppm1      1.636 ppm2      3.975 CV     1
 ASSI {   22}
   (( segid B   and resid 621   and name HB1 ))
   (( segid B   and resid 621   and name HA ))
      3.200     1.100     1.100 peak    22 weight  0.10000E+01 volume  0.11784E-02 ppm1      1.475 ppm2      3.973 CV     1
 ASSI {   23}
   (( segid B   and resid 621   and name HB2 ))
   (( segid B   and resid 621   and name HA ))
      3.000     0.900     0.900 peak    23 weight  0.10000E+01 volume  0.23328E-02 ppm1      1.323 ppm2      3.973 CV     1
 ASSI {   24}
   ( segid B   and resid 621   and name HD2%) 
   (( segid B   and resid 621   and name HA ))
      2.700     0.900     0.900 peak    24 weight  0.10000E+01 volume  0.30986E-02 ppm1      0.729 ppm2      3.971 CV     1
 ASSI {   27}
   (( segid B   and resid 621   and name HG ))
   (( segid B   and resid 621   and name HB2 ))
      2.100     0.700     0.700 peak    27 weight  0.10000E+01 volume  0.11856E-01 ppm1      1.634 ppm2      1.320 CV     1
 ASSI {   28}
   (( segid B   and resid 621   and name HB1 ))
   (( segid B   and resid 621   and name HB2 ))
      1.600     0.600     0.600 peak    28 weight  0.10000E+01 volume  0.38569E-01 ppm1      1.473 ppm2      1.321 CV     1
 ASSI {   30}
   ( segid B   and resid 621   and name HD2%) 
   (( segid B   and resid 621   and name HB2 ))
      4.100     1.200     1.200 peak    30 weight  0.10000E+01 volume  0.70467E-03 ppm1      0.726 ppm2      1.322 CV     1
 ASSI {   43}
   ( segid B   and resid 621   and name HD1%) 
   (( segid B   and resid 621   and name HG ))
      2.200     0.700     0.700 peak    43 weight  0.10000E+01 volume  0.10221E-01 ppm1      0.542 ppm2      1.643 CV     1
 ASSI {   65}
   (( segid B   and resid 621   and name HB1 ))
   ( segid B   and resid 621   and name HD2%) 
      3.500     1.200     1.200 peak    65 weight  0.10000E+01 volume  0.61844E-03 ppm1      1.470 ppm2      0.728 CV     1
 ASSI {   68}
   (( segid B   and resid 621   and name HG ))
   ( segid B   and resid 621   and name HD2%) 
      2.800     0.900     0.900 peak    68 weight  0.10000E+01 volume  0.26173E-02 ppm1      1.638 ppm2      0.726 CV     1
 ASSI {   73}
   (( segid B   and resid 619   and name HN ))
   (( segid B   and resid 620   and name HN ))
      3.600     1.200     1.200 peak    73 weight  0.10000E+01 volume  0.54707E-03 ppm1      8.345 ppm2      7.837 CV     1
 ASSI {   77}
   (( segid B   and resid 620   and name HA ))
   (( segid B   and resid 620   and name HN ))
      3.500     1.100     1.100 peak    77 weight  0.10000E+01 volume  0.77412E-03 ppm1      4.521 ppm2      7.852 CV     1
 ASSI {   78}
   (( segid B   and resid 619   and name HA ))
   (( segid B   and resid 620   and name HN ))
      3.500     1.100     1.100 peak    78 weight  0.10000E+01 volume  0.82539E-03 ppm1      4.433 ppm2      7.839 CV     1
 ASSI {   80}
   (( segid B   and resid 618   and name HA ))
   (( segid B   and resid 620   and name HN ))
      4.700     1.500     1.300 peak    80 weight  0.10000E+01 volume  0.13939E-03 ppm1      3.551 ppm2      7.835 CV     1
 ASSI {   81}
   (( segid B   and resid 620   and name HB2 ))
   (( segid B   and resid 620   and name HN ))
      3.000     1.000     1.000 peak    81 weight  0.10000E+01 volume  0.13050E-02 ppm1      3.883 ppm2      7.842 CV     1
 ASSI {   82}
   (( segid B   and resid 617   and name HB1 ))
   (( segid B   and resid 620   and name HN ))
      3.400     1.100     1.100 peak    82 weight  0.10000E+01 volume  0.78924E-03 ppm1      2.765 ppm2      7.834 CV     1
 OR {   82}
   (( segid B   and resid 617   and name HB2 ))
   (( segid B   and resid 620   and name HN ))
 ASSI {   83}
   (( segid B   and resid 621   and name HG ))
   (( segid B   and resid 620   and name HN ))
      4.400     1.300     1.300 peak    83 weight  0.10000E+01 volume  0.30536E-03 ppm1      1.639 ppm2      7.837 CV     1
 ASSI {   86}
   (( segid B   and resid 620   and name HB2 ))
   (( segid B   and resid 620   and name HA ))
      2.600     0.800     0.800 peak    86 weight  0.10000E+01 volume  0.43671E-02 ppm1      3.889 ppm2      4.526 CV     1
 ASSI {   87}
   (( segid B   and resid 620   and name HB1 ))
   (( segid B   and resid 620   and name HA ))
      2.600     0.800     0.800 peak    87 weight  0.10000E+01 volume  0.55220E-02 ppm1      3.944 ppm2      4.525 CV     1
 ASSI {   88}
   (( segid B   and resid 618   and name HN ))
   (( segid B   and resid 619   and name HN ))
      3.700     1.200     1.200 peak    88 weight  0.10000E+01 volume  0.47965E-03 ppm1      9.162 ppm2      8.342 CV     1
 ASSI {   96}
   ( segid B   and resid 618   and name HD% )
   (( segid B   and resid 619   and name HN ))
      4.400     1.400     1.400 peak    96 weight  0.10000E+01 volume  0.22191E-03 ppm1      6.667 ppm2      8.342 CV     1
 ASSI {   98}
   (( segid B   and resid 619   and name HA ))
   (( segid B   and resid 619   and name HN ))
      3.200     1.000     1.000 peak    98 weight  0.10000E+01 volume  0.12683E-02 ppm1      4.425 ppm2      8.341 CV     1
 ASSI {   99}
   (( segid B   and resid 618   and name HA ))
   (( segid B   and resid 619   and name HN ))
      3.700     1.200     1.200 peak    99 weight  0.10000E+01 volume  0.53261E-03 ppm1      3.551 ppm2      8.342 CV     1
 ASSI {  108}
   (( segid B   and resid 617   and name HA ))
   (( segid B   and resid 618   and name HN ))
      3.100     1.000     1.000 peak   108 weight  0.10000E+01 volume  0.13053E-02 ppm1      4.385 ppm2      9.159 CV     1
 ASSI {  109}
   (( segid B   and resid 618   and name HA ))
   (( segid B   and resid 618   and name HN ))
      3.700     1.200     1.200 peak   109 weight  0.10000E+01 volume  0.44993E-03 ppm1      3.555 ppm2      9.167 CV     1
 ASSI {  111}
   (( segid B   and resid 618   and name HB1 ))
   (( segid B   and resid 618   and name HN ))
      3.200     1.100     1.100 peak   111 weight  0.10000E+01 volume  0.98090E-03 ppm1      2.680 ppm2      9.157 CV     1
 ASSI {  115}
   ( segid B   and resid 618   and name HD% )
   (( segid B   and resid 618   and name HA ))
      3.300     1.100     1.100 peak   115 weight  0.10000E+01 volume  0.10666E-02 ppm1      6.675 ppm2      3.553 CV     1
 ASSI {  118}
   (( segid B   and resid 620   and name HB1 ))
   (( segid B   and resid 618   and name HA ))
      5.600     1.700     0.400 peak   118 weight  0.10000E+01 volume  0.62390E-04 ppm1      3.945 ppm2      3.553 CV     1
 ASSI {  123}
   (( segid B   and resid 618   and name HB2 ))
   (( segid B   and resid 618   and name HA ))
      3.100     1.100     1.100 peak   123 weight  0.10000E+01 volume  0.10289E-02 ppm1      2.827 ppm2      3.549 CV     1
 ASSI {  124}
   (( segid B   and resid 618   and name HB1 ))
   (( segid B   and resid 618   and name HA ))
      3.100     1.000     1.000 peak   124 weight  0.10000E+01 volume  0.17721E-02 ppm1      2.676 ppm2      3.552 CV     1
 ASSI {  125}
   (( segid B   and resid 621   and name HG ))
   (( segid B   and resid 618   and name HA ))
      3.200     1.000     1.000 peak   125 weight  0.10000E+01 volume  0.15201E-02 ppm1      1.645 ppm2      3.551 CV     1
 ASSI {  127}
   (( segid B   and resid 616   and name HB2 ))
   (( segid B   and resid 618   and name HA ))
      3.300     3.300     2.700 peak   127 weight  0.10000E+01 volume  0.15442E-02 ppm1      1.072 ppm2      3.556 CV     1
 ASSI {  131}
   ( segid B   and resid 618   and name HD% )
   (( segid B   and resid 618   and name HB1 ))
      2.800     1.000     1.000 peak   131 weight  0.10000E+01 volume  0.20155E-02 ppm1      6.680 ppm2      2.677 CV     1
 ASSI {  139}
   (( segid B   and resid 618   and name HN ))
   (( segid B   and resid 618   and name HB2 ))
      3.600     1.200     1.200 peak   139 weight  0.10000E+01 volume  0.52841E-03 ppm1      9.160 ppm2      2.820 CV     1
 ASSI {  140}
   (( segid B   and resid 619   and name HN ))
   (( segid B   and resid 618   and name HB2 ))
      4.300     1.200     1.200 peak   140 weight  0.10000E+01 volume  0.54557E-03 ppm1      8.343 ppm2      2.824 CV     1
 ASSI {  141}
   ( segid B   and resid 618   and name HD% )
   (( segid B   and resid 618   and name HB2 ))
      2.900     1.000     1.000 peak   141 weight  0.10000E+01 volume  0.21636E-02 ppm1      6.678 ppm2      2.816 CV     1
 ASSI {  146}
   (( segid B   and resid 618   and name HB1 ))
   (( segid B   and resid 618   and name HB2 ))
      1.500     0.600     0.700 peak   146 weight  0.10000E+01 volume  0.56325E-01 ppm1      2.677 ppm2      2.815 CV     1
 ASSI {  151}
   ( segid B   and resid 618   and name HE% )
   ( segid B   and resid 618   and name HD% )
      2.400     0.800     0.800 peak   151 weight  0.10000E+01 volume  0.75017E-02 ppm1      6.534 ppm2      6.681 CV     1
 ASSI {  189}
   (( segid B   and resid 607   and name HA ))
   (( segid B   and resid 608   and name HN ))
      3.500     1.100     1.100 peak   189 weight  0.10000E+01 volume  0.85533E-03 ppm1      4.378 ppm2      8.272 CV     1
 ASSI {  190}
   (( segid B   and resid 608   and name HB2 ))
   (( segid B   and resid 608   and name HN ))
      3.400     1.100     1.100 peak   190 weight  0.10000E+01 volume  0.92001E-03 ppm1      1.585 ppm2      8.273 CV     1
 ASSI {  192}
   (( segid B   and resid 617   and name HN ))
   (( segid B   and resid 617   and name HA ))
      3.300     1.100     1.100 peak   192 weight  0.10000E+01 volume  0.89026E-03 ppm1      8.351 ppm2      4.380 CV     1
 ASSI {  197}
   (( segid B   and resid 617   and name HB2 ))
   (( segid B   and resid 617   and name HA ))
      2.700     0.900     0.900 peak   197 weight  0.10000E+01 volume  0.30338E-02 ppm1      2.772 ppm2      4.382 CV     1
 OR {  197}
   (( segid B   and resid 617   and name HB1 ))
   (( segid B   and resid 617   and name HA ))
 ASSI {  214}
   (( segid B   and resid 617   and name HN ))
   (( segid B   and resid 616   and name HA ))
      2.600     0.900     0.900 peak   214 weight  0.10000E+01 volume  0.36779E-02 ppm1      8.348 ppm2      3.843 CV     1
 ASSI {  217}
   (( segid B   and resid 615   and name HA ))
   (( segid B   and resid 616   and name HA ))
      5.300     1.700     0.700 peak   217 weight  0.10000E+01 volume  0.63578E-04 ppm1      3.696 ppm2      3.842 CV     1
 ASSI {  219}
   (( segid B   and resid 616   and name HB1 ))
   (( segid B   and resid 616   and name HA ))
      2.700     0.900     0.900 peak   219 weight  0.10000E+01 volume  0.28903E-02 ppm1      1.888 ppm2      3.843 CV     1
 ASSI {  220}
   (( segid B   and resid 616   and name HB2 ))
   (( segid B   and resid 616   and name HA ))
      3.200     1.000     1.000 peak   220 weight  0.10000E+01 volume  0.20790E-02 ppm1      1.076 ppm2      3.844 CV     1
 ASSI {  221}
   (( segid B   and resid 616   and name HG2 ))
   (( segid B   and resid 616   and name HA ))
      4.500     1.300     1.300 peak   221 weight  0.10000E+01 volume  0.40794E-03 ppm1      0.960 ppm2      3.848 CV     1
 ASSI {  223}
   ( segid W   and resid 476   and name HE% )
   (( segid B   and resid 616   and name HB2 ))
      4.600     1.500     1.400 peak   223 weight  0.10000E+01 volume  0.15710E-03 ppm1      6.843 ppm2      1.094 CV     1
 ASSI {  228}
   (( segid B   and resid 616   and name HB1 ))
   (( segid B   and resid 616   and name HB2 ))
      2.100     0.700     0.700 peak   228 weight  0.10000E+01 volume  0.95789E-02 ppm1      1.888 ppm2      1.072 CV     1
 ASSI {  232}
   ( segid B   and resid 621   and name HD2%) 
   (( segid B   and resid 616   and name HB2 ))
      3.500     1.200     1.200 peak   232 weight  0.10000E+01 volume  0.69513E-03 ppm1      0.727 ppm2      1.071 CV     1
 ASSI {  236}
   (( segid B   and resid 616   and name HD2 ))
   (( segid B   and resid 616   and name HB1 ))
      4.000     1.100     1.100 peak   236 weight  0.10000E+01 volume  0.76134E-03 ppm1      1.330 ppm2      1.886 CV     1
 ASSI {  238}
   (( segid B   and resid 616   and name HG2 ))
   (( segid B   and resid 616   and name HB1 ))
      2.600     0.800     0.800 peak   238 weight  0.10000E+01 volume  0.53727E-02 ppm1      0.956 ppm2      1.888 CV     1
 ASSI {  239}
   ( segid B   and resid 621   and name HD2%) 
   (( segid B   and resid 616   and name HB1 ))
      4.400     1.300     1.300 peak   239 weight  0.10000E+01 volume  0.34179E-03 ppm1      0.729 ppm2      1.886 CV     1
 ASSI {  248}
   (( segid B   and resid 616   and name HD1 ))
   (( segid B   and resid 615   and name HA ))
      2.500     0.900     0.900 peak   248 weight  0.10000E+01 volume  0.38938E-02 ppm1      2.226 ppm2      3.705 CV     1
 ASSI {  250}
   (( segid B   and resid 616   and name HB2 ))
   (( segid B   and resid 615   and name HA ))
      4.600     1.300     1.300 peak   250 weight  0.10000E+01 volume  0.29548E-03 ppm1      1.079 ppm2      3.703 CV     1
 ASSI {  251}
   (( segid B   and resid 615   and name HG2 ))
   (( segid B   and resid 615   and name HA ))
      5.400     1.800     0.600 peak   251 weight  0.10000E+01 volume  0.49751E-04 ppm1      0.565 ppm2      3.718 CV     1
 ASSI {  253}
   (( segid B   and resid 615   and name HB2 ))
   (( segid B   and resid 615   and name HA ))
      3.400     1.100     1.100 peak   253 weight  0.10000E+01 volume  0.11358E-02 ppm1      0.705 ppm2      3.700 CV     1
 ASSI {  255}
   (( segid B   and resid 615   and name HA ))
   (( segid B   and resid 615   and name HB1 ))
      2.800     1.000     1.000 peak   255 weight  0.10000E+01 volume  0.19186E-02 ppm1      3.703 ppm2     -0.073 CV     1
 ASSI {  258}
   (( segid B   and resid 615   and name HB2 ))
   (( segid B   and resid 615   and name HB1 ))
      2.200     0.800     0.800 peak   258 weight  0.10000E+01 volume  0.61117E-02 ppm1      0.700 ppm2     -0.073 CV     1
 ASSI {  260}
   (( segid W   and resid 470   and name HB2 ))
   (( segid B   and resid 615   and name HB2 ))
      4.400     1.300     1.300 peak   260 weight  0.10000E+01 volume  0.40639E-03 ppm1      3.951 ppm2      0.706 CV     1
 ASSI {  263}
   (( segid B   and resid 616   and name HD2 ))
   (( segid B   and resid 615   and name HB2 ))
      3.000     1.000     1.000 peak   263 weight  0.10000E+01 volume  0.14518E-02 ppm1      1.332 ppm2      0.703 CV     1
 ASSI {  264}
   (( segid W   and resid 468   and name HB2 ))
   (( segid B   and resid 615   and name HB2 ))
      3.300     3.300     2.700 peak   264 weight  0.10000E+01 volume  0.11725E-02 ppm1      0.939 ppm2      0.703 CV     1
 ASSI {  272}
   (( segid B   and resid 616   and name HB2 ))
   (( segid B   and resid 616   and name HG2 ))
      1.800     0.600     0.600 peak   272 weight  0.10000E+01 volume  0.25670E-01 ppm1      1.080 ppm2      0.947 CV     1
 ASSI {  277}
   (( segid B   and resid 616   and name HB1 ))
   (( segid B   and resid 616   and name HG1 ))
      2.800     1.000     1.000 peak   277 weight  0.10000E+01 volume  0.19933E-02 ppm1      1.887 ppm2      1.087 CV     1
 ASSI {  284}
   (( segid B   and resid 615   and name HA ))
   (( segid B   and resid 616   and name HD2 ))
      3.700     1.000     1.000 peak   284 weight  0.10000E+01 volume  0.12995E-02 ppm1      3.706 ppm2      1.326 CV     1
 ASSI {  289}
   (( segid B   and resid 616   and name HB2 ))
   (( segid B   and resid 616   and name HD2 ))
      2.500     0.900     0.900 peak   289 weight  0.10000E+01 volume  0.38782E-02 ppm1      1.085 ppm2      1.326 CV     1
 ASSI {  299}
   (( segid B   and resid 616   and name HB1 ))
   (( segid B   and resid 616   and name HD1 ))
      5.300     1.500     0.700 peak   299 weight  0.10000E+01 volume  0.13565E-03 ppm1      1.884 ppm2      2.222 CV     1
 ASSI {  301}
   (( segid B   and resid 616   and name HD2 ))
   (( segid B   and resid 616   and name HD1 ))
      1.900     0.700     0.700 peak   301 weight  0.10000E+01 volume  0.12464E-01 ppm1      1.325 ppm2      2.222 CV     1
 ASSI {  302}
   (( segid B   and resid 616   and name HB2 ))
   (( segid B   and resid 616   and name HD1 ))
      3.100     0.900     0.900 peak   302 weight  0.10000E+01 volume  0.31031E-02 ppm1      1.083 ppm2      2.220 CV     1
 ASSI {  303}
   (( segid B   and resid 616   and name HG2 ))
   (( segid B   and resid 616   and name HD1 ))
      3.200     1.000     1.000 peak   303 weight  0.10000E+01 volume  0.15021E-02 ppm1      0.949 ppm2      2.219 CV     1
 ASSI {  306}
   (( segid B   and resid 615   and name HD1 ))
   (( segid B   and resid 615   and name HG2 ))
      3.600     1.100     1.100 peak   306 weight  0.10000E+01 volume  0.11230E-02 ppm1      3.191 ppm2      0.572 CV     1
 ASSI {  307}
   (( segid B   and resid 615   and name HD2 ))
   (( segid B   and resid 615   and name HG2 ))
      2.900     1.000     1.000 peak   307 weight  0.10000E+01 volume  0.14445E-02 ppm1      3.060 ppm2      0.570 CV     1
 ASSI {  308}
   (( segid B   and resid 615   and name HG1 ))
   (( segid B   and resid 615   and name HG2 ))
      2.100     0.800     0.800 peak   308 weight  0.10000E+01 volume  0.62782E-02 ppm1      1.237 ppm2      0.571 CV     1
 ASSI {  311}
   (( segid B   and resid 615   and name HD2 ))
   (( segid B   and resid 615   and name HG1 ))
      3.400     1.100     1.100 peak   311 weight  0.10000E+01 volume  0.90949E-03 ppm1      3.052 ppm2      1.240 CV     1
 ASSI {  312}
   (( segid B   and resid 615   and name HD1 ))
   (( segid B   and resid 615   and name HG1 ))
      2.800     1.000     1.000 peak   312 weight  0.10000E+01 volume  0.16410E-02 ppm1      3.190 ppm2      1.238 CV     1
 ASSI {  314}
   (( segid B   and resid 615   and name HB2 ))
   (( segid B   and resid 615   and name HG1 ))
      3.300     1.200     1.200 peak   314 weight  0.10000E+01 volume  0.55575E-03 ppm1      0.707 ppm2      1.235 CV     1
 ASSI {  317}
   (( segid B   and resid 614   and name HA ))
   (( segid B   and resid 615   and name HD2 ))
      2.500     0.900     0.900 peak   317 weight  0.10000E+01 volume  0.36925E-02 ppm1      4.904 ppm2      3.060 CV     1
 ASSI {  327}
   (( segid B   and resid 615   and name HD2 ))
   (( segid B   and resid 615   and name HD1 ))
      1.600     0.600     0.600 peak   327 weight  0.10000E+01 volume  0.40833E-01 ppm1      3.058 ppm2      3.191 CV     1
 ASSI {  328}
   (( segid B   and resid 614   and name HB1 ))
   (( segid B   and resid 615   and name HD1 ))
      3.000     1.100     1.100 peak   328 weight  0.10000E+01 volume  0.11430E-02 ppm1      2.368 ppm2      3.194 CV     1
 ASSI {  329}
   (( segid B   and resid 614   and name HB2 ))
   (( segid B   and resid 615   and name HD1 ))
      3.200     1.000     1.000 peak   329 weight  0.10000E+01 volume  0.13398E-02 ppm1      1.936 ppm2      3.192 CV     1
 ASSI {  333}
   (( segid B   and resid 615   and name HA ))
   (( segid B   and resid 615   and name HD2 ))
      4.300     1.400     1.400 peak   333 weight  0.10000E+01 volume  0.20277E-03 ppm1      3.700 ppm2      3.057 CV     1
 ASSI {  339}
   (( segid W   and resid 486   and name HA ))
   (( segid B   and resid 614   and name HA ))
      3.100     0.900     0.900 peak   339 weight  0.10000E+01 volume  0.23452E-02 ppm1      4.778 ppm2      4.906 CV     1
 ASSI {  344}
   (( segid B   and resid 614   and name HB1 ))
   (( segid B   and resid 614   and name HA ))
      2.700     0.900     0.900 peak   344 weight  0.10000E+01 volume  0.23289E-02 ppm1      2.364 ppm2      4.905 CV     1
 ASSI {  345}
   (( segid B   and resid 614   and name HB2 ))
   (( segid B   and resid 614   and name HA ))
      3.500     1.100     1.100 peak   345 weight  0.10000E+01 volume  0.11246E-02 ppm1      1.945 ppm2      4.904 CV     1
 ASSI {  348}
   (( segid B   and resid 614   and name HD1 ))
   (( segid B   and resid 614   and name HB2 ))
      3.600     1.200     1.200 peak   348 weight  0.10000E+01 volume  0.55447E-03 ppm1      3.739 ppm2      1.928 CV     1
 ASSI {  351}
   (( segid B   and resid 614   and name HB1 ))
   (( segid B   and resid 614   and name HB2 ))
      2.000     0.700     0.700 peak   351 weight  0.10000E+01 volume  0.99441E-02 ppm1      2.368 ppm2      1.938 CV     1
 ASSI {  363}
   (( segid W   and resid 486   and name HB1 ))
   (( segid B   and resid 614   and name HB1 ))
      3.600     1.100     1.100 peak   363 weight  0.10000E+01 volume  0.99497E-03 ppm1      2.565 ppm2      2.371 CV     1
 OR {  363}
   (( segid W   and resid 486   and name HB2 ))
   (( segid B   and resid 614   and name HB1 ))
 ASSI {  368}
   (( segid B   and resid 614   and name HA ))
   (( segid B   and resid 614   and name HG1 ))
      3.800     1.200     1.200 peak   368 weight  0.10000E+01 volume  0.55087E-03 ppm1      4.902 ppm2      2.022 CV     1
 OR {  368}
   (( segid B   and resid 614   and name HA ))
   (( segid B   and resid 614   and name HG2 ))
 ASSI {  372}
   (( segid B   and resid 614   and name HB1 ))
   (( segid B   and resid 614   and name HG1 ))
      2.400     0.800     0.800 peak   372 weight  0.10000E+01 volume  0.58992E-02 ppm1      2.363 ppm2      2.019 CV     1
 OR {  372}
   (( segid B   and resid 614   and name HB1 ))
   (( segid B   and resid 614   and name HG2 ))
 ASSI {  376}
   (( segid B   and resid 613   and name HA ))
   (( segid B   and resid 614   and name HD1 ))
      2.800     0.900     0.900 peak   376 weight  0.10000E+01 volume  0.35840E-02 ppm1      4.707 ppm2      3.739 CV     1
 ASSI {  383}
   (( segid B   and resid 614   and name HB1 ))
   (( segid B   and resid 614   and name HD1 ))
      5.200     1.500     0.800 peak   383 weight  0.10000E+01 volume  0.14004E-03 ppm1      2.362 ppm2      3.737 CV     1
 ASSI {  388}
   (( segid B   and resid 613   and name HA ))
   (( segid B   and resid 614   and name HD2 ))
      2.400     0.800     0.800 peak   388 weight  0.10000E+01 volume  0.45755E-02 ppm1      4.706 ppm2      3.917 CV     1
 ASSI {  392}
   (( segid B   and resid 614   and name HD1 ))
   (( segid B   and resid 614   and name HD2 ))
      1.700     0.600     0.600 peak   392 weight  0.10000E+01 volume  0.29969E-01 ppm1      3.742 ppm2      3.917 CV     1
 ASSI {  403}
   (( segid B   and resid 613   and name HA ))
   (( segid B   and resid 613   and name HN ))
      2.400     0.800     0.800 peak   403 weight  0.10000E+01 volume  0.62068E-02 ppm1      4.731 ppm2      7.772 CV     1
 ASSI {  404}
   (( segid B   and resid 613   and name HB ))
   (( segid B   and resid 613   and name HN ))
      4.000     1.200     1.200 peak   404 weight  0.10000E+01 volume  0.45653E-03 ppm1      4.306 ppm2      7.769 CV     1
 ASSI {  405}
   (( segid B   and resid 612   and name HA2 ))
   (( segid B   and resid 613   and name HN ))
      3.500     1.200     1.200 peak   405 weight  0.10000E+01 volume  0.62884E-03 ppm1      4.039 ppm2      7.771 CV     1
 ASSI {  409}
   (( segid B   and resid 613   and name HA ))
   (( segid B   and resid 613   and name HB ))
      2.900     1.000     1.000 peak   409 weight  0.10000E+01 volume  0.21518E-02 ppm1      4.701 ppm2      4.297 CV     1
 ASSI {  414}
   (( segid B   and resid 614   and name HD2 ))
   (( segid B   and resid 613   and name HB ))
      4.300     4.300     1.700 peak   414 weight  0.10000E+01 volume  0.51426E-03 ppm1      3.912 ppm2      4.305 CV     1
 ASSI {  416}
   ( segid B   and resid 613   and name HG2%) 
   (( segid B   and resid 613   and name HB ))
      2.700     0.900     0.900 peak   416 weight  0.10000E+01 volume  0.37978E-02 ppm1      1.338 ppm2      4.298 CV     1
 ASSI {  418}
   (( segid B   and resid 613   and name HA ))
   ( segid B   and resid 613   and name HG2%) 
      3.100     1.000     1.000 peak   418 weight  0.10000E+01 volume  0.14943E-02 ppm1      4.703 ppm2      1.337 CV     1
 ASSI {  422}
   (( segid B   and resid 614   and name HD1 ))
   ( segid B   and resid 613   and name HG2%) 
      3.800     1.100     1.100 peak   422 weight  0.10000E+01 volume  0.73276E-03 ppm1      3.742 ppm2      1.337 CV     1
 ASSI {  429}
   (( segid B   and resid 613   and name HA ))
   (( segid B   and resid 612   and name HN ))
      2.400     2.400     3.600 peak   429 weight  0.10000E+01 volume  0.76167E-02 ppm1      4.731 ppm2      8.465 CV     1
 ASSI {  430}
   (( segid B   and resid 612   and name HA2 ))
   (( segid B   and resid 612   and name HN ))
      3.500     1.200     1.200 peak   430 weight  0.10000E+01 volume  0.69913E-03 ppm1      4.037 ppm2      8.463 CV     1
 ASSI {  431}
   (( segid B   and resid 612   and name HA1 ))
   (( segid B   and resid 612   and name HN ))
      3.600     1.200     1.200 peak   431 weight  0.10000E+01 volume  0.60500E-03 ppm1      3.953 ppm2      8.465 CV     1
 ASSI {  445}
   (( segid B   and resid 612   and name HA1 ))
   (( segid B   and resid 612   and name HA2 ))
      1.600     0.600     0.600 peak   445 weight  0.10000E+01 volume  0.47033E-01 ppm1      3.945 ppm2      4.044 CV     1
 ASSI {  453}
   (( segid B   and resid 611   and name HB1 ))
   (( segid B   and resid 611   and name HA ))
      2.900     1.000     1.000 peak   453 weight  0.10000E+01 volume  0.17427E-02 ppm1      2.190 ppm2      4.338 CV     1
 ASSI {  454}
   (( segid B   and resid 610   and name HB ))
   (( segid B   and resid 611   and name HA ))
      3.500     3.500     2.500 peak   454 weight  0.10000E+01 volume  0.79441E-03 ppm1      1.826 ppm2      4.338 CV     1
 ASSI {  455}
   (( segid B   and resid 610   and name HA ))
   (( segid B   and resid 609   and name HB1 ))
      3.100     3.100     2.900 peak   455 weight  0.10000E+01 volume  0.30084E-02 ppm1      4.344 ppm2      2.188 CV     1
 ASSI {  491}
   (( segid B   and resid 609   and name HA ))
   (( segid B   and resid 610   and name HN ))
      2.800     0.900     0.900 peak   491 weight  0.10000E+01 volume  0.27901E-02 ppm1      4.393 ppm2      8.193 CV     1
 ASSI {  494}
   (( segid B   and resid 608   and name HB1 ))
   (( segid B   and resid 610   and name HN ))
      4.100     4.100     1.900 peak   494 weight  0.10000E+01 volume  0.37357E-03 ppm1      1.525 ppm2      8.195 CV     1
 ASSI {  495}
   (( segid B   and resid 610   and name HG12)) 
   (( segid B   and resid 610   and name HN ))
      3.500     1.200     1.200 peak   495 weight  0.10000E+01 volume  0.55363E-03 ppm1      1.204 ppm2      8.197 CV     1
 ASSI {  497}
   (( segid B   and resid 610   and name HN ))
   (( segid B   and resid 610   and name HA ))
      3.900     1.300     1.300 peak   497 weight  0.10000E+01 volume  0.31821E-03 ppm1      8.200 ppm2      4.332 CV     1
 ASSI {  502}
   (( segid B   and resid 609   and name HB2 ))
   (( segid B   and resid 610   and name HA ))
      3.700     1.200     1.200 peak   502 weight  0.10000E+01 volume  0.52083E-03 ppm1      1.802 ppm2      4.337 CV     1
 ASSI {  504}
   ( segid B   and resid 610   and name HG2%) 
   (( segid B   and resid 610   and name HA ))
      3.500     1.100     1.100 peak   504 weight  0.10000E+01 volume  0.71002E-03 ppm1      0.935 ppm2      4.336 CV     1
 ASSI {  505}
   (( segid B   and resid 610   and name HN ))
   (( segid B   and resid 610   and name HB ))
      3.400     1.100     1.100 peak   505 weight  0.10000E+01 volume  0.80122E-03 ppm1      8.199 ppm2      1.814 CV     1
 ASSI {  506}
   (( segid B   and resid 610   and name HA ))
   (( segid B   and resid 610   and name HB ))
      3.900     1.300     1.300 peak   506 weight  0.10000E+01 volume  0.38371E-03 ppm1      4.334 ppm2      1.811 CV     1
 ASSI {  512}
   (( segid B   and resid 610   and name HG12)) 
   (( segid B   and resid 610   and name HB ))
      3.600     1.200     1.200 peak   512 weight  0.10000E+01 volume  0.49289E-03 ppm1      1.209 ppm2      1.815 CV     1
 ASSI {  518}
   (( segid B   and resid 609   and name HB2 ))
   (( segid B   and resid 610   and name HG12)) 
      2.900     2.900     3.100 peak   518 weight  0.10000E+01 volume  0.15882E-02 ppm1      1.794 ppm2      1.197 CV     1
 ASSI {  523}
   ( segid B   and resid 610   and name HD1%) 
   (( segid B   and resid 610   and name HG12)) 
      2.500     0.800     0.800 peak   523 weight  0.10000E+01 volume  0.49740E-02 ppm1      0.891 ppm2      1.198 CV     1
 ASSI {  526}
   (( segid B   and resid 609   and name HG2 ))
   (( segid B   and resid 610   and name HG11)) 
      3.500     3.500     2.500 peak   526 weight  0.10000E+01 volume  0.21539E-02 ppm1      1.942 ppm2      1.537 CV     1
 OR {  526}
   (( segid B   and resid 609   and name HG1 ))
   (( segid B   and resid 610   and name HG11)) 
 ASSI {  532}
   (( segid B   and resid 610   and name HN ))
   ( segid B   and resid 610   and name HD1%) 
      5.300     1.500     0.700 peak   532 weight  0.10000E+01 volume  0.14012E-03 ppm1      8.202 ppm2      0.879 CV     1
 ASSI {  533}
   (( segid B   and resid 610   and name HA ))
   ( segid B   and resid 610   and name HD1%) 
      4.400     1.300     1.300 peak   533 weight  0.10000E+01 volume  0.41528E-03 ppm1      4.344 ppm2      0.881 CV     1
 ASSI {  535}
   (( segid B   and resid 610   and name HB ))
   ( segid B   and resid 610   and name HD1%) 
      3.200     1.000     1.000 peak   535 weight  0.10000E+01 volume  0.12476E-02 ppm1      1.804 ppm2      0.880 CV     1
 ASSI {  541}
   (( segid B   and resid 610   and name HN ))
   ( segid B   and resid 610   and name HG2%) 
      5.100     1.500     0.900 peak   541 weight  0.10000E+01 volume  0.14000E-03 ppm1      8.204 ppm2      0.944 CV     1
 ASSI {  546}
   (( segid B   and resid 610   and name HB ))
   ( segid B   and resid 610   and name HG2%) 
      3.100     1.000     1.000 peak   546 weight  0.10000E+01 volume  0.14164E-02 ppm1      1.813 ppm2      0.970 CV     1
 ASSI {  557}
   (( segid B   and resid 609   and name HB1 ))
   (( segid B   and resid 609   and name HA ))
      3.000     1.000     1.000 peak   557 weight  0.10000E+01 volume  0.15369E-02 ppm1      2.161 ppm2      4.402 CV     1
 ASSI {  559}
   (( segid B   and resid 609   and name HB2 ))
   (( segid B   and resid 609   and name HA ))
      3.600     1.100     1.100 peak   559 weight  0.10000E+01 volume  0.78836E-03 ppm1      1.798 ppm2      4.403 CV     1
 ASSI {  563}
   (( segid B   and resid 609   and name HG2 ))
   (( segid B   and resid 609   and name HB2 ))
      2.000     0.700     0.700 peak   563 weight  0.10000E+01 volume  0.20952E-01 ppm1      1.942 ppm2      1.782 CV     1
 OR {  563}
   (( segid B   and resid 609   and name HG1 ))
   (( segid B   and resid 609   and name HB2 ))
 ASSI {  565}
   (( segid B   and resid 610   and name HN ))
   (( segid B   and resid 609   and name HB2 ))
      4.500     1.400     1.400 peak   565 weight  0.10000E+01 volume  0.18059E-03 ppm1      8.201 ppm2      1.792 CV     1
 ASSI {  566}
   (( segid B   and resid 607   and name HA ))
   (( segid B   and resid 609   and name HB1 ))
      2.800     2.800     3.200 peak   566 weight  0.10000E+01 volume  0.30504E-02 ppm1      4.386 ppm2      2.164 CV     1
 ASSI {  568}
   (( segid B   and resid 609   and name HG1 ))
   (( segid B   and resid 609   and name HB1 ))
      2.300     0.800     0.800 peak   568 weight  0.10000E+01 volume  0.86042E-02 ppm1      1.942 ppm2      2.161 CV     1
 OR {  568}
   (( segid B   and resid 609   and name HG2 ))
   (( segid B   and resid 609   and name HB1 ))
 ASSI {  569}
   (( segid B   and resid 609   and name HB2 ))
   (( segid B   and resid 609   and name HB1 ))
      1.900     0.700     0.700 peak   569 weight  0.10000E+01 volume  0.17069E-01 ppm1      1.789 ppm2      2.161 CV     1
 ASSI {  570}
   (( segid B   and resid 607   and name HA ))
   (( segid B   and resid 609   and name HG1 ))
      4.700     1.400     1.300 peak   570 weight  0.10000E+01 volume  0.19396E-03 ppm1      4.391 ppm2      1.947 CV     1
 OR {  570}
   (( segid B   and resid 607   and name HA ))
   (( segid B   and resid 609   and name HG2 ))
 ASSI {  571}
   (( segid B   and resid 609   and name HD2 ))
   (( segid B   and resid 609   and name HG2 ))
      2.900     1.000     1.000 peak   571 weight  0.10000E+01 volume  0.19568E-02 ppm1      3.826 ppm2      1.949 CV     1
 OR {  571}
   (( segid B   and resid 609   and name HD2 ))
   (( segid B   and resid 609   and name HG1 ))
 ASSI {  582}
   (( segid B   and resid 609   and name HD2 ))
   (( segid B   and resid 609   and name HD1 ))
      1.900     0.700     0.700 peak   582 weight  0.10000E+01 volume  0.17387E-01 ppm1      3.826 ppm2      3.594 CV     1
 ASSI {  584}
   (( segid B   and resid 609   and name HG1 ))
   (( segid B   and resid 609   and name HD1 ))
      3.100     1.000     1.000 peak   584 weight  0.10000E+01 volume  0.14764E-02 ppm1      1.948 ppm2      3.592 CV     1
 OR {  584}
   (( segid B   and resid 609   and name HG2 ))
   (( segid B   and resid 609   and name HD1 ))
 ASSI {  588}
   (( segid B   and resid 608   and name HA ))
   (( segid B   and resid 609   and name HD2 ))
      2.700     0.900     0.900 peak   588 weight  0.10000E+01 volume  0.23952E-02 ppm1      4.617 ppm2      3.827 CV     1
 ASSI {  590}
   (( segid B   and resid 607   and name HB ))
   (( segid B   and resid 609   and name HD2 ))
      4.400     4.400     1.600 peak   590 weight  0.10000E+01 volume  0.27420E-03 ppm1      4.213 ppm2      3.824 CV     1
 ASSI {  599}
   (( segid B   and resid 618   and name HN ))
   (( segid B   and resid 617   and name HN ))
      4.500     1.300     1.300 peak   599 weight  0.10000E+01 volume  0.31674E-03 ppm1      9.172 ppm2      8.349 CV     1
 ASSI {  605}
   (( segid B   and resid 617   and name HD22)) 
   (( segid B   and resid 617   and name HN ))
      6.000     2.300     0.000 peak   605 weight  0.10000E+01 volume  0.11804E-04 ppm1      7.708 ppm2      8.347 CV     1
 ASSI {  611}
   (( segid B   and resid 616   and name HB1 ))
   (( segid B   and resid 617   and name HN ))
      4.300     1.300     1.300 peak   611 weight  0.10000E+01 volume  0.37754E-03 ppm1      1.894 ppm2      8.349 CV     1
 ASSI {  612}
   (( segid B   and resid 616   and name HB2 ))
   (( segid B   and resid 617   and name HN ))
      4.400     1.400     1.400 peak   612 weight  0.10000E+01 volume  0.26822E-03 ppm1      1.079 ppm2      8.347 CV     1
 ASSI {  619}
   (( segid B   and resid 609   and name HD1 ))
   (( segid B   and resid 608   and name HB1 ))
      4.800     1.400     1.200 peak   619 weight  0.10000E+01 volume  0.18099E-03 ppm1      3.601 ppm2      1.545 CV     1
 ASSI {  621}
   (( segid B   and resid 608   and name HB2 ))
   (( segid B   and resid 608   and name HB1 ))
      1.300     0.500     0.900 peak   621 weight  0.10000E+01 volume  0.16113E+00 ppm1      1.573 ppm2      1.540 CV     1
 ASSI {  622}
   (( segid B   and resid 609   and name HD1 ))
   (( segid B   and resid 608   and name HB2 ))
      4.700     1.300     1.300 peak   622 weight  0.10000E+01 volume  0.28490E-03 ppm1      3.602 ppm2      1.597 CV     1
 ASSI {  624}
   ( segid B   and resid 608   and name HD2%) 
   (( segid B   and resid 608   and name HB2 ))
      6.000     6.000     0.000 peak   624 weight  0.10000E+01 volume  0.72453E-04 ppm1      0.929 ppm2      1.583 CV     1
 ASSI {  625}
   (( segid B   and resid 608   and name HA ))
   ( segid B   and resid 608   and name HD1%) 
      3.900     1.200     1.200 peak   625 weight  0.10000E+01 volume  0.48479E-03 ppm1      4.619 ppm2      0.904 CV     1
 ASSI {  629}
   (( segid B   and resid 608   and name HB1 ))
   ( segid B   and resid 608   and name HD1%) 
      4.300     4.300     1.700 peak   629 weight  0.10000E+01 volume  0.62710E-03 ppm1      1.548 ppm2      0.904 CV     1
 ASSI {  636}
   (( segid B   and resid 606   and name HA ))
   (( segid B   and resid 607   and name HN ))
      4.700     1.500     1.300 peak   636 weight  0.10000E+01 volume  0.16138E-03 ppm1      4.622 ppm2      8.312 CV     1
 ASSI {  637}
   (( segid B   and resid 607   and name HA ))
   (( segid B   and resid 607   and name HN ))
      4.400     4.400     1.600 peak   637 weight  0.10000E+01 volume  0.17828E-03 ppm1      4.377 ppm2      8.311 CV     1
 ASSI {  644}
   ( segid B   and resid 607   and name HG2%) 
   (( segid B   and resid 607   and name HB ))
      2.800     0.900     0.900 peak   644 weight  0.10000E+01 volume  0.29461E-02 ppm1      1.205 ppm2      4.206 CV     1
 ASSI {  667}
   (( segid B   and resid 619   and name HB1 ))
   (( segid B   and resid 619   and name HA ))
      2.900     0.900     0.900 peak   667 weight  0.10000E+01 volume  0.24072E-02 ppm1      2.744 ppm2      4.423 CV     1
 ASSI {  687}
   (( segid B   and resid 620   and name HB1 ))
   (( segid B   and resid 620   and name HB2 ))
      1.600     0.600     0.600 peak   687 weight  0.10000E+01 volume  0.55752E-01 ppm1      3.953 ppm2      3.869 CV     1
 ASSI {  690}
   (( segid B   and resid 618   and name HA ))
   (( segid B   and resid 620   and name HB2 ))
      5.600     1.700     0.400 peak   690 weight  0.10000E+01 volume  0.66767E-04 ppm1      3.566 ppm2      3.861 CV     1
 ASSI {  691}
   (( segid B   and resid 620   and name HN ))
   (( segid B   and resid 620   and name HB1 ))
      3.600     1.100     1.100 peak   691 weight  0.10000E+01 volume  0.11182E-02 ppm1      7.835 ppm2      3.948 CV     1
 ASSI {  725}
   (( segid B   and resid 617   and name HN ))
   (( segid B   and resid 617   and name HB2 ))
      2.800     0.900     0.900 peak   725 weight  0.10000E+01 volume  0.25266E-02 ppm1      8.346 ppm2      2.779 CV     1
 OR {  725}
   (( segid B   and resid 617   and name HN ))
   (( segid B   and resid 617   and name HB1 ))
 ASSI {  763}
   (( segid B   and resid 619   and name HA ))
   (( segid B   and resid 619   and name HB2 ))
      3.000     1.000     1.000 peak   763 weight  0.10000E+01 volume  0.20198E-02 ppm1      4.429 ppm2      2.708 CV     1
 ASSI {  765}
   (( segid B   and resid 619   and name HN ))
   (( segid B   and resid 619   and name HB1 ))
      3.500     1.100     1.100 peak   765 weight  0.10000E+01 volume  0.11613E-02 ppm1      8.345 ppm2      2.755 CV     1
 ASSI {  766}
   (( segid B   and resid 618   and name HN ))
   (( segid B   and resid 617   and name HB1 ))
      4.400     1.400     1.400 peak   766 weight  0.10000E+01 volume  0.20871E-03 ppm1      9.162 ppm2      2.757 CV     1
 OR {  766}
   (( segid B   and resid 618   and name HN ))
   (( segid B   and resid 617   and name HB2 ))
 ASSI {  773}
   (( segid W   and resid 487   and name HD1 ))
   (( segid B   and resid 615   and name HD2 ))
      4.900     1.600     1.100 peak   773 weight  0.10000E+01 volume  0.81482E-04 ppm1      7.439 ppm2      3.074 CV     1
 ASSI {  778}
   (( segid B   and resid 617   and name HD22)) 
   (( segid B   and resid 619   and name HN ))
      5.400     1.700     0.600 peak   778 weight  0.10000E+01 volume  0.62985E-04 ppm1      7.706 ppm2      8.344 CV     1
 ASSI {  780}
   (( segid B   and resid 619   and name HA ))
   (( segid B   and resid 618   and name HA ))
      5.200     1.600     0.800 peak   780 weight  0.10000E+01 volume  0.83499E-04 ppm1      4.418 ppm2      3.546 CV     1
 ASSI {    1}
   (( segid W   and resid 490   and name HB2 ))
   (( segid W   and resid 465   and name HE1 ))
      3.600     2.200     2.200 peak     1 weight  0.10000E+01 volume  0.10058E-02 ppm1      0.894 ppm2     10.541 CV     1
 OR {    1}
   (( segid W   and resid 490   and name HB1 ))
   (( segid W   and resid 465   and name HE1 ))
 ASSI {    2}
   (( segid W   and resid 479   and name HB2 ))
   (( segid W   and resid 465   and name HE1 ))
      4.900     3.600     1.100 peak     2 weight  0.10000E+01 volume  0.20238E-03 ppm1      2.092 ppm2     10.540 CV     1
 ASSI {    4}
   (( segid W   and resid 462   and name HG1 ))
   (( segid W   and resid 465   and name HE1 ))
      5.100     2.700     0.900 peak     4 weight  0.10000E+01 volume  0.49883E-03 ppm1      1.732 ppm2     10.542 CV     1
 ASSI {    6}
   (( segid W   and resid 462   and name HB1 ))
   (( segid W   and resid 465   and name HE1 ))
      5.000     2.500     1.000 peak     6 weight  0.10000E+01 volume  0.68362E-03 ppm1      2.515 ppm2     10.539 CV     1
 ASSI {    8}
   (( segid W   and resid 465   and name HB2 ))
   (( segid W   and resid 465   and name HE1 ))
      5.500     3.800     0.500 peak     8 weight  0.10000E+01 volume  0.17710E-03 ppm1      3.133 ppm2     10.542 CV     1
 ASSI {    9}
   (( segid W   and resid 479   and name HA ))
   (( segid W   and resid 465   and name HE1 ))
      6.000     4.700     0.000 peak     9 weight  0.10000E+01 volume  0.87500E-04 ppm1      3.970 ppm2     10.545 CV     1
 ASSI {   18}
   (( segid W   and resid 475   and name HN ))
   (( segid W   and resid 470   and name HN ))
      5.300     4.000     0.700 peak    18 weight  0.10000E+01 volume  0.13960E-03 ppm1      8.464 ppm2      9.816 CV     1
 ASSI {   21}
   (( segid W   and resid 470   and name HD2 ))
   (( segid W   and resid 470   and name HN ))
      6.000     4.600     0.000 peak    21 weight  0.10000E+01 volume  0.92328E-04 ppm1      7.355 ppm2      9.819 CV     1
 ASSI {   27}
   (( segid W   and resid 474   and name HB1 ))
   (( segid W   and resid 470   and name HN ))
      5.400     3.600     0.600 peak    27 weight  0.10000E+01 volume  0.19873E-03 ppm1      2.137 ppm2      9.815 CV     1
 ASSI {   28}
   (( segid W   and resid 475   and name HB ))
   (( segid W   and resid 470   and name HN ))
      5.400     3.100     0.600 peak    28 weight  0.10000E+01 volume  0.30987E-03 ppm1      1.937 ppm2      9.810 CV     1
 ASSI {   30}
   ( segid W   and resid 469   and name HG2%) 
   (( segid W   and resid 470   and name HN ))
      4.000     1.500     1.500 peak    30 weight  0.10000E+01 volume  0.30649E-02 ppm1      1.285 ppm2      9.812 CV     1
 ASSI {   34}
   (( segid W   and resid 470   and name HN ))
   (( segid W   and resid 476   and name HN ))
      4.300     2.600     1.700 peak    34 weight  0.10000E+01 volume  0.56341E-03 ppm1      9.808 ppm2      8.967 CV     1
 ASSI {   37}
   (( segid W   and resid 470   and name HN ))
   (( segid W   and resid 469   and name HN ))
      4.900     2.900     1.100 peak    37 weight  0.10000E+01 volume  0.40622E-03 ppm1      9.808 ppm2      8.225 CV     1
 ASSI {   39}
   (( segid W   and resid 470   and name HN ))
   (( segid W   and resid 471   and name HN ))
      5.500     3.600     0.500 peak    39 weight  0.10000E+01 volume  0.19805E-03 ppm1      9.808 ppm2      6.934 CV     1
 ASSI {   42}
   (( segid W   and resid 468   and name HN ))
   (( segid W   and resid 478   and name HN ))
      4.800     3.400     1.200 peak    42 weight  0.10000E+01 volume  0.23238E-03 ppm1      8.340 ppm2      9.552 CV     1
 ASSI {   43}
   (( segid W   and resid 465   and name HE3 ))
   (( segid W   and resid 478   and name HN ))
      3.000     2.100     2.100 peak    43 weight  0.10000E+01 volume  0.11283E-02 ppm1      7.468 ppm2      9.546 CV     1
 ASSI {   44}
   ( segid W   and resid 477   and name HD% )
   (( segid W   and resid 478   and name HN ))
      4.400     2.300     1.600 peak    44 weight  0.10000E+01 volume  0.90912E-03 ppm1      7.085 ppm2      9.545 CV     1
 ASSI {   46}
   (( segid W   and resid 465   and name HZ3 ))
   (( segid W   and resid 478   and name HN ))
      6.000     6.000     0.000 peak    46 weight  0.10000E+01 volume  0.31557E-04 ppm1      6.802 ppm2      9.551 CV     1
 ASSI {   47}
   (( segid W   and resid 465   and name HA ))
   (( segid W   and resid 478   and name HN ))
      4.900     2.900     1.100 peak    47 weight  0.10000E+01 volume  0.39044E-03 ppm1      6.066 ppm2      9.548 CV     1
 ASSI {   54}
   (( segid W   and resid 462   and name HD2 ))
   (( segid W   and resid 478   and name HN ))
      6.000     5.800     0.000 peak    54 weight  0.10000E+01 volume  0.43710E-04 ppm1      2.746 ppm2      9.556 CV     1
 ASSI {   56}
   (( segid W   and resid 467   and name HB1 ))
   (( segid W   and resid 478   and name HN ))
      5.800     3.900     0.200 peak    56 weight  0.10000E+01 volume  0.15902E-03 ppm1      1.862 ppm2      9.550 CV     1
 OR {   56}
   (( segid W   and resid 467   and name HB2 ))
   (( segid W   and resid 478   and name HN ))
 ASSI {   60}
   (( segid W   and resid 478   and name HG12)) 
   (( segid W   and resid 478   and name HN ))
      4.100     2.100     1.900 peak    60 weight  0.10000E+01 volume  0.12205E-02 ppm1      0.751 ppm2      9.547 CV     1
 ASSI {   67}
   (( segid W   and resid 480   and name HN ))
   (( segid W   and resid 466   and name HN ))
      5.200     2.800     0.800 peak    67 weight  0.10000E+01 volume  0.43721E-03 ppm1      8.725 ppm2      9.380 CV     1
 ASSI {   74}
   (( segid W   and resid 477   and name HA ))
   (( segid W   and resid 466   and name HN ))
      4.600     2.500     1.400 peak    74 weight  0.10000E+01 volume  0.64043E-03 ppm1      5.284 ppm2      9.378 CV     1
 ASSI {   83}
   (( segid W   and resid 461   and name HG ))
   (( segid W   and resid 466   and name HN ))
      6.000     4.400     0.000 peak    83 weight  0.10000E+01 volume  0.10488E-03 ppm1      1.838 ppm2      9.381 CV     1
 ASSI {   84}
   (( segid W   and resid 478   and name HB ))
   (( segid W   and resid 466   and name HN ))
      3.500     1.500     1.500 peak    84 weight  0.10000E+01 volume  0.30765E-02 ppm1      1.498 ppm2      9.377 CV     1
 ASSI {   96}
   (( segid W   and resid 486   and name HE22)) 
   (( segid W   and resid 486   and name HN ))
      5.200     3.000     0.800 peak    96 weight  0.10000E+01 volume  0.36975E-03 ppm1      8.312 ppm2      9.287 CV     1
 ASSI {  101}
   (( segid W   and resid 476   and name HA ))
   (( segid W   and resid 486   and name HN ))
      5.600     3.300     0.400 peak   101 weight  0.10000E+01 volume  0.25557E-03 ppm1      5.172 ppm2      9.287 CV     1
 ASSI {  106}
   (( segid W   and resid 477   and name HB1 ))
   (( segid W   and resid 486   and name HN ))
      3.700     1.600     1.600 peak   106 weight  0.10000E+01 volume  0.25422E-02 ppm1      3.084 ppm2      9.293 CV     1
 ASSI {  111}
   (( segid W   and resid 478   and name HG11)) 
   (( segid W   and resid 486   and name HN ))
      5.700     3.500     0.300 peak   111 weight  0.10000E+01 volume  0.21928E-03 ppm1      1.333 ppm2      9.295 CV     1
 ASSI {  116}
   (( segid W   and resid 486   and name HN ))
   (( segid W   and resid 479   and name HN ))
      5.700     3.100     0.300 peak   116 weight  0.10000E+01 volume  0.31419E-03 ppm1      9.291 ppm2      8.489 CV     1
 ASSI {  121}
   (( segid W   and resid 490   and name HG1 ))
   (( segid W   and resid 486   and name HN ))
      6.000     5.200     0.000 peak   121 weight  0.10000E+01 volume  0.63453E-04 ppm1      0.544 ppm2      9.298 CV     1
 ASSI {  126}
   (( segid W   and resid 487   and name HE3 ))
   (( segid W   and resid 487   and name HN ))
      5.000     2.700     1.000 peak   126 weight  0.10000E+01 volume  0.50902E-03 ppm1      8.310 ppm2      9.103 CV     1
 ASSI {  134}
   (( segid W   and resid 488   and name HA ))
   (( segid W   and resid 487   and name HN ))
      5.200     2.900     0.800 peak   134 weight  0.10000E+01 volume  0.40651E-03 ppm1      4.180 ppm2      9.106 CV     1
 ASSI {  141}
   (( segid W   and resid 488   and name HB2 ))
   (( segid W   and resid 487   and name HN ))
      4.500     2.300     1.500 peak   141 weight  0.10000E+01 volume  0.88413E-03 ppm1      1.736 ppm2      9.101 CV     1
 ASSI {  149}
   (( segid W   and resid 486   and name HB2 ))
   (( segid W   and resid 487   and name HN ))
      3.300     1.700     1.700 peak   149 weight  0.10000E+01 volume  0.22368E-02 ppm1      2.550 ppm2      9.103 CV     1
 OR {  149}
   (( segid W   and resid 486   and name HB1 ))
   (( segid W   and resid 487   and name HN ))
 ASSI {  162}
   (( segid W   and resid 487   and name HE3 ))
   (( segid W   and resid 476   and name HN ))
      3.500     3.500     2.500 peak   162 weight  0.10000E+01 volume  0.26551E-02 ppm1      8.313 ppm2      8.961 CV     1
 ASSI {  164}
   ( segid W   and resid 476   and name HD% )
   (( segid W   and resid 476   and name HN ))
      2.500     2.500     3.500 peak   164 weight  0.10000E+01 volume  0.46092E-02 ppm1      6.931 ppm2      8.969 CV     1
 ASSI {  167}
   (( segid W   and resid 468   and name HA ))
   (( segid W   and resid 476   and name HN ))
      5.000     3.600     1.000 peak   167 weight  0.10000E+01 volume  0.20174E-03 ppm1      4.391 ppm2      8.973 CV     1
 ASSI {  169}
   (( segid W   and resid 470   and name HB1 ))
   (( segid W   and resid 476   and name HN ))
      5.700     3.200     0.300 peak   169 weight  0.10000E+01 volume  0.29463E-03 ppm1      3.352 ppm2      8.964 CV     1
 ASSI {  174}
   ( segid W   and resid 475   and name HG1%) 
   (( segid W   and resid 476   and name HN ))
      4.000     1.900     1.900 peak   174 weight  0.10000E+01 volume  0.14990E-02 ppm1      0.982 ppm2      8.968 CV     1
 ASSI {  175}
   ( segid W   and resid 475   and name HG2%) 
   (( segid W   and resid 476   and name HN ))
      3.000     1.500     1.500 peak   175 weight  0.10000E+01 volume  0.35515E-02 ppm1      0.720 ppm2      8.969 CV     1
 ASSI {  181}
   ( segid W   and resid 477   and name HD% )
   (( segid W   and resid 477   and name HN ))
      2.300     2.300     3.700 peak   181 weight  0.10000E+01 volume  0.61304E-02 ppm1      7.080 ppm2      8.961 CV     1
 ASSI {  182}
   ( segid W   and resid 476   and name HD% )
   (( segid W   and resid 477   and name HN ))
      2.800     2.800     3.200 peak   182 weight  0.10000E+01 volume  0.30969E-02 ppm1      6.932 ppm2      8.962 CV     1
 ASSI {  183}
   (( segid W   and resid 485   and name HA ))
   (( segid W   and resid 477   and name HN ))
      5.000     3.300     1.000 peak   183 weight  0.10000E+01 volume  0.26640E-03 ppm1      5.521 ppm2      8.967 CV     1
 ASSI {  186}
   (( segid W   and resid 485   and name HB ))
   (( segid W   and resid 477   and name HN ))
      4.900     2.900     1.100 peak   186 weight  0.10000E+01 volume  0.40578E-03 ppm1      4.044 ppm2      8.958 CV     1
 ASSI {  198}
   (( segid W   and resid 478   and name HN ))
   (( segid W   and resid 467   and name HN ))
      5.600     4.400     0.400 peak   198 weight  0.10000E+01 volume  0.10844E-03 ppm1      9.531 ppm2      8.779 CV     1
 ASSI {  200}
   (( segid W   and resid 468   and name HN ))
   (( segid W   and resid 467   and name HN ))
      4.500     2.900     1.500 peak   200 weight  0.10000E+01 volume  0.42599E-03 ppm1      8.335 ppm2      8.782 CV     1
 ASSI {  211}
   ( segid W   and resid 461   and name HD1%) 
   (( segid W   and resid 467   and name HN ))
      3.000     3.000     3.000 peak   211 weight  0.10000E+01 volume  0.27735E-02 ppm1      1.124 ppm2      8.777 CV     1
 ASSI {  219}
   (( segid W   and resid 481   and name HD22)) 
   (( segid W   and resid 480   and name HN ))
      5.300     3.500     0.700 peak   219 weight  0.10000E+01 volume  0.21768E-03 ppm1      7.478 ppm2      8.716 CV     1
 ASSI {  223}
   (( segid W   and resid 482   and name HN ))
   (( segid W   and resid 480   and name HN ))
      4.900     3.100     1.100 peak   223 weight  0.10000E+01 volume  0.31468E-03 ppm1      6.273 ppm2      8.718 CV     1
 ASSI {  230}
   (( segid W   and resid 481   and name HB1 ))
   (( segid W   and resid 480   and name HN ))
      5.800     3.100     0.200 peak   230 weight  0.10000E+01 volume  0.31212E-03 ppm1      2.963 ppm2      8.720 CV     1
 ASSI {  232}
   (( segid W   and resid 479   and name HB2 ))
   (( segid W   and resid 480   and name HN ))
      3.400     2.100     2.100 peak   232 weight  0.10000E+01 volume  0.11120E-02 ppm1      2.070 ppm2      8.718 CV     1
 ASSI {  237}
   (( segid W   and resid 479   and name HB1 ))
   (( segid W   and resid 480   and name HN ))
      4.900     2.500     1.100 peak   237 weight  0.10000E+01 volume  0.63225E-03 ppm1      0.110 ppm2      8.720 CV     1
 ASSI {  240}
   (( segid W   and resid 460   and name HD1 ))
   (( segid W   and resid 461   and name HN ))
      4.900     3.300     1.100 peak   240 weight  0.10000E+01 volume  0.27425E-03 ppm1      3.603 ppm2      8.700 CV     1
 ASSI {  248}
   (( segid W   and resid 487   and name HD1 ))
   (( segid W   and resid 488   and name HN ))
      5.800     3.400     0.200 peak   248 weight  0.10000E+01 volume  0.23617E-03 ppm1      7.449 ppm2      8.656 CV     1
 ASSI {  260}
   (( segid W   and resid 488   and name HN ))
   (( segid W   and resid 489   and name HN ))
      4.900     2.400     1.100 peak   260 weight  0.10000E+01 volume  0.76205E-03 ppm1      8.646 ppm2      8.320 CV     1
 ASSI {  261}
   (( segid W   and resid 473   and name HA2 ))
   (( segid W   and resid 470   and name HN ))
      6.000     5.800     0.000 peak   261 weight  0.10000E+01 volume  0.45215E-04 ppm1      3.563 ppm2      9.813 CV     1
 ASSI {  264}
   (( segid W   and resid 479   and name HB1 ))
   (( segid W   and resid 466   and name HN ))
      6.000     5.700     0.000 peak   264 weight  0.10000E+01 volume  0.47631E-04 ppm1      0.105 ppm2      9.382 CV     1
 ASSI {  276}
   ( segid W   and resid 477   and name HD% )
   (( segid W   and resid 491   and name HN ))
      6.000     4.400     0.000 peak   276 weight  0.10000E+01 volume  0.10435E-03 ppm1      7.090 ppm2      8.639 CV     1
 ASSI {  277}
   (( segid W   and resid 492   and name HA ))
   (( segid W   and resid 491   and name HN ))
      5.700     3.700     0.300 peak   277 weight  0.10000E+01 volume  0.18125E-03 ppm1      4.386 ppm2      8.638 CV     1
 ASSI {  302}
   (( segid W   and resid 465   and name HZ3 ))
   (( segid W   and resid 479   and name HN ))
      3.400     2.000     2.000 peak   302 weight  0.10000E+01 volume  0.12727E-02 ppm1      6.800 ppm2      8.486 CV     1
 ASSI {  304}
   (( segid W   and resid 479   and name HD21)) 
   (( segid W   and resid 479   and name HN ))
      4.800     3.400     1.200 peak   304 weight  0.10000E+01 volume  0.23390E-03 ppm1      6.253 ppm2      8.486 CV     1
 ASSI {  309}
   (( segid W   and resid 477   and name HB1 ))
   (( segid W   and resid 479   and name HN ))
      6.000     4.300     0.000 peak   309 weight  0.10000E+01 volume  0.11177E-03 ppm1      3.073 ppm2      8.489 CV     1
 ASSI {  310}
   (( segid W   and resid 483   and name HA ))
   (( segid W   and resid 479   and name HN ))
      6.000     5.500     0.000 peak   310 weight  0.10000E+01 volume  0.52334E-04 ppm1      2.296 ppm2      8.483 CV     1
 ASSI {  311}
   (( segid W   and resid 486   and name HG2 ))
   (( segid W   and resid 479   and name HN ))
      5.700     4.500     0.300 peak   311 weight  0.10000E+01 volume  0.96703E-04 ppm1      2.392 ppm2      8.489 CV     1
 ASSI {  319}
   ( segid W   and resid 478   and name HD1%) 
   (( segid W   and resid 479   and name HN ))
      5.700     3.100     0.300 peak   319 weight  0.10000E+01 volume  0.31092E-03 ppm1      0.518 ppm2      8.494 CV     1
 ASSI {  320}
   ( segid W   and resid 478   and name HG2%) 
   (( segid W   and resid 479   and name HN ))
      3.300     3.300     2.700 peak   320 weight  0.10000E+01 volume  0.34336E-02 ppm1      0.260 ppm2      8.487 CV     1
 ASSI {  322}
   (( segid W   and resid 478   and name HN ))
   (( segid W   and resid 479   and name HN ))
      4.400     2.700     1.600 peak   322 weight  0.10000E+01 volume  0.51700E-03 ppm1      9.542 ppm2      8.488 CV     1
 ASSI {  332}
   (( segid W   and resid 455   and name HB2 ))
   (( segid W   and resid 456   and name HN ))
      5.000     4.300     1.000 peak   332 weight  0.10000E+01 volume  0.11895E-03 ppm1      3.900 ppm2      8.486 CV     1
 ASSI {  334}
   (( segid W   and resid 476   and name HN ))
   (( segid W   and resid 475   and name HN ))
      5.500     3.800     0.500 peak   334 weight  0.10000E+01 volume  0.17491E-03 ppm1      8.955 ppm2      8.456 CV     1
 ASSI {  339}
   (( segid W   and resid 487   and name HZ3 ))
   (( segid W   and resid 475   and name HN ))
      4.400     2.600     1.600 peak   339 weight  0.10000E+01 volume  0.54153E-03 ppm1      6.866 ppm2      8.459 CV     1
 ASSI {  356}
   (( segid W   and resid 493   and name HA ))
   (( segid W   and resid 494   and name HN ))
      3.700     2.500     2.300 peak   356 weight  0.10000E+01 volume  0.66409E-03 ppm1      4.257 ppm2      8.317 CV     1
 ASSI {  358}
   (( segid W   and resid 493   and name HB2 ))
   (( segid W   and resid 494   and name HN ))
      5.800     3.800     0.200 peak   358 weight  0.10000E+01 volume  0.16765E-03 ppm1      1.988 ppm2      8.316 CV     1
 ASSI {  375}
   (( segid W   and resid 453   and name HB ))
   (( segid W   and resid 454   and name HN ))
      5.400     4.000     0.600 peak   375 weight  0.10000E+01 volume  0.14941E-03 ppm1      2.101 ppm2      8.273 CV     1
 ASSI {  376}
   ( segid W   and resid 453   and name HG1%) 
   (( segid W   and resid 454   and name HN ))
      5.000     3.700     1.000 peak   376 weight  0.10000E+01 volume  0.19034E-03 ppm1      0.938 ppm2      8.270 CV     1
 ASSI {  381}
   (( segid W   and resid 455   and name HB1 ))
   (( segid W   and resid 455   and name HN ))
      4.100     2.700     1.900 peak   381 weight  0.10000E+01 volume  0.51157E-03 ppm1      3.870 ppm2      8.266 CV     1
 ASSI {  383}
   (( segid W   and resid 476   and name HN ))
   (( segid W   and resid 469   and name HN ))
      5.400     3.900     0.600 peak   383 weight  0.10000E+01 volume  0.15791E-03 ppm1      8.957 ppm2      8.220 CV     1
 ASSI {  390}
   (( segid W   and resid 468   and name HD1 ))
   (( segid W   and resid 469   and name HN ))
      4.400     2.500     1.600 peak   390 weight  0.10000E+01 volume  0.67615E-03 ppm1      3.233 ppm2      8.227 CV     1
 ASSI {  392}
   (( segid W   and resid 467   and name HG1 ))
   (( segid W   and resid 469   and name HN ))
      5.500     4.100     0.500 peak   392 weight  0.10000E+01 volume  0.13088E-03 ppm1      1.914 ppm2      8.227 CV     1
 ASSI {  396}
   ( segid W   and resid 475   and name HG2%) 
   (( segid W   and resid 469   and name HN ))
      4.100     2.700     1.900 peak   396 weight  0.10000E+01 volume  0.51509E-03 ppm1      0.716 ppm2      8.225 CV     1
 ASSI {  406}
   (( segid W   and resid 458   and name HG ))
   (( segid W   and resid 457   and name HN ))
      5.600     4.200     0.400 peak   406 weight  0.10000E+01 volume  0.12870E-03 ppm1      1.604 ppm2      8.190 CV     1
 OR {  406}
   (( segid W   and resid 458   and name HB1 ))
   (( segid W   and resid 457   and name HN ))
 ASSI {  416}
   (( segid W   and resid 470   and name HD2 ))
   (( segid W   and resid 473   and name HN ))
      6.000     4.200     0.000 peak   416 weight  0.10000E+01 volume  0.12638E-03 ppm1      7.318 ppm2      8.112 CV     1
 ASSI {  419}
   (( segid W   and resid 491   and name HH21)) 
   (( segid W   and resid 459   and name HN ))
      4.800     3.000     1.200 peak   419 weight  0.10000E+01 volume  0.34376E-03 ppm1      6.962 ppm2      8.126 CV     1
 ASSI {  429}
   (( segid W   and resid 470   and name HB1 ))
   (( segid W   and resid 473   and name HN ))
      4.100     3.400     1.900 peak   429 weight  0.10000E+01 volume  0.23850E-03 ppm1      3.358 ppm2      8.115 CV     1
 ASSI {  431}
   (( segid W   and resid 472   and name HB2 ))
   (( segid W   and resid 473   and name HN ))
      3.900     2.400     2.100 peak   431 weight  0.10000E+01 volume  0.73745E-03 ppm1      2.530 ppm2      8.112 CV     1
 ASSI {  433}
   (( segid W   and resid 474   and name HB2 ))
   (( segid W   and resid 473   and name HN ))
      5.500     3.500     0.500 peak   433 weight  0.10000E+01 volume  0.23039E-03 ppm1      1.895 ppm2      8.120 CV     1
 ASSI {  434}
   (( segid W   and resid 474   and name HB1 ))
   (( segid W   and resid 473   and name HN ))
      5.900     2.900     0.100 peak   434 weight  0.10000E+01 volume  0.40352E-03 ppm1      2.142 ppm2      8.110 CV     1
 ASSI {  436}
   (( segid W   and resid 458   and name HB1 ))
   (( segid W   and resid 459   and name HN ))
      3.500     1.700     1.700 peak   436 weight  0.10000E+01 volume  0.20789E-02 ppm1      1.622 ppm2      8.145 CV     1
 OR {  436}
   (( segid W   and resid 458   and name HG ))
   (( segid W   and resid 459   and name HN ))
 ASSI {  441}
   (( segid W   and resid 496   and name HA ))
   (( segid W   and resid 497   and name HN ))
      3.200     1.700     1.700 peak   441 weight  0.10000E+01 volume  0.22220E-02 ppm1      4.351 ppm2      8.128 CV     1
 ASSI {  444}
   ( segid W   and resid 496   and name HB% )
   (( segid W   and resid 497   and name HN ))
      4.900     3.700     1.100 peak   444 weight  0.10000E+01 volume  0.19265E-03 ppm1      1.371 ppm2      8.130 CV     1
 ASSI {  451}
   (( segid W   and resid 453   and name HA ))
   (( segid W   and resid 453   and name HN ))
      3.900     2.600     2.100 peak   451 weight  0.10000E+01 volume  0.58951E-03 ppm1      4.125 ppm2      8.103 CV     1
 ASSI {  452}
   (( segid W   and resid 455   and name HB1 ))
   (( segid W   and resid 453   and name HN ))
      6.000     6.000     0.000 peak   452 weight  0.10000E+01 volume  0.32715E-04 ppm1      3.836 ppm2      8.104 CV     1
 ASSI {  454}
   (( segid W   and resid 453   and name HB ))
   (( segid W   and resid 453   and name HN ))
      4.200     2.600     1.800 peak   454 weight  0.10000E+01 volume  0.54079E-03 ppm1      2.100 ppm2      8.099 CV     1
 ASSI {  456}
   ( segid W   and resid 453   and name HG1%) 
   (( segid W   and resid 453   and name HN ))
      4.600     2.900     1.400 peak   456 weight  0.10000E+01 volume  0.38243E-03 ppm1      0.931 ppm2      8.105 CV     1
 ASSI {  463}
   (( segid W   and resid 481   and name HD21)) 
   (( segid W   and resid 481   and name HN ))
      3.600     2.000     2.000 peak   463 weight  0.10000E+01 volume  0.13559E-02 ppm1      7.407 ppm2      8.045 CV     1
 ASSI {  464}
   (( segid W   and resid 483   and name HN ))
   (( segid W   and resid 481   and name HN ))
      3.300     1.800     1.800 peak   464 weight  0.10000E+01 volume  0.17780E-02 ppm1      7.159 ppm2      8.045 CV     1
 ASSI {  467}
   (( segid W   and resid 465   and name HA ))
   (( segid W   and resid 481   and name HN ))
      6.000     4.500     0.000 peak   467 weight  0.10000E+01 volume  0.10168E-03 ppm1      6.061 ppm2      8.046 CV     1
 ASSI {  474}
   (( segid W   and resid 480   and name HB2 ))
   (( segid W   and resid 481   and name HN ))
      3.600     2.100     2.100 peak   474 weight  0.10000E+01 volume  0.11443E-02 ppm1      3.104 ppm2      8.045 CV     1
 ASSI {  477}
   (( segid W   and resid 479   and name HB2 ))
   (( segid W   and resid 481   and name HN ))
      4.300     3.400     1.700 peak   477 weight  0.10000E+01 volume  0.24105E-03 ppm1      2.073 ppm2      8.049 CV     1
 ASSI {  479}
   (( segid W   and resid 483   and name HA ))
   (( segid W   and resid 481   and name HN ))
      6.000     4.900     0.000 peak   479 weight  0.10000E+01 volume  0.77188E-04 ppm1      2.312 ppm2      8.036 CV     1
 ASSI {  480}
   (( segid W   and resid 482   and name HG11)) 
   (( segid W   and resid 481   and name HN ))
      5.500     3.200     0.500 peak   480 weight  0.10000E+01 volume  0.30571E-03 ppm1      0.940 ppm2      8.045 CV     1
 ASSI {  481}
   (( segid W   and resid 482   and name HG12)) 
   (( segid W   and resid 481   and name HN ))
      4.100     2.000     1.900 peak   481 weight  0.10000E+01 volume  0.13929E-02 ppm1      0.724 ppm2      8.046 CV     1
 OR {  481}
   ( segid W   and resid 482   and name HG2%) 
   (( segid W   and resid 481   and name HN ))
 OR {  481}
   ( segid W   and resid 482   and name HD1%) 
   (( segid W   and resid 481   and name HN ))
 ASSI {  496}
   (( segid W   and resid 478   and name HA ))
   (( segid W   and resid 485   and name HN ))
      5.400     3.400     0.600 peak   496 weight  0.10000E+01 volume  0.23460E-03 ppm1      4.350 ppm2      7.993 CV     1
 ASSI {  499}
   (( segid B   and resid 618   and name HB2 ))
   (( segid W   and resid 485   and name HN ))
      4.100     2.300     1.900 peak   499 weight  0.10000E+01 volume  0.84027E-03 ppm1      2.821 ppm2      7.992 CV     1
 ASSI {  505}
   (( segid W   and resid 478   and name HG12)) 
   (( segid W   and resid 485   and name HN ))
      5.200     3.000     0.800 peak   505 weight  0.10000E+01 volume  0.35398E-03 ppm1      0.736 ppm2      7.990 CV     1
 ASSI {  507}
   (( segid W   and resid 485   and name HN ))
   (( segid W   and resid 484   and name HN ))
      4.300     2.500     1.700 peak   507 weight  0.10000E+01 volume  0.65807E-03 ppm1      8.000 ppm2      7.232 CV     1
 ASSI {  509}
   (( segid W   and resid 494   and name HD21)) 
   (( segid W   and resid 495   and name HN ))
      4.700     3.200     1.300 peak   509 weight  0.10000E+01 volume  0.28678E-03 ppm1      7.552 ppm2      7.925 CV     1
 ASSI {  512}
   (( segid W   and resid 495   and name HA ))
   (( segid W   and resid 495   and name HN ))
      3.500     2.200     2.200 peak   512 weight  0.10000E+01 volume  0.98504E-03 ppm1      4.097 ppm2      7.926 CV     1
 ASSI {  513}
   (( segid W   and resid 493   and name HA ))
   (( segid W   and resid 495   and name HN ))
      6.000     5.700     0.000 peak   513 weight  0.10000E+01 volume  0.48611E-04 ppm1      4.257 ppm2      7.928 CV     1
 ASSI {  515}
   (( segid W   and resid 494   and name HB1 ))
   (( segid W   and resid 495   and name HN ))
      4.600     3.700     1.400 peak   515 weight  0.10000E+01 volume  0.19323E-03 ppm1      2.700 ppm2      7.922 CV     1
 ASSI {  520}
   (( segid W   and resid 498   and name HA ))
   (( segid W   and resid 499   and name HN ))
      6.000     6.000     0.000 peak   520 weight  0.10000E+01 volume  0.33410E-04 ppm1      4.388 ppm2      7.931 CV     1
 ASSI {  534}
   (( segid W   and resid 463   and name HD2 ))
   (( segid W   and resid 465   and name HN ))
      6.000     6.000     0.000 peak   534 weight  0.10000E+01 volume  0.16078E-04 ppm1      3.646 ppm2      7.775 CV     1
 ASSI {  539}
   (( segid W   and resid 462   and name HD2 ))
   (( segid W   and resid 465   and name HN ))
      5.200     2.900     0.800 peak   539 weight  0.10000E+01 volume  0.39092E-03 ppm1      2.756 ppm2      7.769 CV     1
 ASSI {  540}
   (( segid W   and resid 463   and name HB1 ))
   (( segid W   and resid 465   and name HN ))
      5.400     3.200     0.600 peak   540 weight  0.10000E+01 volume  0.29769E-03 ppm1      2.430 ppm2      7.768 CV     1
 ASSI {  542}
   (( segid W   and resid 462   and name HB2 ))
   (( segid W   and resid 465   and name HN ))
      4.000     2.300     2.000 peak   542 weight  0.10000E+01 volume  0.88026E-03 ppm1      1.972 ppm2      7.771 CV     1
 ASSI {  544}
   (( segid W   and resid 461   and name HB2 ))
   (( segid W   and resid 465   and name HN ))
      4.100     2.200     1.900 peak   544 weight  0.10000E+01 volume  0.93693E-03 ppm1      1.428 ppm2      7.770 CV     1
 ASSI {  567}
   (( segid W   and resid 470   and name HA ))
   (( segid W   and resid 472   and name HN ))
      4.800     3.000     1.200 peak   567 weight  0.10000E+01 volume  0.36589E-03 ppm1      5.243 ppm2      7.455 CV     1
 ASSI {  570}
   (( segid W   and resid 473   and name HA1 ))
   (( segid W   and resid 472   and name HN ))
      5.800     3.300     0.200 peak   570 weight  0.10000E+01 volume  0.27666E-03 ppm1      4.339 ppm2      7.460 CV     1
 ASSI {  574}
   (( segid W   and resid 470   and name HB1 ))
   (( segid W   and resid 472   and name HN ))
      3.400     2.500     2.500 peak   574 weight  0.10000E+01 volume  0.61726E-03 ppm1      3.365 ppm2      7.458 CV     1
 ASSI {  584}
   (( segid W   and resid 480   and name HD2 ))
   (( segid W   and resid 484   and name HN ))
      3.800     2.100     2.100 peak   584 weight  0.10000E+01 volume  0.11307E-02 ppm1      6.892 ppm2      7.231 CV     1
 ASSI {  588}
   (( segid W   and resid 478   and name HA ))
   (( segid W   and resid 484   and name HN ))
      4.500     2.600     1.500 peak   588 weight  0.10000E+01 volume  0.58041E-03 ppm1      4.347 ppm2      7.237 CV     1
 ASSI {  589}
   (( segid W   and resid 479   and name HA ))
   (( segid W   and resid 484   and name HN ))
      4.700     3.400     1.300 peak   589 weight  0.10000E+01 volume  0.24017E-03 ppm1      3.965 ppm2      7.233 CV     1
 ASSI {  590}
   (( segid W   and resid 480   and name HA ))
   (( segid W   and resid 484   and name HN ))
      4.600     2.800     1.400 peak   590 weight  0.10000E+01 volume  0.42720E-03 ppm1      4.179 ppm2      7.232 CV     1
 ASSI {  593}
   (( segid B   and resid 618   and name HB1 ))
   (( segid W   and resid 484   and name HN ))
      6.000     6.000     0.000 peak   593 weight  0.10000E+01 volume  0.19915E-04 ppm1      2.705 ppm2      7.241 CV     1
 ASSI {  595}
   (( segid W   and resid 479   and name HB2 ))
   (( segid W   and resid 484   and name HN ))
      3.300     1.700     1.700 peak   595 weight  0.10000E+01 volume  0.20953E-02 ppm1      2.086 ppm2      7.233 CV     1
 ASSI {  609}
   (( segid W   and resid 484   and name HN ))
   (( segid W   and resid 480   and name HN ))
      5.200     3.900     0.800 peak   609 weight  0.10000E+01 volume  0.15093E-03 ppm1      7.245 ppm2      8.715 CV     1
 ASSI {  610}
   (( segid W   and resid 482   and name HG11)) 
   (( segid W   and resid 479   and name HD22)) 
      5.400     5.400     0.600 peak   610 weight  0.10000E+01 volume  0.46893E-03 ppm1      0.943 ppm2      7.214 CV     1
 ASSI {  616}
   (( segid W   and resid 484   and name HA ))
   (( segid W   and resid 483   and name HN ))
      5.600     3.900     0.400 peak   616 weight  0.10000E+01 volume  0.15611E-03 ppm1      4.894 ppm2      7.160 CV     1
 ASSI {  619}
   (( segid W   and resid 480   and name HB2 ))
   (( segid W   and resid 483   and name HN ))
      4.500     2.300     1.500 peak   619 weight  0.10000E+01 volume  0.81916E-03 ppm1      3.099 ppm2      7.165 CV     1
 ASSI {  620}
   (( segid W   and resid 483   and name HE1 ))
   (( segid W   and resid 483   and name HN ))
      5.000     2.400     1.000 peak   620 weight  0.10000E+01 volume  0.76925E-03 ppm1      2.963 ppm2      7.161 CV     1
 OR {  620}
   (( segid W   and resid 483   and name HE2 ))
   (( segid W   and resid 483   and name HN ))
 ASSI {  623}
   (( segid W   and resid 479   and name HB2 ))
   (( segid W   and resid 483   and name HN ))
      5.300     3.900     0.700 peak   623 weight  0.10000E+01 volume  0.15640E-03 ppm1      2.088 ppm2      7.158 CV     1
 ASSI {  626}
   (( segid W   and resid 483   and name HD2 ))
   (( segid W   and resid 483   and name HN ))
      3.300     2.400     2.400 peak   626 weight  0.10000E+01 volume  0.79104E-03 ppm1      1.483 ppm2      7.161 CV     1
 OR {  626}
   (( segid W   and resid 483   and name HD1 ))
   (( segid W   and resid 483   and name HN ))
 ASSI {  642}
   (( segid W   and resid 479   and name HN ))
   (( segid W   and resid 482   and name HN ))
      6.000     6.000     0.000 peak   642 weight  0.10000E+01 volume  0.16680E-04 ppm1      8.473 ppm2      6.277 CV     1
 ASSI {  655}
   (( segid W   and resid 484   and name HB2 ))
   (( segid W   and resid 482   and name HN ))
      5.500     3.700     0.500 peak   655 weight  0.10000E+01 volume  0.17986E-03 ppm1      1.635 ppm2      6.295 CV     1
 ASSI {  656}
   (( segid W   and resid 483   and name HD2 ))
   (( segid W   and resid 482   and name HN ))
      5.500     3.400     0.500 peak   656 weight  0.10000E+01 volume  0.24164E-03 ppm1      1.474 ppm2      6.293 CV     1
 OR {  656}
   (( segid W   and resid 483   and name HD1 ))
   (( segid W   and resid 482   and name HN ))
 ASSI {  658}
   (( segid W   and resid 482   and name HG12)) 
   (( segid W   and resid 482   and name HN ))
      2.300     1.200     1.200 peak   658 weight  0.10000E+01 volume  0.80648E-02 ppm1      0.725 ppm2      6.286 CV     1
 OR {  658}
   ( segid W   and resid 482   and name HG2%) 
   (( segid W   and resid 482   and name HN ))
 OR {  658}
   ( segid W   and resid 482   and name HD1%) 
   (( segid W   and resid 482   and name HN ))
 ASSI {  660}
   (( segid W   and resid 479   and name HB1 ))
   (( segid W   and resid 482   and name HN ))
      5.300     3.000     0.700 peak   660 weight  0.10000E+01 volume  0.35541E-03 ppm1      0.093 ppm2      6.285 CV     1
 ASSI {  666}
   (( segid W   and resid 465   and name HZ2 ))
   (( segid W   and resid 486   and name HE21)) 
      4.400     2.400     1.600 peak   666 weight  0.10000E+01 volume  0.73755E-03 ppm1      7.484 ppm2      7.128 CV     1
 ASSI {  679}
   (( segid W   and resid 490   and name HG2 ))
   (( segid W   and resid 486   and name HE21)) 
      6.000     3.700     0.000 peak   679 weight  0.10000E+01 volume  0.19092E-03 ppm1      0.095 ppm2      7.124 CV     1
 ASSI {  680}
   (( segid W   and resid 490   and name HG1 ))
   (( segid W   and resid 486   and name HE21)) 
      5.600     4.300     0.400 peak   680 weight  0.10000E+01 volume  0.11629E-03 ppm1      0.556 ppm2      7.115 CV     1
 ASSI {  683}
   (( segid W   and resid 480   and name HB2 ))
   (( segid W   and resid 464   and name HN ))
      6.000     6.000     0.000 peak   683 weight  0.10000E+01 volume  0.39389E-04 ppm1      3.103 ppm2      8.996 CV     1
 ASSI {  688}
   (( segid W   and resid 462   and name HD1 ))
   (( segid W   and resid 461   and name HN ))
      4.800     2.400     1.200 peak   688 weight  0.10000E+01 volume  0.77476E-03 ppm1      3.320 ppm2      8.694 CV     1
 ASSI {  690}
   (( segid W   and resid 461   and name HG ))
   (( segid W   and resid 461   and name HN ))
      2.500     1.000     1.000 peak   690 weight  0.10000E+01 volume  0.13357E-01 ppm1      1.808 ppm2      8.695 CV     1
 OR {  690}
   (( segid W   and resid 461   and name HB1 ))
   (( segid W   and resid 461   and name HN ))
 ASSI {  691}
   ( segid W   and resid 461   and name HD1%) 
   (( segid W   and resid 461   and name HN ))
      4.500     1.900     1.500 peak   691 weight  0.10000E+01 volume  0.16787E-02 ppm1      1.125 ppm2      8.694 CV     1
 ASSI {  696}
   (( segid W   and resid 492   and name HN ))
   (( segid W   and resid 491   and name HE ))
      4.200     2.300     1.800 peak   696 weight  0.10000E+01 volume  0.83145E-03 ppm1      7.322 ppm2      8.700 CV     1
 ASSI {  698}
   (( segid W   and resid 494   and name HD22)) 
   (( segid W   and resid 491   and name HE ))
      6.000     6.000     0.000 peak   698 weight  0.10000E+01 volume  0.93670E-05 ppm1      6.830 ppm2      8.693 CV     1
 ASSI {  700}
   (( segid W   and resid 461   and name HA ))
   (( segid W   and resid 491   and name HE ))
      5.500     3.300     0.500 peak   700 weight  0.10000E+01 volume  0.27784E-03 ppm1      4.093 ppm2      8.705 CV     1
 ASSI {  704}
   (( segid W   and resid 491   and name HB2 ))
   (( segid W   and resid 491   and name HE ))
      2.300     1.400     1.400 peak   704 weight  0.10000E+01 volume  0.42694E-02 ppm1      1.839 ppm2      8.699 CV     1
 ASSI {  708}
   (( segid W   and resid 458   and name HB2 ))
   (( segid W   and resid 491   and name HE ))
      5.100     4.500     0.900 peak   708 weight  0.10000E+01 volume  0.98147E-04 ppm1      1.422 ppm2      8.703 CV     1
 ASSI {  709}
   (( segid W   and resid 461   and name HA ))
   (( segid W   and resid 491   and name HN ))
      5.300     2.800     0.700 peak   709 weight  0.10000E+01 volume  0.46357E-03 ppm1      4.110 ppm2      8.635 CV     1
 ASSI {  721}
   (( segid W   and resid 490   and name HD1 ))
   (( segid W   and resid 489   and name HN ))
      3.700     1.700     1.700 peak   721 weight  0.10000E+01 volume  0.23630E-02 ppm1      2.710 ppm2      8.324 CV     1
 OR {  721}
   (( segid W   and resid 490   and name HD2 ))
   (( segid W   and resid 489   and name HN ))
 ASSI {  731}
   ( segid W   and resid 476   and name HD% )
   (( segid W   and resid 468   and name HN ))
      3.600     2.200     2.200 peak   731 weight  0.10000E+01 volume  0.91026E-03 ppm1      6.926 ppm2      8.339 CV     1
 ASSI {  734}
   (( segid W   and resid 465   and name HZ2 ))
   (( segid W   and resid 486   and name HE22)) 
      6.000     3.600     0.000 peak   734 weight  0.10000E+01 volume  0.19907E-03 ppm1      7.476 ppm2      8.317 CV     1
 OR {  734}
   (( segid W   and resid 465   and name HE3 ))
   (( segid W   and resid 486   and name HE22)) 
 ASSI {  736}
   (( segid W   and resid 465   and name HZ3 ))
   (( segid W   and resid 486   and name HE22)) 
      4.400     2.500     1.600 peak   736 weight  0.10000E+01 volume  0.63715E-03 ppm1      6.801 ppm2      8.317 CV     1
 ASSI {  744}
   (( segid W   and resid 490   and name HB1 ))
   (( segid W   and resid 486   and name HE22)) 
      4.400     2.400     1.600 peak   744 weight  0.10000E+01 volume  0.70584E-03 ppm1      0.873 ppm2      8.317 CV     1
 OR {  744}
   (( segid W   and resid 490   and name HB2 ))
   (( segid W   and resid 486   and name HE22)) 
 ASSI {  752}
   (( segid W   and resid 474   and name HD1 ))
   (( segid W   and resid 474   and name HN ))
      4.100     2.000     1.900 peak   752 weight  0.10000E+01 volume  0.12990E-02 ppm1      2.664 ppm2      8.218 CV     1
 ASSI {  753}
   (( segid W   and resid 472   and name HB2 ))
   (( segid W   and resid 474   and name HN ))
      3.500     2.400     2.400 peak   753 weight  0.10000E+01 volume  0.74225E-03 ppm1      2.536 ppm2      8.206 CV     1
 ASSI {  755}
   (( segid W   and resid 473   and name HA2 ))
   (( segid W   and resid 474   and name HN ))
      3.500     1.900     1.900 peak   755 weight  0.10000E+01 volume  0.17032E-02 ppm1      3.552 ppm2      8.214 CV     1
 ASSI {  757}
   (( segid W   and resid 469   and name HA ))
   (( segid W   and resid 474   and name HN ))
      3.600     3.600     2.400 peak   757 weight  0.10000E+01 volume  0.26561E-02 ppm1      4.729 ppm2      8.211 CV     1
 ASSI {  758}
   (( segid W   and resid 470   and name HA ))
   (( segid W   and resid 474   and name HN ))
      6.000     4.300     0.000 peak   758 weight  0.10000E+01 volume  0.11230E-03 ppm1      5.259 ppm2      8.209 CV     1
 ASSI {  762}
   (( segid W   and resid 474   and name HE ))
   (( segid W   and resid 474   and name HN ))
      4.900     2.500     1.100 peak   762 weight  0.10000E+01 volume  0.67437E-03 ppm1      7.308 ppm2      8.211 CV     1
 ASSI {  765}
   (( segid W   and resid 473   and name HN ))
   (( segid W   and resid 474   and name HN ))
      3.300     2.200     2.200 peak   765 weight  0.10000E+01 volume  0.10157E-02 ppm1      8.091 ppm2      8.216 CV     1
 ASSI {  788}
   (( segid W   and resid 494   and name HB1 ))
   (( segid W   and resid 494   and name HD21)) 
      4.400     3.300     1.600 peak   788 weight  0.10000E+01 volume  0.26007E-03 ppm1      2.706 ppm2      7.550 CV     1
 ASSI {  789}
   (( segid W   and resid 481   and name HN ))
   (( segid W   and resid 481   and name HD22)) 
      3.700     2.800     2.300 peak   789 weight  0.10000E+01 volume  0.45668E-03 ppm1      8.048 ppm2      7.490 CV     1
 ASSI {  794}
   (( segid W   and resid 465   and name HD1 ))
   (( segid W   and resid 481   and name HD21)) 
      3.600     2.400     2.400 peak   794 weight  0.10000E+01 volume  0.70048E-03 ppm1      7.107 ppm2      7.416 CV     1
 ASSI {  795}
   (( segid W   and resid 483   and name HN ))
   (( segid W   and resid 481   and name HD21)) 
      3.300     2.500     2.500 peak   795 weight  0.10000E+01 volume  0.67190E-03 ppm1      7.168 ppm2      7.409 CV     1
 ASSI {  797}
   (( segid W   and resid 482   and name HN ))
   (( segid W   and resid 481   and name HD21)) 
      5.900     3.000     0.100 peak   797 weight  0.10000E+01 volume  0.37480E-03 ppm1      6.273 ppm2      7.412 CV     1
 ASSI {  800}
   (( segid W   and resid 464   and name HA2 ))
   (( segid W   and resid 481   and name HD22)) 
      5.200     2.500     0.800 peak   800 weight  0.10000E+01 volume  0.67583E-03 ppm1      3.818 ppm2      7.491 CV     1
 ASSI {  804}
   (( segid W   and resid 482   and name HG12)) 
   (( segid W   and resid 481   and name HD21)) 
      5.400     2.800     0.600 peak   804 weight  0.10000E+01 volume  0.42757E-03 ppm1      0.724 ppm2      7.408 CV     1
 ASSI {  806}
   (( segid W   and resid 481   and name HB1 ))
   (( segid W   and resid 481   and name HD21)) 
      3.800     1.500     1.500 peak   806 weight  0.10000E+01 volume  0.32331E-02 ppm1      2.954 ppm2      7.409 CV     1
 ASSI {  819}
   (( segid W   and resid 489   and name HA ))
   (( segid W   and resid 492   and name HN ))
      5.400     3.700     0.600 peak   819 weight  0.10000E+01 volume  0.19186E-03 ppm1      2.884 ppm2      7.310 CV     1
 ASSI {  821}
   (( segid W   and resid 491   and name HG1 ))
   (( segid W   and resid 492   and name HN ))
      3.400     2.700     2.600 peak   821 weight  0.10000E+01 volume  0.51323E-03 ppm1      1.727 ppm2      7.313 CV     1
 ASSI {  823}
   (( segid W   and resid 491   and name HG2 ))
   (( segid W   and resid 492   and name HN ))
      4.600     2.900     1.400 peak   823 weight  0.10000E+01 volume  0.42546E-03 ppm1      1.158 ppm2      7.305 CV     1
 ASSI {  825}
   (( segid W   and resid 490   and name HG1 ))
   (( segid W   and resid 492   and name HN ))
      6.000     5.900     0.000 peak   825 weight  0.10000E+01 volume  0.42040E-04 ppm1      0.562 ppm2      7.317 CV     1
 ASSI {  833}
   (( segid W   and resid 474   and name HG2 ))
   (( segid W   and resid 474   and name HE ))
      3.400     2.200     2.200 peak   833 weight  0.10000E+01 volume  0.94184E-03 ppm1      1.620 ppm2      7.294 CV     1
 OR {  833}
   (( segid W   and resid 474   and name HG1 ))
   (( segid W   and resid 474   and name HE ))
 ASSI {  835}
   (( segid W   and resid 481   and name HN ))
   (( segid W   and resid 479   and name HD22)) 
      6.000     4.300     0.000 peak   835 weight  0.10000E+01 volume  0.11704E-03 ppm1      8.056 ppm2      7.210 CV     1
 ASSI {  836}
   (( segid W   and resid 481   and name HD22)) 
   (( segid W   and resid 479   and name HD22)) 
      2.800     1.900     1.900 peak   836 weight  0.10000E+01 volume  0.16430E-02 ppm1      7.478 ppm2      7.213 CV     1
 ASSI {  840}
   (( segid W   and resid 479   and name HA ))
   (( segid W   and resid 479   and name HD22)) 
      5.800     3.500     0.200 peak   840 weight  0.10000E+01 volume  0.22702E-03 ppm1      3.964 ppm2      7.213 CV     1
 ASSI {  844}
   (( segid W   and resid 481   and name HB1 ))
   (( segid W   and resid 479   and name HD22)) 
      5.500     2.800     0.500 peak   844 weight  0.10000E+01 volume  0.46091E-03 ppm1      2.943 ppm2      7.214 CV     1
 ASSI {  845}
   (( segid W   and resid 481   and name HB2 ))
   (( segid W   and resid 479   and name HD22)) 
      4.600     3.500     1.400 peak   845 weight  0.10000E+01 volume  0.21627E-03 ppm1      2.721 ppm2      7.208 CV     1
 ASSI {  847}
   (( segid W   and resid 482   and name HB ))
   (( segid W   and resid 479   and name HD22)) 
      6.000     5.400     0.000 peak   847 weight  0.10000E+01 volume  0.57822E-04 ppm1      1.942 ppm2      7.207 CV     1
 ASSI {  854}
   (( segid W   and resid 487   and name HA ))
   (( segid W   and resid 477   and name HN ))
      2.900     1.400     1.400 peak   854 weight  0.10000E+01 volume  0.39888E-02 ppm1      5.246 ppm2      8.961 CV     1
 ASSI {  859}
   (( segid W   and resid 491   and name HG2 ))
   (( segid W   and resid 491   and name HH21)) 
      5.900     3.200     0.100 peak   859 weight  0.10000E+01 volume  0.30937E-03 ppm1      1.158 ppm2      6.982 CV     1
 ASSI {  860}
   (( segid W   and resid 468   and name HG2 ))
   (( segid W   and resid 468   and name HE ))
      4.000     2.900     2.000 peak   860 weight  0.10000E+01 volume  0.41906E-03 ppm1      1.244 ppm2      7.183 CV     1
 ASSI {  866}
   (( segid W   and resid 467   and name HB2 ))
   (( segid W   and resid 476   and name HN ))
      4.200     1.800     1.800 peak   866 weight  0.10000E+01 volume  0.18765E-02 ppm1      1.847 ppm2      8.969 CV     1
 OR {  866}
   (( segid W   and resid 467   and name HB1 ))
   (( segid W   and resid 476   and name HN ))
 ASSI {  867}
   (( segid W   and resid 493   and name HG2 ))
   (( segid W   and resid 493   and name HE21)) 
      3.400     2.100     2.100 peak   867 weight  0.10000E+01 volume  0.11393E-02 ppm1      2.250 ppm2      7.462 CV     1
 OR {  867}
   (( segid W   and resid 493   and name HG1 ))
   (( segid W   and resid 493   and name HE21)) 
 ASSI {  868}
   (( segid W   and resid 493   and name HG2 ))
   (( segid W   and resid 493   and name HE22)) 
      4.800     4.800     1.200 peak   868 weight  0.10000E+01 volume  0.58563E-03 ppm1      2.234 ppm2      6.812 CV     1
 OR {  868}
   (( segid W   and resid 493   and name HG1 ))
   (( segid W   and resid 493   and name HE22)) 
 ASSI {  870}
   (( segid W   and resid 466   and name HB1 ))
   (( segid W   and resid 478   and name HN ))
      4.800     3.100     1.200 peak   870 weight  0.10000E+01 volume  0.34112E-03 ppm1      2.129 ppm2      9.542 CV     1
 ASSI {  875}
   (( segid W   and resid 487   and name HN ))
   (( segid W   and resid 487   and name HE1 ))
      6.000     4.600     0.000 peak   875 weight  0.10000E+01 volume  0.94573E-04 ppm1      9.099 ppm2     10.286 CV     1
 ASSI {  878}
   (( segid W   and resid 487   and name HH2 ))
   (( segid W   and resid 487   and name HE1 ))
      5.000     2.800     1.000 peak   878 weight  0.10000E+01 volume  0.44129E-03 ppm1      6.814 ppm2     10.288 CV     1
 ASSI {  879}
   (( segid W   and resid 487   and name HE3 ))
   (( segid W   and resid 487   and name HE1 ))
      6.000     5.400     0.000 peak   879 weight  0.10000E+01 volume  0.55466E-04 ppm1      8.312 ppm2     10.291 CV     1
 ASSI {  884}
   (( segid W   and resid 487   and name HB1 ))
   (( segid W   and resid 487   and name HE1 ))
      5.000     2.700     1.000 peak   884 weight  0.10000E+01 volume  0.49242E-03 ppm1      3.148 ppm2     10.284 CV     1
 ASSI {  900}
   (( segid W   and resid 465   and name HA ))
   (( segid W   and resid 464   and name HN ))
      5.700     3.900     0.300 peak   900 weight  0.10000E+01 volume  0.15266E-03 ppm1      6.084 ppm2      8.997 CV     1
 ASSI {  909}
   (( segid W   and resid 456   and name HB1 ))
   (( segid W   and resid 456   and name HD22)) 
      5.700     3.600     0.300 peak   909 weight  0.10000E+01 volume  0.21007E-03 ppm1      2.785 ppm2      6.872 CV     1
 OR {  909}
   (( segid W   and resid 456   and name HB2 ))
   (( segid W   and resid 456   and name HD22)) 
 ASSI {  914}
   (( segid W   and resid 494   and name HB1 ))
   (( segid W   and resid 494   and name HD22)) 
      5.500     5.500     0.500 peak   914 weight  0.10000E+01 volume  0.29383E-03 ppm1      2.716 ppm2      6.850 CV     1
 ASSI {  919}
   (( segid W   and resid 493   and name HA ))
   (( segid W   and resid 493   and name HE21)) 
      4.800     3.600     1.200 peak   919 weight  0.10000E+01 volume  0.19888E-03 ppm1      4.251 ppm2      7.467 CV     1
 ASSI {  929}
   (( segid W   and resid 481   and name HN ))
   (( segid W   and resid 479   and name HD21)) 
      6.000     4.100     0.000 peak   929 weight  0.10000E+01 volume  0.13335E-03 ppm1      8.043 ppm2      6.231 CV     1
 ASSI {  932}
   (( segid W   and resid 479   and name HA ))
   (( segid W   and resid 479   and name HD21)) 
      5.800     3.200     0.200 peak   932 weight  0.10000E+01 volume  0.30259E-03 ppm1      3.959 ppm2      6.234 CV     1
 ASSI {  934}
   (( segid W   and resid 481   and name HB2 ))
   (( segid W   and resid 479   and name HD21)) 
      5.900     4.800     0.100 peak   934 weight  0.10000E+01 volume  0.84097E-04 ppm1      2.715 ppm2      6.231 CV     1
 ASSI {  936}
   (( segid W   and resid 482   and name HB ))
   (( segid W   and resid 479   and name HD21)) 
      6.000     3.900     0.000 peak   936 weight  0.10000E+01 volume  0.15151E-03 ppm1      1.934 ppm2      6.231 CV     1
 ASSI {  942}
   (( segid W   and resid 469   and name HA ))
   (( segid W   and resid 468   and name HE ))
      3.300     3.300     2.700 peak   942 weight  0.10000E+01 volume  0.52234E-02 ppm1      4.732 ppm2      7.187 CV     1
 ASSI {  957}
   (( segid W   and resid 461   and name HA ))
   (( segid W   and resid 491   and name HH21)) 
      6.000     4.800     0.000 peak   957 weight  0.10000E+01 volume  0.81928E-04 ppm1      4.103 ppm2      6.989 CV     1
 ASSI {  971}
   (( segid W   and resid 493   and name HB2 ))
   (( segid W   and resid 493   and name HE21)) 
      5.500     3.700     0.500 peak   971 weight  0.10000E+01 volume  0.18864E-03 ppm1      2.023 ppm2      7.461 CV     1
 ASSI {  974}
   (( segid W   and resid 463   and name HD2 ))
   (( segid W   and resid 465   and name HE1 ))
      6.000     6.000     0.000 peak   974 weight  0.10000E+01 volume  0.36031E-04 ppm1      3.644 ppm2     10.551 CV     1
 ASSI {  975}
   (( segid W   and resid 464   and name HA1 ))
   (( segid W   and resid 465   and name HE1 ))
      5.700     4.500     0.300 peak   975 weight  0.10000E+01 volume  0.10060E-03 ppm1      4.299 ppm2     10.538 CV     1
 ASSI {  978}
   (( segid W   and resid 470   and name HD2 ))
   (( segid W   and resid 471   and name HN ))
      5.200     4.200     0.800 peak   978 weight  0.10000E+01 volume  0.12285E-03 ppm1      7.326 ppm2      6.922 CV     1
 ASSI {  986}
   (( segid W   and resid 465   and name HE1 ))
   (( segid W   and resid 481   and name HD21)) 
      4.400     3.200     1.600 peak   986 weight  0.10000E+01 volume  0.29571E-03 ppm1     10.538 ppm2      7.410 CV     1
 ASSI {  989}
   (( segid W   and resid 488   and name HG1 ))
   (( segid W   and resid 489   and name HN ))
      2.900     1.300     1.300 peak   989 weight  0.10000E+01 volume  0.55087E-02 ppm1      2.492 ppm2      8.320 CV     1
 ASSI {  992}
   (( segid W   and resid 465   and name HE3 ))
   (( segid W   and resid 486   and name HN ))
      6.000     4.400     0.000 peak   992 weight  0.10000E+01 volume  0.10481E-03 ppm1      7.467 ppm2      9.296 CV     1
 OR {  992}
   (( segid W   and resid 465   and name HZ2 ))
   (( segid W   and resid 486   and name HN ))
 ASSI {  993}
   (( segid W   and resid 470   and name HA ))
   (( segid W   and resid 476   and name HN ))
      4.300     2.300     1.700 peak   993 weight  0.10000E+01 volume  0.87202E-03 ppm1      5.255 ppm2      8.969 CV     1
 ASSI {  998}
   (( segid W   and resid 465   and name HB1 ))
   (( segid W   and resid 480   and name HN ))
      6.000     5.600     0.000 peak   998 weight  0.10000E+01 volume  0.50718E-04 ppm1      3.389 ppm2      8.710 CV     1
 ASSI { 1001}
   (( segid W   and resid 477   and name HN ))
   (( segid W   and resid 488   and name HN ))
      5.700     4.700     0.300 peak  1001 weight  0.10000E+01 volume  0.88589E-04 ppm1      8.957 ppm2      8.643 CV     1
 ASSI { 1047}
   (( segid W   and resid 486   and name HN ))
   (( segid W   and resid 477   and name HB2 ))
      4.500     3.500     1.500 peak  1047 weight  0.10000E+01 volume  0.22718E-03 ppm1      9.291 ppm2      3.287 CV     1
 ASSI { 1060}
   (( segid W   and resid 487   and name HN ))
   (( segid W   and resid 486   and name HG2 ))
      4.000     1.700     1.700 peak  1060 weight  0.10000E+01 volume  0.23353E-02 ppm1      9.119 ppm2      2.410 CV     1
 ASSI { 1082}
   (( segid W   and resid 467   and name HN ))
   (( segid W   and resid 477   and name HA ))
      4.300     2.500     1.700 peak  1082 weight  0.10000E+01 volume  0.63877E-03 ppm1      8.775 ppm2      5.282 CV     1
 ASSI { 1101}
   (( segid W   and resid 486   and name HN ))
   (( segid W   and resid 476   and name HB1 ))
      5.600     3.000     0.400 peak  1101 weight  0.10000E+01 volume  0.36344E-03 ppm1      9.291 ppm2      2.516 CV     1
 ASSI { 1107}
   (( segid W   and resid 488   and name HN ))
   (( segid W   and resid 486   and name HG2 ))
      4.000     1.800     1.800 peak  1107 weight  0.10000E+01 volume  0.18552E-02 ppm1      8.646 ppm2      2.409 CV     1
 ASSI { 1128}
   (( segid W   and resid 479   and name HN ))
   (( segid W   and resid 465   and name HA ))
      5.000     2.900     1.000 peak  1128 weight  0.10000E+01 volume  0.38827E-03 ppm1      8.474 ppm2      6.066 CV     1
 ASSI { 1139}
   (( segid W   and resid 479   and name HN ))
   (( segid W   and resid 478   and name HB ))
      4.900     2.700     1.100 peak  1139 weight  0.10000E+01 volume  0.50313E-03 ppm1      8.474 ppm2      1.503 CV     1
 ASSI { 1141}
   (( segid W   and resid 479   and name HN ))
   (( segid W   and resid 465   and name HE3 ))
      5.300     4.500     0.700 peak  1141 weight  0.10000E+01 volume  0.98436E-04 ppm1      8.474 ppm2      7.465 CV     1
 ASSI { 1175}
   (( segid W   and resid 457   and name HN ))
   (( segid W   and resid 458   and name HA ))
      3.100     3.100     2.900 peak  1175 weight  0.10000E+01 volume  0.38294E-02 ppm1      8.172 ppm2      4.232 CV     1
 ASSI { 1182}
   (( segid W   and resid 453   and name HN ))
   (( segid W   and resid 452   and name HA ))
      3.100     1.600     1.600 peak  1182 weight  0.10000E+01 volume  0.24909E-02 ppm1      8.086 ppm2      4.496 CV     1
 ASSI { 1202}
   (( segid W   and resid 495   and name HN ))
   (( segid W   and resid 456   and name HB1 ))
      4.100     3.700     1.900 peak  1202 weight  0.10000E+01 volume  0.18346E-03 ppm1      7.919 ppm2      2.819 CV     1
 OR { 1202}
   (( segid W   and resid 495   and name HN ))
   (( segid W   and resid 456   and name HB2 ))
 ASSI { 1223}
   (( segid W   and resid 487   and name HD1 ))
   (( segid W   and resid 487   and name HA ))
      4.100     2.200     1.900 peak  1223 weight  0.10000E+01 volume  0.98215E-03 ppm1      7.441 ppm2      5.239 CV     1
 ASSI { 1226}
   (( segid W   and resid 472   and name HN ))
   (( segid W   and resid 473   and name HA2 ))
      5.600     3.000     0.400 peak  1226 weight  0.10000E+01 volume  0.35192E-03 ppm1      7.441 ppm2      3.552 CV     1
 ASSI { 1227}
   (( segid W   and resid 465   and name HZ2 ))
   (( segid W   and resid 465   and name HB1 ))
      3.500     3.500     2.500 peak  1227 weight  0.10000E+01 volume  0.16737E-02 ppm1      7.484 ppm2      3.370 CV     1
 ASSI { 1230}
   (( segid W   and resid 484   and name HN ))
   (( segid W   and resid 485   and name HA ))
      5.200     3.500     0.800 peak  1230 weight  0.10000E+01 volume  0.21760E-03 ppm1      7.226 ppm2      5.531 CV     1
 ASSI { 1246}
   (( segid W   and resid 479   and name HD22)) 
   (( segid W   and resid 482   and name HG12)) 
      3.700     2.000     2.000 peak  1246 weight  0.10000E+01 volume  0.14083E-02 ppm1      7.226 ppm2      0.732 CV     1
 ASSI { 1263}
   (( segid W   and resid 482   and name HN ))
   ( segid W   and resid 482   and name HG2%) 
      3.300     1.500     1.500 peak  1263 weight  0.10000E+01 volume  0.31058E-02 ppm1      6.279 ppm2      0.725 CV     1
 ASSI { 1264}
   (( segid W   and resid 482   and name HN ))
   ( segid W   and resid 482   and name HD1%) 
      3.800     1.400     1.400 peak  1264 weight  0.10000E+01 volume  0.45632E-02 ppm1      6.280 ppm2      0.747 CV     1
 ASSI { 1269}
   (( segid W   and resid 487   and name HN ))
   (( segid W   and resid 488   and name HB1 ))
      6.000     3.800     0.000 peak  1269 weight  0.10000E+01 volume  0.17115E-03 ppm1      9.119 ppm2      2.039 CV     1
 ASSI { 1271}
   (( segid W   and resid 461   and name HN ))
   ( segid W   and resid 461   and name HD2%) 
      2.800     1.400     1.400 peak  1271 weight  0.10000E+01 volume  0.40591E-02 ppm1      8.689 ppm2      0.801 CV     1
 ASSI { 1307}
   (( segid W   and resid 486   and name HE22)) 
   (( segid W   and resid 465   and name HH2 ))
      4.600     2.700     1.400 peak  1307 weight  0.10000E+01 volume  0.51343E-03 ppm1      8.302 ppm2      7.128 CV     1
 ASSI { 1310}
   (( segid W   and resid 486   and name HE22)) 
   (( segid W   and resid 490   and name HD1 ))
      2.600     1.700     1.700 peak  1310 weight  0.10000E+01 volume  0.21535E-02 ppm1      8.302 ppm2      2.727 CV     1
 OR { 1310}
   (( segid W   and resid 486   and name HE22)) 
   (( segid W   and resid 490   and name HD2 ))
 ASSI { 1315}
   (( segid W   and resid 486   and name HE22)) 
   (( segid W   and resid 490   and name HG2 ))
      5.900     3.200     0.100 peak  1315 weight  0.10000E+01 volume  0.29595E-03 ppm1      8.302 ppm2      0.089 CV     1
 ASSI { 1325}
   (( segid W   and resid 474   and name HN ))
   (( segid W   and resid 472   and name HB1 ))
      4.500     2.800     1.500 peak  1325 weight  0.10000E+01 volume  0.43404E-03 ppm1      8.216 ppm2      3.102 CV     1
 ASSI { 1330}
   (( segid W   and resid 493   and name HN ))
   (( segid W   and resid 492   and name HB1 ))
      4.400     3.400     1.600 peak  1330 weight  0.10000E+01 volume  0.24819E-03 ppm1      7.613 ppm2      1.934 CV     1
 ASSI { 1332}
   (( segid W   and resid 493   and name HN ))
   (( segid W   and resid 493   and name HG2 ))
      4.500     2.600     1.500 peak  1332 weight  0.10000E+01 volume  0.58607E-03 ppm1      7.613 ppm2      2.257 CV     1
 OR { 1332}
   (( segid W   and resid 493   and name HN ))
   (( segid W   and resid 493   and name HG1 ))
 ASSI { 1343}
   ( segid W   and resid 477   and name HE% )
   (( segid W   and resid 489   and name HA ))
      3.100     1.800     1.800 peak  1343 weight  0.10000E+01 volume  0.19755E-02 ppm1      7.355 ppm2      2.895 CV     1
 ASSI { 1358}
   (( segid W   and resid 466   and name HA ))
   (( segid W   and resid 465   and name HA ))
      4.400     2.700     1.600 peak  1358 weight  0.10000E+01 volume  0.47952E-03 ppm1      4.807 ppm2      6.062 CV     1
 ASSI { 1359}
   (( segid W   and resid 464   and name HA1 ))
   (( segid W   and resid 465   and name HA ))
      4.500     3.100     1.500 peak  1359 weight  0.10000E+01 volume  0.31062E-03 ppm1      4.296 ppm2      6.068 CV     1
 ASSI { 1361}
   (( segid W   and resid 465   and name HB1 ))
   (( segid W   and resid 465   and name HA ))
      2.400     1.300     1.300 peak  1361 weight  0.10000E+01 volume  0.48923E-02 ppm1      3.376 ppm2      6.074 CV     1
 ASSI { 1364}
   (( segid W   and resid 479   and name HB2 ))
   (( segid W   and resid 465   and name HA ))
      4.400     2.200     1.600 peak  1364 weight  0.10000E+01 volume  0.91556E-03 ppm1      2.099 ppm2      6.072 CV     1
 ASSI { 1365}
   (( segid W   and resid 478   and name HB ))
   (( segid W   and resid 465   and name HA ))
      4.500     2.500     1.500 peak  1365 weight  0.10000E+01 volume  0.60912E-03 ppm1      1.489 ppm2      6.075 CV     1
 ASSI { 1369}
   (( segid W   and resid 479   and name HB1 ))
   (( segid W   and resid 465   and name HA ))
      4.700     2.600     1.300 peak  1369 weight  0.10000E+01 volume  0.60182E-03 ppm1      0.092 ppm2      6.062 CV     1
 ASSI { 1374}
   (( segid W   and resid 466   and name HG1 ))
   (( segid W   and resid 465   and name HA ))
      5.500     3.700     0.500 peak  1374 weight  0.10000E+01 volume  0.17993E-03 ppm1      2.423 ppm2      6.080 CV     1
 ASSI { 1387}
   (( segid W   and resid 465   and name HZ3 ))
   (( segid W   and resid 485   and name HA ))
      4.400     3.100     1.600 peak  1387 weight  0.10000E+01 volume  0.32621E-03 ppm1      6.804 ppm2      5.522 CV     1
 ASSI { 1398}
   (( segid W   and resid 478   and name HB ))
   (( segid W   and resid 485   and name HA ))
      3.800     2.300     2.200 peak  1398 weight  0.10000E+01 volume  0.84139E-03 ppm1      1.497 ppm2      5.528 CV     1
 ASSI { 1399}
   (( segid W   and resid 478   and name HG11)) 
   (( segid W   and resid 485   and name HA ))
      2.700     1.700     1.700 peak  1399 weight  0.10000E+01 volume  0.21323E-02 ppm1      1.331 ppm2      5.527 CV     1
 ASSI { 1400}
   ( segid W   and resid 485   and name HG2%) 
   (( segid W   and resid 485   and name HA ))
      2.800     2.800     3.200 peak  1400 weight  0.10000E+01 volume  0.62093E-02 ppm1      1.201 ppm2      5.523 CV     1
 ASSI { 1412}
   (( segid W   and resid 485   and name HA ))
   ( segid W   and resid 478   and name HD1%) 
      5.400     3.200     0.600 peak  1412 weight  0.10000E+01 volume  0.28101E-03 ppm1      5.505 ppm2      0.508 CV     1
 ASSI { 1416}
   ( segid W   and resid 477   and name HE% )
   (( segid W   and resid 477   and name HA ))
      4.200     2.200     1.800 peak  1416 weight  0.10000E+01 volume  0.98309E-03 ppm1      7.351 ppm2      5.280 CV     1
 ASSI { 1424}
   (( segid W   and resid 486   and name HG1 ))
   (( segid W   and resid 477   and name HA ))
      5.700     3.400     0.300 peak  1424 weight  0.10000E+01 volume  0.23630E-03 ppm1      2.914 ppm2      5.275 CV     1
 ASSI { 1425}
   (( segid W   and resid 490   and name HD1 ))
   (( segid W   and resid 477   and name HA ))
      4.700     2.600     1.300 peak  1425 weight  0.10000E+01 volume  0.55324E-03 ppm1      2.736 ppm2      5.285 CV     1
 OR { 1425}
   (( segid W   and resid 490   and name HD2 ))
   (( segid W   and resid 477   and name HA ))
 ASSI { 1427}
   (( segid W   and resid 476   and name HB1 ))
   (( segid W   and resid 477   and name HA ))
      5.000     2.500     1.000 peak  1427 weight  0.10000E+01 volume  0.61335E-03 ppm1      2.502 ppm2      5.277 CV     1
 ASSI { 1429}
   (( segid W   and resid 478   and name HB ))
   (( segid W   and resid 477   and name HA ))
      3.400     1.900     1.900 peak  1429 weight  0.10000E+01 volume  0.16626E-02 ppm1      1.500 ppm2      5.281 CV     1
 ASSI { 1431}
   ( segid W   and resid 461   and name HD1%) 
   (( segid W   and resid 477   and name HA ))
      4.300     3.200     1.700 peak  1431 weight  0.10000E+01 volume  0.29938E-03 ppm1      1.120 ppm2      5.292 CV     1
 ASSI { 1446}
   ( segid W   and resid 477   and name HD% )
   (( segid W   and resid 487   and name HA ))
      3.300     3.300     2.700 peak  1446 weight  0.10000E+01 volume  0.18585E-02 ppm1      7.077 ppm2      5.234 CV     1
 ASSI { 1447}
   ( segid W   and resid 476   and name HD% )
   (( segid W   and resid 487   and name HA ))
      4.300     2.100     1.700 peak  1447 weight  0.10000E+01 volume  0.11616E-02 ppm1      6.926 ppm2      5.239 CV     1
 ASSI { 1452}
   (( segid W   and resid 486   and name HG1 ))
   (( segid W   and resid 487   and name HA ))
      6.000     6.000     0.000 peak  1452 weight  0.10000E+01 volume  0.33924E-04 ppm1      2.911 ppm2      5.240 CV     1
 ASSI { 1453}
   (( segid W   and resid 476   and name HB1 ))
   (( segid W   and resid 487   and name HA ))
      3.000     1.600     1.600 peak  1453 weight  0.10000E+01 volume  0.28748E-02 ppm1      2.510 ppm2      5.237 CV     1
 ASSI { 1474}
   (( segid B   and resid 618   and name HB2 ))
   (( segid W   and resid 484   and name HA ))
      3.000     3.000     3.000 peak  1474 weight  0.10000E+01 volume  0.30897E-02 ppm1      2.829 ppm2      4.882 CV     1
 ASSI { 1491}
   (( segid W   and resid 460   and name HB2 ))
   (( segid W   and resid 460   and name HA ))
      2.600     1.000     1.000 peak  1491 weight  0.10000E+01 volume  0.11172E-01 ppm1      1.964 ppm2      4.523 CV     1
 OR { 1491}
   (( segid W   and resid 460   and name HG1 ))
   (( segid W   and resid 460   and name HA ))
 ASSI { 1492}
   (( segid W   and resid 461   and name HG ))
   (( segid W   and resid 460   and name HA ))
      2.800     1.500     1.500 peak  1492 weight  0.10000E+01 volume  0.37786E-02 ppm1      1.811 ppm2      4.524 CV     1
 ASSI { 1496}
   (( segid W   and resid 460   and name HA ))
   (( segid W   and resid 491   and name HD2 ))
      5.200     2.700     0.800 peak  1496 weight  0.10000E+01 volume  0.47901E-03 ppm1      4.515 ppm2      2.752 CV     1
 OR { 1496}
   (( segid W   and resid 460   and name HA ))
   (( segid W   and resid 491   and name HD1 ))
 ASSI { 1499}
   (( segid W   and resid 460   and name HA ))
   (( segid W   and resid 461   and name HB1 ))
      4.700     2.400     1.300 peak  1499 weight  0.10000E+01 volume  0.76252E-03 ppm1      4.515 ppm2      1.798 CV     1
 ASSI { 1501}
   (( segid W   and resid 452   and name HB1 ))
   (( segid W   and resid 452   and name HA ))
      3.300     2.200     2.200 peak  1501 weight  0.10000E+01 volume  0.10380E-02 ppm1      2.325 ppm2      4.496 CV     1
 ASSI { 1506}
   (( segid W   and resid 464   and name HA2 ))
   (( segid W   and resid 463   and name HA ))
      4.100     1.600     1.600 peak  1506 weight  0.10000E+01 volume  0.27738E-02 ppm1      3.827 ppm2      4.483 CV     1
 ASSI { 1508}
   (( segid W   and resid 463   and name HA ))
   (( segid W   and resid 463   and name HD1 ))
      4.300     2.500     1.700 peak  1508 weight  0.10000E+01 volume  0.61873E-03 ppm1      4.472 ppm2      3.922 CV     1
 ASSI { 1514}
   (( segid W   and resid 474   and name HD2 ))
   (( segid W   and resid 474   and name HA ))
      3.600     1.400     1.400 peak  1514 weight  0.10000E+01 volume  0.37953E-02 ppm1      2.638 ppm2      4.434 CV     1
 ASSI { 1524}
   (( segid W   and resid 468   and name HA ))
   ( segid W   and resid 469   and name HG2%) 
      3.700     3.700     2.300 peak  1524 weight  0.10000E+01 volume  0.18320E-02 ppm1      4.386 ppm2      1.284 CV     1
 ASSI { 1535}
   (( segid W   and resid 467   and name HB2 ))
   (( segid W   and resid 468   and name HA ))
      3.600     1.800     1.800 peak  1535 weight  0.10000E+01 volume  0.17776E-02 ppm1      1.854 ppm2      4.402 CV     1
 OR { 1535}
   (( segid W   and resid 467   and name HB1 ))
   (( segid W   and resid 468   and name HA ))
 ASSI { 1536}
   (( segid W   and resid 475   and name HB ))
   (( segid W   and resid 468   and name HA ))
      4.000     2.100     2.000 peak  1536 weight  0.10000E+01 volume  0.11506E-02 ppm1      1.955 ppm2      4.379 CV     1
 ASSI { 1548}
   (( segid W   and resid 481   and name HD22)) 
   (( segid W   and resid 481   and name HA ))
      4.500     2.300     1.500 peak  1548 weight  0.10000E+01 volume  0.81670E-03 ppm1      7.476 ppm2      4.373 CV     1
 ASSI { 1552}
   (( segid W   and resid 480   and name HB1 ))
   (( segid W   and resid 481   and name HA ))
      4.100     2.600     1.900 peak  1552 weight  0.10000E+01 volume  0.57004E-03 ppm1      3.215 ppm2      4.376 CV     1
 ASSI { 1556}
   ( segid W   and resid 482   and name HG2%) 
   (( segid W   and resid 481   and name HA ))
      3.800     1.800     1.800 peak  1556 weight  0.10000E+01 volume  0.19524E-02 ppm1      0.722 ppm2      4.381 CV     1
 OR { 1556}
   (( segid W   and resid 482   and name HG12)) 
   (( segid W   and resid 481   and name HA ))
 ASSI { 1570}
   ( segid W   and resid 482   and name HG2%) 
   (( segid W   and resid 482   and name HA ))
      2.400     1.000     1.000 peak  1570 weight  0.10000E+01 volume  0.13632E-01 ppm1      0.726 ppm2      4.359 CV     1
 OR { 1570}
   ( segid W   and resid 482   and name HD1%) 
   (( segid W   and resid 482   and name HA ))
 ASSI { 1578}
   (( segid W   and resid 474   and name HG1 ))
   (( segid W   and resid 473   and name HA2 ))
      5.300     3.100     0.700 peak  1578 weight  0.10000E+01 volume  0.33473E-03 ppm1      1.632 ppm2      3.551 CV     1
 OR { 1578}
   (( segid W   and resid 474   and name HG2 ))
   (( segid W   and resid 473   and name HA2 ))
 ASSI { 1586}
   ( segid W   and resid 485   and name HG2%) 
   (( segid W   and resid 478   and name HA ))
      3.400     3.400     2.600 peak  1586 weight  0.10000E+01 volume  0.69740E-02 ppm1      1.201 ppm2      4.338 CV     1
 ASSI { 1590}
   (( segid W   and resid 479   and name HB1 ))
   (( segid W   and resid 478   and name HA ))
      4.100     2.200     1.900 peak  1590 weight  0.10000E+01 volume  0.91535E-03 ppm1      0.100 ppm2      4.342 CV     1
 ASSI { 1591}
   (( segid W   and resid 478   and name HA ))
   (( segid W   and resid 485   and name HB ))
      4.300     2.500     1.700 peak  1591 weight  0.10000E+01 volume  0.61628E-03 ppm1      4.343 ppm2      4.049 CV     1
 ASSI { 1596}
   (( segid W   and resid 478   and name HA ))
   ( segid W   and resid 478   and name HG2%) 
      2.900     1.400     1.400 peak  1596 weight  0.10000E+01 volume  0.45952E-02 ppm1      4.343 ppm2      0.261 CV     1
 ASSI { 1598}
   ( segid W   and resid 498   and name HG2%) 
   (( segid W   and resid 498   and name HB ))
      3.000     1.600     1.600 peak  1598 weight  0.10000E+01 volume  0.27919E-02 ppm1      1.194 ppm2      4.275 CV     1
 ASSI { 1599}
   (( segid W   and resid 481   and name HN ))
   (( segid W   and resid 464   and name HA1 ))
      3.500     2.100     2.100 peak  1599 weight  0.10000E+01 volume  0.10872E-02 ppm1      8.045 ppm2      4.272 CV     1
 ASSI { 1602}
   (( segid W   and resid 463   and name HA ))
   (( segid W   and resid 464   and name HA1 ))
      3.400     1.200     1.200 peak  1602 weight  0.10000E+01 volume  0.66641E-02 ppm1      4.476 ppm2      4.275 CV     1
 ASSI { 1604}
   (( segid W   and resid 465   and name HB2 ))
   (( segid W   and resid 464   and name HA1 ))
      3.900     1.900     1.900 peak  1604 weight  0.10000E+01 volume  0.15883E-02 ppm1      3.134 ppm2      4.288 CV     1
 ASSI { 1608}
   (( segid W   and resid 480   and name HD2 ))
   (( segid W   and resid 464   and name HA2 ))
      5.400     4.000     0.600 peak  1608 weight  0.10000E+01 volume  0.14133E-03 ppm1      6.896 ppm2      3.807 CV     1
 ASSI { 1611}
   (( segid W   and resid 465   and name HB2 ))
   (( segid W   and resid 464   and name HA2 ))
      4.700     2.300     1.300 peak  1611 weight  0.10000E+01 volume  0.85312E-03 ppm1      3.135 ppm2      3.817 CV     1
 ASSI { 1612}
   (( segid W   and resid 480   and name HB1 ))
   (( segid W   and resid 464   and name HA2 ))
      4.600     2.300     1.400 peak  1612 weight  0.10000E+01 volume  0.90928E-03 ppm1      3.219 ppm2      3.813 CV     1
 ASSI { 1613}
   (( segid W   and resid 463   and name HB1 ))
   (( segid W   and resid 464   and name HA2 ))
      5.800     3.300     0.200 peak  1613 weight  0.10000E+01 volume  0.25858E-03 ppm1      2.413 ppm2      3.821 CV     1
 ASSI { 1615}
   (( segid W   and resid 493   and name HE22)) 
   (( segid W   and resid 493   and name HA ))
      6.000     5.000     0.000 peak  1615 weight  0.10000E+01 volume  0.73423E-04 ppm1      6.800 ppm2      4.234 CV     1
 ASSI { 1618}
   (( segid W   and resid 494   and name HB1 ))
   (( segid W   and resid 493   and name HA ))
      4.900     2.600     1.100 peak  1618 weight  0.10000E+01 volume  0.59094E-03 ppm1      2.716 ppm2      4.242 CV     1
 ASSI { 1625}
   (( segid W   and resid 497   and name HA ))
   ( segid W   and resid 497   and name HG2%) 
      4.200     2.800     1.800 peak  1625 weight  0.10000E+01 volume  0.45398E-03 ppm1      4.257 ppm2      0.924 CV     1
 ASSI { 1642}
   (( segid W   and resid 483   and name HE1 ))
   (( segid W   and resid 480   and name HA ))
      5.900     4.000     0.100 peak  1642 weight  0.10000E+01 volume  0.14265E-03 ppm1      2.966 ppm2      4.193 CV     1
 OR { 1642}
   (( segid W   and resid 483   and name HE2 ))
   (( segid W   and resid 480   and name HA ))
 ASSI { 1644}
   (( segid W   and resid 483   and name HG2 ))
   (( segid W   and resid 480   and name HA ))
      4.400     2.100     1.600 peak  1644 weight  0.10000E+01 volume  0.12102E-02 ppm1      0.702 ppm2      4.190 CV     1
 OR { 1644}
   (( segid W   and resid 483   and name HB2 ))
   (( segid W   and resid 480   and name HA ))
 ASSI { 1647}
   (( segid W   and resid 483   and name HD2 ))
   (( segid W   and resid 480   and name HA ))
      5.300     4.500     0.700 peak  1647 weight  0.10000E+01 volume  0.98520E-04 ppm1      1.501 ppm2      4.195 CV     1
 OR { 1647}
   (( segid W   and resid 483   and name HD1 ))
   (( segid W   and resid 480   and name HA ))
 ASSI { 1648}
   ( segid B   and resid 618   and name HD% )
   (( segid W   and resid 480   and name HA ))
      2.900     2.900     3.100 peak  1648 weight  0.10000E+01 volume  0.62784E-02 ppm1      6.702 ppm2      4.194 CV     1
 ASSI { 1656}
   (( segid W   and resid 486   and name HE21)) 
   (( segid W   and resid 488   and name HA ))
      4.100     2.100     1.900 peak  1656 weight  0.10000E+01 volume  0.11474E-02 ppm1      7.114 ppm2      4.173 CV     1
 ASSI { 1657}
   (( segid W   and resid 487   and name HA ))
   (( segid W   and resid 488   and name HA ))
      3.300     1.700     1.700 peak  1657 weight  0.10000E+01 volume  0.23274E-02 ppm1      5.221 ppm2      4.169 CV     1
 ASSI { 1659}
   (( segid W   and resid 487   and name HB2 ))
   (( segid W   and resid 488   and name HA ))
      4.400     2.500     1.600 peak  1659 weight  0.10000E+01 volume  0.66309E-03 ppm1      3.600 ppm2      4.174 CV     1
 ASSI { 1662}
   (( segid W   and resid 488   and name HG1 ))
   (( segid W   and resid 488   and name HA ))
      2.700     1.400     1.400 peak  1662 weight  0.10000E+01 volume  0.46403E-02 ppm1      2.498 ppm2      4.169 CV     1
 ASSI { 1668}
   (( segid W   and resid 459   and name HA2 ))
   (( segid W   and resid 460   and name HD1 ))
      2.300     2.300     3.700 peak  1668 weight  0.10000E+01 volume  0.12140E-01 ppm1      4.171 ppm2      3.605 CV     1
 ASSI { 1680}
   (( segid W   and resid 460   and name HB1 ))
   (( segid W   and resid 459   and name HA2 ))
      5.700     3.100     0.300 peak  1680 weight  0.10000E+01 volume  0.31946E-03 ppm1      2.296 ppm2      4.172 CV     1
 ASSI { 1682}
   (( segid W   and resid 458   and name HB1 ))
   (( segid W   and resid 459   and name HA2 ))
      4.700     3.500     1.300 peak  1682 weight  0.10000E+01 volume  0.21550E-03 ppm1      1.636 ppm2      4.175 CV     1
 ASSI { 1685}
   (( segid W   and resid 459   and name HA2 ))
   (( segid W   and resid 460   and name HG1 ))
      5.000     2.400     1.000 peak  1685 weight  0.10000E+01 volume  0.74192E-03 ppm1      4.171 ppm2      1.959 CV     1
 ASSI { 1694}
   (( segid W   and resid 458   and name HB2 ))
   (( segid W   and resid 459   and name HA1 ))
      5.700     3.400     0.300 peak  1694 weight  0.10000E+01 volume  0.23271E-03 ppm1      1.411 ppm2      3.945 CV     1
 ASSI { 1698}
   (( segid W   and resid 459   and name HA1 ))
   (( segid W   and resid 460   and name HD2 ))
      3.300     3.300     2.700 peak  1698 weight  0.10000E+01 volume  0.91433E-02 ppm1      3.955 ppm2      3.563 CV     1
 ASSI { 1699}
   (( segid W   and resid 491   and name HA ))
   (( segid W   and resid 491   and name HD2 ))
      4.300     1.900     1.700 peak  1699 weight  0.10000E+01 volume  0.17008E-02 ppm1      3.912 ppm2      2.749 CV     1
 OR { 1699}
   (( segid W   and resid 491   and name HA ))
   (( segid W   and resid 491   and name HD1 ))
 ASSI { 1709}
   (( segid W   and resid 490   and name HG2 ))
   (( segid W   and resid 461   and name HA ))
      6.000     5.000     0.000 peak  1709 weight  0.10000E+01 volume  0.72584E-04 ppm1      0.095 ppm2      4.093 CV     1
 ASSI { 1718}
   (( segid W   and resid 470   and name HE1 ))
   (( segid W   and resid 471   and name HB ))
      6.000     5.000     0.000 peak  1718 weight  0.10000E+01 volume  0.72157E-04 ppm1      7.801 ppm2      4.060 CV     1
 ASSI { 1736}
   (( segid W   and resid 486   and name HG2 ))
   (( segid W   and resid 485   and name HB ))
      4.500     2.400     1.500 peak  1736 weight  0.10000E+01 volume  0.78532E-03 ppm1      2.412 ppm2      4.054 CV     1
 ASSI { 1742}
   (( segid W   and resid 468   and name HG1 ))
   (( segid W   and resid 485   and name HB ))
      4.000     2.000     2.000 peak  1742 weight  0.10000E+01 volume  0.13340E-02 ppm1      1.423 ppm2      4.052 CV     1
 ASSI { 1746}
   ( segid W   and resid 478   and name HD1%) 
   (( segid W   and resid 485   and name HB ))
      4.100     3.500     1.900 peak  1746 weight  0.10000E+01 volume  0.21970E-03 ppm1      0.510 ppm2      4.057 CV     1
 ASSI { 1747}
   ( segid W   and resid 478   and name HG2%) 
   (( segid W   and resid 485   and name HB ))
      5.500     3.100     0.500 peak  1747 weight  0.10000E+01 volume  0.32400E-03 ppm1      0.265 ppm2      4.050 CV     1
 ASSI { 1753}
   (( segid W   and resid 465   and name HZ2 ))
   (( segid W   and resid 490   and name HA ))
      5.500     3.300     0.500 peak  1753 weight  0.10000E+01 volume  0.26451E-03 ppm1      7.478 ppm2      3.995 CV     1
 ASSI { 1758}
   (( segid W   and resid 468   and name HN ))
   ( segid W   and resid 478   and name HG2%) 
      5.000     3.800     1.000 peak  1758 weight  0.10000E+01 volume  0.16357E-03 ppm1      8.319 ppm2      0.254 CV     1
 ASSI { 1771}
   (( segid W   and resid 466   and name HG1 ))
   ( segid W   and resid 478   and name HG2%) 
      5.300     2.700     0.700 peak  1771 weight  0.10000E+01 volume  0.49621E-03 ppm1      2.432 ppm2      0.262 CV     1
 ASSI { 1774}
   (( segid W   and resid 478   and name HB ))
   ( segid W   and resid 478   and name HG2%) 
      2.200     1.100     1.100 peak  1774 weight  0.10000E+01 volume  0.99123E-02 ppm1      1.498 ppm2      0.262 CV     1
 ASSI { 1775}
   (( segid W   and resid 478   and name HG11)) 
   ( segid W   and resid 478   and name HG2%) 
      3.100     1.200     1.200 peak  1775 weight  0.10000E+01 volume  0.65609E-02 ppm1      1.326 ppm2      0.260 CV     1
 ASSI { 1779}
   ( segid W   and resid 478   and name HD1%) 
   ( segid W   and resid 478   and name HG2%) 
      2.600     2.600     3.400 peak  1779 weight  0.10000E+01 volume  0.66591E-02 ppm1      0.515 ppm2      0.261 CV     1
 ASSI { 1785}
   ( segid W   and resid 478   and name HG2%) 
   (( segid W   and resid 478   and name HG12)) 
      2.600     1.600     1.600 peak  1785 weight  0.10000E+01 volume  0.28686E-02 ppm1      0.255 ppm2      0.750 CV     1
 ASSI { 1812}
   ( segid W   and resid 478   and name HD1%) 
   (( segid W   and resid 478   and name HB ))
      2.500     1.400     1.400 peak  1812 weight  0.10000E+01 volume  0.42087E-02 ppm1      0.513 ppm2      1.501 CV     1
 ASSI { 1815}
   ( segid W   and resid 478   and name HD1%) 
   (( segid W   and resid 478   and name HG12)) 
      2.300     1.200     1.200 peak  1815 weight  0.10000E+01 volume  0.75133E-02 ppm1      0.513 ppm2      0.749 CV     1
 ASSI { 1817}
   (( segid W   and resid 481   and name HB1 ))
   ( segid W   and resid 482   and name HG2%) 
      3.200     3.200     2.800 peak  1817 weight  0.10000E+01 volume  0.24040E-02 ppm1      2.954 ppm2      0.725 CV     1
 ASSI { 1818}
   (( segid W   and resid 481   and name HB2 ))
   ( segid W   and resid 482   and name HG2%) 
      3.300     3.300     2.700 peak  1818 weight  0.10000E+01 volume  0.18827E-02 ppm1      2.720 ppm2      0.725 CV     1
 ASSI { 1823}
   (( segid W   and resid 483   and name HG2 ))
   (( segid W   and resid 483   and name HE2 ))
      3.100     1.700     1.700 peak  1823 weight  0.10000E+01 volume  0.24619E-02 ppm1      0.685 ppm2      2.954 CV     1
 OR { 1823}
   (( segid W   and resid 483   and name HG2 ))
   (( segid W   and resid 483   and name HE1 ))
 OR { 1823}
   (( segid W   and resid 483   and name HB2 ))
   (( segid W   and resid 483   and name HE1 ))
 ASSI { 1824}
   (( segid W   and resid 482   and name HG12)) 
   (( segid W   and resid 481   and name HB2 ))
      2.800     1.600     1.600 peak  1824 weight  0.10000E+01 volume  0.25536E-02 ppm1      0.728 ppm2      2.724 CV     1
 OR { 1824}
   ( segid W   and resid 482   and name HG2%) 
   (( segid W   and resid 481   and name HB2 ))
 OR { 1824}
   ( segid W   and resid 482   and name HD1%) 
   (( segid W   and resid 481   and name HB2 ))
 ASSI { 1828}
   (( segid W   and resid 479   and name HD22)) 
   ( segid W   and resid 482   and name HD1%) 
      3.700     1.500     1.500 peak  1828 weight  0.10000E+01 volume  0.37520E-02 ppm1      7.212 ppm2      0.749 CV     1
 ASSI { 1838}
   (( segid W   and resid 484   and name HD2 ))
   ( segid W   and resid 482   and name HD1%) 
      2.700     2.700     3.300 peak  1838 weight  0.10000E+01 volume  0.45266E-02 ppm1      1.680 ppm2      0.749 CV     1
 ASSI { 1839}
   (( segid W   and resid 484   and name HB1 ))
   ( segid W   and resid 482   and name HD1%) 
      3.500     3.500     2.500 peak  1839 weight  0.10000E+01 volume  0.36712E-02 ppm1      1.484 ppm2      0.748 CV     1
 ASSI { 1841}
   (( segid W   and resid 482   and name HG11)) 
   ( segid W   and resid 482   and name HD1%) 
      2.300     1.100     1.100 peak  1841 weight  0.10000E+01 volume  0.10667E-01 ppm1      0.936 ppm2      0.748 CV     1
 ASSI { 1844}
   (( segid W   and resid 482   and name HG12)) 
   (( segid W   and resid 481   and name HD22)) 
      4.300     2.400     1.700 peak  1844 weight  0.10000E+01 volume  0.72691E-03 ppm1      0.728 ppm2      7.483 CV     1
 OR { 1844}
   ( segid W   and resid 482   and name HG2%) 
   (( segid W   and resid 481   and name HD22)) 
 OR { 1844}
   ( segid W   and resid 482   and name HD1%) 
   (( segid W   and resid 481   and name HD22)) 
 ASSI { 1846}
   ( segid W   and resid 482   and name HD1%) 
   (( segid W   and resid 484   and name HE1 ))
      3.900     1.900     1.900 peak  1846 weight  0.10000E+01 volume  0.16322E-02 ppm1      0.740 ppm2      3.037 CV     1
 OR { 1846}
   ( segid W   and resid 482   and name HD1%) 
   (( segid W   and resid 484   and name HE2 ))
 OR { 1846}
   (( segid W   and resid 482   and name HG12)) 
   (( segid W   and resid 484   and name HE1 ))
 OR { 1846}
   (( segid W   and resid 482   and name HG12)) 
   (( segid W   and resid 484   and name HE2 ))
 ASSI { 1849}
   (( segid W   and resid 482   and name HG12)) 
   (( segid W   and resid 479   and name HB2 ))
      3.900     1.700     1.700 peak  1849 weight  0.10000E+01 volume  0.22442E-02 ppm1      0.728 ppm2      2.083 CV     1
 OR { 1849}
   ( segid W   and resid 482   and name HD1%) 
   (( segid W   and resid 479   and name HB2 ))
 ASSI { 1868}
   (( segid W   and resid 469   and name HA ))
   ( segid W   and resid 469   and name HG2%) 
      2.500     1.200     1.200 peak  1868 weight  0.10000E+01 volume  0.71477E-02 ppm1      4.720 ppm2      1.282 CV     1
 ASSI { 1870}
   (( segid W   and resid 475   and name HB ))
   ( segid W   and resid 469   and name HG2%) 
      4.400     3.300     1.600 peak  1870 weight  0.10000E+01 volume  0.27266E-03 ppm1      1.937 ppm2      1.292 CV     1
 ASSI { 1877}
   (( segid W   and resid 475   and name HA ))
   ( segid W   and resid 475   and name HG1%) 
      3.000     1.200     1.200 peak  1877 weight  0.10000E+01 volume  0.62060E-02 ppm1      4.819 ppm2      0.986 CV     1
 ASSI { 1891}
   (( segid W   and resid 468   and name HB2 ))
   ( segid W   and resid 476   and name HE% )
      4.200     3.300     1.800 peak  1891 weight  0.10000E+01 volume  0.26479E-03 ppm1      0.943 ppm2      6.871 CV     1
 ASSI { 1912}
   (( segid B   and resid 615   and name HB2 ))
   (( segid W   and resid 476   and name HB1 ))
      4.700     2.600     1.300 peak  1912 weight  0.10000E+01 volume  0.56193E-03 ppm1      0.728 ppm2      2.502 CV     1
 ASSI { 1917}
   (( segid W   and resid 471   and name HN ))
   ( segid W   and resid 471   and name HG2%) 
      3.500     1.400     1.400 peak  1917 weight  0.10000E+01 volume  0.41441E-02 ppm1      6.925 ppm2      1.203 CV     1
 ASSI { 1930}
   (( segid W   and resid 484   and name HA ))
   ( segid W   and resid 485   and name HG2%) 
      3.700     3.700     2.300 peak  1930 weight  0.10000E+01 volume  0.40925E-02 ppm1      4.868 ppm2      1.201 CV     1
 ASSI { 1940}
   (( segid B   and resid 614   and name HB1 ))
   ( segid W   and resid 485   and name HG2%) 
      4.700     3.300     1.300 peak  1940 weight  0.10000E+01 volume  0.26455E-03 ppm1      2.360 ppm2      1.193 CV     1
 ASSI { 1947}
   ( segid W   and resid 478   and name HD1%) 
   ( segid W   and resid 485   and name HG2%) 
      3.300     3.300     2.700 peak  1947 weight  0.10000E+01 volume  0.16175E-02 ppm1      0.514 ppm2      1.201 CV     1
 ASSI { 1966}
   ( segid W   and resid 458   and name HD2%) 
   (( segid W   and resid 458   and name HG ))
      2.800     1.500     1.500 peak  1966 weight  0.10000E+01 volume  0.31190E-02 ppm1      0.771 ppm2      1.614 CV     1
 ASSI { 1976}
   (( segid W   and resid 460   and name HA ))
   ( segid W   and resid 461   and name HD2%) 
      4.700     3.100     1.300 peak  1976 weight  0.10000E+01 volume  0.31320E-03 ppm1      4.513 ppm2      0.804 CV     1
 ASSI { 1979}
   (( segid W   and resid 462   and name HD1 ))
   ( segid W   and resid 461   and name HD2%) 
      3.000     3.000     3.000 peak  1979 weight  0.10000E+01 volume  0.42578E-02 ppm1      3.322 ppm2      0.800 CV     1
 ASSI { 1984}
   (( segid W   and resid 461   and name HG ))
   ( segid W   and resid 461   and name HD2%) 
      2.100     1.000     1.000 peak  1984 weight  0.10000E+01 volume  0.13964E-01 ppm1      1.818 ppm2      0.800 CV     1
 OR { 1984}
   (( segid W   and resid 461   and name HB1 ))
   ( segid W   and resid 461   and name HD2%) 
 ASSI { 2007}
   (( segid W   and resid 482   and name HA ))
   (( segid W   and resid 483   and name HG2 ))
      5.900     3.900     0.100 peak  2007 weight  0.10000E+01 volume  0.15845E-03 ppm1      4.360 ppm2      0.687 CV     1
 ASSI { 2008}
   (( segid W   and resid 483   and name HE2 ))
   (( segid W   and resid 483   and name HG2 ))
      3.300     2.000     2.000 peak  2008 weight  0.10000E+01 volume  0.13833E-02 ppm1      2.958 ppm2      0.692 CV     1
 OR { 2008}
   (( segid W   and resid 483   and name HE1 ))
   (( segid W   and resid 483   and name HG2 ))
 ASSI { 2011}
   (( segid W   and resid 482   and name HA ))
   (( segid W   and resid 483   and name HG1 ))
      6.000     4.400     0.000 peak  2011 weight  0.10000E+01 volume  0.10766E-03 ppm1      4.361 ppm2      0.923 CV     1
 ASSI { 2019}
   (( segid W   and resid 483   and name HG2 ))
   (( segid W   and resid 483   and name HG1 ))
      1.500     0.700     0.700 peak  2019 weight  0.10000E+01 volume  0.36294E-01 ppm1      0.700 ppm2      0.929 CV     1
 OR { 2019}
   (( segid W   and resid 483   and name HB2 ))
   (( segid W   and resid 483   and name HG1 ))
 ASSI { 2025}
   (( segid W   and resid 483   and name HB2 ))
   (( segid W   and resid 483   and name HA ))
      2.700     1.200     1.200 peak  2025 weight  0.10000E+01 volume  0.80121E-02 ppm1      0.685 ppm2      2.312 CV     1
 OR { 2025}
   (( segid W   and resid 483   and name HG2 ))
   (( segid W   and resid 483   and name HA ))
 ASSI { 2027}
   (( segid W   and resid 483   and name HG2 ))
   (( segid W   and resid 483   and name HD1 ))
      2.500     1.200     1.200 peak  2027 weight  0.10000E+01 volume  0.65524E-02 ppm1      0.685 ppm2      1.483 CV     1
 OR { 2027}
   (( segid W   and resid 483   and name HG2 ))
   (( segid W   and resid 483   and name HD2 ))
 OR { 2027}
   (( segid W   and resid 483   and name HB2 ))
   (( segid W   and resid 483   and name HD2 ))
 ASSI { 2033}
   (( segid W   and resid 483   and name HG1 ))
   (( segid W   and resid 483   and name HB1 ))
      2.000     0.900     0.900 peak  2033 weight  0.10000E+01 volume  0.15570E-01 ppm1      0.943 ppm2      1.842 CV     1
 ASSI { 2036}
   (( segid W   and resid 479   and name HN ))
   (( segid W   and resid 484   and name HG2 ))
      6.000     5.200     0.000 peak  2036 weight  0.10000E+01 volume  0.61872E-04 ppm1      8.496 ppm2      1.384 CV     1
 OR { 2036}
   (( segid W   and resid 479   and name HN ))
   (( segid W   and resid 484   and name HG1 ))
 ASSI { 2039}
   (( segid W   and resid 485   and name HA ))
   (( segid W   and resid 484   and name HG2 ))
      5.400     3.900     0.600 peak  2039 weight  0.10000E+01 volume  0.15757E-03 ppm1      5.509 ppm2      1.381 CV     1
 OR { 2039}
   (( segid W   and resid 485   and name HA ))
   (( segid W   and resid 484   and name HG1 ))
 ASSI { 2046}
   ( segid W   and resid 482   and name HD1%) 
   (( segid W   and resid 484   and name HG1 ))
      4.100     1.800     1.800 peak  2046 weight  0.10000E+01 volume  0.18719E-02 ppm1      0.737 ppm2      1.386 CV     1
 OR { 2046}
   ( segid W   and resid 482   and name HD1%) 
   (( segid W   and resid 484   and name HG2 ))
 OR { 2046}
   (( segid W   and resid 482   and name HG12)) 
   (( segid W   and resid 484   and name HG1 ))
 OR { 2046}
   (( segid W   and resid 482   and name HG12)) 
   (( segid W   and resid 484   and name HG2 ))
 ASSI { 2047}
   (( segid W   and resid 484   and name HG1 ))
   (( segid W   and resid 484   and name HE1 ))
      3.100     1.700     1.700 peak  2047 weight  0.10000E+01 volume  0.23359E-02 ppm1      1.374 ppm2      3.041 CV     1
 OR { 2047}
   (( segid W   and resid 484   and name HG2 ))
   (( segid W   and resid 484   and name HE1 ))
 OR { 2047}
   (( segid W   and resid 484   and name HG2 ))
   (( segid W   and resid 484   and name HE2 ))
 OR { 2047}
   (( segid W   and resid 484   and name HG1 ))
   (( segid W   and resid 484   and name HE2 ))
 ASSI { 2060}
   (( segid W   and resid 458   and name HB2 ))
   ( segid W   and resid 458   and name HD1%) 
      2.800     1.600     1.600 peak  2060 weight  0.10000E+01 volume  0.26751E-02 ppm1      1.421 ppm2      0.855 CV     1
 ASSI { 2064}
   ( segid W   and resid 458   and name HD1%) 
   (( segid W   and resid 458   and name HB1 ))
      2.900     1.400     1.400 peak  2064 weight  0.10000E+01 volume  0.38129E-02 ppm1      0.857 ppm2      1.623 CV     1
 ASSI { 2068}
   (( segid W   and resid 484   and name HD2 ))
   (( segid W   and resid 482   and name HG11)) 
      3.100     1.600     1.600 peak  2068 weight  0.10000E+01 volume  0.26171E-02 ppm1      1.684 ppm2      0.919 CV     1
 ASSI { 2082}
   (( segid W   and resid 482   and name HB ))
   (( segid W   and resid 482   and name HG12)) 
      3.400     1.900     1.900 peak  2082 weight  0.10000E+01 volume  0.16283E-02 ppm1      1.932 ppm2      0.737 CV     1
 ASSI { 2086}
   (( segid W   and resid 486   and name HE22)) 
   (( segid W   and resid 490   and name HG1 ))
      5.300     4.000     0.700 peak  2086 weight  0.10000E+01 volume  0.14030E-03 ppm1      8.331 ppm2      0.550 CV     1
 ASSI { 2087}
   (( segid W   and resid 465   and name HE3 ))
   (( segid W   and resid 490   and name HG1 ))
      3.500     2.400     2.400 peak  2087 weight  0.10000E+01 volume  0.75522E-03 ppm1      7.481 ppm2      0.567 CV     1
 OR { 2087}
   (( segid W   and resid 465   and name HZ2 ))
   (( segid W   and resid 490   and name HG1 ))
 ASSI { 2088}
   (( segid W   and resid 465   and name HD1 ))
   (( segid W   and resid 490   and name HG1 ))
      4.300     2.500     1.700 peak  2088 weight  0.10000E+01 volume  0.65022E-03 ppm1      7.100 ppm2      0.556 CV     1
 ASSI { 2094}
   (( segid W   and resid 491   and name HG1 ))
   (( segid W   and resid 490   and name HG1 ))
      5.300     2.200     0.700 peak  2094 weight  0.10000E+01 volume  0.98173E-03 ppm1      1.727 ppm2      0.566 CV     1
 ASSI { 2098}
   (( segid W   and resid 490   and name HG1 ))
   (( segid W   and resid 465   and name HZ2 ))
      6.000     5.600     0.000 peak  2098 weight  0.10000E+01 volume  0.51449E-04 ppm1      0.556 ppm2      7.481 CV     1
 ASSI { 2105}
   (( segid W   and resid 465   and name HE3 ))
   (( segid W   and resid 490   and name HG2 ))
      3.900     2.100     2.100 peak  2105 weight  0.10000E+01 volume  0.12045E-02 ppm1      7.474 ppm2      0.087 CV     1
 OR { 2105}
   (( segid W   and resid 465   and name HZ2 ))
   (( segid W   and resid 490   and name HG2 ))
 ASSI { 2112}
   (( segid W   and resid 462   and name HD1 ))
   (( segid W   and resid 490   and name HG2 ))
      3.000     1.900     1.900 peak  2112 weight  0.10000E+01 volume  0.14580E-02 ppm1      3.309 ppm2      0.087 CV     1
 ASSI { 2118}
   (( segid W   and resid 491   and name HG2 ))
   (( segid W   and resid 490   and name HG2 ))
      3.600     2.400     2.400 peak  2118 weight  0.10000E+01 volume  0.73329E-03 ppm1      1.151 ppm2      0.085 CV     1
 ASSI { 2121}
   (( segid W   and resid 479   and name HB1 ))
   (( segid W   and resid 465   and name HE3 ))
      3.400     2.300     2.300 peak  2121 weight  0.10000E+01 volume  0.83792E-03 ppm1      0.110 ppm2      7.463 CV     1
 ASSI { 2126}
   (( segid W   and resid 490   and name HG2 ))
   (( segid W   and resid 489   and name HA ))
      4.900     2.300     1.100 peak  2126 weight  0.10000E+01 volume  0.89455E-03 ppm1      0.083 ppm2      2.899 CV     1
 ASSI { 2131}
   ( segid W   and resid 477   and name HD% )
   ( segid W   and resid 461   and name HD1%) 
      2.800     2.800     3.200 peak  2131 weight  0.10000E+01 volume  0.30558E-02 ppm1      7.078 ppm2      1.128 CV     1
 ASSI { 2133}
   (( segid W   and resid 466   and name HA ))
   ( segid W   and resid 461   and name HD1%) 
      2.600     2.600     3.400 peak  2133 weight  0.10000E+01 volume  0.44966E-02 ppm1      4.792 ppm2      1.127 CV     1
 ASSI { 2149}
   ( segid W   and resid 461   and name HD1%) 
   (( segid W   and resid 465   and name HB1 ))
      3.200     2.100     2.100 peak  2149 weight  0.10000E+01 volume  0.11900E-02 ppm1      1.115 ppm2      3.374 CV     1
 ASSI { 2150}
   ( segid W   and resid 461   and name HD1%) 
   (( segid W   and resid 465   and name HB2 ))
      4.100     2.100     1.900 peak  2150 weight  0.10000E+01 volume  0.10852E-02 ppm1      1.115 ppm2      3.131 CV     1
 ASSI { 2153}
   ( segid W   and resid 461   and name HD1%) 
   (( segid W   and resid 461   and name HB2 ))
      2.900     1.500     1.500 peak  2153 weight  0.10000E+01 volume  0.33424E-02 ppm1      1.115 ppm2      1.435 CV     1
 ASSI { 2166}
   (( segid W   and resid 489   and name HB2 ))
   (( segid W   and resid 490   and name HD2 ))
      4.100     1.900     1.900 peak  2166 weight  0.10000E+01 volume  0.15820E-02 ppm1      2.247 ppm2      2.725 CV     1
 OR { 2166}
   (( segid W   and resid 489   and name HB2 ))
   (( segid W   and resid 490   and name HD1 ))
 ASSI { 2168}
   (( segid W   and resid 489   and name HA ))
   (( segid W   and resid 490   and name HD1 ))
      1.500     0.600     0.700 peak  2168 weight  0.10000E+01 volume  0.70239E-01 ppm1      2.896 ppm2      2.723 CV     1
 OR { 2168}
   (( segid W   and resid 489   and name HA ))
   (( segid W   and resid 490   and name HD2 ))
 ASSI { 2169}
   (( segid W   and resid 477   and name HB1 ))
   (( segid W   and resid 490   and name HD1 ))
      2.700     1.400     1.400 peak  2169 weight  0.10000E+01 volume  0.42396E-02 ppm1      3.066 ppm2      2.717 CV     1
 OR { 2169}
   (( segid W   and resid 477   and name HB1 ))
   (( segid W   and resid 490   and name HD2 ))
 ASSI { 2187}
   (( segid W   and resid 492   and name HB1 ))
   (( segid W   and resid 491   and name HG1 ))
      3.300     3.300     2.700 peak  2187 weight  0.10000E+01 volume  0.72726E-02 ppm1      1.939 ppm2      1.739 CV     1
 ASSI { 2194}
   (( segid W   and resid 462   and name HG1 ))
   (( segid W   and resid 463   and name HD2 ))
      5.900     3.200     0.100 peak  2194 weight  0.10000E+01 volume  0.29104E-03 ppm1      1.731 ppm2      3.657 CV     1
 ASSI { 2207}
   (( segid W   and resid 461   and name HN ))
   (( segid W   and resid 460   and name HG2 ))
      4.600     2.300     1.400 peak  2207 weight  0.10000E+01 volume  0.85982E-03 ppm1      8.700 ppm2      1.992 CV     1
 ASSI { 2209}
   (( segid W   and resid 460   and name HD1 ))
   (( segid W   and resid 460   and name HG2 ))
      2.000     1.000     1.000 peak  2209 weight  0.10000E+01 volume  0.15358E-01 ppm1      3.589 ppm2      2.001 CV     1
 ASSI { 2211}
   (( segid W   and resid 452   and name HB1 ))
   (( segid W   and resid 452   and name HG1 ))
      2.000     0.800     0.800 peak  2211 weight  0.10000E+01 volume  0.29537E-01 ppm1      2.315 ppm2      2.045 CV     1
 OR { 2211}
   (( segid W   and resid 452   and name HB1 ))
   (( segid W   and resid 452   and name HG2 ))
 ASSI { 2218}
   (( segid W   and resid 491   and name HE ))
   (( segid W   and resid 458   and name HG ))
      5.600     3.700     0.400 peak  2218 weight  0.10000E+01 volume  0.19277E-03 ppm1      8.687 ppm2      1.598 CV     1
 ASSI { 2221}
   (( segid W   and resid 491   and name HA ))
   (( segid W   and resid 458   and name HG ))
      6.000     3.600     0.000 peak  2221 weight  0.10000E+01 volume  0.19393E-03 ppm1      3.907 ppm2      1.597 CV     1
 ASSI { 2229}
   ( segid W   and resid 497   and name HD1%) 
   (( segid W   and resid 497   and name HG11)) 
      2.700     1.400     1.400 peak  2229 weight  0.10000E+01 volume  0.47036E-02 ppm1      0.878 ppm2      1.208 CV     1
 ASSI { 2238}
   (( segid W   and resid 466   and name HB1 ))
   (( segid W   and resid 468   and name HG1 ))
      4.500     3.600     1.500 peak  2238 weight  0.10000E+01 volume  0.20013E-03 ppm1      2.147 ppm2      1.442 CV     1
 ASSI { 2260}
   (( segid W   and resid 480   and name HD2 ))
   (( segid W   and resid 478   and name HG11)) 
      3.400     3.400     2.600 peak  2260 weight  0.10000E+01 volume  0.45566E-02 ppm1      6.902 ppm2      1.325 CV     1
 ASSI { 2266}
   (( segid W   and resid 466   and name HB2 ))
   (( segid W   and resid 478   and name HG11)) 
      4.100     4.100     1.900 peak  2266 weight  0.10000E+01 volume  0.24179E-02 ppm1      2.024 ppm2      1.328 CV     1
 ASSI { 2276}
   (( segid W   and resid 478   and name HB ))
   (( segid W   and resid 478   and name HG12)) 
      2.400     1.000     1.000 peak  2276 weight  0.10000E+01 volume  0.12048E-01 ppm1      1.498 ppm2      0.749 CV     1
 ASSI { 2279}
   (( segid W   and resid 465   and name HA ))
   (( segid W   and resid 478   and name HG12)) 
      6.000     5.600     0.000 peak  2279 weight  0.10000E+01 volume  0.51484E-04 ppm1      6.068 ppm2      0.753 CV     1
 ASSI { 2282}
   (( segid W   and resid 462   and name HA ))
   (( segid W   and resid 463   and name HG2 ))
      5.100     2.300     0.900 peak  2282 weight  0.10000E+01 volume  0.82885E-03 ppm1      4.769 ppm2      2.200 CV     1
 ASSI { 2288}
   (( segid W   and resid 462   and name HA ))
   (( segid W   and resid 463   and name HG1 ))
      5.400     2.600     0.600 peak  2288 weight  0.10000E+01 volume  0.58378E-03 ppm1      4.773 ppm2      2.103 CV     1
 ASSI { 2289}
   (( segid W   and resid 463   and name HA ))
   (( segid W   and resid 463   and name HG1 ))
      4.000     1.900     1.900 peak  2289 weight  0.10000E+01 volume  0.15403E-02 ppm1      4.484 ppm2      2.112 CV     1
 ASSI { 2303}
   (( segid W   and resid 482   and name HA ))
   (( segid W   and resid 483   and name HB1 ))
      6.000     4.500     0.000 peak  2303 weight  0.10000E+01 volume  0.98563E-04 ppm1      4.353 ppm2      1.835 CV     1
 ASSI { 2316}
   (( segid W   and resid 483   and name HG1 ))
   (( segid W   and resid 483   and name HB2 ))
      2.800     1.200     1.200 peak  2316 weight  0.10000E+01 volume  0.62343E-02 ppm1      0.924 ppm2      0.709 CV     1
 ASSI { 2319}
   (( segid W   and resid 483   and name HN ))
   (( segid W   and resid 483   and name HB2 ))
      3.800     2.300     2.200 peak  2319 weight  0.10000E+01 volume  0.86043E-03 ppm1      7.168 ppm2      0.708 CV     1
 ASSI { 2324}
   (( segid W   and resid 485   and name HN ))
   (( segid W   and resid 484   and name HD1 ))
      5.300     3.500     0.700 peak  2324 weight  0.10000E+01 volume  0.22995E-03 ppm1      7.989 ppm2      1.764 CV     1
 ASSI { 2326}
   (( segid W   and resid 486   and name HG1 ))
   (( segid W   and resid 488   and name HB1 ))
      4.300     2.500     1.700 peak  2326 weight  0.10000E+01 volume  0.66489E-03 ppm1      2.919 ppm2      2.043 CV     1
 ASSI { 2338}
   (( segid W   and resid 484   and name HE2 ))
   (( segid W   and resid 484   and name HD1 ))
      3.000     1.700     1.700 peak  2338 weight  0.10000E+01 volume  0.22743E-02 ppm1      3.039 ppm2      1.756 CV     1
 OR { 2338}
   (( segid W   and resid 484   and name HE1 ))
   (( segid W   and resid 484   and name HD1 ))
 ASSI { 2348}
   (( segid W   and resid 461   and name HA ))
   (( segid W   and resid 491   and name HB1 ))
      5.800     5.700     0.200 peak  2348 weight  0.10000E+01 volume  0.46450E-04 ppm1      4.107 ppm2      1.591 CV     1
 ASSI { 2362}
   (( segid W   and resid 462   and name HD1 ))
   (( segid W   and resid 491   and name HB1 ))
      3.600     3.600     2.400 peak  2362 weight  0.10000E+01 volume  0.94793E-04 ppm1      3.313 ppm2      1.587 CV     1
 ASSI { 2367}
   (( segid W   and resid 465   and name HZ2 ))
   (( segid W   and resid 490   and name HB1 ))
      3.800     2.500     2.200 peak  2367 weight  0.10000E+01 volume  0.65840E-03 ppm1      7.489 ppm2      0.893 CV     1
 OR { 2367}
   (( segid W   and resid 465   and name HZ2 ))
   (( segid W   and resid 490   and name HB2 ))
 ASSI { 2370}
   (( segid W   and resid 465   and name HZ3 ))
   (( segid W   and resid 490   and name HB1 ))
      5.000     3.200     1.000 peak  2370 weight  0.10000E+01 volume  0.28526E-03 ppm1      6.795 ppm2      0.898 CV     1
 OR { 2370}
   (( segid W   and resid 465   and name HZ3 ))
   (( segid W   and resid 490   and name HB2 ))
 ASSI { 2372}
   (( segid W   and resid 462   and name HD1 ))
   (( segid W   and resid 490   and name HB2 ))
      4.700     2.600     1.300 peak  2372 weight  0.10000E+01 volume  0.55840E-03 ppm1      3.320 ppm2      0.888 CV     1
 OR { 2372}
   (( segid W   and resid 462   and name HD1 ))
   (( segid W   and resid 490   and name HB1 ))
 ASSI { 2373}
   (( segid W   and resid 486   and name HG1 ))
   (( segid W   and resid 490   and name HB1 ))
      5.400     3.200     0.600 peak  2373 weight  0.10000E+01 volume  0.28256E-03 ppm1      2.926 ppm2      0.894 CV     1
 OR { 2373}
   (( segid W   and resid 486   and name HG1 ))
   (( segid W   and resid 490   and name HB2 ))
 ASSI { 2394}
   (( segid W   and resid 485   and name HA ))
   (( segid W   and resid 486   and name HG1 ))
      4.900     3.100     1.100 peak  2394 weight  0.10000E+01 volume  0.31230E-03 ppm1      5.505 ppm2      2.917 CV     1
 ASSI { 2396}
   (( segid W   and resid 477   and name HB2 ))
   (( segid W   and resid 486   and name HG1 ))
      2.800     2.200     2.200 peak  2396 weight  0.10000E+01 volume  0.98890E-03 ppm1      3.288 ppm2      2.922 CV     1
 ASSI { 2398}
   (( segid W   and resid 486   and name HB2 ))
   (( segid W   and resid 486   and name HG1 ))
      2.000     0.800     0.800 peak  2398 weight  0.10000E+01 volume  0.23915E-01 ppm1      2.529 ppm2      2.923 CV     1
 OR { 2398}
   (( segid W   and resid 486   and name HB1 ))
   (( segid W   and resid 486   and name HG1 ))
 ASSI { 2401}
   (( segid W   and resid 465   and name HZ2 ))
   (( segid W   and resid 486   and name HG2 ))
      5.400     2.900     0.600 peak  2401 weight  0.10000E+01 volume  0.41869E-03 ppm1      7.479 ppm2      2.415 CV     1
 OR { 2401}
   (( segid W   and resid 465   and name HE3 ))
   (( segid W   and resid 486   and name HG2 ))
 ASSI { 2413}
   (( segid W   and resid 486   and name HG2 ))
   (( segid W   and resid 486   and name HB1 ))
      1.800     0.700     0.700 peak  2413 weight  0.10000E+01 volume  0.37291E-01 ppm1      2.417 ppm2      2.551 CV     1
 OR { 2413}
   (( segid W   and resid 486   and name HG2 ))
   (( segid W   and resid 486   and name HB2 ))
 ASSI { 2415}
   (( segid W   and resid 486   and name HG1 ))
   (( segid W   and resid 465   and name HH2 ))
      5.600     3.400     0.400 peak  2415 weight  0.10000E+01 volume  0.25030E-03 ppm1      2.923 ppm2      7.126 CV     1
 ASSI { 2419}
   (( segid W   and resid 460   and name HB2 ))
   (( segid W   and resid 460   and name HB1 ))
      1.500     0.600     0.700 peak  2419 weight  0.10000E+01 volume  0.59139E-01 ppm1      1.960 ppm2      2.289 CV     1
 OR { 2419}
   (( segid W   and resid 460   and name HG1 ))
   (( segid W   and resid 460   and name HB1 ))
 ASSI { 2434}
   (( segid W   and resid 470   and name HN ))
   (( segid W   and resid 474   and name HB2 ))
      5.300     4.000     0.700 peak  2434 weight  0.10000E+01 volume  0.14858E-03 ppm1      9.796 ppm2      1.897 CV     1
 ASSI { 2438}
   (( segid W   and resid 470   and name HB1 ))
   (( segid W   and resid 474   and name HB2 ))
      4.000     3.200     2.000 peak  2438 weight  0.10000E+01 volume  0.28399E-03 ppm1      3.350 ppm2      1.916 CV     1
 ASSI { 2453}
   (( segid W   and resid 492   and name HB2 ))
   (( segid W   and resid 492   and name HG2 ))
      2.400     1.100     1.100 peak  2453 weight  0.10000E+01 volume  0.10503E-01 ppm1      2.154 ppm2      2.380 CV     1
 ASSI { 2467}
   (( segid W   and resid 467   and name HA ))
   (( segid W   and resid 467   and name HB2 ))
      2.400     1.200     1.200 peak  2467 weight  0.10000E+01 volume  0.62250E-02 ppm1      4.770 ppm2      1.857 CV     1
 OR { 2467}
   (( segid W   and resid 467   and name HA ))
   (( segid W   and resid 467   and name HB1 ))
 ASSI { 2475}
   (( segid W   and resid 467   and name HB2 ))
   ( segid W   and resid 475   and name HG1%) 
      3.800     1.900     1.900 peak  2475 weight  0.10000E+01 volume  0.15686E-02 ppm1      1.855 ppm2      0.986 CV     1
 OR { 2475}
   (( segid W   and resid 467   and name HB1 ))
   ( segid W   and resid 475   and name HG1%) 
 ASSI { 2481}
   (( segid W   and resid 492   and name HN ))
   (( segid W   and resid 493   and name HG2 ))
      6.000     4.900     0.000 peak  2481 weight  0.10000E+01 volume  0.74258E-04 ppm1      7.309 ppm2      2.246 CV     1
 OR { 2481}
   (( segid W   and resid 492   and name HN ))
   (( segid W   and resid 493   and name HG1 ))
 ASSI { 2485}
   (( segid W   and resid 490   and name HB1 ))
   (( segid W   and resid 493   and name HG2 ))
      6.000     4.200     0.000 peak  2485 weight  0.10000E+01 volume  0.12565E-03 ppm1      0.876 ppm2      2.261 CV     1
 OR { 2485}
   (( segid W   and resid 490   and name HB2 ))
   (( segid W   and resid 493   and name HG2 ))
 OR { 2485}
   (( segid W   and resid 490   and name HB1 ))
   (( segid W   and resid 493   and name HG1 ))
 OR { 2485}
   (( segid W   and resid 490   and name HB2 ))
   (( segid W   and resid 493   and name HG1 ))
 ASSI { 2494}
   (( segid W   and resid 476   and name HN ))
   (( segid W   and resid 468   and name HB1 ))
      5.000     3.900     1.000 peak  2494 weight  0.10000E+01 volume  0.15549E-03 ppm1      8.983 ppm2      0.586 CV     1
 ASSI { 2495}
   (( segid W   and resid 468   and name HE ))
   (( segid W   and resid 468   and name HB1 ))
      3.700     2.700     2.300 peak  2495 weight  0.10000E+01 volume  0.48873E-03 ppm1      7.171 ppm2      0.598 CV     1
 ASSI { 2499}
   (( segid W   and resid 468   and name HD1 ))
   (( segid W   and resid 468   and name HB1 ))
      2.700     2.000     2.000 peak  2499 weight  0.10000E+01 volume  0.13675E-02 ppm1      3.239 ppm2      0.602 CV     1
 ASSI { 2500}
   (( segid W   and resid 468   and name HD2 ))
   (( segid W   and resid 468   and name HB1 ))
      4.000     2.000     2.000 peak  2500 weight  0.10000E+01 volume  0.13202E-02 ppm1      2.923 ppm2      0.600 CV     1
 ASSI { 2504}
   ( segid B   and resid 621   and name HD1%) 
   (( segid W   and resid 468   and name HD1 ))
      2.700     1.800     1.800 peak  2504 weight  0.10000E+01 volume  0.19175E-02 ppm1      0.556 ppm2      3.243 CV     1
 ASSI { 2505}
   ( segid B   and resid 621   and name HD1%) 
   (( segid W   and resid 468   and name HD2 ))
      3.200     1.600     1.600 peak  2505 weight  0.10000E+01 volume  0.25186E-02 ppm1      0.556 ppm2      2.923 CV     1
 ASSI { 2512}
   (( segid W   and resid 466   and name HG1 ))
   (( segid W   and resid 466   and name HB1 ))
      3.000     1.400     1.400 peak  2512 weight  0.10000E+01 volume  0.42884E-02 ppm1      2.421 ppm2      2.138 CV     1
 ASSI { 2516}
   ( segid W   and resid 478   and name HG2%) 
   (( segid W   and resid 466   and name HB1 ))
      3.900     3.000     2.100 peak  2516 weight  0.10000E+01 volume  0.35583E-03 ppm1      0.252 ppm2      2.130 CV     1
 ASSI { 2518}
   (( segid W   and resid 468   and name HB2 ))
   (( segid W   and resid 466   and name HB2 ))
      6.000     4.000     0.000 peak  2518 weight  0.10000E+01 volume  0.14285E-03 ppm1      0.942 ppm2      2.033 CV     1
 ASSI { 2523}
   (( segid W   and resid 466   and name HA ))
   (( segid W   and resid 466   and name HB2 ))
      3.000     1.700     1.700 peak  2523 weight  0.10000E+01 volume  0.22699E-02 ppm1      4.792 ppm2      2.024 CV     1
 ASSI { 2524}
   (( segid W   and resid 465   and name HA ))
   (( segid W   and resid 466   and name HB2 ))
      4.300     3.300     1.700 peak  2524 weight  0.10000E+01 volume  0.27136E-03 ppm1      6.081 ppm2      2.029 CV     1
 ASSI { 2525}
   (( segid W   and resid 480   and name HD2 ))
   (( segid W   and resid 466   and name HB2 ))
      3.900     2.800     2.100 peak  2525 weight  0.10000E+01 volume  0.42653E-03 ppm1      6.909 ppm2      2.033 CV     1
 ASSI { 2535}
   (( segid W   and resid 467   and name HN ))
   (( segid W   and resid 467   and name HG1 ))
      4.600     2.000     1.400 peak  2535 weight  0.10000E+01 volume  0.14065E-02 ppm1      8.778 ppm2      1.934 CV     1
 ASSI { 2539}
   (( segid W   and resid 467   and name HB2 ))
   (( segid W   and resid 467   and name HG1 ))
      1.600     1.600     4.400 peak  2539 weight  0.10000E+01 volume  0.75335E-01 ppm1      1.861 ppm2      1.934 CV     1
 OR { 2539}
   (( segid W   and resid 467   and name HB1 ))
   (( segid W   and resid 467   and name HG1 ))
 ASSI { 2563}
   (( segid W   and resid 466   and name HN ))
   (( segid W   and resid 466   and name HG2 ))
      5.200     3.000     0.800 peak  2563 weight  0.10000E+01 volume  0.35813E-03 ppm1      9.363 ppm2      2.226 CV     1
 ASSI { 2568}
   (( segid W   and resid 466   and name HA ))
   (( segid W   and resid 466   and name HG2 ))
      2.900     1.800     1.800 peak  2568 weight  0.10000E+01 volume  0.17733E-02 ppm1      4.789 ppm2      2.225 CV     1
 ASSI { 2575}
   (( segid W   and resid 481   and name HD22)) 
   (( segid W   and resid 479   and name HB2 ))
      2.800     2.300     2.300 peak  2575 weight  0.10000E+01 volume  0.82139E-03 ppm1      7.477 ppm2      2.081 CV     1
 ASSI { 2582}
   (( segid W   and resid 481   and name HB1 ))
   (( segid W   and resid 479   and name HB2 ))
      6.000     3.500     0.000 peak  2582 weight  0.10000E+01 volume  0.21983E-03 ppm1      2.967 ppm2      2.083 CV     1
 ASSI { 2593}
   (( segid W   and resid 485   and name HA ))
   (( segid W   and resid 479   and name HB1 ))
      6.000     4.400     0.000 peak  2593 weight  0.10000E+01 volume  0.10767E-03 ppm1      5.522 ppm2      0.107 CV     1
 ASSI { 2598}
   (( segid W   and resid 481   and name HB2 ))
   (( segid W   and resid 479   and name HB1 ))
      6.000     4.000     0.000 peak  2598 weight  0.10000E+01 volume  0.14016E-03 ppm1      2.708 ppm2      0.115 CV     1
 ASSI { 2599}
   (( segid W   and resid 484   and name HB2 ))
   (( segid W   and resid 479   and name HB1 ))
      4.900     3.000     1.100 peak  2599 weight  0.10000E+01 volume  0.37104E-03 ppm1      1.648 ppm2      0.110 CV     1
 ASSI { 2601}
   (( segid W   and resid 482   and name HG11)) 
   (( segid W   and resid 479   and name HB1 ))
      5.100     2.400     0.900 peak  2601 weight  0.10000E+01 volume  0.69996E-03 ppm1      0.929 ppm2      0.111 CV     1
 ASSI { 2607}
   (( segid W   and resid 479   and name HB1 ))
   (( segid W   and resid 484   and name HB1 ))
      4.700     3.500     1.300 peak  2607 weight  0.10000E+01 volume  0.21435E-03 ppm1      0.126 ppm2      1.493 CV     1
 ASSI { 2611}
   (( segid W   and resid 486   and name HE21)) 
   (( segid W   and resid 488   and name HG1 ))
      5.400     3.100     0.600 peak  2611 weight  0.10000E+01 volume  0.31164E-03 ppm1      7.111 ppm2      2.495 CV     1
 ASSI { 2615}
   (( segid W   and resid 489   and name HN ))
   (( segid W   and resid 488   and name HG2 ))
      3.600     2.000     2.000 peak  2615 weight  0.10000E+01 volume  0.12488E-02 ppm1      8.320 ppm2      2.266 CV     1
 ASSI { 2616}
   (( segid W   and resid 486   and name HE21)) 
   (( segid W   and resid 488   and name HG2 ))
      5.800     4.000     0.200 peak  2616 weight  0.10000E+01 volume  0.14402E-03 ppm1      7.139 ppm2      2.268 CV     1
 ASSI { 2626}
   (( segid W   and resid 484   and name HE1 ))
   (( segid W   and resid 484   and name HB2 ))
      5.500     3.100     0.500 peak  2626 weight  0.10000E+01 volume  0.33164E-03 ppm1      3.018 ppm2      1.656 CV     1
 OR { 2626}
   (( segid W   and resid 484   and name HE2 ))
   (( segid W   and resid 484   and name HB2 ))
 ASSI { 2633}
   (( segid W   and resid 482   and name HB ))
   (( segid W   and resid 484   and name HB1 ))
      5.600     2.900     0.400 peak  2633 weight  0.10000E+01 volume  0.42353E-03 ppm1      1.911 ppm2      1.492 CV     1
 ASSI { 2635}
   (( segid W   and resid 483   and name HA ))
   (( segid W   and resid 484   and name HB1 ))
      6.000     5.500     0.000 peak  2635 weight  0.10000E+01 volume  0.52802E-04 ppm1      2.327 ppm2      1.490 CV     1
 ASSI { 2640}
   (( segid W   and resid 467   and name HN ))
   (( segid W   and resid 466   and name HA ))
      2.100     1.000     1.000 peak  2640 weight  0.10000E+01 volume  0.13798E-01 ppm1      8.775 ppm2      4.795 CV     1
 ASSI { 2648}
   (( segid W   and resid 473   and name HN ))
   (( segid W   and resid 472   and name HB1 ))
      4.800     2.700     1.200 peak  2648 weight  0.10000E+01 volume  0.48998E-03 ppm1      8.129 ppm2      3.078 CV     1
 ASSI { 2653}
   (( segid W   and resid 481   and name HD21)) 
   (( segid W   and resid 481   and name HB2 ))
      3.900     1.800     1.800 peak  2653 weight  0.10000E+01 volume  0.18753E-02 ppm1      7.398 ppm2      2.722 CV     1
 ASSI { 2655}
   (( segid W   and resid 479   and name HD21)) 
   (( segid W   and resid 481   and name HD22)) 
      3.800     1.700     1.700 peak  2655 weight  0.10000E+01 volume  0.20923E-02 ppm1      6.236 ppm2      7.483 CV     1
 ASSI { 2660}
   (( segid W   and resid 491   and name HH21)) 
   (( segid W   and resid 458   and name HB2 ))
      4.100     3.100     1.900 peak  2660 weight  0.10000E+01 volume  0.33673E-03 ppm1      6.968 ppm2      1.417 CV     1
 ASSI { 2670}
   (( segid W   and resid 452   and name HG2 ))
   (( segid W   and resid 452   and name HD2 ))
      3.200     1.900     1.900 peak  2670 weight  0.10000E+01 volume  0.16573E-02 ppm1      2.063 ppm2      3.875 CV     1
 OR { 2670}
   (( segid W   and resid 452   and name HG1 ))
   (( segid W   and resid 452   and name HD2 ))
 ASSI { 2671}
   (( segid W   and resid 452   and name HG1 ))
   (( segid W   and resid 452   and name HD1 ))
      3.400     2.100     2.100 peak  2671 weight  0.10000E+01 volume  0.11483E-02 ppm1      2.059 ppm2      3.757 CV     1
 OR { 2671}
   (( segid W   and resid 452   and name HG2 ))
   (( segid W   and resid 452   and name HD1 ))
 ASSI { 2677}
   (( segid W   and resid 495   and name HA ))
   ( segid W   and resid 495   and name HG1%) 
      4.000     2.400     2.000 peak  2677 weight  0.10000E+01 volume  0.75806E-03 ppm1      4.096 ppm2      0.899 CV     1
 OR { 2677}
   (( segid W   and resid 495   and name HA ))
   ( segid W   and resid 495   and name HG2%) 
 ASSI { 2700}
   (( segid W   and resid 455   and name HA ))
   (( segid W   and resid 454   and name HB1 ))
      4.200     2.700     1.800 peak  2700 weight  0.10000E+01 volume  0.53405E-03 ppm1      4.385 ppm2      2.729 CV     1
 ASSI { 2701}
   (( segid W   and resid 458   and name HA ))
   (( segid W   and resid 457   and name HB1 ))
      6.000     5.500     0.000 peak  2701 weight  0.10000E+01 volume  0.51663E-04 ppm1      4.228 ppm2      2.731 CV     1
 ASSI { 2707}
   (( segid W   and resid 455   and name HB2 ))
   (( segid W   and resid 455   and name HB1 ))
      1.200     0.400     1.000 peak  2707 weight  0.10000E+01 volume  0.30209E+00 ppm1      3.893 ppm2      3.857 CV     1
 ASSI { 2714}
   (( segid W   and resid 494   and name HA ))
   (( segid W   and resid 494   and name HB1 ))
      3.200     1.600     1.600 peak  2714 weight  0.10000E+01 volume  0.26882E-02 ppm1      4.682 ppm2      2.719 CV     1
 ASSI { 2716}
   (( segid W   and resid 494   and name HD21)) 
   (( segid W   and resid 456   and name HB1 ))
      4.900     3.100     1.100 peak  2716 weight  0.10000E+01 volume  0.34169E-03 ppm1      7.567 ppm2      2.817 CV     1
 OR { 2716}
   (( segid W   and resid 494   and name HD21)) 
   (( segid W   and resid 456   and name HB2 ))
 ASSI { 2717}
   (( segid W   and resid 456   and name HD21)) 
   (( segid W   and resid 456   and name HB1 ))
      4.000     2.800     2.000 peak  2717 weight  0.10000E+01 volume  0.47524E-03 ppm1      7.646 ppm2      2.803 CV     1
 OR { 2717}
   (( segid W   and resid 456   and name HD21)) 
   (( segid W   and resid 456   and name HB2 ))
 ASSI { 2718}
   (( segid W   and resid 457   and name HN ))
   (( segid W   and resid 456   and name HB2 ))
      4.600     2.900     1.400 peak  2718 weight  0.10000E+01 volume  0.40624E-03 ppm1      8.189 ppm2      2.798 CV     1
 OR { 2718}
   (( segid W   and resid 457   and name HN ))
   (( segid W   and resid 456   and name HB1 ))
 ASSI { 2720}
   (( segid W   and resid 458   and name HB1 ))
   (( segid W   and resid 457   and name HA ))
      4.900     1.800     1.100 peak  2720 weight  0.10000E+01 volume  0.17319E-02 ppm1      1.633 ppm2      4.598 CV     1
 ASSI { 2725}
   (( segid W   and resid 491   and name HH21)) 
   (( segid W   and resid 458   and name HB1 ))
      5.500     3.000     0.500 peak  2725 weight  0.10000E+01 volume  0.34672E-03 ppm1      6.986 ppm2      1.619 CV     1
 ASSI { 2726}
   (( segid W   and resid 461   and name HN ))
   (( segid W   and resid 458   and name HB2 ))
      4.300     3.000     1.700 peak  2726 weight  0.10000E+01 volume  0.36717E-03 ppm1      8.681 ppm2      1.425 CV     1
 ASSI { 2731}
   (( segid W   and resid 458   and name HB1 ))
   (( segid W   and resid 458   and name HB2 ))
      1.500     0.700     0.700 peak  2731 weight  0.10000E+01 volume  0.51637E-01 ppm1      1.622 ppm2      1.425 CV     1
 OR { 2731}
   (( segid W   and resid 458   and name HG ))
   (( segid W   and resid 458   and name HB2 ))
 ASSI { 2733}
   (( segid W   and resid 491   and name HA ))
   (( segid W   and resid 458   and name HB2 ))
      6.000     4.100     0.000 peak  2733 weight  0.10000E+01 volume  0.13362E-03 ppm1      3.904 ppm2      1.426 CV     1
 ASSI { 2738}
   (( segid W   and resid 459   and name HA1 ))
   (( segid W   and resid 460   and name HB1 ))
      6.000     3.800     0.000 peak  2738 weight  0.10000E+01 volume  0.16896E-03 ppm1      3.942 ppm2      2.292 CV     1
 ASSI { 2741}
   (( segid W   and resid 459   and name HN ))
   (( segid W   and resid 460   and name HD1 ))
      5.100     2.200     0.900 peak  2741 weight  0.10000E+01 volume  0.93751E-03 ppm1      8.145 ppm2      3.612 CV     1
 ASSI { 2742}
   (( segid W   and resid 459   and name HN ))
   (( segid W   and resid 460   and name HD2 ))
      4.700     2.000     1.300 peak  2742 weight  0.10000E+01 volume  0.13013E-02 ppm1      8.150 ppm2      3.559 CV     1
 ASSI { 2744}
   (( segid W   and resid 460   and name HD1 ))
   (( segid W   and resid 460   and name HD2 ))
      1.200     0.500     1.000 peak  2744 weight  0.10000E+01 volume  0.16161E+00 ppm1      3.585 ppm2      3.573 CV     1
 ASSI { 2755}
   ( segid W   and resid 461   and name HD1%) 
   (( segid W   and resid 461   and name HB1 ))
      2.400     1.400     1.400 peak  2755 weight  0.10000E+01 volume  0.46965E-02 ppm1      1.125 ppm2      1.798 CV     1
 ASSI { 2756}
   (( segid W   and resid 465   and name HA ))
   (( segid W   and resid 461   and name HB1 ))
      5.500     3.200     0.500 peak  2756 weight  0.10000E+01 volume  0.28061E-03 ppm1      6.070 ppm2      1.803 CV     1
 ASSI { 2757}
   (( segid W   and resid 465   and name HD1 ))
   (( segid W   and resid 461   and name HB1 ))
      6.000     4.000     0.000 peak  2757 weight  0.10000E+01 volume  0.14514E-03 ppm1      7.095 ppm2      1.802 CV     1
 ASSI { 2767}
   (( segid W   and resid 461   and name HB2 ))
   (( segid W   and resid 461   and name HG ))
      2.500     1.400     1.400 peak  2767 weight  0.10000E+01 volume  0.43578E-02 ppm1      1.452 ppm2      1.836 CV     1
 ASSI { 2771}
   (( segid W   and resid 462   and name HD1 ))
   (( segid W   and resid 461   and name HG ))
      5.300     2.700     0.700 peak  2771 weight  0.10000E+01 volume  0.48399E-03 ppm1      3.319 ppm2      1.822 CV     1
 ASSI { 2772}
   (( segid W   and resid 461   and name HA ))
   (( segid W   and resid 461   and name HG ))
      3.600     2.000     2.000 peak  2772 weight  0.10000E+01 volume  0.14022E-02 ppm1      4.100 ppm2      1.824 CV     1
 ASSI { 2792}
   (( segid W   and resid 479   and name HB1 ))
   (( segid W   and resid 486   and name HG2 ))
      5.800     4.700     0.200 peak  2792 weight  0.10000E+01 volume  0.87263E-04 ppm1      0.109 ppm2      2.414 CV     1
 ASSI { 2794}
   (( segid W   and resid 463   and name HG2 ))
   (( segid W   and resid 463   and name HB2 ))
      2.400     1.000     1.000 peak  2794 weight  0.10000E+01 volume  0.15168E-01 ppm1      2.178 ppm2      2.017 CV     1
 ASSI { 2798}
   (( segid W   and resid 462   and name HA ))
   (( segid W   and resid 463   and name HB2 ))
      6.000     3.100     0.000 peak  2798 weight  0.10000E+01 volume  0.31591E-03 ppm1      4.775 ppm2      2.025 CV     1
 ASSI { 2800}
   (( segid W   and resid 462   and name HB2 ))
   (( segid W   and resid 463   and name HD2 ))
      3.400     1.200     1.200 peak  2800 weight  0.10000E+01 volume  0.62343E-02 ppm1      1.981 ppm2      3.664 CV     1
 ASSI { 2801}
   (( segid W   and resid 462   and name HB1 ))
   (( segid W   and resid 463   and name HD2 ))
      3.200     1.300     1.300 peak  2801 weight  0.10000E+01 volume  0.49511E-02 ppm1      2.518 ppm2      3.661 CV     1
 ASSI { 2807}
   (( segid W   and resid 462   and name HG1 ))
   (( segid W   and resid 463   and name HD1 ))
      6.000     5.400     0.000 peak  2807 weight  0.10000E+01 volume  0.55344E-04 ppm1      1.745 ppm2      3.938 CV     1
 ASSI { 2813}
   (( segid W   and resid 478   and name HN ))
   (( segid W   and resid 479   and name HA ))
      6.000     4.900     0.000 peak  2813 weight  0.10000E+01 volume  0.74184E-04 ppm1      9.544 ppm2      3.956 CV     1
 ASSI { 2816}
   (( segid W   and resid 465   and name HH2 ))
   (( segid W   and resid 479   and name HA ))
      4.400     2.600     1.600 peak  2816 weight  0.10000E+01 volume  0.60208E-03 ppm1      7.135 ppm2      3.952 CV     1
 ASSI { 2819}
   (( segid W   and resid 478   and name HA ))
   (( segid W   and resid 479   and name HA ))
      4.000     2.300     2.000 peak  2819 weight  0.10000E+01 volume  0.80256E-03 ppm1      4.339 ppm2      3.967 CV     1
 ASSI { 2822}
   ( segid W   and resid 478   and name HG2%) 
   (( segid W   and resid 479   and name HA ))
      4.200     2.700     1.800 peak  2822 weight  0.10000E+01 volume  0.51976E-03 ppm1      0.255 ppm2      3.963 CV     1
 ASSI { 2840}
   (( segid W   and resid 462   and name HA ))
   (( segid W   and resid 465   and name HB2 ))
      4.800     3.200     1.200 peak  2840 weight  0.10000E+01 volume  0.30367E-03 ppm1      4.775 ppm2      3.120 CV     1
 ASSI { 2845}
   (( segid W   and resid 462   and name HD2 ))
   (( segid W   and resid 465   and name HB2 ))
      2.600     2.200     2.200 peak  2845 weight  0.10000E+01 volume  0.10373E-02 ppm1      2.750 ppm2      3.133 CV     1
 ASSI { 2848}
   (( segid W   and resid 490   and name HG2 ))
   (( segid W   and resid 465   and name HB1 ))
      4.400     3.400     1.600 peak  2848 weight  0.10000E+01 volume  0.23932E-03 ppm1      0.084 ppm2      3.365 CV     1
 ASSI { 2861}
   (( segid W   and resid 462   and name HB1 ))
   (( segid W   and resid 465   and name HD1 ))
      4.900     2.100     1.100 peak  2861 weight  0.10000E+01 volume  0.11374E-02 ppm1      2.523 ppm2      7.103 CV     1
 ASSI { 2865}
   (( segid W   and resid 490   and name HG2 ))
   (( segid W   and resid 465   and name HD1 ))
      5.300     3.900     0.700 peak  2865 weight  0.10000E+01 volume  0.15345E-03 ppm1      0.081 ppm2      7.099 CV     1
 ASSI { 2869}
   (( segid W   and resid 465   and name HZ3 ))
   (( segid W   and resid 465   and name HZ2 ))
      4.200     2.100     1.800 peak  2869 weight  0.10000E+01 volume  0.10919E-02 ppm1      6.799 ppm2      7.482 CV     1
 ASSI { 2870}
   (( segid W   and resid 477   and name HB2 ))
   (( segid W   and resid 465   and name HZ2 ))
      6.000     4.200     0.000 peak  2870 weight  0.10000E+01 volume  0.12778E-03 ppm1      3.275 ppm2      7.490 CV     1
 ASSI { 2876}
   (( segid W   and resid 465   and name HE1 ))
   (( segid W   and resid 481   and name HD22)) 
      3.500     1.800     1.800 peak  2876 weight  0.10000E+01 volume  0.17769E-02 ppm1     10.540 ppm2      7.483 CV     1
 ASSI { 2880}
   (( segid W   and resid 479   and name HD21)) 
   (( segid W   and resid 465   and name HH2 ))
      4.500     3.000     1.500 peak  2880 weight  0.10000E+01 volume  0.34946E-03 ppm1      6.223 ppm2      7.122 CV     1
 ASSI { 2884}
   (( segid W   and resid 477   and name HB2 ))
   (( segid W   and resid 465   and name HH2 ))
      6.000     4.400     0.000 peak  2884 weight  0.10000E+01 volume  0.10786E-03 ppm1      3.275 ppm2      7.133 CV     1
 ASSI { 2885}
   (( segid W   and resid 477   and name HB1 ))
   (( segid W   and resid 465   and name HH2 ))
      5.200     2.900     0.800 peak  2885 weight  0.10000E+01 volume  0.41123E-03 ppm1      3.084 ppm2      7.138 CV     1
 ASSI { 2886}
   (( segid W   and resid 490   and name HD1 ))
   (( segid W   and resid 465   and name HH2 ))
      6.000     4.900     0.000 peak  2886 weight  0.10000E+01 volume  0.73964E-04 ppm1      2.721 ppm2      7.131 CV     1
 OR { 2886}
   (( segid W   and resid 490   and name HD2 ))
   (( segid W   and resid 465   and name HH2 ))
 ASSI { 2887}
   (( segid W   and resid 486   and name HB1 ))
   (( segid W   and resid 465   and name HH2 ))
      5.900     3.800     0.100 peak  2887 weight  0.10000E+01 volume  0.16555E-03 ppm1      2.539 ppm2      7.130 CV     1
 OR { 2887}
   (( segid W   and resid 486   and name HB2 ))
   (( segid W   and resid 465   and name HH2 ))
 ASSI { 2900}
   (( segid W   and resid 486   and name HA ))
   (( segid W   and resid 465   and name HZ3 ))
      6.000     4.900     0.000 peak  2900 weight  0.10000E+01 volume  0.76730E-04 ppm1      4.813 ppm2      6.796 CV     1
 ASSI { 2901}
   (( segid W   and resid 477   and name HA ))
   (( segid W   and resid 465   and name HZ3 ))
      6.000     5.400     0.000 peak  2901 weight  0.10000E+01 volume  0.55336E-04 ppm1      5.272 ppm2      6.807 CV     1
 ASSI { 2903}
   (( segid W   and resid 465   and name HE3 ))
   (( segid W   and resid 465   and name HZ3 ))
      2.400     1.300     1.300 peak  2903 weight  0.10000E+01 volume  0.56437E-02 ppm1      7.469 ppm2      6.800 CV     1
 OR { 2903}
   (( segid W   and resid 465   and name HZ2 ))
   (( segid W   and resid 465   and name HZ3 ))
 ASSI { 2907}
   (( segid W   and resid 477   and name HN ))
   (( segid W   and resid 465   and name HE3 ))
      6.000     5.700     0.000 peak  2907 weight  0.10000E+01 volume  0.47349E-04 ppm1      8.949 ppm2      7.476 CV     1
 ASSI { 2912}
   (( segid W   and resid 486   and name HG1 ))
   (( segid W   and resid 465   and name HE3 ))
      6.000     3.300     0.000 peak  2912 weight  0.10000E+01 volume  0.26750E-03 ppm1      2.919 ppm2      7.465 CV     1
 ASSI { 2915}
   (( segid W   and resid 486   and name HG2 ))
   (( segid W   and resid 465   and name HE3 ))
      5.000     2.500     1.000 peak  2915 weight  0.10000E+01 volume  0.65473E-03 ppm1      2.409 ppm2      7.466 CV     1
 ASSI { 2916}
   (( segid W   and resid 479   and name HB2 ))
   (( segid W   and resid 465   and name HE3 ))
      5.500     3.800     0.500 peak  2916 weight  0.10000E+01 volume  0.17035E-03 ppm1      2.084 ppm2      7.465 CV     1
 ASSI { 2919}
   (( segid W   and resid 490   and name HG1 ))
   (( segid W   and resid 465   and name HE3 ))
      4.800     4.700     1.200 peak  2919 weight  0.10000E+01 volume  0.86943E-04 ppm1      0.550 ppm2      7.468 CV     1
 ASSI { 2923}
   (( segid W   and resid 466   and name HG1 ))
   (( segid W   and resid 466   and name HA ))
      3.000     1.100     1.100 peak  2923 weight  0.10000E+01 volume  0.86090E-02 ppm1      2.420 ppm2      4.799 CV     1
 ASSI { 2925}
   (( segid W   and resid 466   and name HB1 ))
   (( segid W   and resid 466   and name HB2 ))
      1.400     0.600     0.800 peak  2925 weight  0.10000E+01 volume  0.59467E-01 ppm1      2.149 ppm2      2.031 CV     1
 ASSI { 2960}
   (( segid W   and resid 468   and name HA ))
   (( segid W   and resid 469   and name HB ))
      4.700     2.200     1.300 peak  2960 weight  0.10000E+01 volume  0.96403E-03 ppm1      4.386 ppm2      3.961 CV     1
 ASSI { 2962}
   (( segid W   and resid 470   and name HA ))
   (( segid W   and resid 469   and name HB ))
      5.300     3.900     0.700 peak  2962 weight  0.10000E+01 volume  0.15077E-03 ppm1      5.257 ppm2      3.966 CV     1
 ASSI { 2963}
   (( segid W   and resid 476   and name HN ))
   (( segid W   and resid 469   and name HB ))
      6.000     3.700     0.000 peak  2963 weight  0.10000E+01 volume  0.18329E-03 ppm1      8.955 ppm2      3.965 CV     1
 ASSI { 2967}
   (( segid W   and resid 469   and name HA ))
   (( segid W   and resid 470   and name HA ))
      4.000     2.000     2.000 peak  2967 weight  0.10000E+01 volume  0.12429E-02 ppm1      4.729 ppm2      5.253 CV     1
 ASSI { 2973}
   (( segid W   and resid 487   and name HZ2 ))
   (( segid W   and resid 470   and name HA ))
      3.800     3.800     2.200 peak  2973 weight  0.10000E+01 volume  0.22883E-02 ppm1      7.084 ppm2      5.255 CV     1
 ASSI { 2974}
   (( segid W   and resid 470   and name HD2 ))
   (( segid W   and resid 470   and name HA ))
      4.400     2.400     1.600 peak  2974 weight  0.10000E+01 volume  0.71584E-03 ppm1      7.320 ppm2      5.251 CV     1
 ASSI { 2984}
   (( segid W   and resid 473   and name HN ))
   (( segid W   and resid 470   and name HB2 ))
      4.900     2.500     1.100 peak  2984 weight  0.10000E+01 volume  0.62905E-03 ppm1      8.099 ppm2      3.949 CV     1
 ASSI { 2985}
   ( segid W   and resid 476   and name HD% )
   (( segid W   and resid 470   and name HB2 ))
      2.300     2.300     3.700 peak  2985 weight  0.10000E+01 volume  0.47013E-02 ppm1      6.917 ppm2      3.950 CV     1
 ASSI { 2986}
   (( segid W   and resid 487   and name HZ2 ))
   (( segid W   and resid 470   and name HB2 ))
      5.200     3.400     0.800 peak  2986 weight  0.10000E+01 volume  0.24311E-03 ppm1      7.091 ppm2      3.950 CV     1
 ASSI { 2988}
   (( segid W   and resid 475   and name HA ))
   (( segid W   and resid 470   and name HB2 ))
      5.200     3.800     0.800 peak  2988 weight  0.10000E+01 volume  0.16622E-03 ppm1      4.805 ppm2      3.948 CV     1
 ASSI { 2989}
   (( segid W   and resid 469   and name HA ))
   (( segid W   and resid 470   and name HB2 ))
      4.800     2.500     1.200 peak  2989 weight  0.10000E+01 volume  0.62633E-03 ppm1      4.715 ppm2      3.951 CV     1
 ASSI { 3004}
   (( segid B   and resid 614   and name HA ))
   (( segid W   and resid 487   and name HB2 ))
      6.000     6.000     0.000 peak  3004 weight  0.10000E+01 volume  0.17179E-04 ppm1      4.907 ppm2      3.618 CV     1
 ASSI { 3005}
   (( segid W   and resid 474   and name HN ))
   (( segid W   and resid 470   and name HD2 ))
      4.800     2.900     1.200 peak  3005 weight  0.10000E+01 volume  0.40450E-03 ppm1      8.212 ppm2      7.349 CV     1
 ASSI { 3012}
   (( segid W   and resid 472   and name HB1 ))
   (( segid W   and resid 470   and name HD2 ))
      6.000     4.700     0.000 peak  3012 weight  0.10000E+01 volume  0.89627E-04 ppm1      3.090 ppm2      7.338 CV     1
 ASSI { 3013}
   (( segid W   and resid 472   and name HB2 ))
   (( segid W   and resid 470   and name HD2 ))
      3.400     2.600     2.600 peak  3013 weight  0.10000E+01 volume  0.54275E-03 ppm1      2.533 ppm2      7.339 CV     1
 ASSI { 3016}
   (( segid W   and resid 474   and name HB2 ))
   (( segid W   and resid 470   and name HD2 ))
      4.800     3.400     1.200 peak  3016 weight  0.10000E+01 volume  0.24595E-03 ppm1      1.893 ppm2      7.341 CV     1
 ASSI { 3017}
   (( segid W   and resid 474   and name HG1 ))
   (( segid W   and resid 470   and name HD2 ))
      5.700     3.200     0.300 peak  3017 weight  0.10000E+01 volume  0.28265E-03 ppm1      1.611 ppm2      7.341 CV     1
 OR { 3017}
   (( segid W   and resid 474   and name HG2 ))
   (( segid W   and resid 470   and name HD2 ))
 ASSI { 3024}
   (( segid W   and resid 470   and name HA ))
   (( segid W   and resid 471   and name HA ))
      4.400     2.500     1.600 peak  3024 weight  0.10000E+01 volume  0.61793E-03 ppm1      5.245 ppm2      3.907 CV     1
 ASSI { 3027}
   (( segid W   and resid 472   and name HA ))
   (( segid W   and resid 471   and name HA ))
      4.400     2.700     1.600 peak  3027 weight  0.10000E+01 volume  0.48991E-03 ppm1      4.552 ppm2      3.904 CV     1
 ASSI { 3030}
   (( segid W   and resid 472   and name HB2 ))
   (( segid W   and resid 471   and name HB ))
      4.600     2.600     1.400 peak  3030 weight  0.10000E+01 volume  0.59901E-03 ppm1      2.523 ppm2      4.053 CV     1
 ASSI { 3042}
   (( segid W   and resid 471   and name HN ))
   (( segid W   and resid 472   and name HB2 ))
      5.400     2.900     0.600 peak  3042 weight  0.10000E+01 volume  0.42333E-03 ppm1      6.928 ppm2      2.534 CV     1
 ASSI { 3048}
   (( segid W   and resid 491   and name HA ))
   (( segid W   and resid 462   and name HD1 ))
      5.600     3.500     0.400 peak  3048 weight  0.10000E+01 volume  0.22239E-03 ppm1      3.911 ppm2      3.317 CV     1
 ASSI { 3051}
   (( segid W   and resid 475   and name HN ))
   (( segid W   and resid 473   and name HA2 ))
      5.000     3.500     1.000 peak  3051 weight  0.10000E+01 volume  0.21415E-03 ppm1      8.467 ppm2      3.540 CV     1
 ASSI { 3053}
   (( segid W   and resid 470   and name HA ))
   (( segid W   and resid 473   and name HA2 ))
      5.900     4.300     0.100 peak  3053 weight  0.10000E+01 volume  0.11359E-03 ppm1      5.261 ppm2      3.542 CV     1
 ASSI { 3061}
   (( segid W   and resid 472   and name HB1 ))
   (( segid W   and resid 474   and name HG1 ))
      4.900     3.200     1.100 peak  3061 weight  0.10000E+01 volume  0.30030E-03 ppm1      3.073 ppm2      1.619 CV     1
 OR { 3061}
   (( segid W   and resid 472   and name HB1 ))
   (( segid W   and resid 474   and name HG2 ))
 ASSI { 3064}
   (( segid W   and resid 487   and name HZ2 ))
   (( segid W   and resid 474   and name HD1 ))
      5.300     3.700     0.700 peak  3064 weight  0.10000E+01 volume  0.18049E-03 ppm1      7.088 ppm2      2.695 CV     1
 ASSI { 3065}
   (( segid W   and resid 487   and name HZ2 ))
   (( segid W   and resid 474   and name HD2 ))
      5.500     3.800     0.500 peak  3065 weight  0.10000E+01 volume  0.16820E-03 ppm1      7.093 ppm2      2.632 CV     1
 ASSI { 3066}
   (( segid W   and resid 487   and name HH2 ))
   (( segid W   and resid 474   and name HD1 ))
      3.700     2.200     2.200 peak  3066 weight  0.10000E+01 volume  0.10381E-02 ppm1      6.824 ppm2      2.671 CV     1
 ASSI { 3088}
   (( segid W   and resid 469   and name HB ))
   (( segid W   and resid 475   and name HB ))
      4.700     2.500     1.300 peak  3088 weight  0.10000E+01 volume  0.63205E-03 ppm1      3.964 ppm2      1.939 CV     1
 ASSI { 3095}
   ( segid W   and resid 477   and name HD% )
   (( segid W   and resid 476   and name HA ))
      3.100     3.100     2.900 peak  3095 weight  0.10000E+01 volume  0.25409E-02 ppm1      7.073 ppm2      5.160 CV     1
 ASSI { 3105}
   (( segid W   and resid 486   and name HN ))
   (( segid W   and resid 476   and name HB2 ))
      4.000     3.100     2.000 peak  3105 weight  0.10000E+01 volume  0.33917E-03 ppm1      9.289 ppm2      3.163 CV     1
 ASSI { 3108}
   (( segid W   and resid 485   and name HB ))
   (( segid W   and resid 476   and name HB2 ))
      4.900     2.800     1.100 peak  3108 weight  0.10000E+01 volume  0.42607E-03 ppm1      4.022 ppm2      3.148 CV     1
 ASSI { 3109}
   (( segid W   and resid 487   and name HB2 ))
   (( segid W   and resid 476   and name HB2 ))
      5.100     3.100     0.900 peak  3109 weight  0.10000E+01 volume  0.32604E-03 ppm1      3.611 ppm2      3.163 CV     1
 ASSI { 3119}
   (( segid B   and resid 615   and name HB2 ))
   (( segid W   and resid 476   and name HB2 ))
      4.900     2.900     1.100 peak  3119 weight  0.10000E+01 volume  0.40247E-03 ppm1      0.722 ppm2      3.152 CV     1
 ASSI { 3123}
   (( segid W   and resid 474   and name HB2 ))
   (( segid W   and resid 476   and name HB1 ))
      4.300     2.400     1.700 peak  3123 weight  0.10000E+01 volume  0.76509E-03 ppm1      1.898 ppm2      2.502 CV     1
 ASSI { 3129}
   ( segid W   and resid 477   and name HD% )
   (( segid W   and resid 476   and name HB1 ))
      4.700     2.300     1.300 peak  3129 weight  0.10000E+01 volume  0.86407E-03 ppm1      7.079 ppm2      2.514 CV     1
 ASSI { 3131}
   (( segid W   and resid 470   and name HE1 ))
   (( segid W   and resid 476   and name HB1 ))
      6.000     4.600     0.000 peak  3131 weight  0.10000E+01 volume  0.95537E-04 ppm1      7.784 ppm2      2.513 CV     1
 ASSI { 3133}
   (( segid W   and resid 470   and name HN ))
   (( segid W   and resid 476   and name HB1 ))
      6.000     4.400     0.000 peak  3133 weight  0.10000E+01 volume  0.10549E-03 ppm1      9.820 ppm2      2.506 CV     1
 ASSI { 3140}
   (( segid W   and resid 476   and name HB1 ))
   ( segid W   and resid 476   and name HD% )
      2.600     1.400     1.400 peak  3140 weight  0.10000E+01 volume  0.38891E-02 ppm1      2.510 ppm2      6.937 CV     1
 ASSI { 3149}
   (( segid W   and resid 470   and name HA ))
   ( segid W   and resid 476   and name HD% )
      3.400     1.800     1.800 peak  3149 weight  0.10000E+01 volume  0.18094E-02 ppm1      5.236 ppm2      6.939 CV     1
 ASSI { 3154}
   (( segid W   and resid 476   and name HB1 ))
   ( segid W   and resid 476   and name HE% )
      5.100     3.000     0.900 peak  3154 weight  0.10000E+01 volume  0.37823E-03 ppm1      2.499 ppm2      6.871 CV     1
 ASSI { 3158}
   (( segid W   and resid 485   and name HB ))
   ( segid W   and resid 476   and name HE% )
      3.300     2.600     2.600 peak  3158 weight  0.10000E+01 volume  0.59013E-03 ppm1      4.054 ppm2      6.860 CV     1
 ASSI { 3162}
   (( segid W   and resid 468   and name HN ))
   ( segid W   and resid 476   and name HE% )
      4.700     3.100     1.300 peak  3162 weight  0.10000E+01 volume  0.34063E-03 ppm1      8.342 ppm2      6.874 CV     1
 ASSI { 3168}
   (( segid W   and resid 486   and name HE22)) 
   (( segid W   and resid 477   and name HB2 ))
      4.000     3.500     2.000 peak  3168 weight  0.10000E+01 volume  0.21993E-03 ppm1      8.310 ppm2      3.278 CV     1
 ASSI { 3175}
   (( segid W   and resid 491   and name HN ))
   (( segid W   and resid 477   and name HB1 ))
      6.000     6.000     0.000 peak  3175 weight  0.10000E+01 volume  0.86695E-05 ppm1      8.632 ppm2      3.059 CV     1
 ASSI { 3176}
   ( segid W   and resid 477   and name HE% )
   (( segid W   and resid 477   and name HB1 ))
      3.800     3.800     2.200 peak  3176 weight  0.10000E+01 volume  0.25314E-02 ppm1      7.365 ppm2      3.073 CV     1
 ASSI { 3182}
   (( segid W   and resid 486   and name HA ))
   (( segid W   and resid 477   and name HB2 ))
      5.000     2.800     1.000 peak  3182 weight  0.10000E+01 volume  0.47082E-03 ppm1      4.793 ppm2      3.282 CV     1
 ASSI { 3187}
   (( segid W   and resid 477   and name HB1 ))
   (( segid W   and resid 477   and name HB2 ))
      1.700     1.000     1.000 peak  3187 weight  0.10000E+01 volume  0.11739E-01 ppm1      3.071 ppm2      3.286 CV     1
 ASSI { 3188}
   (( segid W   and resid 490   and name HD1 ))
   (( segid W   and resid 477   and name HB2 ))
      3.000     2.100     2.100 peak  3188 weight  0.10000E+01 volume  0.11813E-02 ppm1      2.718 ppm2      3.282 CV     1
 OR { 3188}
   (( segid W   and resid 490   and name HD2 ))
   (( segid W   and resid 477   and name HB2 ))
 ASSI { 3189}
   (( segid W   and resid 486   and name HB2 ))
   (( segid W   and resid 477   and name HB2 ))
      5.600     3.200     0.400 peak  3189 weight  0.10000E+01 volume  0.29630E-03 ppm1      2.542 ppm2      3.279 CV     1
 OR { 3189}
   (( segid W   and resid 486   and name HB1 ))
   (( segid W   and resid 477   and name HB2 ))
 ASSI { 3190}
   (( segid W   and resid 486   and name HG2 ))
   (( segid W   and resid 477   and name HB2 ))
      3.900     2.300     2.100 peak  3190 weight  0.10000E+01 volume  0.87133E-03 ppm1      2.402 ppm2      3.288 CV     1
 ASSI { 3192}
   (( segid W   and resid 490   and name HG2 ))
   (( segid W   and resid 477   and name HB2 ))
      5.600     3.300     0.400 peak  3192 weight  0.10000E+01 volume  0.27771E-03 ppm1      0.077 ppm2      3.274 CV     1
 ASSI { 3195}
   (( segid W   and resid 486   and name HB2 ))
   (( segid W   and resid 477   and name HB1 ))
      4.900     1.900     1.100 peak  3195 weight  0.10000E+01 volume  0.15507E-02 ppm1      2.533 ppm2      3.083 CV     1
 OR { 3195}
   (( segid W   and resid 486   and name HB1 ))
   (( segid W   and resid 477   and name HB1 ))
 ASSI { 3196}
   (( segid W   and resid 486   and name HG2 ))
   (( segid W   and resid 477   and name HB1 ))
      4.300     1.900     1.700 peak  3196 weight  0.10000E+01 volume  0.16397E-02 ppm1      2.407 ppm2      3.071 CV     1
 ASSI { 3201}
   (( segid W   and resid 490   and name HG2 ))
   ( segid W   and resid 477   and name HD% )
      4.600     3.700     1.400 peak  3201 weight  0.10000E+01 volume  0.18140E-03 ppm1      0.085 ppm2      7.080 CV     1
 ASSI { 3209}
   (( segid W   and resid 490   and name HD2 ))
   ( segid W   and resid 477   and name HD% )
      3.200     2.000     2.000 peak  3209 weight  0.10000E+01 volume  0.12536E-02 ppm1      2.722 ppm2      7.079 CV     1
 OR { 3209}
   (( segid W   and resid 490   and name HD1 ))
   ( segid W   and resid 477   and name HD% )
 ASSI { 3221}
   (( segid W   and resid 489   and name HB1 ))
   ( segid W   and resid 477   and name HE% )
      4.300     3.000     1.700 peak  3221 weight  0.10000E+01 volume  0.34850E-03 ppm1      2.580 ppm2      7.362 CV     1
 ASSI { 3222}
   (( segid W   and resid 489   and name HB2 ))
   ( segid W   and resid 477   and name HE% )
      4.900     2.800     1.100 peak  3222 weight  0.10000E+01 volume  0.47046E-03 ppm1      2.238 ppm2      7.356 CV     1
 ASSI { 3227}
   (( segid W   and resid 480   and name HD2 ))
   (( segid W   and resid 478   and name HB ))
      4.700     2.400     1.300 peak  3227 weight  0.10000E+01 volume  0.79079E-03 ppm1      6.889 ppm2      1.498 CV     1
 ASSI { 3239}
   (( segid W   and resid 479   and name HA ))
   (( segid W   and resid 480   and name HB1 ))
      6.000     2.800     0.000 peak  3239 weight  0.10000E+01 volume  0.43250E-03 ppm1      3.944 ppm2      3.222 CV     1
 ASSI { 3245}
   (( segid W   and resid 479   and name HB2 ))
   (( segid W   and resid 480   and name HB2 ))
      5.800     3.700     0.200 peak  3245 weight  0.10000E+01 volume  0.17952E-03 ppm1      2.081 ppm2      3.106 CV     1
 ASSI { 3253}
   (( segid W   and resid 480   and name HA ))
   (( segid W   and resid 480   and name HD2 ))
      4.600     3.500     1.400 peak  3253 weight  0.10000E+01 volume  0.22099E-03 ppm1      4.187 ppm2      6.899 CV     1
 ASSI { 3254}
   (( segid W   and resid 479   and name HA ))
   (( segid W   and resid 480   and name HD2 ))
      4.000     2.700     2.000 peak  3254 weight  0.10000E+01 volume  0.52557E-03 ppm1      3.953 ppm2      6.906 CV     1
 ASSI { 3257}
   (( segid W   and resid 480   and name HB2 ))
   (( segid W   and resid 480   and name HD2 ))
      3.100     1.600     1.600 peak  3257 weight  0.10000E+01 volume  0.27434E-02 ppm1      3.110 ppm2      6.901 CV     1
 ASSI { 3272}
   (( segid W   and resid 482   and name HG11)) 
   (( segid W   and resid 481   and name HB2 ))
      5.700     3.500     0.300 peak  3272 weight  0.10000E+01 volume  0.22757E-03 ppm1      0.940 ppm2      2.713 CV     1
 ASSI { 3274}
   (( segid W   and resid 482   and name HB ))
   (( segid W   and resid 481   and name HB2 ))
      5.700     3.400     0.300 peak  3274 weight  0.10000E+01 volume  0.24766E-03 ppm1      1.924 ppm2      2.725 CV     1
 ASSI { 3294}
   (( segid W   and resid 484   and name HA ))
   (( segid W   and resid 482   and name HG11)) 
      6.000     5.400     0.000 peak  3294 weight  0.10000E+01 volume  0.57242E-04 ppm1      4.872 ppm2      0.931 CV     1
 ASSI { 3302}
   (( segid W   and resid 479   and name HD21)) 
   (( segid W   and resid 484   and name HB2 ))
      5.900     5.900     0.100 peak  3302 weight  0.10000E+01 volume  0.40185E-04 ppm1      6.232 ppm2      1.664 CV     1
 ASSI { 3303}
   (( segid W   and resid 479   and name HN ))
   (( segid W   and resid 484   and name HB1 ))
      5.400     5.300     0.600 peak  3303 weight  0.10000E+01 volume  0.60317E-04 ppm1      8.475 ppm2      1.477 CV     1
 ASSI { 3304}
   (( segid B   and resid 618   and name HN ))
   (( segid W   and resid 484   and name HG2 ))
      5.400     5.400     0.600 peak  3304 weight  0.10000E+01 volume  0.32326E-04 ppm1      9.161 ppm2      1.388 CV     1
 OR { 3304}
   (( segid B   and resid 618   and name HN ))
   (( segid W   and resid 484   and name HG1 ))
 ASSI { 3307}
   (( segid W   and resid 486   and name HG2 ))
   (( segid W   and resid 484   and name HG2 ))
      6.000     5.800     0.000 peak  3307 weight  0.10000E+01 volume  0.45923E-04 ppm1      2.400 ppm2      1.368 CV     1
 OR { 3307}
   (( segid W   and resid 486   and name HG2 ))
   (( segid W   and resid 484   and name HG1 ))
 ASSI { 3308}
   (( segid W   and resid 482   and name HG11)) 
   (( segid W   and resid 484   and name HG1 ))
      4.800     2.700     1.200 peak  3308 weight  0.10000E+01 volume  0.47910E-03 ppm1      0.925 ppm2      1.385 CV     1
 OR { 3308}
   (( segid W   and resid 482   and name HG11)) 
   (( segid W   and resid 484   and name HG2 ))
 ASSI { 3318}
   (( segid W   and resid 482   and name HG11)) 
   (( segid W   and resid 484   and name HD1 ))
      6.000     5.700     0.000 peak  3318 weight  0.10000E+01 volume  0.47140E-04 ppm1      0.939 ppm2      1.752 CV     1
 ASSI { 3319}
   ( segid W   and resid 482   and name HD1%) 
   (( segid W   and resid 484   and name HD1 ))
      4.000     4.000     2.000 peak  3319 weight  0.10000E+01 volume  0.15307E-02 ppm1      0.738 ppm2      1.761 CV     1
 OR { 3319}
   (( segid W   and resid 482   and name HG12)) 
   (( segid W   and resid 484   and name HD1 ))
 ASSI { 3320}
   ( segid W   and resid 482   and name HD1%) 
   (( segid W   and resid 484   and name HD2 ))
      3.500     2.000     2.000 peak  3320 weight  0.10000E+01 volume  0.12831E-02 ppm1      0.739 ppm2      1.697 CV     1
 OR { 3320}
   (( segid W   and resid 482   and name HG12)) 
   (( segid W   and resid 484   and name HD2 ))
 ASSI { 3322}
   (( segid W   and resid 484   and name HD2 ))
   (( segid W   and resid 484   and name HE1 ))
      2.800     1.400     1.400 peak  3322 weight  0.10000E+01 volume  0.39836E-02 ppm1      1.712 ppm2      3.041 CV     1
 OR { 3322}
   (( segid W   and resid 484   and name HD2 ))
   (( segid W   and resid 484   and name HE2 ))
 ASSI { 3358}
   (( segid W   and resid 470   and name HD2 ))
   (( segid W   and resid 487   and name HZ2 ))
      3.900     2.800     2.100 peak  3358 weight  0.10000E+01 volume  0.47623E-03 ppm1      7.338 ppm2      7.074 CV     1
 ASSI { 3369}
   (( segid W   and resid 470   and name HB1 ))
   (( segid W   and resid 487   and name HZ2 ))
      5.200     3.200     0.800 peak  3369 weight  0.10000E+01 volume  0.29670E-03 ppm1      3.361 ppm2      7.083 CV     1
 ASSI { 3373}
   (( segid W   and resid 474   and name HB2 ))
   (( segid W   and resid 487   and name HZ2 ))
      4.600     2.300     1.400 peak  3373 weight  0.10000E+01 volume  0.83019E-03 ppm1      1.886 ppm2      7.076 CV     1
 ASSI { 3379}
   (( segid W   and resid 470   and name HB2 ))
   (( segid W   and resid 487   and name HH2 ))
      3.900     3.200     2.100 peak  3379 weight  0.10000E+01 volume  0.28927E-03 ppm1      3.959 ppm2      6.810 CV     1
 ASSI { 3383}
   (( segid W   and resid 474   and name HB1 ))
   (( segid W   and resid 487   and name HH2 ))
      4.700     2.600     1.300 peak  3383 weight  0.10000E+01 volume  0.60515E-03 ppm1      2.137 ppm2      6.812 CV     1
 ASSI { 3398}
   (( segid W   and resid 487   and name HA ))
   (( segid W   and resid 487   and name HZ3 ))
      5.300     2.800     0.700 peak  3398 weight  0.10000E+01 volume  0.45156E-03 ppm1      5.219 ppm2      6.890 CV     1
 ASSI { 3399}
   (( segid W   and resid 474   and name HA ))
   (( segid W   and resid 487   and name HZ3 ))
      6.000     4.100     0.000 peak  3399 weight  0.10000E+01 volume  0.12923E-03 ppm1      4.441 ppm2      6.890 CV     1
 ASSI { 3402}
   (( segid W   and resid 472   and name HB2 ))
   (( segid W   and resid 487   and name HZ3 ))
      4.900     2.600     1.100 peak  3402 weight  0.10000E+01 volume  0.56026E-03 ppm1      2.531 ppm2      6.890 CV     1
 ASSI { 3405}
   (( segid W   and resid 474   and name HG2 ))
   (( segid W   and resid 487   and name HZ3 ))
      6.000     3.200     0.000 peak  3405 weight  0.10000E+01 volume  0.28307E-03 ppm1      1.604 ppm2      6.890 CV     1
 OR { 3405}
   (( segid W   and resid 474   and name HG1 ))
   (( segid W   and resid 487   and name HZ3 ))
 ASSI { 3406}
   (( segid W   and resid 470   and name HB1 ))
   (( segid W   and resid 487   and name HZ3 ))
      5.500     3.600     0.500 peak  3406 weight  0.10000E+01 volume  0.19978E-03 ppm1      3.363 ppm2      6.891 CV     1
 ASSI { 3411}
   (( segid W   and resid 474   and name HB1 ))
   (( segid W   and resid 487   and name HE3 ))
      5.700     3.700     0.300 peak  3411 weight  0.10000E+01 volume  0.18215E-03 ppm1      2.140 ppm2      8.316 CV     1
 ASSI { 3412}
   (( segid W   and resid 474   and name HB2 ))
   (( segid W   and resid 487   and name HE3 ))
      5.500     3.000     0.500 peak  3412 weight  0.10000E+01 volume  0.35330E-03 ppm1      1.894 ppm2      8.316 CV     1
 ASSI { 3419}
   ( segid W   and resid 477   and name HD% )
   (( segid W   and resid 489   and name HA ))
      3.200     1.700     1.700 peak  3419 weight  0.10000E+01 volume  0.21737E-02 ppm1      7.085 ppm2      2.893 CV     1
 ASSI { 3423}
   (( segid W   and resid 477   and name HB2 ))
   (( segid W   and resid 489   and name HA ))
      4.900     3.100     1.100 peak  3423 weight  0.10000E+01 volume  0.32293E-03 ppm1      3.295 ppm2      2.884 CV     1
 ASSI { 3432}
   (( segid W   and resid 491   and name HG2 ))
   (( segid W   and resid 489   and name HA ))
      5.400     3.300     0.600 peak  3432 weight  0.10000E+01 volume  0.27653E-03 ppm1      1.149 ppm2      2.890 CV     1
 ASSI { 3435}
   ( segid W   and resid 477   and name HD% )
   (( segid W   and resid 489   and name HB1 ))
      4.700     2.800     1.300 peak  3435 weight  0.10000E+01 volume  0.42760E-03 ppm1      7.090 ppm2      2.569 CV     1
 ASSI { 3441}
   (( segid W   and resid 492   and name HB1 ))
   (( segid W   and resid 489   and name HB1 ))
      4.700     2.200     1.300 peak  3441 weight  0.10000E+01 volume  0.10335E-02 ppm1      1.918 ppm2      2.576 CV     1
 ASSI { 3444}
   (( segid W   and resid 491   and name HG2 ))
   (( segid W   and resid 489   and name HB2 ))
      6.000     3.300     0.000 peak  3444 weight  0.10000E+01 volume  0.26298E-03 ppm1      1.152 ppm2      2.249 CV     1
 ASSI { 3447}
   (( segid W   and resid 492   and name HB1 ))
   (( segid W   and resid 489   and name HB2 ))
      4.500     3.400     1.500 peak  3447 weight  0.10000E+01 volume  0.23398E-03 ppm1      1.938 ppm2      2.251 CV     1
 ASSI { 3452}
   (( segid W   and resid 488   and name HA ))
   (( segid W   and resid 489   and name HB2 ))
      4.100     2.000     1.900 peak  3452 weight  0.10000E+01 volume  0.12335E-02 ppm1      4.164 ppm2      2.253 CV     1
 ASSI { 3466}
   (( segid W   and resid 491   and name HB1 ))
   (( segid W   and resid 490   and name HA ))
      5.400     3.400     0.600 peak  3466 weight  0.10000E+01 volume  0.23504E-03 ppm1      1.585 ppm2      4.005 CV     1
 ASSI { 3467}
   (( segid W   and resid 462   and name HG2 ))
   (( segid W   and resid 490   and name HA ))
      4.400     2.300     1.600 peak  3467 weight  0.10000E+01 volume  0.84312E-03 ppm1      1.376 ppm2      3.994 CV     1
 ASSI { 3468}
   (( segid W   and resid 491   and name HG2 ))
   (( segid W   and resid 490   and name HA ))
      6.000     6.000     0.000 peak  3468 weight  0.10000E+01 volume  0.30799E-04 ppm1      1.177 ppm2      3.994 CV     1
 ASSI { 3475}
   (( segid W   and resid 486   and name HG2 ))
   (( segid W   and resid 490   and name HG2 ))
      6.000     5.400     0.000 peak  3475 weight  0.10000E+01 volume  0.56903E-04 ppm1      2.411 ppm2      0.081 CV     1
 ASSI { 3482}
   (( segid W   and resid 483   and name HE2 ))
   (( segid W   and resid 483   and name HA ))
      6.000     3.800     0.000 peak  3482 weight  0.10000E+01 volume  0.16713E-03 ppm1      2.950 ppm2      2.309 CV     1
 OR { 3482}
   (( segid W   and resid 483   and name HE1 ))
   (( segid W   and resid 483   and name HA ))
 ASSI { 3485}
   (( segid W   and resid 483   and name HD2 ))
   (( segid W   and resid 483   and name HA ))
      3.800     2.100     2.100 peak  3485 weight  0.10000E+01 volume  0.10715E-02 ppm1      1.485 ppm2      2.314 CV     1
 OR { 3485}
   (( segid W   and resid 483   and name HD1 ))
   (( segid W   and resid 483   and name HA ))
 ASSI { 3489}
   (( segid W   and resid 494   and name HD21)) 
   (( segid W   and resid 491   and name HA ))
      3.900     2.500     2.100 peak  3489 weight  0.10000E+01 volume  0.64138E-03 ppm1      7.565 ppm2      3.915 CV     1
 ASSI { 3493}
   (( segid W   and resid 462   and name HB1 ))
   (( segid W   and resid 491   and name HA ))
      6.000     4.300     0.000 peak  3493 weight  0.10000E+01 volume  0.11367E-03 ppm1      2.544 ppm2      3.914 CV     1
 ASSI { 3494}
   (( segid W   and resid 462   and name HG2 ))
   (( segid W   and resid 491   and name HA ))
      4.300     2.400     1.700 peak  3494 weight  0.10000E+01 volume  0.69846E-03 ppm1      1.384 ppm2      3.919 CV     1
 ASSI { 3497}
   (( segid W   and resid 459   and name HN ))
   (( segid W   and resid 491   and name HD2 ))
      4.300     2.600     1.700 peak  3497 weight  0.10000E+01 volume  0.57519E-03 ppm1      8.131 ppm2      2.748 CV     1
 OR { 3497}
   (( segid W   and resid 459   and name HN ))
   (( segid W   and resid 491   and name HD1 ))
 ASSI { 3503}
   (( segid W   and resid 458   and name HB2 ))
   (( segid W   and resid 491   and name HD2 ))
      3.100     1.700     1.700 peak  3503 weight  0.10000E+01 volume  0.21249E-02 ppm1      1.420 ppm2      2.747 CV     1
 OR { 3503}
   (( segid W   and resid 458   and name HB2 ))
   (( segid W   and resid 491   and name HD1 ))
 ASSI { 3507}
   (( segid W   and resid 492   and name HG2 ))
   (( segid W   and resid 492   and name HA ))
      2.900     1.400     1.400 peak  3507 weight  0.10000E+01 volume  0.42148E-02 ppm1      2.378 ppm2      4.394 CV     1
 ASSI { 3512}
   (( segid W   and resid 493   and name HN ))
   (( segid W   and resid 492   and name HB2 ))
      6.000     6.000     0.000 peak  3512 weight  0.10000E+01 volume  0.30468E-04 ppm1      7.611 ppm2      2.151 CV     1
 ASSI { 3540}
   (( segid W   and resid 492   and name HB1 ))
   (( segid W   and resid 493   and name HB1 ))
      2.100     2.100     3.900 peak  3540 weight  0.10000E+01 volume  0.85152E-01 ppm1      1.940 ppm2      1.925 CV     1
 ASSI { 3541}
   (( segid W   and resid 462   and name HG1 ))
   (( segid W   and resid 462   and name HB2 ))
      3.000     1.500     1.500 peak  3541 weight  0.10000E+01 volume  0.35453E-02 ppm1      1.740 ppm2      1.956 CV     1
 ASSI { 3552}
   ( segid W   and resid 496   and name HB% )
   (( segid W   and resid 496   and name HA ))
      3.300     1.800     1.800 peak  3552 weight  0.10000E+01 volume  0.18043E-02 ppm1      1.369 ppm2      4.369 CV     1
 ASSI { 3560}
   ( segid W   and resid 458   and name HD1%) 
   (( segid W   and resid 462   and name HG2 ))
      4.300     1.800     1.700 peak  3560 weight  0.10000E+01 volume  0.17806E-02 ppm1      0.859 ppm2      1.365 CV     1
 ASSI { 3563}
   (( segid W   and resid 462   and name HB1 ))
   (( segid W   and resid 462   and name HG2 ))
      2.900     1.600     1.600 peak  3563 weight  0.10000E+01 volume  0.27715E-02 ppm1      2.523 ppm2      1.365 CV     1
 ASSI { 3566}
   (( segid W   and resid 463   and name HD2 ))
   (( segid W   and resid 462   and name HG2 ))
      6.000     4.100     0.000 peak  3566 weight  0.10000E+01 volume  0.13617E-03 ppm1      3.654 ppm2      1.374 CV     1
 ASSI { 3568}
   (( segid W   and resid 461   and name HA ))
   (( segid W   and resid 462   and name HG2 ))
      5.400     2.700     0.600 peak  3568 weight  0.10000E+01 volume  0.48631E-03 ppm1      4.094 ppm2      1.355 CV     1
 ASSI { 3570}
   (( segid W   and resid 462   and name HA ))
   (( segid W   and resid 462   and name HG2 ))
      4.500     2.300     1.500 peak  3570 weight  0.10000E+01 volume  0.79210E-03 ppm1      4.768 ppm2      1.363 CV     1
 ASSI { 3572}
   (( segid W   and resid 465   and name HE3 ))
   (( segid W   and resid 462   and name HG2 ))
      5.000     3.300     1.000 peak  3572 weight  0.10000E+01 volume  0.25528E-03 ppm1      7.453 ppm2      1.375 CV     1
 ASSI { 3573}
   (( segid W   and resid 490   and name HG1 ))
   (( segid W   and resid 462   and name HG2 ))
      4.700     2.900     1.300 peak  3573 weight  0.10000E+01 volume  0.39644E-03 ppm1      0.553 ppm2      1.368 CV     1
 ASSI { 3598}
   (( segid W   and resid 462   and name HD2 ))
   (( segid W   and resid 462   and name HB1 ))
      4.400     2.600     1.600 peak  3598 weight  0.10000E+01 volume  0.57731E-03 ppm1      2.753 ppm2      2.526 CV     1
 ASSI { 3599}
   (( segid W   and resid 462   and name HD1 ))
   (( segid W   and resid 462   and name HB1 ))
      4.400     2.400     1.600 peak  3599 weight  0.10000E+01 volume  0.70066E-03 ppm1      3.310 ppm2      2.520 CV     1
 ASSI { 3614}
   (( segid W   and resid 486   and name HB2 ))
   (( segid W   and resid 490   and name HD1 ))
      4.200     1.700     1.700 peak  3614 weight  0.10000E+01 volume  0.22614E-02 ppm1      2.535 ppm2      2.731 CV     1
 OR { 3614}
   (( segid W   and resid 486   and name HB1 ))
   (( segid W   and resid 490   and name HD1 ))
 OR { 3614}
   (( segid W   and resid 486   and name HB2 ))
   (( segid W   and resid 490   and name HD2 ))
 OR { 3614}
   (( segid W   and resid 486   and name HB1 ))
   (( segid W   and resid 490   and name HD2 ))
 ASSI { 3619}
   (( segid W   and resid 483   and name HD2 ))
   (( segid W   and resid 483   and name HE1 ))
      2.400     1.200     1.200 peak  3619 weight  0.10000E+01 volume  0.70708E-02 ppm1      1.490 ppm2      2.956 CV     1
 OR { 3619}
   (( segid W   and resid 483   and name HD2 ))
   (( segid W   and resid 483   and name HE2 ))
 OR { 3619}
   (( segid W   and resid 483   and name HD1 ))
   (( segid W   and resid 483   and name HE1 ))
 OR { 3619}
   (( segid W   and resid 483   and name HD1 ))
   (( segid W   and resid 483   and name HE2 ))
 ASSI { 3642}
   (( segid W   and resid 467   and name HB2 ))
   (( segid W   and resid 476   and name HA ))
      6.000     6.000     0.000 peak  3642 weight  0.10000E+01 volume  0.35497E-04 ppm1      1.850 ppm2      5.166 CV     1
 OR { 3642}
   (( segid W   and resid 467   and name HB1 ))
   (( segid W   and resid 476   and name HA ))
 ASSI { 3647}
   (( segid W   and resid 469   and name HA ))
   ( segid W   and resid 475   and name HG2%) 
      3.200     1.700     1.700 peak  3647 weight  0.10000E+01 volume  0.24152E-02 ppm1      4.710 ppm2      0.718 CV     1
 ASSI { 3648}
   (( segid W   and resid 467   and name HG2 ))
   ( segid W   and resid 475   and name HG2%) 
      4.100     1.600     1.600 peak  3648 weight  0.10000E+01 volume  0.26307E-02 ppm1      1.797 ppm2      0.717 CV     1
 ASSI { 3654}
   (( segid B   and resid 617   and name HD22)) 
   ( segid W   and resid 485   and name HG2%) 
      6.000     6.000     0.000 peak  3654 weight  0.10000E+01 volume  0.25582E-04 ppm1      7.734 ppm2      1.206 CV     1
 ASSI { 3655}
   (( segid W   and resid 491   and name HB1 ))
   (( segid W   and resid 491   and name HG1 ))
      2.300     1.000     1.000 peak  3655 weight  0.10000E+01 volume  0.12847E-01 ppm1      1.583 ppm2      1.725 CV     1
 ASSI { 3659}
   (( segid W   and resid 465   and name HE3 ))
   (( segid W   and resid 462   and name HD1 ))
      5.300     3.100     0.700 peak  3659 weight  0.10000E+01 volume  0.32586E-03 ppm1      7.482 ppm2      3.323 CV     1
 ASSI { 3666}
   (( segid W   and resid 466   and name HB2 ))
   (( segid W   and resid 478   and name HB ))
      3.600     1.400     1.400 peak  3666 weight  0.10000E+01 volume  0.45949E-02 ppm1      2.022 ppm2      1.499 CV     1
 ASSI { 3679}
   (( segid W   and resid 470   and name HA ))
   (( segid W   and resid 468   and name HB1 ))
      4.900     3.500     1.100 peak  3679 weight  0.10000E+01 volume  0.22533E-03 ppm1      5.246 ppm2      0.615 CV     1
 ASSI { 3692}
   (( segid W   and resid 487   and name HH2 ))
   (( segid W   and resid 476   and name HA ))
      4.500     2.400     1.500 peak  3692 weight  0.10000E+01 volume  0.70448E-03 ppm1      6.823 ppm2      5.159 CV     1
 ASSI { 3698}
   (( segid W   and resid 466   and name HB2 ))
   (( segid W   and resid 466   and name HG1 ))
      2.300     1.300     1.300 peak  3698 weight  0.10000E+01 volume  0.60443E-02 ppm1      2.038 ppm2      2.427 CV     1
 ASSI { 3699}
   (( segid W   and resid 476   and name HA ))
   (( segid W   and resid 477   and name HB1 ))
      6.000     3.900     0.000 peak  3699 weight  0.10000E+01 volume  0.16288E-03 ppm1      5.171 ppm2      3.078 CV     1
 ASSI { 3700}
   (( segid W   and resid 483   and name HB1 ))
   (( segid W   and resid 483   and name HE2 ))
      5.000     2.600     1.000 peak  3700 weight  0.10000E+01 volume  0.54970E-03 ppm1      1.840 ppm2      2.950 CV     1
 OR { 3700}
   (( segid W   and resid 483   and name HB1 ))
   (( segid W   and resid 483   and name HE1 ))
 ASSI {    1}
   (( segid B   and resid 619   and name HN ))
   (( segid B   and resid 621   and name HN ))
      5.400     3.700     0.600 peak     1 weight  0.10000E+01 volume  0.18059E-03 ppm1      8.341 ppm2      6.997 CV     1
 ASSI {    8}
   (( segid B   and resid 618   and name HA ))
   (( segid B   and resid 621   and name HN ))
      3.900     2.500     2.100 peak     8 weight  0.10000E+01 volume  0.60672E-03 ppm1      3.564 ppm2      7.000 CV     1
 ASSI {    9}
   (( segid B   and resid 619   and name HB2 ))
   (( segid B   and resid 621   and name HN ))
      6.000     3.900     0.000 peak     9 weight  0.10000E+01 volume  0.15136E-03 ppm1      2.742 ppm2      6.993 CV     1
 ASSI {   12}
   (( segid B   and resid 621   and name HB2 ))
   (( segid B   and resid 621   and name HN ))
      2.500     1.500     1.500 peak    12 weight  0.10000E+01 volume  0.31522E-02 ppm1      1.328 ppm2      6.994 CV     1
 ASSI {   15}
   ( segid B   and resid 608   and name HD2%) 
   (( segid B   and resid 608   and name HN ))
      6.000     3.500     0.000 peak    15 weight  0.10000E+01 volume  0.22554E-03 ppm1      0.935 ppm2      8.280 CV     1
 ASSI {   18}
   (( segid B   and resid 608   and name HA ))
   (( segid B   and resid 608   and name HN ))
      4.000     2.800     2.000 peak    18 weight  0.10000E+01 volume  0.44943E-03 ppm1      4.603 ppm2      8.269 CV     1
 ASSI {   20}
   (( segid B   and resid 607   and name HB ))
   (( segid B   and resid 608   and name HN ))
      4.400     3.200     1.600 peak    20 weight  0.10000E+01 volume  0.27646E-03 ppm1      4.215 ppm2      8.270 CV     1
 ASSI {   21}
   (( segid B   and resid 608   and name HB1 ))
   (( segid B   and resid 608   and name HN ))
      3.000     1.600     1.600 peak    21 weight  0.10000E+01 volume  0.25277E-02 ppm1      1.588 ppm2      8.270 CV     1
 ASSI {   38}
   (( segid B   and resid 618   and name HB1 ))
   ( segid B   and resid 618   and name HE% )
      4.900     2.600     1.100 peak    38 weight  0.10000E+01 volume  0.58203E-03 ppm1      2.679 ppm2      6.530 CV     1
 ASSI {   47}
   (( segid B   and resid 609   and name HG2 ))
   (( segid B   and resid 610   and name HN ))
      5.300     5.000     0.700 peak    47 weight  0.10000E+01 volume  0.67949E-04 ppm1      1.968 ppm2      8.193 CV     1
 OR {   47}
   (( segid B   and resid 609   and name HG1 ))
   (( segid B   and resid 610   and name HN ))
 ASSI {   50}
   ( segid B   and resid 608   and name HD2%) 
   (( segid B   and resid 610   and name HN ))
      4.000     2.000     2.000 peak    50 weight  0.10000E+01 volume  0.12805E-02 ppm1      0.934 ppm2      8.191 CV     1
 ASSI {   51}
   (( segid B   and resid 610   and name HG11)) 
   (( segid B   and resid 610   and name HN ))
      4.000     2.000     2.000 peak    51 weight  0.10000E+01 volume  0.13196E-02 ppm1      1.538 ppm2      8.193 CV     1
 ASSI {   52}
   (( segid B   and resid 616   and name HG1 ))
   (( segid B   and resid 617   and name HN ))
      6.000     3.300     0.000 peak    52 weight  0.10000E+01 volume  0.25244E-03 ppm1      0.954 ppm2      8.345 CV     1
 ASSI {   59}
   (( segid B   and resid 616   and name HB2 ))
   (( segid B   and resid 617   and name HN ))
      3.900     1.800     1.800 peak    59 weight  0.10000E+01 volume  0.17541E-02 ppm1      1.089 ppm2      8.345 CV     1
 OR {   59}
   (( segid B   and resid 616   and name HG2 ))
   (( segid B   and resid 617   and name HN ))
 ASSI {   61}
   (( segid B   and resid 621   and name HB1 ))
   (( segid B   and resid 620   and name HN ))
      6.000     2.800     0.000 peak    61 weight  0.10000E+01 volume  0.42229E-03 ppm1      1.480 ppm2      7.842 CV     1
 ASSI {   69}
   (( segid B   and resid 620   and name HB1 ))
   (( segid B   and resid 619   and name HN ))
      6.000     6.000     0.000 peak    69 weight  0.10000E+01 volume  0.25352E-04 ppm1      3.944 ppm2      8.345 CV     1
 ASSI {   71}
   (( segid B   and resid 619   and name HB2 ))
   (( segid B   and resid 619   and name HN ))
      2.600     1.000     1.000 peak    71 weight  0.10000E+01 volume  0.14223E-01 ppm1      2.728 ppm2      8.343 CV     1
 ASSI {   88}
   (( segid B   and resid 612   and name HA1 ))
   (( segid B   and resid 613   and name HN ))
      2.900     1.600     1.600 peak    88 weight  0.10000E+01 volume  0.25468E-02 ppm1      4.038 ppm2      7.785 CV     1
 ASSI {   89}
   (( segid B   and resid 611   and name HB2 ))
   (( segid B   and resid 613   and name HN ))
      4.300     3.000     1.700 peak    89 weight  0.10000E+01 volume  0.36694E-03 ppm1      1.836 ppm2      7.783 CV     1
 ASSI {   90}
   ( segid B   and resid 613   and name HG2%) 
   (( segid B   and resid 613   and name HN ))
      3.900     2.200     2.100 peak    90 weight  0.10000E+01 volume  0.94062E-03 ppm1      1.342 ppm2      7.787 CV     1
 ASSI {  108}
   (( segid B   and resid 611   and name HB1 ))
   (( segid B   and resid 612   and name HN ))
      5.600     3.400     0.400 peak   108 weight  0.10000E+01 volume  0.24603E-03 ppm1      2.194 ppm2      8.455 CV     1
 ASSI {  112}
   (( segid W   and resid 483   and name HG1 ))
   ( segid B   and resid 618   and name HD% )
      4.400     3.700     1.600 peak   112 weight  0.10000E+01 volume  0.17388E-03 ppm1      0.677 ppm2      6.684 CV     1
 ASSI {  115}
   (( segid B   and resid 621   and name HN ))
   ( segid B   and resid 618   and name HD% )
      5.800     4.000     0.200 peak   115 weight  0.10000E+01 volume  0.14251E-03 ppm1      6.975 ppm2      6.679 CV     1
 ASSI {  135}
   (( segid B   and resid 614   and name HD2 ))
   (( segid B   and resid 614   and name HB1 ))
      4.200     2.000     1.800 peak   135 weight  0.10000E+01 volume  0.12094E-02 ppm1      3.743 ppm2      2.375 CV     1
 ASSI {  139}
   (( segid B   and resid 615   and name HD2 ))
   (( segid B   and resid 614   and name HB1 ))
      2.400     1.400     1.400 peak   139 weight  0.10000E+01 volume  0.45294E-02 ppm1      3.193 ppm2      2.373 CV     1
 ASSI {  145}
   (( segid B   and resid 614   and name HD2 ))
   (( segid B   and resid 614   and name HB2 ))
      3.300     1.900     1.900 peak   145 weight  0.10000E+01 volume  0.16140E-02 ppm1      3.742 ppm2      1.940 CV     1
 ASSI {  146}
   (( segid B   and resid 615   and name HD2 ))
   (( segid B   and resid 614   and name HB2 ))
      2.800     1.400     1.400 peak   146 weight  0.10000E+01 volume  0.44424E-02 ppm1      3.195 ppm2      1.939 CV     1
 ASSI {  152}
   (( segid B   and resid 615   and name HD1 ))
   (( segid B   and resid 615   and name HB2 ))
      6.000     4.600     0.000 peak   152 weight  0.10000E+01 volume  0.88415E-04 ppm1      3.053 ppm2      0.697 CV     1
 ASSI {  158}
   (( segid B   and resid 616   and name HD2 ))
   (( segid B   and resid 616   and name HG2 ))
      2.400     1.400     1.400 peak   158 weight  0.10000E+01 volume  0.40403E-02 ppm1      2.239 ppm2      1.095 CV     1
 ASSI {  165}
   (( segid B   and resid 616   and name HA ))
   (( segid B   and resid 616   and name HG1 ))
      4.400     2.100     1.600 peak   165 weight  0.10000E+01 volume  0.10814E-02 ppm1      3.858 ppm2      0.961 CV     1
 ASSI {  166}
   (( segid B   and resid 616   and name HD2 ))
   (( segid B   and resid 616   and name HG1 ))
      2.800     1.500     1.500 peak   166 weight  0.10000E+01 volume  0.33330E-02 ppm1      2.238 ppm2      0.961 CV     1
 ASSI {  169}
   (( segid B   and resid 616   and name HG2 ))
   (( segid B   and resid 616   and name HG1 ))
      1.500     0.700     0.700 peak   169 weight  0.10000E+01 volume  0.49375E-01 ppm1      1.090 ppm2      0.960 CV     1
 OR {  169}
   (( segid B   and resid 616   and name HB2 ))
   (( segid B   and resid 616   and name HG1 ))
 ASSI {  173}
   ( segid W   and resid 476   and name HE% )
   (( segid B   and resid 615   and name HB2 ))
      3.700     2.300     2.300 peak   173 weight  0.10000E+01 volume  0.77362E-03 ppm1      6.850 ppm2      0.718 CV     1
 ASSI {  178}
   (( segid B   and resid 616   and name HD1 ))
   (( segid B   and resid 615   and name HB2 ))
      2.400     1.400     1.400 peak   178 weight  0.10000E+01 volume  0.44823E-02 ppm1      1.325 ppm2      0.714 CV     1
 ASSI {  179}
   (( segid B   and resid 616   and name HB2 ))
   (( segid B   and resid 615   and name HB2 ))
      3.800     2.100     2.100 peak   179 weight  0.10000E+01 volume  0.11749E-02 ppm1      1.081 ppm2      0.704 CV     1
 ASSI {  184}
   (( segid B   and resid 616   and name HD2 ))
   (( segid B   and resid 615   and name HB1 ))
      3.200     2.300     2.300 peak   184 weight  0.10000E+01 volume  0.79353E-03 ppm1      2.234 ppm2     -0.062 CV     1
 ASSI {  188}
   ( segid W   and resid 476   and name HE% )
   (( segid B   and resid 615   and name HB1 ))
      4.400     3.300     1.600 peak   188 weight  0.10000E+01 volume  0.25909E-03 ppm1      6.842 ppm2     -0.073 CV     1
 ASSI {  191}
   (( segid W   and resid 470   and name HE1 ))
   (( segid B   and resid 616   and name HG2 ))
      5.300     3.300     0.700 peak   191 weight  0.10000E+01 volume  0.25313E-03 ppm1      7.787 ppm2      1.097 CV     1
 ASSI {  195}
   (( segid B   and resid 609   and name HA ))
   (( segid B   and resid 609   and name HG2 ))
      4.600     2.300     1.400 peak   195 weight  0.10000E+01 volume  0.81921E-03 ppm1      4.416 ppm2      1.958 CV     1
 OR {  195}
   (( segid B   and resid 609   and name HA ))
   (( segid B   and resid 609   and name HG1 ))
 ASSI {  203}
   (( segid B   and resid 611   and name HA ))
   (( segid B   and resid 608   and name HG ))
      3.200     1.900     1.900 peak   203 weight  0.10000E+01 volume  0.15373E-02 ppm1      4.343 ppm2      1.669 CV     1
 ASSI {  204}
   (( segid B   and resid 611   and name HD1 ))
   (( segid B   and resid 608   and name HG ))
      2.700     1.600     1.600 peak   204 weight  0.10000E+01 volume  0.28381E-02 ppm1      3.744 ppm2      1.665 CV     1
 ASSI {  205}
   (( segid B   and resid 611   and name HD2 ))
   (( segid B   and resid 608   and name HG ))
      3.700     1.600     1.600 peak   205 weight  0.10000E+01 volume  0.24560E-02 ppm1      3.312 ppm2      1.664 CV     1
 ASSI {  206}
   (( segid B   and resid 611   and name HB1 ))
   (( segid B   and resid 608   and name HG ))
      3.100     1.500     1.500 peak   206 weight  0.10000E+01 volume  0.31145E-02 ppm1      2.194 ppm2      1.665 CV     1
 ASSI {  208}
   (( segid B   and resid 609   and name HA ))
   (( segid B   and resid 610   and name HG12)) 
      4.800     2.800     1.200 peak   208 weight  0.10000E+01 volume  0.42316E-03 ppm1      4.420 ppm2      1.206 CV     1
 ASSI {  211}
   (( segid B   and resid 614   and name HD1 ))
   (( segid B   and resid 614   and name HG1 ))
      2.300     1.100     1.100 peak   211 weight  0.10000E+01 volume  0.84606E-02 ppm1      3.921 ppm2      2.026 CV     1
 OR {  211}
   (( segid B   and resid 614   and name HD1 ))
   (( segid B   and resid 614   and name HG2 ))
 ASSI {  212}
   (( segid B   and resid 614   and name HD2 ))
   (( segid B   and resid 614   and name HG2 ))
      2.400     1.100     1.100 peak   212 weight  0.10000E+01 volume  0.89714E-02 ppm1      3.744 ppm2      2.027 CV     1
 OR {  212}
   (( segid B   and resid 614   and name HD2 ))
   (( segid B   and resid 614   and name HG1 ))
 ASSI {  213}
   (( segid B   and resid 615   and name HD2 ))
   (( segid B   and resid 614   and name HG1 ))
      4.500     2.100     1.500 peak   213 weight  0.10000E+01 volume  0.10668E-02 ppm1      3.192 ppm2      2.025 CV     1
 OR {  213}
   (( segid B   and resid 615   and name HD2 ))
   (( segid B   and resid 614   and name HG2 ))
 ASSI {  214}
   (( segid B   and resid 615   and name HD1 ))
   (( segid B   and resid 614   and name HG1 ))
      5.900     3.400     0.100 peak   214 weight  0.10000E+01 volume  0.24283E-03 ppm1      3.057 ppm2      2.019 CV     1
 OR {  214}
   (( segid B   and resid 615   and name HD1 ))
   (( segid B   and resid 614   and name HG2 ))
 ASSI {  217}
   (( segid B   and resid 608   and name HN ))
   (( segid B   and resid 608   and name HG ))
      5.800     3.800     0.200 peak   217 weight  0.10000E+01 volume  0.16804E-03 ppm1      8.265 ppm2      1.680 CV     1
 ASSI {  219}
   (( segid B   and resid 608   and name HB2 ))
   (( segid B   and resid 608   and name HG ))
      1.700     1.700     4.300 peak   219 weight  0.10000E+01 volume  0.76157E-01 ppm1      1.548 ppm2      1.678 CV     1
 ASSI {  220}
   (( segid B   and resid 608   and name HA ))
   (( segid B   and resid 608   and name HG ))
      6.000     6.000     0.000 peak   220 weight  0.10000E+01 volume  0.21593E-04 ppm1      4.616 ppm2      1.667 CV     1
 ASSI {  222}
   (( segid B   and resid 610   and name HB ))
   (( segid B   and resid 610   and name HG11)) 
      2.800     1.200     1.200 peak   222 weight  0.10000E+01 volume  0.64271E-02 ppm1      1.814 ppm2      1.534 CV     1
 ASSI {  225}
   (( segid B   and resid 610   and name HG12)) 
   (( segid B   and resid 610   and name HG11)) 
      1.700     0.900     0.900 peak   225 weight  0.10000E+01 volume  0.19964E-01 ppm1      1.201 ppm2      1.535 CV     1
 ASSI {  226}
   ( segid B   and resid 610   and name HD1%) 
   (( segid B   and resid 610   and name HG11)) 
      2.500     1.200     1.200 peak   226 weight  0.10000E+01 volume  0.70858E-02 ppm1      0.897 ppm2      1.536 CV     1
 ASSI {  234}
   (( segid B   and resid 610   and name HB ))
   (( segid B   and resid 611   and name HD2 ))
      3.700     1.500     1.500 peak   234 weight  0.10000E+01 volume  0.32256E-02 ppm1      1.817 ppm2      3.315 CV     1
 ASSI {  235}
   (( segid B   and resid 611   and name HG2 ))
   (( segid B   and resid 611   and name HD2 ))
      2.600     1.600     1.600 peak   235 weight  0.10000E+01 volume  0.27102E-02 ppm1      1.683 ppm2      3.320 CV     1
 ASSI {  236}
   (( segid B   and resid 610   and name HA ))
   (( segid B   and resid 611   and name HD2 ))
      2.300     1.300     1.300 peak   236 weight  0.10000E+01 volume  0.56003E-02 ppm1      4.342 ppm2      3.313 CV     1
 ASSI {  237}
   (( segid B   and resid 611   and name HD1 ))
   (( segid B   and resid 611   and name HD2 ))
      1.700     0.900     0.900 peak   237 weight  0.10000E+01 volume  0.20079E-01 ppm1      3.738 ppm2      3.313 CV     1
 ASSI {  246}
   ( segid W   and resid 476   and name HE% )
   ( segid B   and resid 621   and name HD1%) 
      3.700     3.700     2.300 peak   246 weight  0.10000E+01 volume  0.15188E-02 ppm1      6.848 ppm2      0.543 CV     1
 ASSI {  255}
   (( segid B   and resid 621   and name HN ))
   ( segid B   and resid 621   and name HD1%) 
      4.100     1.800     1.800 peak   255 weight  0.10000E+01 volume  0.17230E-02 ppm1      6.989 ppm2      0.540 CV     1
 ASSI {  257}
   (( segid B   and resid 618   and name HA ))
   ( segid B   and resid 621   and name HD1%) 
      2.800     2.800     3.200 peak   257 weight  0.10000E+01 volume  0.34099E-02 ppm1      3.563 ppm2      0.543 CV     1
 ASSI {  262}
   ( segid B   and resid 621   and name HD2%) 
   ( segid B   and resid 621   and name HD1%) 
      2.200     2.200     3.800 peak   262 weight  0.10000E+01 volume  0.14619E-01 ppm1      0.724 ppm2      0.542 CV     1
 ASSI {  268}
   (( segid B   and resid 621   and name HB1 ))
   (( segid B   and resid 621   and name HG ))
      2.800     1.300     1.300 peak   268 weight  0.10000E+01 volume  0.55178E-02 ppm1      1.494 ppm2      1.650 CV     1
 ASSI {  271}
   (( segid B   and resid 615   and name HA ))
   (( segid B   and resid 615   and name HG1 ))
      4.900     3.000     1.100 peak   271 weight  0.10000E+01 volume  0.36917E-03 ppm1      3.700 ppm2      1.241 CV     1
 ASSI {  272}
   (( segid B   and resid 614   and name HB1 ))
   (( segid B   and resid 615   and name HG1 ))
      4.700     2.400     1.300 peak   272 weight  0.10000E+01 volume  0.70691E-03 ppm1      2.368 ppm2      1.256 CV     1
 ASSI {  273}
   ( segid W   and resid 476   and name HE% )
   (( segid B   and resid 615   and name HG1 ))
      5.800     4.300     0.200 peak   273 weight  0.10000E+01 volume  0.11375E-03 ppm1      6.844 ppm2      1.248 CV     1
 ASSI {  274}
   (( segid B   and resid 614   and name HA ))
   (( segid B   and resid 615   and name HG1 ))
      4.400     1.800     1.600 peak   274 weight  0.10000E+01 volume  0.19017E-02 ppm1      4.896 ppm2      1.240 CV     1
 ASSI {  280}
   (( segid B   and resid 615   and name HB1 ))
   (( segid B   and resid 615   and name HG1 ))
      3.000     1.800     1.800 peak   280 weight  0.10000E+01 volume  0.17772E-02 ppm1     -0.048 ppm2      1.241 CV     1
 ASSI {  283}
   (( segid W   and resid 486   and name HG1 ))
   (( segid B   and resid 615   and name HG2 ))
      5.500     2.800     0.500 peak   283 weight  0.10000E+01 volume  0.44775E-03 ppm1      2.396 ppm2      0.599 CV     1
 ASSI {  289}
   (( segid B   and resid 615   and name HB1 ))
   (( segid B   and resid 615   and name HG2 ))
      2.500     1.600     1.600 peak   289 weight  0.10000E+01 volume  0.24809E-02 ppm1     -0.047 ppm2      0.578 CV     1
 ASSI {  290}
   (( segid W   and resid 470   and name HB2 ))
   (( segid B   and resid 615   and name HG1 ))
      5.100     3.000     0.900 peak   290 weight  0.10000E+01 volume  0.35801E-03 ppm1      3.950 ppm2      1.239 CV     1
 ASSI {  296}
   (( segid B   and resid 615   and name HB1 ))
   (( segid B   and resid 615   and name HD1 ))
      5.400     3.500     0.600 peak   296 weight  0.10000E+01 volume  0.22492E-03 ppm1     -0.051 ppm2      3.071 CV     1
 ASSI {  305}
   (( segid B   and resid 615   and name HB2 ))
   (( segid B   and resid 615   and name HD2 ))
      3.400     2.400     2.400 peak   305 weight  0.10000E+01 volume  0.74035E-03 ppm1      0.715 ppm2      3.198 CV     1
 ASSI {  307}
   (( segid B   and resid 615   and name HB1 ))
   (( segid B   and resid 615   and name HD2 ))
      4.900     3.100     1.100 peak   307 weight  0.10000E+01 volume  0.33380E-03 ppm1     -0.037 ppm2      3.194 CV     1
 ASSI {  314}
   (( segid W   and resid 487   and name HD1 ))
   (( segid B   and resid 615   and name HD1 ))
      3.700     2.600     2.300 peak   314 weight  0.10000E+01 volume  0.57863E-03 ppm1      7.431 ppm2      3.060 CV     1
 ASSI {  321}
   (( segid B   and resid 616   and name HG2 ))
   (( segid B   and resid 616   and name HD2 ))
      2.200     1.100     1.100 peak   321 weight  0.10000E+01 volume  0.89903E-02 ppm1      1.099 ppm2      2.242 CV     1
 OR {  321}
   (( segid B   and resid 616   and name HB2 ))
   (( segid B   and resid 616   and name HD2 ))
 ASSI {  331}
   (( segid B   and resid 616   and name HG2 ))
   (( segid B   and resid 616   and name HD1 ))
      2.500     1.100     1.100 peak   331 weight  0.10000E+01 volume  0.90968E-02 ppm1      1.092 ppm2      1.341 CV     1
 OR {  331}
   (( segid B   and resid 616   and name HB2 ))
   (( segid B   and resid 616   and name HD1 ))
 ASSI {  332}
   (( segid B   and resid 616   and name HG1 ))
   (( segid B   and resid 616   and name HD1 ))
      2.200     1.200     1.200 peak   332 weight  0.10000E+01 volume  0.64561E-02 ppm1      0.957 ppm2      1.332 CV     1
 ASSI {  337}
   (( segid B   and resid 615   and name HB1 ))
   (( segid B   and resid 616   and name HD1 ))
      3.100     2.400     2.400 peak   337 weight  0.10000E+01 volume  0.67780E-03 ppm1     -0.054 ppm2      1.338 CV     1
 ASSI {  348}
   (( segid B   and resid 608   and name HB2 ))
   ( segid B   and resid 608   and name HD1%) 
      4.500     4.500     1.500 peak   348 weight  0.10000E+01 volume  0.10232E-02 ppm1      1.550 ppm2      0.911 CV     1
 ASSI {  365}
   (( segid B   and resid 616   and name HB2 ))
   ( segid B   and resid 621   and name HD2%) 
      2.800     2.800     3.200 peak   365 weight  0.10000E+01 volume  0.43289E-02 ppm1      1.100 ppm2      0.736 CV     1
 OR {  365}
   (( segid B   and resid 616   and name HG2 ))
   ( segid B   and resid 621   and name HD2%) 
 ASSI {  372}
   (( segid B   and resid 618   and name HA ))
   ( segid B   and resid 621   and name HD2%) 
      5.100     2.300     0.900 peak   372 weight  0.10000E+01 volume  0.81094E-03 ppm1      3.565 ppm2      0.729 CV     1
 ASSI {  376}
   (( segid B   and resid 608   and name HN ))
   ( segid B   and resid 607   and name HG2%) 
      5.900     4.300     0.100 peak   376 weight  0.10000E+01 volume  0.10906E-03 ppm1      8.252 ppm2      1.224 CV     1
 ASSI {  377}
   (( segid B   and resid 607   and name HA ))
   ( segid B   and resid 607   and name HG2%) 
      3.600     2.000     2.000 peak   377 weight  0.10000E+01 volume  0.12086E-02 ppm1      4.369 ppm2      1.210 CV     1
 ASSI {  388}
   (( segid B   and resid 614   and name HD2 ))
   ( segid B   and resid 613   and name HG2%) 
      3.800     1.700     1.700 peak   388 weight  0.10000E+01 volume  0.23624E-02 ppm1      3.743 ppm2      1.343 CV     1
 ASSI {  404}
   ( segid B   and resid 621   and name HD1%) 
   (( segid B   and resid 621   and name HB1 ))
      2.600     1.300     1.300 peak   404 weight  0.10000E+01 volume  0.48681E-02 ppm1      0.546 ppm2      1.480 CV     1
 ASSI {  410}
   ( segid B   and resid 621   and name HD1%) 
   (( segid B   and resid 621   and name HB2 ))
      2.600     1.400     1.400 peak   410 weight  0.10000E+01 volume  0.41262E-02 ppm1      0.547 ppm2      1.328 CV     1
 ASSI {  414}
   (( segid B   and resid 608   and name HA ))
   (( segid B   and resid 608   and name HB1 ))
      3.000     1.900     1.900 peak   414 weight  0.10000E+01 volume  0.16440E-02 ppm1      4.609 ppm2      1.579 CV     1
 ASSI {  417}
   ( segid B   and resid 608   and name HD2%) 
   (( segid B   and resid 608   and name HB1 ))
      3.700     3.700     2.300 peak   417 weight  0.10000E+01 volume  0.25007E-02 ppm1      0.929 ppm2      1.576 CV     1
 ASSI {  418}
   (( segid B   and resid 610   and name HN ))
   (( segid B   and resid 608   and name HB2 ))
      6.000     6.000     0.000 peak   418 weight  0.10000E+01 volume  0.21323E-04 ppm1      8.175 ppm2      1.539 CV     1
 ASSI {  429}
   (( segid B   and resid 611   and name HD1 ))
   ( segid B   and resid 610   and name HG2%) 
      4.900     2.300     1.100 peak   429 weight  0.10000E+01 volume  0.80912E-03 ppm1      3.740 ppm2      0.945 CV     1
 ASSI {  431}
   (( segid B   and resid 611   and name HD2 ))
   ( segid B   and resid 610   and name HG2%) 
      3.500     3.500     2.500 peak   431 weight  0.10000E+01 volume  0.21801E-02 ppm1      3.314 ppm2      0.947 CV     1
 ASSI {  435}
   (( segid B   and resid 620   and name HN ))
   (( segid B   and resid 619   and name HB2 ))
      4.000     2.600     2.000 peak   435 weight  0.10000E+01 volume  0.59168E-03 ppm1      7.839 ppm2      2.747 CV     1
 ASSI {  438}
   (( segid B   and resid 620   and name HN ))
   (( segid B   and resid 619   and name HB1 ))
      3.900     2.300     2.100 peak   438 weight  0.10000E+01 volume  0.78525E-03 ppm1      7.837 ppm2      2.714 CV     1
 ASSI {  440}
   (( segid B   and resid 619   and name HB2 ))
   (( segid B   and resid 619   and name HB1 ))
      1.300     0.500     0.900 peak   440 weight  0.10000E+01 volume  0.13023E+00 ppm1      2.733 ppm2      2.703 CV     1
 ASSI {  460}
   (( segid B   and resid 617   and name HD22)) 
   (( segid B   and resid 617   and name HB2 ))
      4.400     2.400     1.600 peak   460 weight  0.10000E+01 volume  0.75719E-03 ppm1      7.718 ppm2      2.772 CV     1
 OR {  460}
   (( segid B   and resid 617   and name HD22)) 
   (( segid B   and resid 617   and name HB1 ))
 ASSI {  469}
   (( segid B   and resid 611   and name HD1 ))
   (( segid B   and resid 610   and name HB ))
      5.300     2.900     0.700 peak   469 weight  0.10000E+01 volume  0.38080E-03 ppm1      3.735 ppm2      1.815 CV     1
 ASSI {  489}
   (( segid B   and resid 611   and name HD1 ))
   (( segid B   and resid 611   and name HB1 ))
      3.800     2.400     2.200 peak   489 weight  0.10000E+01 volume  0.68279E-03 ppm1      3.738 ppm2      2.202 CV     1
 ASSI {  490}
   (( segid B   and resid 611   and name HD2 ))
   (( segid B   and resid 611   and name HB1 ))
      5.200     3.100     0.800 peak   490 weight  0.10000E+01 volume  0.32528E-03 ppm1      3.315 ppm2      2.198 CV     1
 ASSI {  491}
   (( segid B   and resid 611   and name HB2 ))
   (( segid B   and resid 611   and name HB1 ))
      1.400     0.600     0.800 peak   491 weight  0.10000E+01 volume  0.62380E-01 ppm1      1.839 ppm2      2.199 CV     1
 ASSI {  494}
   (( segid B   and resid 611   and name HA ))
   (( segid B   and resid 611   and name HB2 ))
      3.200     1.500     1.500 peak   494 weight  0.10000E+01 volume  0.30205E-02 ppm1      4.343 ppm2      1.840 CV     1
 ASSI {  496}
   (( segid B   and resid 611   and name HD2 ))
   (( segid B   and resid 611   and name HB2 ))
      4.200     2.100     1.800 peak   496 weight  0.10000E+01 volume  0.11392E-02 ppm1      3.314 ppm2      1.839 CV     1
 ASSI {  500}
   (( segid B   and resid 609   and name HD2 ))
   (( segid B   and resid 609   and name HB1 ))
      5.200     2.900     0.800 peak   500 weight  0.10000E+01 volume  0.37771E-03 ppm1      3.826 ppm2      2.164 CV     1
 ASSI {  503}
   (( segid B   and resid 609   and name HD2 ))
   (( segid B   and resid 609   and name HB2 ))
      5.900     3.600     0.100 peak   503 weight  0.10000E+01 volume  0.20292E-03 ppm1      3.829 ppm2      1.788 CV     1
 ASSI {  533}
   (( segid B   and resid 610   and name HB ))
   (( segid B   and resid 612   and name HN ))
      4.700     2.900     1.300 peak   533 weight  0.10000E+01 volume  0.38336E-03 ppm1      1.803 ppm2      8.456 CV     1
 ASSI {  551}
   (( segid B   and resid 617   and name HB1 ))
   (( segid B   and resid 620   and name HA ))
      4.600     2.200     1.400 peak   551 weight  0.10000E+01 volume  0.89714E-03 ppm1      2.766 ppm2      4.526 CV     1
 OR {  551}
   (( segid B   and resid 617   and name HB2 ))
   (( segid B   and resid 620   and name HA ))
 ASSI {  565}
   (( segid B   and resid 614   and name HB2 ))
   (( segid B   and resid 615   and name HA ))
      4.200     2.800     1.800 peak   565 weight  0.10000E+01 volume  0.44317E-03 ppm1      1.924 ppm2      3.710 CV     1
 ASSI {  566}
   (( segid B   and resid 616   and name HG2 ))
   (( segid B   and resid 615   and name HA ))
      4.000     1.700     1.700 peak   566 weight  0.10000E+01 volume  0.23742E-02 ppm1      1.094 ppm2      3.711 CV     1
 OR {  566}
   (( segid B   and resid 616   and name HB2 ))
   (( segid B   and resid 615   and name HA ))
 ASSI {  567}
   (( segid B   and resid 616   and name HG1 ))
   (( segid B   and resid 615   and name HA ))
      5.400     2.400     0.600 peak   567 weight  0.10000E+01 volume  0.73022E-03 ppm1      0.958 ppm2      3.714 CV     1
 ASSI {  580}
   ( segid B   and resid 618   and name HE% )
   (( segid B   and resid 618   and name HA ))
      5.100     2.900     0.900 peak   580 weight  0.10000E+01 volume  0.38169E-03 ppm1      6.533 ppm2      3.560 CV     1
 ASSI {  582}
   (( segid B   and resid 617   and name HA ))
   (( segid B   and resid 618   and name HA ))
      4.000     2.200     2.000 peak   582 weight  0.10000E+01 volume  0.93847E-03 ppm1      4.397 ppm2      3.556 CV     1
 ASSI {  585}
   (( segid B   and resid 621   and name HB2 ))
   (( segid B   and resid 618   and name HA ))
      3.600     2.800     2.400 peak   585 weight  0.10000E+01 volume  0.43746E-03 ppm1      1.331 ppm2      3.572 CV     1
 ASSI {  590}
   (( segid B   and resid 617   and name HA ))
   (( segid B   and resid 616   and name HA ))
      4.400     2.400     1.600 peak   590 weight  0.10000E+01 volume  0.76789E-03 ppm1      4.389 ppm2      3.847 CV     1
 ASSI {  592}
   (( segid B   and resid 617   and name HB2 ))
   (( segid B   and resid 616   and name HA ))
      4.800     2.000     1.200 peak   592 weight  0.10000E+01 volume  0.12877E-02 ppm1      2.780 ppm2      3.850 CV     1
 OR {  592}
   (( segid B   and resid 617   and name HB1 ))
   (( segid B   and resid 616   and name HA ))
 ASSI {  593}
   (( segid B   and resid 616   and name HD2 ))
   (( segid B   and resid 616   and name HA ))
      3.600     2.200     2.200 peak   593 weight  0.10000E+01 volume  0.90772E-03 ppm1      2.228 ppm2      3.854 CV     1
 ASSI {  595}
   (( segid B   and resid 616   and name HD1 ))
   (( segid B   and resid 616   and name HA ))
      4.200     2.600     1.800 peak   595 weight  0.10000E+01 volume  0.54425E-03 ppm1      1.326 ppm2      3.841 CV     1
 ASSI {  599}
   (( segid B   and resid 615   and name HB2 ))
   (( segid B   and resid 616   and name HA ))
      4.500     3.200     1.500 peak   599 weight  0.10000E+01 volume  0.27537E-03 ppm1      0.733 ppm2      3.848 CV     1
 ASSI {  607}
   (( segid B   and resid 612   and name HN ))
   (( segid B   and resid 611   and name HA ))
      3.300     1.700     1.700 peak   607 weight  0.10000E+01 volume  0.21527E-02 ppm1      8.462 ppm2      4.343 CV     1
 ASSI {  610}
   (( segid B   and resid 611   and name HD1 ))
   (( segid B   and resid 611   and name HA ))
      4.000     2.600     2.000 peak   610 weight  0.10000E+01 volume  0.57118E-03 ppm1      3.740 ppm2      4.343 CV     1
 ASSI {  613}
   (( segid B   and resid 611   and name HG1 ))
   (( segid B   and resid 611   and name HA ))
      3.700     1.600     1.600 peak   613 weight  0.10000E+01 volume  0.24963E-02 ppm1      1.730 ppm2      4.344 CV     1
 ASSI {  620}
   (( segid B   and resid 617   and name HB1 ))
   (( segid B   and resid 620   and name HB2 ))
      3.300     2.100     2.100 peak   620 weight  0.10000E+01 volume  0.10626E-02 ppm1      2.777 ppm2      3.881 CV     1
 OR {  620}
   (( segid B   and resid 617   and name HB2 ))
   (( segid B   and resid 620   and name HB2 ))
 ASSI {  621}
   (( segid B   and resid 616   and name HB1 ))
   (( segid B   and resid 620   and name HB2 ))
      5.200     3.500     0.800 peak   621 weight  0.10000E+01 volume  0.21590E-03 ppm1      1.906 ppm2      3.875 CV     1
 ASSI {  624}
   (( segid B   and resid 617   and name HB1 ))
   (( segid B   and resid 620   and name HB1 ))
      4.600     2.200     1.400 peak   624 weight  0.10000E+01 volume  0.94449E-03 ppm1      2.763 ppm2      3.948 CV     1
 OR {  624}
   (( segid B   and resid 617   and name HB2 ))
   (( segid B   and resid 620   and name HB1 ))
 ASSI {  627}
   (( segid B   and resid 621   and name HN ))
   (( segid B   and resid 620   and name HB1 ))
      4.500     3.300     1.500 peak   627 weight  0.10000E+01 volume  0.26518E-03 ppm1      6.998 ppm2      3.957 CV     1
 ASSI {  633}
   (( segid B   and resid 613   and name HA ))
   (( segid B   and resid 612   and name HA1 ))
      4.000     2.300     2.000 peak   633 weight  0.10000E+01 volume  0.86231E-03 ppm1      4.730 ppm2      4.041 CV     1
 ASSI {  652}
   (( segid B   and resid 614   and name HA ))
   (( segid B   and resid 614   and name HD1 ))
      3.800     2.500     2.200 peak   652 weight  0.10000E+01 volume  0.63949E-03 ppm1      4.913 ppm2      3.920 CV     1
 ASSI {  654}
   (( segid B   and resid 613   and name HB ))
   (( segid B   and resid 614   and name HD1 ))
      3.900     1.700     1.700 peak   654 weight  0.10000E+01 volume  0.20307E-02 ppm1      4.300 ppm2      3.924 CV     1
 ASSI {  659}
   (( segid B   and resid 610   and name HA ))
   (( segid B   and resid 611   and name HD1 ))
      2.600     1.100     1.100 peak   659 weight  0.10000E+01 volume  0.10494E-01 ppm1      4.340 ppm2      3.742 CV     1
 ASSI {  671}
   (( segid B   and resid 611   and name HG1 ))
   (( segid B   and resid 611   and name HD1 ))
      2.400     1.300     1.300 peak   671 weight  0.10000E+01 volume  0.55629E-02 ppm1      1.709 ppm2      3.742 CV     1
 ASSI {  683}
   (( segid B   and resid 609   and name HB1 ))
   (( segid B   and resid 609   and name HD1 ))
      4.100     2.900     1.900 peak   683 weight  0.10000E+01 volume  0.38227E-03 ppm1      2.179 ppm2      3.592 CV     1
 ASSI {  685}
   (( segid B   and resid 609   and name HB2 ))
   (( segid B   and resid 609   and name HD1 ))
      4.600     2.200     1.400 peak   685 weight  0.10000E+01 volume  0.92086E-03 ppm1      1.792 ppm2      3.597 CV     1
 ASSI {  696}
   (( segid B   and resid 616   and name HB2 ))
   (( segid B   and resid 617   and name HA ))
      3.800     2.400     2.200 peak   696 weight  0.10000E+01 volume  0.73084E-03 ppm1      1.079 ppm2      4.386 CV     1
 ASSI {  701}
   (( segid B   and resid 616   and name HD2 ))
   (( segid B   and resid 617   and name HN ))
      6.000     4.400     0.000 peak   701 weight  0.10000E+01 volume  0.10361E-03 ppm1      2.253 ppm2      8.340 CV     1
 ASSI {  702}
   (( segid B   and resid 621   and name HG ))
   (( segid B   and resid 619   and name HN ))
      5.000     3.200     1.000 peak   702 weight  0.10000E+01 volume  0.27358E-03 ppm1      1.633 ppm2      8.340 CV     1
 ASSI {  717}
   (( segid B   and resid 611   and name HG2 ))
   (( segid B   and resid 610   and name HA ))
      4.600     2.200     1.400 peak   717 weight  0.10000E+01 volume  0.98751E-03 ppm1      1.683 ppm2      4.343 CV     1
 ASSI {  718}
   (( segid B   and resid 610   and name HG11)) 
   (( segid B   and resid 610   and name HA ))
      3.400     2.400     2.400 peak   718 weight  0.10000E+01 volume  0.74382E-03 ppm1      1.545 ppm2      4.350 CV     1
 ASSI {  719}
   (( segid B   and resid 610   and name HG12)) 
   (( segid B   and resid 610   and name HA ))
      3.700     2.200     2.200 peak   719 weight  0.10000E+01 volume  0.92844E-03 ppm1      1.200 ppm2      4.341 CV     1
 ASSI {  725}
   (( segid B   and resid 615   and name HG1 ))
   (( segid B   and resid 614   and name HB2 ))
      6.000     4.500     0.000 peak   725 weight  0.10000E+01 volume  0.98197E-04 ppm1      1.241 ppm2      1.935 CV     1
 ASSI {  727}
   (( segid B   and resid 615   and name HA ))
   (( segid B   and resid 616   and name HG2 ))
      5.400     3.000     0.600 peak   727 weight  0.10000E+01 volume  0.36319E-03 ppm1      3.708 ppm2      1.091 CV     1
 ASSI {  728}
   (( segid B   and resid 617   and name HN ))
   (( segid B   and resid 616   and name HG2 ))
      6.000     4.300     0.000 peak   728 weight  0.10000E+01 volume  0.11547E-03 ppm1      8.346 ppm2      1.088 CV     1
 ASSI {  729}
   (( segid W   and resid 470   and name HE1 ))
   (( segid B   and resid 616   and name HG1 ))
      6.000     3.200     0.000 peak   729 weight  0.10000E+01 volume  0.29010E-03 ppm1      7.797 ppm2      0.957 CV     1
 ASSI {  738}
   (( segid B   and resid 615   and name HD2 ))
   (( segid B   and resid 616   and name HD1 ))
      6.000     3.800     0.000 peak   738 weight  0.10000E+01 volume  0.16821E-03 ppm1      3.219 ppm2      1.335 CV     1
 ASSI {  744}
   (( segid B   and resid 616   and name HB2 ))
   (( segid B   and resid 620   and name HN ))
      6.000     4.600     0.000 peak   744 weight  0.10000E+01 volume  0.88627E-04 ppm1      1.097 ppm2      7.833 CV     1
 OR {  744}
   (( segid B   and resid 616   and name HG2 ))
   (( segid B   and resid 620   and name HN ))
 ASSI {  746}
   (( segid B   and resid 620   and name HN ))
   (( segid B   and resid 621   and name HB2 ))
      6.000     5.100     0.000 peak   746 weight  0.10000E+01 volume  0.66503E-04 ppm1      7.828 ppm2      1.341 CV     1
 ASSI {  749}
   (( segid W   and resid 484   and name HA ))
   (( segid B   and resid 618   and name HN ))
      4.800     3.900     1.200 peak   749 weight  0.10000E+01 volume  0.15110E-03 ppm1      4.864 ppm2      9.142 CV     1
 ASSI {  754}
   (( segid B   and resid 620   and name HN ))
   (( segid B   and resid 617   and name HN ))
      6.000     5.500     0.000 peak   754 weight  0.10000E+01 volume  0.52459E-04 ppm1      7.816 ppm2      8.344 CV     1
 ASSI {  759}
   (( segid B   and resid 620   and name HN ))
   (( segid B   and resid 621   and name HA ))
      5.500     3.200     0.500 peak   759 weight  0.10000E+01 volume  0.28923E-03 ppm1      7.840 ppm2      3.980 CV     1
 ASSI {  761}
   (( segid B   and resid 620   and name HA ))
   (( segid B   and resid 621   and name HA ))
      4.500     3.000     1.500 peak   761 weight  0.10000E+01 volume  0.35428E-03 ppm1      4.520 ppm2      3.978 CV     1
 ASSI {  764}
   (( segid B   and resid 616   and name HB1 ))
   (( segid B   and resid 620   and name HB1 ))
      4.100     3.400     1.900 peak   764 weight  0.10000E+01 volume  0.23730E-03 ppm1      1.901 ppm2      3.932 CV     1
 ASSI {  770}
   (( segid B   and resid 619   and name HN ))
   (( segid B   and resid 618   and name HB1 ))
      2.400     1.400     1.400 peak   770 weight  0.10000E+01 volume  0.45262E-02 ppm1      8.345 ppm2      2.682 CV     1
 ASSI {  782}
   (( segid B   and resid 616   and name HB2 ))
   (( segid B   and resid 617   and name HB2 ))
      5.400     3.000     0.600 peak   782 weight  0.10000E+01 volume  0.36103E-03 ppm1      1.069 ppm2      2.771 CV     1
 OR {  782}
   (( segid B   and resid 616   and name HB2 ))
   (( segid B   and resid 617   and name HB1 ))
 ASSI {  783}
   ( segid B   and resid 621   and name HD1%) 
   (( segid B   and resid 616   and name HB2 ))
      4.700     3.500     1.300 peak   783 weight  0.10000E+01 volume  0.22314E-03 ppm1      0.555 ppm2      1.084 CV     1
 ASSI {  793}
   (( segid W   and resid 487   and name HD1 ))
   (( segid B   and resid 614   and name HA ))
      3.100     1.700     1.700 peak   793 weight  0.10000E+01 volume  0.20210E-02 ppm1      7.435 ppm2      4.901 CV     1
 ASSI {  800}
   (( segid B   and resid 613   and name HB ))
   (( segid B   and resid 614   and name HB2 ))
      6.000     6.000     0.000 peak   800 weight  0.10000E+01 volume  0.35123E-04 ppm1      4.292 ppm2      1.944 CV     1
 ASSI {  803}
   ( segid B   and resid 613   and name HG2%) 
   (( segid B   and resid 614   and name HG2 ))
      6.000     3.500     0.000 peak   803 weight  0.10000E+01 volume  0.21843E-03 ppm1      1.333 ppm2      2.027 CV     1
 OR {  803}
   ( segid B   and resid 613   and name HG2%) 
   (( segid B   and resid 614   and name HG1 ))
 ASSI {  809}
   (( segid B   and resid 607   and name HA ))
   (( segid B   and resid 607   and name HB ))
      3.400     1.900     1.900 peak   809 weight  0.10000E+01 volume  0.15169E-02 ppm1      4.360 ppm2      4.209 CV     1
 ASSI {  811}
   (( segid B   and resid 611   and name HD2 ))
   (( segid B   and resid 612   and name HA1 ))
      5.400     3.100     0.600 peak   811 weight  0.10000E+01 volume  0.32408E-03 ppm1      3.313 ppm2      4.047 CV     1
 ASSI {  824}
   (( segid B   and resid 616   and name HB1 ))
   (( segid B   and resid 617   and name HB2 ))
      6.000     4.700     0.000 peak   824 weight  0.10000E+01 volume  0.86202E-04 ppm1      1.890 ppm2      2.774 CV     1
 OR {  824}
   (( segid B   and resid 616   and name HB1 ))
   (( segid B   and resid 617   and name HB1 ))
 ASSI {  826}
   (( segid B   and resid 616   and name HG1 ))
   (( segid B   and resid 615   and name HB1 ))
      6.000     4.100     0.000 peak   826 weight  0.10000E+01 volume  0.12768E-03 ppm1      0.977 ppm2     -0.045 CV     1
 ASSI {  827}
   (( segid B   and resid 616   and name HB2 ))
   (( segid B   and resid 615   and name HB1 ))
      5.900     3.500     0.100 peak   827 weight  0.10000E+01 volume  0.20793E-03 ppm1      1.083 ppm2     -0.041 CV     1
 ASSI {  829}
   (( segid B   and resid 611   and name HG1 ))
   (( segid B   and resid 611   and name HB1 ))
      2.300     1.300     1.300 peak   829 weight  0.10000E+01 volume  0.57579E-02 ppm1      1.718 ppm2      2.200 CV     1
 ASSI {  830}
   (( segid B   and resid 611   and name HD1 ))
   (( segid B   and resid 610   and name HN ))
      4.700     3.600     1.300 peak   830 weight  0.10000E+01 volume  0.20418E-03 ppm1      3.749 ppm2      8.193 CV     1
 ASSI {  831}
   (( segid B   and resid 609   and name HD1 ))
   (( segid B   and resid 610   and name HN ))
      6.000     4.800     0.000 peak   831 weight  0.10000E+01 volume  0.77687E-04 ppm1      3.608 ppm2      8.197 CV     1
 ASSI {  838}
   (( segid B   and resid 609   and name HD1 ))
   (( segid B   and resid 608   and name HA ))
      2.900     1.200     1.200 peak   838 weight  0.10000E+01 volume  0.75399E-02 ppm1      3.607 ppm2      4.625 CV     1
 ASSI {  841}
   (( segid B   and resid 609   and name HD2 ))
   (( segid B   and resid 608   and name HB1 ))
      6.000     4.200     0.000 peak   841 weight  0.10000E+01 volume  0.12066E-03 ppm1      3.836 ppm2      1.595 CV     1
 ASSI {  850}
   (( segid B   and resid 621   and name HB1 ))
   (( segid B   and resid 618   and name HA ))
      5.300     2.700     0.700 peak   850 weight  0.10000E+01 volume  0.50454E-03 ppm1      1.489 ppm2      3.569 CV     1
 ASSI {  862}
   (( segid W   and resid 470   and name HE1 ))
   (( segid B   and resid 616   and name HD2 ))
      4.200     4.200     1.800 peak   862 weight  0.10000E+01 volume  0.11319E-03 ppm1      7.791 ppm2      2.248 CV     1
 ASSI {  863}
   (( segid W   and resid 487   and name HZ2 ))
   (( segid B   and resid 616   and name HD1 ))
      6.000     3.600     0.000 peak   863 weight  0.10000E+01 volume  0.20115E-03 ppm1      7.093 ppm2      1.336 CV     1
 ASSI {  868}
   (( segid B   and resid 616   and name HG1 ))
   (( segid B   and resid 616   and name HB2 ))
      2.200     1.100     1.100 peak   868 weight  0.10000E+01 volume  0.92552E-02 ppm1      0.969 ppm2      1.082 CV     1
 ASSI {  873}
   (( segid W   and resid 487   and name HD1 ))
   (( segid B   and resid 615   and name HG2 ))
      6.000     5.900     0.000 peak   873 weight  0.10000E+01 volume  0.41786E-04 ppm1      7.421 ppm2      0.582 CV     1
 ASSI {  874}
   ( segid W   and resid 476   and name HE% )
   (( segid B   and resid 615   and name HG2 ))
      6.000     3.900     0.000 peak   874 weight  0.10000E+01 volume  0.15437E-03 ppm1      6.852 ppm2      0.582 CV     1
 ASSI {  877}
   (( segid B   and resid 614   and name HB2 ))
   (( segid B   and resid 615   and name HG2 ))
      6.000     4.700     0.000 peak   877 weight  0.10000E+01 volume  0.84686E-04 ppm1      1.939 ppm2      0.585 CV     1
 ASSI {  881}
   (( segid B   and resid 616   and name HG2 ))
   (( segid B   and resid 621   and name HA ))
      6.000     4.500     0.000 peak   881 weight  0.10000E+01 volume  0.95518E-04 ppm1      1.107 ppm2      3.982 CV     1
 ASSI {  883}
   (( segid B   and resid 618   and name HA ))
   (( segid B   and resid 617   and name HB1 ))
      6.000     5.500     0.000 peak   883 weight  0.10000E+01 volume  0.52326E-04 ppm1      3.554 ppm2      2.767 CV     1
 OR {  883}
   (( segid B   and resid 618   and name HA ))
   (( segid B   and resid 617   and name HB2 ))
 ASSI {  885}
   (( segid B   and resid 609   and name HB1 ))
   (( segid B   and resid 610   and name HN ))
      4.900     2.500     1.100 peak   885 weight  0.10000E+01 volume  0.61173E-03 ppm1      2.163 ppm2      8.187 CV     1
 ASSI {  892}
   (( segid W   and resid 483   and name HG1 ))
   ( segid B   and resid 618   and name HE% )
      3.800     3.800     2.200 peak   892 weight  0.10000E+01 volume  0.14145E-02 ppm1      0.680 ppm2      6.534 CV     1
 OR {  892}
   (( segid W   and resid 483   and name HB2 ))
   ( segid B   and resid 618   and name HE% )
 ASSI {    1}
   ( segid W   and resid 461   and name HD2%) 
   ( segid W   and resid 461   and name HD1%) 
      2.800     1.600     1.600 peak     1 weight  0.10000E+01 volume  0.73204E-03 ppm1      0.808 ppm2      1.138 CV     1
 ASSI {   34}
   (( segid W   and resid 487   and name HH2 ))
   (( segid W   and resid 470   and name HA ))
      4.100     1.700     1.700 peak    34 weight  0.10000E+01 volume  0.60851E-03 ppm1      6.791 ppm2      5.257 CV     1
 ASSI {   50}
   (( segid B   and resid 618   and name HB1 ))
   (( segid W   and resid 483   and name HD2 ))
      5.100     2.100     0.900 peak    50 weight  0.10000E+01 volume  0.26693E-03 ppm1      2.686 ppm2      1.476 CV     1
 OR {   50}
   (( segid B   and resid 618   and name HB1 ))
   (( segid W   and resid 483   and name HD1 ))
 ASSI {   56}
   (( segid W   and resid 485   and name HB ))
   (( segid W   and resid 478   and name HG12)) 
      4.100     1.800     1.800 peak    56 weight  0.10000E+01 volume  0.42701E-03 ppm1      4.041 ppm2      0.759 CV     1
 ASSI {   72}
   (( segid W   and resid 461   and name HA ))
   ( segid W   and resid 461   and name HD2%) 
      3.500     2.700     2.500 peak    72 weight  0.10000E+01 volume  0.13269E-03 ppm1      4.115 ppm2      0.804 CV     1
 ASSI {   90}
   (( segid W   and resid 458   and name HB1 ))
   ( segid W   and resid 458   and name HD2%) 
      3.200     1.900     1.900 peak    90 weight  0.10000E+01 volume  0.41694E-03 ppm1      1.629 ppm2      0.766 CV     1
 ASSI {   91}
   (( segid W   and resid 458   and name HA ))
   ( segid W   and resid 458   and name HD2%) 
      3.200     1.700     1.700 peak    91 weight  0.10000E+01 volume  0.55663E-03 ppm1      4.239 ppm2      0.774 CV     1
 ASSI {  124}
   (( segid W   and resid 466   and name HA ))
   ( segid W   and resid 478   and name HG2%) 
      4.700     2.100     1.300 peak   124 weight  0.10000E+01 volume  0.27358E-03 ppm1      4.807 ppm2      0.257 CV     1
 ASSI {  130}
   (( segid W   and resid 477   and name HA ))
   ( segid W   and resid 478   and name HG2%) 
      4.200     1.900     1.800 peak   130 weight  0.10000E+01 volume  0.37352E-03 ppm1      5.290 ppm2      0.265 CV     1
 ASSI {  131}
   (( segid W   and resid 482   and name HA ))
   ( segid W   and resid 482   and name HG2%) 
      3.400     1.900     1.900 peak   131 weight  0.10000E+01 volume  0.42318E-03 ppm1      4.367 ppm2      0.727 CV     1
 ASSI {  140}
   (( segid W   and resid 482   and name HG11)) 
   (( segid W   and resid 482   and name HB ))
      2.800     1.300     1.300 peak   140 weight  0.10000E+01 volume  0.14148E-02 ppm1      0.748 ppm2      1.918 CV     1
 OR {  140}
   ( segid W   and resid 482   and name HD1%) 
   (( segid W   and resid 482   and name HB ))
 ASSI {  152}
   (( segid B   and resid 618   and name HB2 ))
   (( segid W   and resid 483   and name HA ))
      2.700     1.200     1.200 peak   152 weight  0.10000E+01 volume  0.15972E-02 ppm1      2.846 ppm2      2.310 CV     1
 ASSI {  157}
   (( segid W   and resid 462   and name HB1 ))
   (( segid W   and resid 463   and name HB1 ))
      5.300     2.000     0.700 peak   157 weight  0.10000E+01 volume  0.33741E-03 ppm1      2.528 ppm2      2.426 CV     1
 ASSI {  166}
   (( segid W   and resid 452   and name HD2 ))
   (( segid W   and resid 452   and name HB2 ))
      4.300     1.700     1.700 peak   166 weight  0.10000E+01 volume  0.53869E-03 ppm1      3.884 ppm2      1.932 CV     1
 ASSI {  168}
   (( segid W   and resid 465   and name HZ3 ))
   (( segid W   and resid 478   and name HG11)) 
      4.200     1.900     1.800 peak   168 weight  0.10000E+01 volume  0.37289E-03 ppm1      6.787 ppm2      1.327 CV     1
 ASSI {  174}
   (( segid W   and resid 475   and name HB ))
   (( segid W   and resid 474   and name HA ))
      4.700     1.900     1.300 peak   174 weight  0.10000E+01 volume  0.39284E-03 ppm1      1.941 ppm2      4.448 CV     1
 ASSI {  185}
   ( segid W   and resid 477   and name HE% )
   ( segid W   and resid 477   and name HD% )
      2.300     1.100     1.100 peak   185 weight  0.10000E+01 volume  0.21958E-02 ppm1      7.363 ppm2      7.091 CV     1
 ASSI {  198}
   (( segid W   and resid 458   and name HG ))
   ( segid W   and resid 458   and name HD1%) 
      2.800     1.400     1.400 peak   198 weight  0.10000E+01 volume  0.95389E-03 ppm1      1.604 ppm2      0.855 CV     1
 OR {  198}
   (( segid W   and resid 458   and name HB1 ))
   ( segid W   and resid 458   and name HD1%) 
 ASSI {  205}
   (( segid B   and resid 616   and name HB2 ))
   (( segid B   and resid 621   and name HB1 ))
      5.500     2.400     0.500 peak   205 weight  0.10000E+01 volume  0.19190E-03 ppm1      1.099 ppm2      1.475 CV     1
 ASSI {  213}
   ( segid W   and resid 476   and name HE% )
   (( segid B   and resid 621   and name HG ))
      3.700     3.700     2.300 peak   213 weight  0.10000E+01 volume  0.10549E-02 ppm1      6.868 ppm2      1.656 CV     1
 ASSI {  214}
   (( segid W   and resid 468   and name HB1 ))
   (( segid B   and resid 621   and name HG ))
      4.100     4.100     1.900 peak   214 weight  0.10000E+01 volume  0.82781E-03 ppm1      0.601 ppm2      1.666 CV     1
 ASSI {  220}
   (( segid B   and resid 621   and name HA ))
   ( segid B   and resid 621   and name HD1%) 
      4.300     1.600     1.600 peak   220 weight  0.10000E+01 volume  0.68731E-03 ppm1      3.956 ppm2      0.546 CV     1
 ASSI {  223}
   (( segid B   and resid 616   and name HB2 ))
   ( segid B   and resid 621   and name HD1%) 
      2.200     2.200     3.800 peak   223 weight  0.10000E+01 volume  0.10499E-01 ppm1      1.096 ppm2      0.552 CV     1
 OR {  223}
   (( segid B   and resid 616   and name HG2 ))
   ( segid B   and resid 621   and name HD1%) 
 ASSI {  250}
   (( segid B   and resid 616   and name HB2 ))
   (( segid B   and resid 618   and name HA ))
      2.300     2.300     3.700 peak   250 weight  0.10000E+01 volume  0.14769E-01 ppm1      1.089 ppm2      3.565 CV     1
 OR {  250}
   (( segid B   and resid 616   and name HG2 ))
   (( segid B   and resid 618   and name HA ))
 ASSI {  251}
   (( segid W   and resid 483   and name HG1 ))
   (( segid B   and resid 618   and name HA ))
      4.300     4.300     1.700 peak   251 weight  0.10000E+01 volume  0.20363E-02 ppm1      0.680 ppm2      3.560 CV     1
 OR {  251}
   (( segid W   and resid 483   and name HB2 ))
   (( segid B   and resid 618   and name HA ))
 ASSI {  271}
   (( segid W   and resid 483   and name HG1 ))
   ( segid B   and resid 618   and name HD% )
      2.400     2.400     3.600 peak   271 weight  0.10000E+01 volume  0.31367E-02 ppm1      0.692 ppm2      6.688 CV     1
 OR {  271}
   (( segid W   and resid 483   and name HB2 ))
   ( segid B   and resid 618   and name HD% )
 ASSI {  272}
   (( segid B   and resid 620   and name HB1 ))
   (( segid B   and resid 617   and name HA ))
      4.700     2.100     1.300 peak   272 weight  0.10000E+01 volume  0.27827E-03 ppm1      3.938 ppm2      4.391 CV     1
 ASSI {  287}
   (( segid B   and resid 616   and name HB2 ))
   (( segid B   and resid 616   and name HB1 ))
      2.700     2.100     2.100 peak   287 weight  0.10000E+01 volume  0.29071E-03 ppm1      1.103 ppm2      1.889 CV     1
 OR {  287}
   (( segid B   and resid 616   and name HG2 ))
   (( segid B   and resid 616   and name HB1 ))
 ASSI {  295}
   ( segid W   and resid 476   and name HE% )
   (( segid B   and resid 616   and name HD2 ))
      1.900     1.900     4.100 peak   295 weight  0.10000E+01 volume  0.47067E-02 ppm1      6.864 ppm2      1.334 CV     1
 ASSI {  296}
   (( segid B   and resid 615   and name HD1 ))
   (( segid B   and resid 616   and name HD2 ))
      5.300     2.100     0.700 peak   296 weight  0.10000E+01 volume  0.28867E-03 ppm1      3.078 ppm2      1.345 CV     1
 ASSI {  300}
   (( segid W   and resid 470   and name HB2 ))
   (( segid B   and resid 616   and name HD1 ))
      3.400     3.400     2.600 peak   300 weight  0.10000E+01 volume  0.67921E-03 ppm1      3.942 ppm2      2.247 CV     1
 ASSI {  309}
   (( segid W   and resid 470   and name HB2 ))
   (( segid B   and resid 615   and name HB1 ))
      3.600     2.400     2.400 peak   309 weight  0.10000E+01 volume  0.17693E-03 ppm1      3.952 ppm2     -0.067 CV     1
 ASSI {  310}
   (( segid B   and resid 616   and name HG2 ))
   (( segid B   and resid 615   and name HB1 ))
      4.700     1.900     1.300 peak   310 weight  0.10000E+01 volume  0.38032E-03 ppm1      1.113 ppm2     -0.048 CV     1
 ASSI {  315}
   (( segid B   and resid 616   and name HB2 ))
   (( segid B   and resid 615   and name HB2 ))
      4.400     1.800     1.600 peak   315 weight  0.10000E+01 volume  0.47696E-03 ppm1      1.087 ppm2      0.722 CV     1
 OR {  315}
   (( segid B   and resid 616   and name HG2 ))
   (( segid B   and resid 615   and name HB2 ))
 ASSI {  318}
   (( segid W   and resid 487   and name HZ3 ))
   (( segid B   and resid 615   and name HG2 ))
      3.900     2.200     2.100 peak   318 weight  0.10000E+01 volume  0.23033E-03 ppm1      6.888 ppm2      0.574 CV     1
 ASSI {  320}
   (( segid B   and resid 614   and name HA ))
   (( segid B   and resid 615   and name HG2 ))
      3.000     3.000     3.000 peak   320 weight  0.10000E+01 volume  0.43420E-02 ppm1      4.899 ppm2      0.574 CV     1
 ASSI {  321}
   (( segid W   and resid 470   and name HB2 ))
   (( segid B   and resid 615   and name HG2 ))
      3.000     3.000     3.000 peak   321 weight  0.10000E+01 volume  0.14118E-02 ppm1      3.960 ppm2      0.579 CV     1
 ASSI {  332}
   (( segid B   and resid 614   and name HA ))
   (( segid B   and resid 615   and name HD1 ))
      1.900     1.000     1.000 peak   332 weight  0.10000E+01 volume  0.28427E-02 ppm1      4.899 ppm2      3.061 CV     1
 ASSI {  352}
   (( segid B   and resid 608   and name HN ))
   (( segid B   and resid 609   and name HA ))
      3.100     3.100     2.900 peak   352 weight  0.10000E+01 volume  0.13718E-02 ppm1      8.279 ppm2      4.415 CV     1
 ASSI {  373}
   (( segid B   and resid 614   and name HA ))
   (( segid B   and resid 614   and name HD2 ))
      3.300     1.400     1.400 peak   373 weight  0.10000E+01 volume  0.98174E-03 ppm1      4.897 ppm2      3.753 CV     1
 ASSI {  391}
   (( segid B   and resid 614   and name HA ))
   (( segid B   and resid 615   and name HA ))
      3.500     1.700     1.700 peak   391 weight  0.10000E+01 volume  0.56506E-03 ppm1      4.918 ppm2      3.723 CV     1
 ASSI {  400}
   (( segid W   and resid 470   and name HB2 ))
   (( segid B   and resid 615   and name HA ))
      5.900     3.700     0.100 peak   400 weight  0.10000E+01 volume  0.47336E-04 ppm1      3.957 ppm2      3.713 CV     1
 ASSI {  405}
   (( segid W   and resid 487   and name HD1 ))
   (( segid B   and resid 615   and name HG1 ))
      3.900     1.500     1.500 peak   405 weight  0.10000E+01 volume  0.91717E-03 ppm1      7.439 ppm2      1.254 CV     1
 ASSI {  408}
   (( segid W   and resid 470   and name HE1 ))
   (( segid B   and resid 616   and name HB1 ))
      4.700     1.500     1.300 peak   408 weight  0.10000E+01 volume  0.91052E-03 ppm1      7.803 ppm2      1.896 CV     1
 ASSI {  409}
   (( segid B   and resid 620   and name HN ))
   (( segid B   and resid 616   and name HB2 ))
      3.900     3.900     2.100 peak   409 weight  0.10000E+01 volume  0.63821E-03 ppm1      7.824 ppm2      1.083 CV     1
 ASSI {  416}
   (( segid W   and resid 468   and name HG2 ))
   ( segid B   and resid 621   and name HD1%) 
      2.000     2.000     4.000 peak   416 weight  0.10000E+01 volume  0.54345E-02 ppm1      1.448 ppm2      0.551 CV     1
 ASSI {  434}
   (( segid W   and resid 470   and name HE1 ))
   (( segid B   and resid 616   and name HD1 ))
      3.000     2.600     2.600 peak   434 weight  0.10000E+01 volume  0.14952E-03 ppm1      7.812 ppm2      2.251 CV     1
 ASSI {  439}
   (( segid B   and resid 614   and name HA ))
   (( segid B   and resid 615   and name HB2 ))
      4.400     1.600     1.600 peak   439 weight  0.10000E+01 volume  0.69970E-03 ppm1      4.933 ppm2      0.722 CV     1
 ASSI {  444}
   (( segid W   and resid 468   and name HD2 ))
   (( segid B   and resid 621   and name HG ))
      5.900     2.600     0.100 peak   444 weight  0.10000E+01 volume  0.13479E-03 ppm1      2.906 ppm2      1.659 CV     1

! ambiguous NOEs assigned by ARIA1.0 
 ASSI {   99}
   (( segid W   and resid 457   and name HB1 ))
   (( segid W   and resid 458   and name HN ))
      4.200     1.300     1.300 peak    99 weight  0.10000E+01 volume  0.30505E-03 ppm1      2.748 ppm2      8.220 CV     1
 OR {   99}
   (( segid W   and resid 491   and name HD2 ))
   (( segid W   and resid 458   and name HN ))
 ASSI {  108}
   (( segid W   and resid 457   and name HB1 ))
   (( segid W   and resid 459   and name HN ))
      3.800     1.200     1.200 peak   108 weight  0.10000E+01 volume  0.47232E-03 ppm1      2.748 ppm2      8.145 CV     1
 OR {  108}
   (( segid W   and resid 491   and name HD2 ))
   (( segid W   and resid 459   and name HN ))
 ASSI {  174}
   (( segid W   and resid 474   and name HN ))
   (( segid W   and resid 470   and name HN ))
      3.700     1.200     1.200 peak   174 weight  0.10000E+01 volume  0.52267E-03 ppm1      8.225 ppm2      9.806 CV     1
 OR {  174}
   (( segid W   and resid 469   and name HN ))
   (( segid W   and resid 470   and name HN ))
 ASSI {  180}
   (( segid W   and resid 470   and name HB2 ))
   (( segid W   and resid 470   and name HN ))
      2.600     0.900     0.900 peak   180 weight  0.10000E+01 volume  0.31661E-02 ppm1      3.954 ppm2      9.811 CV     1
 OR {  180}
   (( segid W   and resid 469   and name HB ))
   (( segid W   and resid 470   and name HN ))
 ASSI {  206}
   (( segid W   and resid 465   and name HH2 ))
   (( segid W   and resid 486   and name HN ))
      5.100     1.400     0.900 peak   206 weight  0.10000E+01 volume  0.18662E-03 ppm1      7.106 ppm2      9.280 CV     1
 OR {  206}
   (( segid W   and resid 486   and name HE22)) 
   (( segid W   and resid 486   and name HN ))
 ASSI {  213}
   (( segid B   and resid 615   and name HD1 ))
   (( segid W   and resid 486   and name HN ))
      3.700     1.100     1.100 peak   213 weight  0.10000E+01 volume  0.84133E-03 ppm1      3.068 ppm2      9.284 CV     1
 OR {  213}
   (( segid W   and resid 477   and name HB1 ))
   (( segid W   and resid 486   and name HN ))
 ASSI {  230}
   (( segid W   and resid 488   and name HB1 ))
   (( segid W   and resid 487   and name HN ))
      4.900     1.500     1.100 peak   230 weight  0.10000E+01 volume  0.14694E-03 ppm1      2.035 ppm2      9.092 CV     1
 OR {  230}
   (( segid B   and resid 614   and name HG2 ))
   (( segid W   and resid 487   and name HN ))
 ASSI {  233}
   (( segid W   and resid 468   and name HN ))
   (( segid W   and resid 476   and name HN ))
      3.300     1.100     1.100 peak   233 weight  0.10000E+01 volume  0.88216E-03 ppm1      8.317 ppm2      8.968 CV     1
 OR {  233}
   (( segid W   and resid 487   and name HE3 ))
   (( segid W   and resid 476   and name HN ))
 ASSI {  247}
   (( segid W   and resid 466   and name HA ))
   (( segid W   and resid 467   and name HN ))
      2.200     0.700     0.700 peak   247 weight  0.10000E+01 volume  0.78618E-02 ppm1      4.788 ppm2      8.776 CV     1
 OR {  247}
   (( segid W   and resid 467   and name HA ))
   (( segid W   and resid 467   and name HN ))
 ASSI {  276}
   (( segid W   and resid 482   and name HG12)) 
   (( segid W   and resid 480   and name HN ))
      4.500     1.400     1.400 peak   276 weight  0.10000E+01 volume  0.17211E-03 ppm1      0.723 ppm2      8.732 CV     1
 OR {  276}
   (( segid W   and resid 478   and name HG11)) 
   (( segid W   and resid 480   and name HN ))
 OR {  276}
   ( segid W   and resid 482   and name HG2%) 
   (( segid W   and resid 480   and name HN ))
 ASSI {  294}
   (( segid W   and resid 486   and name HE21)) 
   (( segid W   and resid 488   and name HN ))
      3.400     1.100     1.100 peak   294 weight  0.10000E+01 volume  0.93812E-03 ppm1      8.309 ppm2      8.654 CV     1
 OR {  294}
   (( segid W   and resid 489   and name HN ))
   (( segid W   and resid 488   and name HN ))
 ASSI {  330}
   (( segid W   and resid 484   and name HB1 ))
   (( segid W   and resid 479   and name HN ))
      4.200     1.300     1.300 peak   330 weight  0.10000E+01 volume  0.31631E-03 ppm1      1.494 ppm2      8.487 CV     1
 OR {  330}
   (( segid W   and resid 478   and name HB ))
   (( segid W   and resid 479   and name HN ))
 ASSI {  359}
   (( segid W   and resid 489   and name HB2 ))
   (( segid W   and resid 489   and name HN ))
      2.500     0.800     0.800 peak   359 weight  0.10000E+01 volume  0.43744E-02 ppm1      2.249 ppm2      8.318 CV     1
 OR {  359}
   (( segid W   and resid 488   and name HG2 ))
   (( segid W   and resid 489   and name HN ))
 ASSI {  457}
   (( segid W   and resid 484   and name HB1 ))
   (( segid W   and resid 485   and name HN ))
      3.500     1.100     1.100 peak   457 weight  0.10000E+01 volume  0.88185E-03 ppm1      1.489 ppm2      7.984 CV     1
 OR {  457}
   (( segid W   and resid 478   and name HB ))
   (( segid W   and resid 485   and name HN ))
 ASSI {  487}
   (( segid W   and resid 493   and name HG2 ))
   (( segid W   and resid 493   and name HN ))
      3.400     1.000     1.000 peak   487 weight  0.10000E+01 volume  0.11368E-02 ppm1      2.246 ppm2      7.610 CV     1
 OR {  487}
   (( segid W   and resid 489   and name HB2 ))
   (( segid W   and resid 493   and name HN ))
 OR {  487}
   (( segid W   and resid 493   and name HG1 ))
   (( segid W   and resid 493   and name HN ))
 ASSI {  498}
   (( segid W   and resid 465   and name HD1 ))
   (( segid W   and resid 481   and name HD21)) 
      4.300     1.300     1.300 peak   498 weight  0.10000E+01 volume  0.31080E-03 ppm1      7.099 ppm2      7.485 CV     1
 OR {  498}
   (( segid W   and resid 465   and name HD1 ))
   (( segid W   and resid 465   and name HZ2 ))
 ASSI {  569}
   (( segid W   and resid 484   and name HB1 ))
   (( segid W   and resid 484   and name HN ))
      3.100     1.000     1.000 peak   569 weight  0.10000E+01 volume  0.14312E-02 ppm1      1.491 ppm2      7.231 CV     1
 OR {  569}
   (( segid W   and resid 483   and name HD1 ))
   (( segid W   and resid 484   and name HN ))
 ASSI {  571}
   (( segid W   and resid 482   and name HG11)) 
   (( segid W   and resid 484   and name HN ))
      3.500     1.100     1.100 peak   571 weight  0.10000E+01 volume  0.88072E-03 ppm1      0.920 ppm2      7.231 CV     1
 OR {  571}
   (( segid W   and resid 483   and name HG2 ))
   (( segid W   and resid 484   and name HN ))
 ASSI {  606}
   (( segid W   and resid 482   and name HG11)) 
   (( segid W   and resid 483   and name HN ))
      3.100     1.000     1.000 peak   606 weight  0.10000E+01 volume  0.14716E-02 ppm1      0.937 ppm2      7.159 CV     1
 OR {  606}
   (( segid W   and resid 483   and name HG2 ))
   (( segid W   and resid 483   and name HN ))
 ASSI {  607}
   (( segid W   and resid 483   and name HB2 ))
   (( segid W   and resid 483   and name HN ))
      3.000     1.000     1.000 peak   607 weight  0.10000E+01 volume  0.17687E-02 ppm1      0.709 ppm2      7.158 CV     1
 OR {  607}
   ( segid W   and resid 482   and name HG2%) 
   (( segid W   and resid 483   and name HN ))
 ASSI {  644}
   (( segid W   and resid 482   and name HA ))
   (( segid W   and resid 482   and name HN ))
      2.900     1.000     1.000 peak   644 weight  0.10000E+01 volume  0.17417E-02 ppm1      4.364 ppm2      6.287 CV     1
 OR {  644}
   (( segid W   and resid 481   and name HA ))
   (( segid W   and resid 482   and name HN ))
 ASSI {  680}
   (( segid W   and resid 465   and name HZ2 ))
   (( segid W   and resid 479   and name HB1 ))
      4.000     1.200     1.200 peak   680 weight  0.10000E+01 volume  0.53608E-03 ppm1      7.487 ppm2      0.117 CV     1
 OR {  680}
   (( segid W   and resid 481   and name HD21)) 
   (( segid W   and resid 479   and name HB1 ))
 ASSI {  685}
   (( segid W   and resid 482   and name HG12)) 
   (( segid W   and resid 479   and name HB1 ))
      3.900     1.100     1.100 peak   685 weight  0.10000E+01 volume  0.71333E-03 ppm1      0.730 ppm2      0.113 CV     1
 OR {  685}
   (( segid W   and resid 478   and name HG11)) 
   (( segid W   and resid 479   and name HB1 ))
 OR {  685}
   ( segid W   and resid 482   and name HD1%) 
   (( segid W   and resid 479   and name HB1 ))
 ASSI {  734}
   (( segid W   and resid 487   and name HB1 ))
   (( segid W   and resid 487   and name HE3 ))
      3.300     1.100     1.100 peak   734 weight  0.10000E+01 volume  0.87001E-03 ppm1      3.147 ppm2      8.317 CV     1
 OR {  734}
   (( segid W   and resid 476   and name HB2 ))
   (( segid W   and resid 487   and name HE3 ))
 ASSI {  744}
   (( segid W   and resid 465   and name HD1 ))
   (( segid W   and resid 465   and name HB1 ))
      3.900     1.200     1.200 peak   744 weight  0.10000E+01 volume  0.51863E-03 ppm1      7.083 ppm2      3.377 CV     1
 OR {  744}
   ( segid W   and resid 477   and name HD% )
   (( segid W   and resid 465   and name HB1 ))
 ASSI {  745}
   (( segid W   and resid 471   and name HN ))
   (( segid W   and resid 470   and name HB1 ))
      3.200     0.900     0.900 peak   745 weight  0.10000E+01 volume  0.29421E-02 ppm1      6.917 ppm2      3.368 CV     1
 OR {  745}
   ( segid W   and resid 476   and name HD% )
   (( segid W   and resid 470   and name HB1 ))
 ASSI {  797}
   (( segid W   and resid 471   and name HN ))
   (( segid W   and resid 470   and name HA ))
      2.600     0.800     0.800 peak   797 weight  0.10000E+01 volume  0.37793E-02 ppm1      6.925 ppm2      5.256 CV     1
 OR {  797}
   ( segid W   and resid 476   and name HD% )
   (( segid W   and resid 470   and name HA ))
 ASSI {  807}
   (( segid W   and resid 476   and name HN ))
   (( segid W   and resid 476   and name HB1 ))
      2.800     0.900     0.900 peak   807 weight  0.10000E+01 volume  0.35026E-02 ppm1      8.958 ppm2      2.512 CV     1
 OR {  807}
   (( segid W   and resid 477   and name HN ))
   (( segid W   and resid 476   and name HB1 ))
 ASSI {  879}
   (( segid W   and resid 461   and name HA ))
   (( segid W   and resid 462   and name HG1 ))
      3.900     1.100     1.100 peak   879 weight  0.10000E+01 volume  0.82617E-03 ppm1      4.096 ppm2      1.732 CV     1
 OR {  879}
   (( segid W   and resid 461   and name HA ))
   (( segid W   and resid 491   and name HG1 ))
 ASSI {  880}
   (( segid W   and resid 491   and name HA ))
   (( segid W   and resid 462   and name HG1 ))
      2.800     1.000     1.000 peak   880 weight  0.10000E+01 volume  0.18458E-02 ppm1      3.913 ppm2      1.731 CV     1
 OR {  880}
   (( segid W   and resid 491   and name HA ))
   (( segid W   and resid 491   and name HG1 ))
 ASSI {  882}
   (( segid W   and resid 491   and name HD1 ))
   (( segid W   and resid 491   and name HG1 ))
      2.500     0.800     0.800 peak   882 weight  0.10000E+01 volume  0.52675E-02 ppm1      2.753 ppm2      1.732 CV     1
 OR {  882}
   (( segid W   and resid 462   and name HD2 ))
   (( segid W   and resid 462   and name HG1 ))
 OR {  882}
   (( segid W   and resid 491   and name HD2 ))
   (( segid W   and resid 491   and name HG1 ))
 ASSI {  888}
   (( segid W   and resid 490   and name HG1 ))
   (( segid W   and resid 462   and name HG1 ))
      4.700     1.200     1.200 peak   888 weight  0.10000E+01 volume  0.44195E-03 ppm1      0.558 ppm2      1.738 CV     1
 OR {  888}
   (( segid W   and resid 490   and name HG1 ))
   (( segid W   and resid 491   and name HG1 ))
 ASSI {  937}
   (( segid W   and resid 467   and name HA ))
   ( segid W   and resid 477   and name HD% )
      4.200     1.300     1.300 peak   937 weight  0.10000E+01 volume  0.26444E-03 ppm1      4.777 ppm2      7.074 CV     1
 OR {  937}
   (( segid W   and resid 486   and name HA ))
   ( segid W   and resid 477   and name HD% )
 ASSI {  938}
   (( segid W   and resid 489   and name HA ))
   ( segid W   and resid 477   and name HD% )
      4.400     1.400     1.400 peak   938 weight  0.10000E+01 volume  0.17366E-03 ppm1      2.907 ppm2      7.084 CV     1
 OR {  938}
   (( segid W   and resid 486   and name HG1 ))
   ( segid W   and resid 477   and name HD% )
 ASSI {  953}
   (( segid W   and resid 476   and name HN ))
   ( segid W   and resid 476   and name HD% )
      2.800     1.000     1.000 peak   953 weight  0.10000E+01 volume  0.17980E-02 ppm1      8.964 ppm2      6.938 CV     1
 OR {  953}
   (( segid W   and resid 477   and name HN ))
   ( segid W   and resid 476   and name HD% )
 ASSI {  985}
   (( segid W   and resid 491   and name HE ))
   (( segid W   and resid 491   and name HD2 ))
      2.600     0.900     0.900 peak   985 weight  0.10000E+01 volume  0.30396E-02 ppm1      8.690 ppm2      2.752 CV     1
 OR {  985}
   (( segid W   and resid 491   and name HE ))
   (( segid W   and resid 491   and name HD1 ))
 OR {  985}
   (( segid W   and resid 461   and name HN ))
   (( segid W   and resid 491   and name HD2 ))
 ASSI {  992}
   (( segid W   and resid 461   and name HB1 ))
   (( segid W   and resid 491   and name HD2 ))
      3.600     1.100     1.100 peak   992 weight  0.10000E+01 volume  0.81147E-03 ppm1      1.421 ppm2      2.746 CV     1
 OR {  992}
   (( segid W   and resid 458   and name HB2 ))
   (( segid W   and resid 491   and name HD2 ))
 OR {  992}
   (( segid W   and resid 461   and name HB1 ))
   (( segid W   and resid 491   and name HD1 ))
 ASSI { 1014}
   (( segid W   and resid 495   and name HB ))
   (( segid W   and resid 495   and name HA ))
      3.100     1.000     1.000 peak  1014 weight  0.10000E+01 volume  0.13572E-02 ppm1      2.090 ppm2      4.106 CV     1
 OR { 1014}
   (( segid W   and resid 453   and name HB ))
   (( segid W   and resid 453   and name HA ))
 ASSI { 1015}
   ( segid W   and resid 453   and name HG2%) 
   (( segid W   and resid 453   and name HA ))
      3.100     1.000     1.000 peak  1015 weight  0.10000E+01 volume  0.15642E-02 ppm1      0.911 ppm2      4.101 CV     1
 OR { 1015}
   ( segid W   and resid 453   and name HG1%) 
   (( segid W   and resid 453   and name HA ))
 OR { 1015}
   ( segid W   and resid 495   and name HG2%) 
   (( segid W   and resid 495   and name HA ))
 ASSI { 1035}
   (( segid W   and resid 494   and name HA ))
   (( segid W   and resid 494   and name HB1 ))
      2.800     0.900     0.900 peak  1035 weight  0.10000E+01 volume  0.24488E-02 ppm1      4.687 ppm2      2.805 CV     1
 OR { 1035}
   (( segid W   and resid 456   and name HA ))
   (( segid W   and resid 456   and name HB1 ))
 ASSI { 1085}
   (( segid W   and resid 487   and name HB1 ))
   (( segid W   and resid 487   and name HA ))
      2.600     0.900     0.900 peak  1085 weight  0.10000E+01 volume  0.30501E-02 ppm1      3.145 ppm2      5.237 CV     1
 OR { 1085}
   (( segid W   and resid 476   and name HB2 ))
   (( segid W   and resid 487   and name HA ))
 ASSI { 1232}
   (( segid W   and resid 491   and name HD2 ))
   (( segid W   and resid 461   and name HA ))
      2.200     0.800     0.800 peak  1232 weight  0.10000E+01 volume  0.65484E-02 ppm1      2.751 ppm2      4.100 CV     1
 OR { 1232}
   (( segid W   and resid 462   and name HD2 ))
   (( segid W   and resid 461   and name HA ))
 ASSI { 1247}
   (( segid W   and resid 489   and name HA ))
   (( segid W   and resid 490   and name HA ))
      4.700     1.400     1.300 peak  1247 weight  0.10000E+01 volume  0.16255E-03 ppm1      2.910 ppm2      4.000 CV     1
 OR { 1247}
   (( segid W   and resid 486   and name HG1 ))
   (( segid W   and resid 490   and name HA ))
 ASSI { 1249}
   (( segid W   and resid 493   and name HG2 ))
   (( segid W   and resid 490   and name HA ))
      3.600     1.100     1.100 peak  1249 weight  0.10000E+01 volume  0.60485E-03 ppm1      2.239 ppm2      3.996 CV     1
 OR { 1249}
   (( segid W   and resid 493   and name HG1 ))
   (( segid W   and resid 490   and name HA ))
 OR { 1249}
   (( segid W   and resid 489   and name HB2 ))
   (( segid W   and resid 490   and name HA ))
 ASSI { 1251}
   (( segid W   and resid 491   and name HG1 ))
   (( segid W   and resid 490   and name HA ))
      5.600     1.600     0.400 peak  1251 weight  0.10000E+01 volume  0.70926E-04 ppm1      1.744 ppm2      3.996 CV     1
 OR { 1251}
   (( segid W   and resid 462   and name HG1 ))
   (( segid W   and resid 490   and name HA ))
 OR { 1251}
   (( segid W   and resid 488   and name HB2 ))
   (( segid W   and resid 490   and name HA ))
 ASSI { 1345}
   (( segid W   and resid 486   and name HE22)) 
   (( segid W   and resid 490   and name HG2 ))
      4.500     1.300     1.300 peak  1345 weight  0.10000E+01 volume  0.30091E-03 ppm1      7.113 ppm2      0.099 CV     1
 OR { 1345}
   (( segid W   and resid 465   and name HH2 ))
   (( segid W   and resid 490   and name HG2 ))
 ASSI { 1692}
   (( segid W   and resid 467   and name HA ))
   (( segid W   and resid 468   and name HG2 ))
      5.400     1.700     0.600 peak  1692 weight  0.10000E+01 volume  0.64979E-04 ppm1      4.783 ppm2      1.245 CV     1
 OR { 1692}
   (( segid W   and resid 466   and name HA ))
   (( segid W   and resid 468   and name HG2 ))
 ASSI { 1728}
   (( segid W   and resid 491   and name HD2 ))
   (( segid W   and resid 458   and name HB2 ))
      3.100     1.000     1.000 peak  1728 weight  0.10000E+01 volume  0.14024E-02 ppm1      2.749 ppm2      1.426 CV     1
 OR { 1728}
   (( segid W   and resid 491   and name HD1 ))
   (( segid W   and resid 458   and name HB2 ))
 OR { 1728}
   (( segid W   and resid 457   and name HB1 ))
   (( segid W   and resid 458   and name HB2 ))
 ASSI { 1751}
   (( segid W   and resid 491   and name HD2 ))
   (( segid W   and resid 491   and name HB1 ))
      3.100     1.000     1.000 peak  1751 weight  0.10000E+01 volume  0.15632E-02 ppm1      2.751 ppm2      1.587 CV     1
 OR { 1751}
   (( segid W   and resid 462   and name HD2 ))
   (( segid W   and resid 491   and name HB1 ))
 ASSI { 1807}
   (( segid W   and resid 491   and name HD2 ))
   (( segid W   and resid 461   and name HG ))
      4.300     1.200     1.200 peak  1807 weight  0.10000E+01 volume  0.51505E-03 ppm1      2.756 ppm2      1.817 CV     1
 OR { 1807}
   (( segid W   and resid 462   and name HD2 ))
   (( segid W   and resid 461   and name HG ))
 ASSI { 1897}
   (( segid W   and resid 460   and name HB2 ))
   (( segid W   and resid 460   and name HB1 ))
      1.600     0.500     0.600 peak  1897 weight  0.10000E+01 volume  0.50282E-01 ppm1      1.963 ppm2      2.301 CV     1
 OR { 1897}
   (( segid W   and resid 452   and name HB1 ))
   (( segid W   and resid 452   and name HB2 ))
 ASSI { 1946}
   (( segid W   and resid 484   and name HN ))
   (( segid W   and resid 482   and name HB ))
      6.000     2.100     0.000 peak  1946 weight  0.10000E+01 volume  0.17035E-04 ppm1      7.218 ppm2      1.937 CV     1
 OR { 1946}
   (( segid W   and resid 479   and name HD21)) 
   (( segid W   and resid 482   and name HB ))
 ASSI { 2059}
   (( segid W   and resid 467   and name HA ))
   (( segid W   and resid 477   and name HB1 ))
      4.600     1.400     1.400 peak  2059 weight  0.10000E+01 volume  0.19205E-03 ppm1      4.785 ppm2      3.059 CV     1
 OR { 2059}
   (( segid W   and resid 466   and name HA ))
   (( segid W   and resid 477   and name HB1 ))
 ASSI { 2132}
   (( segid W   and resid 486   and name HE21)) 
   (( segid W   and resid 489   and name HA ))
      2.900     1.000     1.000 peak  2132 weight  0.10000E+01 volume  0.18037E-02 ppm1      8.318 ppm2      2.894 CV     1
 OR { 2132}
   (( segid W   and resid 489   and name HN ))
   (( segid W   and resid 489   and name HA ))
 ASSI { 2149}
   (( segid W   and resid 491   and name HD2 ))
   (( segid W   and resid 491   and name HA ))
      4.300     1.200     1.200 peak  2149 weight  0.10000E+01 volume  0.58925E-03 ppm1      2.759 ppm2      3.911 CV     1
 OR { 2149}
   (( segid W   and resid 462   and name HD2 ))
   (( segid W   and resid 491   and name HA ))
 OR { 2149}
   (( segid W   and resid 491   and name HD1 ))
   (( segid W   and resid 491   and name HA ))
 ASSI { 2186}
   (( segid W   and resid 479   and name HB1 ))
   (( segid W   and resid 465   and name HE3 ))
      4.400     1.400     1.400 peak  2186 weight  0.10000E+01 volume  0.18700E-03 ppm1      0.096 ppm2      7.461 CV     1
 OR { 2186}
   (( segid W   and resid 490   and name HG2 ))
   (( segid W   and resid 465   and name HE3 ))
 ASSI { 2221}
   (( segid W   and resid 476   and name HB2 ))
   (( segid W   and resid 487   and name HZ3 ))
      4.100     1.200     1.200 peak  2221 weight  0.10000E+01 volume  0.52125E-03 ppm1      3.150 ppm2      6.884 CV     1
 OR { 2221}
   (( segid W   and resid 487   and name HB1 ))
   (( segid W   and resid 487   and name HZ3 ))
 ASSI { 2275}
   (( segid W   and resid 477   and name HN ))
   (( segid W   and resid 476   and name HA ))
      2.500     0.800     0.800 peak  2275 weight  0.10000E+01 volume  0.40127E-02 ppm1      8.961 ppm2      5.159 CV     1
 OR { 2275}
   (( segid W   and resid 476   and name HN ))
   (( segid W   and resid 476   and name HA ))
 ASSI { 2296}
   (( segid W   and resid 478   and name HB ))
   (( segid W   and resid 480   and name HD2 ))
      5.200     1.500     0.800 peak  2296 weight  0.10000E+01 volume  0.10857E-03 ppm1      1.490 ppm2      6.900 CV     1
 OR { 2296}
   (( segid W   and resid 483   and name HD1 ))
   (( segid W   and resid 480   and name HD2 ))
 ASSI { 2314}
   (( segid W   and resid 493   and name HB1 ))
   (( segid W   and resid 490   and name HB1 ))
      4.500     1.300     1.300 peak  2314 weight  0.10000E+01 volume  0.24311E-03 ppm1      1.920 ppm2      0.867 CV     1
 OR { 2314}
   (( segid W   and resid 493   and name HB1 ))
   (( segid W   and resid 490   and name HB2 ))
 OR { 2314}
   (( segid W   and resid 492   and name HB1 ))
   (( segid W   and resid 490   and name HB1 ))
 ASSI { 2319}
   (( segid W   and resid 486   and name HE22)) 
   (( segid W   and resid 490   and name HB1 ))
      3.400     1.100     1.100 peak  2319 weight  0.10000E+01 volume  0.61515E-03 ppm1      7.129 ppm2      0.891 CV     1
 OR { 2319}
   (( segid W   and resid 465   and name HH2 ))
   (( segid W   and resid 490   and name HB2 ))
 OR { 2319}
   (( segid W   and resid 486   and name HE22)) 
   (( segid W   and resid 490   and name HB2 ))
 ASSI { 2332}
   (( segid W   and resid 496   and name HN ))
   (( segid W   and resid 495   and name HA ))
      2.900     0.900     0.900 peak  2332 weight  0.10000E+01 volume  0.19848E-02 ppm1      8.276 ppm2      4.108 CV     1
 OR { 2332}
   (( segid W   and resid 454   and name HN ))
   (( segid W   and resid 453   and name HA ))
 ASSI {   10}
   (( segid B   and resid 621   and name HA ))
   (( segid B   and resid 621   and name HN ))
      3.400     1.100     1.100 peak    10 weight  0.10000E+01 volume  0.81616E-03 ppm1      3.965 ppm2      6.985 CV     1
 OR {   10}
   (( segid B   and resid 620   and name HB1 ))
   (( segid B   and resid 621   and name HN ))
 ASSI {  100}
   (( segid B   and resid 617   and name HB1 ))
   (( segid B   and resid 619   and name HN ))
      2.700     0.800     0.800 peak   100 weight  0.10000E+01 volume  0.45754E-02 ppm1      2.762 ppm2      8.342 CV     1
 OR {  100}
   (( segid B   and resid 619   and name HB1 ))
   (( segid B   and resid 619   and name HN ))
 ASSI {  119}
   (( segid B   and resid 620   and name HB2 ))
   (( segid B   and resid 618   and name HA ))
      4.300     1.300     1.300 peak   119 weight  0.10000E+01 volume  0.32384E-03 ppm1      3.863 ppm2      3.555 CV     1
 OR {  119}
   (( segid B   and resid 616   and name HA ))
   (( segid B   and resid 618   and name HA ))
 ASSI {  159}
   (( segid B   and resid 621   and name HB2 ))
   ( segid B   and resid 618   and name HD% )
      5.400     5.400     0.600 peak   159 weight  0.10000E+01 volume  0.88375E-04 ppm1      1.338 ppm2      6.689 CV     1
 OR {  159}
   (( segid W   and resid 478   and name HG11)) 
   ( segid B   and resid 618   and name HD% )
 ASSI {  433}
   (( segid B   and resid 611   and name HA ))
   (( segid B   and resid 612   and name HN ))
      3.400     1.100     1.100 peak   433 weight  0.10000E+01 volume  0.10851E-02 ppm1      4.339 ppm2      8.465 CV     1
 OR {  433}
   (( segid B   and resid 610   and name HA ))
   (( segid B   and resid 612   and name HN ))
 ASSI {  443}
   (( segid B   and resid 611   and name HA ))
   (( segid B   and resid 612   and name HA2 ))
      3.300     3.300     2.700 peak   443 weight  0.10000E+01 volume  0.14037E-02 ppm1      4.341 ppm2      4.042 CV     1
 OR {  443}
   (( segid B   and resid 610   and name HA ))
   (( segid B   and resid 612   and name HA2 ))
 ASSI {  493}
   (( segid B   and resid 610   and name HB ))
   (( segid B   and resid 610   and name HN ))
      3.200     1.000     1.000 peak   493 weight  0.10000E+01 volume  0.12725E-02 ppm1      1.804 ppm2      8.194 CV     1
 OR {  493}
   (( segid B   and resid 609   and name HB2 ))
   (( segid B   and resid 610   and name HN ))
 ASSI {  496}
   ( segid B   and resid 610   and name HG2%) 
   (( segid B   and resid 610   and name HN ))
      4.600     1.400     1.400 peak   496 weight  0.10000E+01 volume  0.25792E-03 ppm1      0.936 ppm2      8.198 CV     1
 OR {  496}
   ( segid B   and resid 608   and name HD2%) 
   (( segid B   and resid 610   and name HN ))
 ASSI {  528}
   (( segid B   and resid 608   and name HG ))
   (( segid B   and resid 610   and name HG11)) 
      2.000     2.000     4.000 peak   528 weight  0.10000E+01 volume  0.45071E-01 ppm1      1.667 ppm2      1.536 CV     1
 OR {  528}
   (( segid B   and resid 611   and name HG2 ))
   (( segid B   and resid 610   and name HG11)) 
 ASSI {  597}
   (( segid B   and resid 610   and name HG11)) 
   (( segid B   and resid 609   and name HD2 ))
      5.000     1.400     1.000 peak   597 weight  0.10000E+01 volume  0.20293E-03 ppm1      1.539 ppm2      3.822 CV     1
 OR {  597}
   (( segid B   and resid 608   and name HB1 ))
   (( segid B   and resid 609   and name HD2 ))
 ASSI {   22}
   ( segid W   and resid 476   and name HD% )
   (( segid W   and resid 470   and name HN ))
      3.200     1.500     1.500 peak    22 weight  0.10000E+01 volume  0.31878E-02 ppm1      6.922 ppm2      9.811 CV     1
 OR {   22}
   (( segid W   and resid 471   and name HN ))
   (( segid W   and resid 470   and name HN ))
 ASSI {   71}
   ( segid W   and resid 477   and name HD% )
   (( segid W   and resid 466   and name HN ))
      5.000     2.900     1.000 peak    71 weight  0.10000E+01 volume  0.42213E-03 ppm1      7.086 ppm2      9.378 CV     1
 OR {   71}
   (( segid W   and resid 465   and name HD1 ))
   (( segid W   and resid 466   and name HN ))
 ASSI {  142}
   (( segid B   and resid 614   and name HG1 ))
   (( segid W   and resid 487   and name HN ))
      4.800     2.500     1.200 peak   142 weight  0.10000E+01 volume  0.66235E-03 ppm1      2.054 ppm2      9.098 CV     1
 OR {  142}
   (( segid W   and resid 488   and name HB1 ))
   (( segid W   and resid 487   and name HN ))
 OR {  142}
   (( segid B   and resid 614   and name HG2 ))
   (( segid W   and resid 487   and name HN ))
 ASSI {  168}
   (( segid W   and resid 470   and name HB2 ))
   (( segid W   and resid 476   and name HN ))
      4.700     3.300     1.300 peak   168 weight  0.10000E+01 volume  0.25534E-03 ppm1      3.954 ppm2      8.967 CV     1
 OR {  168}
   (( segid W   and resid 469   and name HB ))
   (( segid W   and resid 476   and name HN ))
 ASSI {  178}
   (( segid W   and resid 487   and name HE3 ))
   (( segid W   and resid 477   and name HN ))
      4.600     2.800     1.400 peak   178 weight  0.10000E+01 volume  0.44315E-03 ppm1      8.307 ppm2      8.958 CV     1
 OR {  178}
   (( segid W   and resid 486   and name HE22)) 
   (( segid W   and resid 477   and name HN ))
 ASSI {  185}
   (( segid W   and resid 486   and name HA ))
   (( segid W   and resid 477   and name HN ))
      4.200     2.500     1.800 peak   185 weight  0.10000E+01 volume  0.64393E-03 ppm1      4.777 ppm2      8.961 CV     1
 OR {  185}
   (( segid W   and resid 467   and name HA ))
   (( segid W   and resid 477   and name HN ))
 ASSI {  226}
   (( segid W   and resid 478   and name HA ))
   (( segid W   and resid 480   and name HN ))
      4.800     2.600     1.200 peak   226 weight  0.10000E+01 volume  0.58766E-03 ppm1      4.342 ppm2      8.717 CV     1
 OR {  226}
   (( segid W   and resid 482   and name HA ))
   (( segid W   and resid 480   and name HN ))
 ASSI {  236}
   (( segid W   and resid 478   and name HG12)) 
   (( segid W   and resid 480   and name HN ))
      4.400     2.500     1.600 peak   236 weight  0.10000E+01 volume  0.66124E-03 ppm1      0.732 ppm2      8.720 CV     1
 OR {  236}
   (( segid W   and resid 482   and name HG12)) 
   (( segid W   and resid 480   and name HN ))
 OR {  236}
   ( segid W   and resid 482   and name HD1%) 
   (( segid W   and resid 480   and name HN ))
 ASSI {  246}
   (( segid W   and resid 489   and name HN ))
   (( segid W   and resid 488   and name HN ))
      3.800     1.900     1.900 peak   246 weight  0.10000E+01 volume  0.15495E-02 ppm1      8.309 ppm2      8.654 CV     1
 OR {  246}
   (( segid W   and resid 486   and name HE22)) 
   (( segid W   and resid 488   and name HN ))
 ASSI {  263}
   (( segid W   and resid 486   and name HG2 ))
   (( segid W   and resid 478   and name HN ))
      6.000     4.700     0.000 peak   263 weight  0.10000E+01 volume  0.87770E-04 ppm1      2.405 ppm2      9.548 CV     1
 OR {  263}
   (( segid W   and resid 466   and name HG1 ))
   (( segid W   and resid 478   and name HN ))
 ASSI {  267}
   (( segid W   and resid 488   and name HN ))
   (( segid W   and resid 486   and name HE22)) 
      4.300     2.600     1.700 peak   267 weight  0.10000E+01 volume  0.58648E-03 ppm1      8.646 ppm2      8.320 CV     1
 OR {  267}
   (( segid W   and resid 491   and name HN ))
   (( segid W   and resid 486   and name HE22)) 
 ASSI {  268}
   (( segid W   and resid 488   and name HN ))
   (( segid W   and resid 486   and name HE21)) 
      4.800     2.700     1.200 peak   268 weight  0.10000E+01 volume  0.49287E-03 ppm1      8.646 ppm2      7.127 CV     1
 OR {  268}
   (( segid W   and resid 491   and name HN ))
   (( segid W   and resid 486   and name HE21)) 
 ASSI {  284}
   (( segid W   and resid 490   and name HD2 ))
   (( segid W   and resid 491   and name HN ))
      2.400     1.400     1.400 peak   284 weight  0.10000E+01 volume  0.45397E-02 ppm1      2.735 ppm2      8.634 CV     1
 OR {  284}
   (( segid W   and resid 490   and name HD1 ))
   (( segid W   and resid 491   and name HN ))
 OR {  284}
   (( segid W   and resid 491   and name HD1 ))
   (( segid W   and resid 491   and name HN ))
 ASSI {  317}
   (( segid W   and resid 482   and name HG11)) 
   (( segid W   and resid 479   and name HN ))
      6.000     6.000     0.000 peak   317 weight  0.10000E+01 volume  0.30616E-04 ppm1      0.949 ppm2      8.495 CV     1
 OR {  317}
   (( segid W   and resid 483   and name HG1 ))
   (( segid W   and resid 479   and name HN ))
 ASSI {  343}
   (( segid W   and resid 470   and name HB2 ))
   (( segid W   and resid 475   and name HN ))
      6.000     5.200     0.000 peak   343 weight  0.10000E+01 volume  0.62619E-04 ppm1      3.955 ppm2      8.456 CV     1
 OR {  343}
   (( segid W   and resid 469   and name HB ))
   (( segid W   and resid 475   and name HN ))
 ASSI {  369}
   (( segid W   and resid 494   and name HN ))
   (( segid W   and resid 495   and name HN ))
      3.800     2.500     2.200 peak   369 weight  0.10000E+01 volume  0.65203E-03 ppm1      8.302 ppm2      7.924 CV     1
 OR {  369}
   (( segid W   and resid 496   and name HN ))
   (( segid W   and resid 495   and name HN ))
 ASSI {  370}
   (( segid W   and resid 489   and name HN ))
   (( segid W   and resid 492   and name HN ))
      5.000     2.800     1.000 peak   370 weight  0.10000E+01 volume  0.42693E-03 ppm1      8.302 ppm2      7.313 CV     1
 OR {  370}
   (( segid W   and resid 494   and name HN ))
   (( segid W   and resid 492   and name HN ))
 OR {  370}
   (( segid W   and resid 486   and name HE22)) 
   (( segid W   and resid 492   and name HN ))
 ASSI {  398}
   (( segid W   and resid 469   and name HN ))
   (( segid W   and resid 476   and name HN ))
      4.300     2.300     1.700 peak   398 weight  0.10000E+01 volume  0.79884E-03 ppm1      8.224 ppm2      8.964 CV     1
 OR {  398}
   (( segid W   and resid 474   and name HN ))
   (( segid W   and resid 476   and name HN ))
 ASSI {  432}
   (( segid W   and resid 457   and name HB1 ))
   (( segid W   and resid 459   and name HN ))
      3.900     2.100     2.100 peak   432 weight  0.10000E+01 volume  0.10949E-02 ppm1      2.740 ppm2      8.147 CV     1
 OR {  432}
   (( segid W   and resid 491   and name HD2 ))
   (( segid W   and resid 459   and name HN ))
 OR {  432}
   (( segid W   and resid 491   and name HD1 ))
   (( segid W   and resid 459   and name HN ))
 ASSI {  435}
   (( segid W   and resid 491   and name HB2 ))
   (( segid W   and resid 459   and name HN ))
      6.000     4.600     0.000 peak   435 weight  0.10000E+01 volume  0.91989E-04 ppm1      1.813 ppm2      8.143 CV     1
 OR {  435}
   (( segid W   and resid 461   and name HG ))
   (( segid W   and resid 459   and name HN ))
 ASSI {  558}
   (( segid W   and resid 492   and name HB1 ))
   (( segid W   and resid 493   and name HN ))
      3.100     1.500     1.500 peak   558 weight  0.10000E+01 volume  0.36777E-02 ppm1      1.917 ppm2      7.611 CV     1
 OR {  558}
   (( segid W   and resid 493   and name HB1 ))
   (( segid W   and resid 493   and name HN ))
 ASSI {  599}
   (( segid W   and resid 484   and name HB1 ))
   (( segid W   and resid 484   and name HN ))
      2.900     1.400     1.400 peak   599 weight  0.10000E+01 volume  0.46197E-02 ppm1      1.485 ppm2      7.234 CV     1
 OR {  599}
   (( segid W   and resid 483   and name HD2 ))
   (( segid W   and resid 484   and name HN ))
 OR {  599}
   (( segid W   and resid 483   and name HD1 ))
   (( segid W   and resid 484   and name HN ))
 ASSI {  601}
   (( segid W   and resid 482   and name HG11)) 
   (( segid W   and resid 484   and name HN ))
      3.600     1.800     1.800 peak   601 weight  0.10000E+01 volume  0.19139E-02 ppm1      0.932 ppm2      7.232 CV     1
 OR {  601}
   (( segid W   and resid 483   and name HG1 ))
   (( segid W   and resid 484   and name HN ))
 ASSI {  602}
   (( segid W   and resid 478   and name HG12)) 
   (( segid W   and resid 484   and name HN ))
      3.000     1.600     1.600 peak   602 weight  0.10000E+01 volume  0.29714E-02 ppm1      0.724 ppm2      7.234 CV     1
 OR {  602}
   (( segid W   and resid 482   and name HG12)) 
   (( segid W   and resid 484   and name HN ))
 OR {  602}
   ( segid W   and resid 482   and name HD1%) 
   (( segid W   and resid 484   and name HN ))
 ASSI {  627}
   (( segid W   and resid 483   and name HG1 ))
   (( segid W   and resid 483   and name HN ))
      3.200     1.600     1.600 peak   627 weight  0.10000E+01 volume  0.28269E-02 ppm1      0.932 ppm2      7.158 CV     1
 OR {  627}
   (( segid W   and resid 482   and name HG11)) 
   (( segid W   and resid 483   and name HN ))
 ASSI {  628}
   (( segid W   and resid 483   and name HB2 ))
   (( segid W   and resid 483   and name HN ))
      3.100     1.300     1.300 peak   628 weight  0.10000E+01 volume  0.50826E-02 ppm1      0.716 ppm2      7.159 CV     1
 OR {  628}
   (( segid W   and resid 482   and name HG12)) 
   (( segid W   and resid 483   and name HN ))
 OR {  628}
   ( segid W   and resid 482   and name HG2%) 
   (( segid W   and resid 483   and name HN ))
 ASSI {  723}
   (( segid W   and resid 477   and name HB2 ))
   (( segid W   and resid 489   and name HN ))
      4.700     2.600     1.300 peak   723 weight  0.10000E+01 volume  0.53896E-03 ppm1      3.265 ppm2      8.333 CV     1
 OR {  723}
   (( segid W   and resid 477   and name HB2 ))
   (( segid W   and resid 468   and name HN ))
 ASSI {  724}
   (( segid W   and resid 476   and name HB2 ))
   (( segid W   and resid 468   and name HN ))
      4.700     3.000     1.300 peak   724 weight  0.10000E+01 volume  0.36835E-03 ppm1      3.134 ppm2      8.329 CV     1
 OR {  724}
   (( segid W   and resid 487   and name HB1 ))
   (( segid W   and resid 489   and name HN ))
 ASSI {  792}
   (( segid W   and resid 465   and name HD1 ))
   (( segid W   and resid 481   and name HD22)) 
      4.400     2.500     1.600 peak   792 weight  0.10000E+01 volume  0.67439E-03 ppm1      7.098 ppm2      7.488 CV     1
 OR {  792}
   (( segid W   and resid 465   and name HD1 ))
   (( segid W   and resid 465   and name HZ2 ))
 ASSI {  816}
   (( segid W   and resid 490   and name HD2 ))
   (( segid W   and resid 492   and name HN ))
      5.000     3.000     1.000 peak   816 weight  0.10000E+01 volume  0.37307E-03 ppm1      2.737 ppm2      7.308 CV     1
 OR {  816}
   (( segid W   and resid 491   and name HD1 ))
   (( segid W   and resid 492   and name HN ))
 OR {  816}
   (( segid W   and resid 490   and name HD1 ))
   (( segid W   and resid 492   and name HN ))
 ASSI {  842}
   (( segid W   and resid 482   and name HA ))
   (( segid W   and resid 479   and name HD22)) 
      6.000     3.700     0.000 peak   842 weight  0.10000E+01 volume  0.18591E-03 ppm1      4.338 ppm2      7.204 CV     1
 OR {  842}
   (( segid W   and resid 478   and name HA ))
   (( segid W   and resid 479   and name HD22)) 
 ASSI {  864}
   (( segid W   and resid 458   and name HG ))
   (( segid W   and resid 491   and name HH21)) 
      5.000     2.900     1.000 peak   864 weight  0.10000E+01 volume  0.39787E-03 ppm1      1.589 ppm2      6.986 CV     1
 OR {  864}
   (( segid W   and resid 491   and name HB1 ))
   (( segid W   and resid 491   and name HH21)) 
 ASSI {  871}
   (( segid W   and resid 467   and name HG1 ))
   (( segid W   and resid 468   and name HN ))
      3.600     1.500     1.500 peak   871 weight  0.10000E+01 volume  0.31905E-02 ppm1      1.940 ppm2      8.337 CV     1
 OR {  871}
   (( segid W   and resid 475   and name HB ))
   (( segid W   and resid 468   and name HN ))
 ASSI {  898}
   (( segid B   and resid 614   and name HG1 ))
   (( segid W   and resid 486   and name HN ))
      6.000     4.200     0.000 peak   898 weight  0.10000E+01 volume  0.12539E-03 ppm1      2.017 ppm2      9.275 CV     1
 OR {  898}
   (( segid B   and resid 614   and name HG2 ))
   (( segid W   and resid 486   and name HN ))
 OR {  898}
   (( segid W   and resid 488   and name HB1 ))
   (( segid W   and resid 486   and name HN ))
 ASSI {  982}
   (( segid W   and resid 481   and name HD22)) 
   (( segid W   and resid 464   and name HN ))
      6.000     5.500     0.000 peak   982 weight  0.10000E+01 volume  0.52048E-04 ppm1      7.475 ppm2      8.991 CV     1
 OR {  982}
   (( segid W   and resid 465   and name HE3 ))
   (( segid W   and resid 464   and name HN ))
 ASSI {  988}
   (( segid W   and resid 488   and name HG1 ))
   (( segid W   and resid 486   and name HE22)) 
      3.700     3.700     2.300 peak   988 weight  0.10000E+01 volume  0.29407E-02 ppm1      2.492 ppm2      8.312 CV     1
 OR {  988}
   (( segid W   and resid 476   and name HB1 ))
   (( segid W   and resid 486   and name HE22)) 
 ASSI { 1151}
   (( segid W   and resid 496   and name HN ))
   ( segid W   and resid 495   and name HG2%) 
      5.700     4.200     0.300 peak  1151 weight  0.10000E+01 volume  0.12109E-03 ppm1      8.301 ppm2      0.914 CV     1
 OR { 1151}
   (( segid W   and resid 494   and name HN ))
   ( segid W   and resid 495   and name HG2%) 
 OR { 1151}
   (( segid W   and resid 496   and name HN ))
   ( segid W   and resid 495   and name HG1%) 
 ASSI { 1174}
   (( segid W   and resid 497   and name HN ))
   (( segid W   and resid 497   and name HA ))
      3.700     2.300     2.300 peak  1174 weight  0.10000E+01 volume  0.87379E-03 ppm1      8.129 ppm2      4.241 CV     1
 OR { 1174}
   (( segid W   and resid 498   and name HN ))
   (( segid W   and resid 497   and name HA ))
 ASSI { 1177}
   (( segid W   and resid 498   and name HN ))
   (( segid W   and resid 497   and name HB ))
      4.500     3.200     1.500 peak  1177 weight  0.10000E+01 volume  0.30894E-03 ppm1      8.129 ppm2      1.906 CV     1
 OR { 1177}
   (( segid W   and resid 497   and name HN ))
   (( segid W   and resid 497   and name HB ))
 ASSI { 1238}
   (( segid W   and resid 484   and name HN ))
   (( segid W   and resid 484   and name HB2 ))
      3.400     2.000     2.000 peak  1238 weight  0.10000E+01 volume  0.12988E-02 ppm1      7.226 ppm2      1.650 CV     1
 OR { 1238}
   (( segid W   and resid 479   and name HD22)) 
   (( segid W   and resid 484   and name HB2 ))
 ASSI { 1240}
   (( segid W   and resid 479   and name HD22)) 
   (( segid W   and resid 484   and name HB1 ))
      3.400     1.900     1.900 peak  1240 weight  0.10000E+01 volume  0.15569E-02 ppm1      7.226 ppm2      1.488 CV     1
 OR { 1240}
   (( segid W   and resid 484   and name HN ))
   (( segid W   and resid 484   and name HB1 ))
 ASSI { 1289}
   (( segid W   and resid 461   and name HN ))
   (( segid W   and resid 462   and name HD1 ))
      4.700     2.200     1.300 peak  1289 weight  0.10000E+01 volume  0.93574E-03 ppm1      8.689 ppm2      3.316 CV     1
 OR { 1289}
   (( segid W   and resid 491   and name HE ))
   (( segid W   and resid 462   and name HD1 ))
 ASSI { 1303}
   (( segid W   and resid 489   and name HN ))
   (( segid W   and resid 489   and name HA ))
      2.800     1.500     1.500 peak  1303 weight  0.10000E+01 volume  0.33606E-02 ppm1      8.302 ppm2      2.895 CV     1
 OR { 1303}
   (( segid W   and resid 486   and name HE22)) 
   (( segid W   and resid 489   and name HA ))
 ASSI { 1393}
   (( segid W   and resid 477   and name HB1 ))
   (( segid W   and resid 485   and name HA ))
      6.000     4.000     0.000 peak  1393 weight  0.10000E+01 volume  0.14640E-03 ppm1      3.050 ppm2      5.524 CV     1
 OR { 1393}
   (( segid B   and resid 615   and name HD1 ))
   (( segid W   and resid 485   and name HA ))
 ASSI { 1566}
   (( segid W   and resid 483   and name HE1 ))
   (( segid W   and resid 482   and name HA ))
      5.100     3.100     0.900 peak  1566 weight  0.10000E+01 volume  0.31217E-03 ppm1      2.957 ppm2      4.359 CV     1
 OR { 1566}
   (( segid W   and resid 481   and name HB1 ))
   (( segid W   and resid 482   and name HA ))
 OR { 1566}
   (( segid W   and resid 483   and name HE2 ))
   (( segid W   and resid 482   and name HA ))
 ASSI { 1569}
   (( segid W   and resid 482   and name HG11)) 
   (( segid W   and resid 482   and name HA ))
      3.400     1.600     1.600 peak  1569 weight  0.10000E+01 volume  0.28598E-02 ppm1      0.929 ppm2      4.358 CV     1
 OR { 1569}
   (( segid W   and resid 483   and name HG1 ))
   (( segid W   and resid 482   and name HA ))
 ASSI { 1691}
   (( segid W   and resid 457   and name HB1 ))
   (( segid W   and resid 459   and name HA1 ))
      4.500     2.900     1.500 peak  1691 weight  0.10000E+01 volume  0.39807E-03 ppm1      2.751 ppm2      3.938 CV     1
 OR { 1691}
   (( segid W   and resid 491   and name HD2 ))
   (( segid W   and resid 459   and name HA1 ))
 OR { 1691}
   (( segid W   and resid 491   and name HD1 ))
   (( segid W   and resid 459   and name HA1 ))
 ASSI { 1704}
   (( segid W   and resid 491   and name HD2 ))
   (( segid W   and resid 461   and name HA ))
      2.000     1.000     1.000 peak  1704 weight  0.10000E+01 volume  0.11281E-01 ppm1      2.753 ppm2      4.100 CV     1
 OR { 1704}
   (( segid W   and resid 462   and name HD2 ))
   (( segid W   and resid 461   and name HA ))
 OR { 1704}
   (( segid W   and resid 491   and name HD1 ))
   (( segid W   and resid 461   and name HA ))
 ASSI { 1806}
   (( segid W   and resid 468   and name HB2 ))
   ( segid W   and resid 478   and name HD1%) 
      3.200     3.200     2.800 peak  1806 weight  0.10000E+01 volume  0.42982E-02 ppm1      0.939 ppm2      0.511 CV     1
 OR { 1806}
   (( segid W   and resid 483   and name HG1 ))
   ( segid W   and resid 478   and name HD1%) 
 ASSI { 1897}
   (( segid W   and resid 475   and name HB ))
   ( segid W   and resid 475   and name HG2%) 
      2.300     1.000     1.000 peak  1897 weight  0.10000E+01 volume  0.11057E-01 ppm1      1.933 ppm2      0.717 CV     1
 OR { 1897}
   (( segid W   and resid 467   and name HG1 ))
   ( segid W   and resid 475   and name HG2%) 
 ASSI { 1911}
   ( segid W   and resid 475   and name HG2%) 
   (( segid W   and resid 476   and name HA ))
      3.900     2.200     2.100 peak  1911 weight  0.10000E+01 volume  0.10330E-02 ppm1      0.728 ppm2      5.159 CV     1
 OR { 1911}
   (( segid B   and resid 615   and name HB2 ))
   (( segid W   and resid 476   and name HA ))
 ASSI { 1944}
   (( segid W   and resid 478   and name HB ))
   ( segid W   and resid 485   and name HG2%) 
      4.800     2.500     1.200 peak  1944 weight  0.10000E+01 volume  0.68661E-03 ppm1      1.499 ppm2      1.197 CV     1
 OR { 1944}
   (( segid W   and resid 484   and name HB1 ))
   ( segid W   and resid 485   and name HG2%) 
 ASSI { 2026}
   (( segid W   and resid 478   and name HG12)) 
   (( segid W   and resid 483   and name HB1 ))
      2.600     2.600     3.400 peak  2026 weight  0.10000E+01 volume  0.21598E-01 ppm1      0.728 ppm2      1.841 CV     1
 OR { 2026}
   ( segid W   and resid 482   and name HG2%) 
   (( segid W   and resid 483   and name HB1 ))
 OR { 2026}
   (( segid W   and resid 482   and name HG12)) 
   (( segid W   and resid 483   and name HB1 ))
 ASSI { 2044}
   (( segid W   and resid 482   and name HB ))
   (( segid W   and resid 484   and name HG1 ))
      5.200     3.700     0.800 peak  2044 weight  0.10000E+01 volume  0.17795E-03 ppm1      1.933 ppm2      1.386 CV     1
 OR { 2044}
   (( segid B   and resid 614   and name HB2 ))
   (( segid W   and resid 484   and name HG1 ))
 OR { 2044}
   (( segid W   and resid 482   and name HB ))
   (( segid W   and resid 484   and name HG2 ))
 ASSI { 2053}
   (( segid W   and resid 491   and name HD2 ))
   ( segid W   and resid 458   and name HD1%) 
      4.300     2.100     1.700 peak  2053 weight  0.10000E+01 volume  0.12105E-02 ppm1      2.748 ppm2      0.857 CV     1
 OR { 2053}
   (( segid W   and resid 462   and name HD2 ))
   ( segid W   and resid 458   and name HD1%) 
 OR { 2053}
   (( segid W   and resid 491   and name HD1 ))
   ( segid W   and resid 458   and name HD1%) 
 ASSI { 2084}
   (( segid W   and resid 484   and name HB1 ))
   (( segid W   and resid 482   and name HG12)) 
      4.300     1.800     1.700 peak  2084 weight  0.10000E+01 volume  0.17662E-02 ppm1      1.490 ppm2      0.743 CV     1
 OR { 2084}
   (( segid W   and resid 483   and name HD1 ))
   (( segid W   and resid 482   and name HG12)) 
 ASSI { 2106}
   (( segid W   and resid 486   and name HE21)) 
   (( segid W   and resid 490   and name HG2 ))
      4.600     2.200     1.400 peak  2106 weight  0.10000E+01 volume  0.97827E-03 ppm1      7.119 ppm2      0.092 CV     1
 OR { 2106}
   (( segid W   and resid 465   and name HH2 ))
   (( segid W   and resid 490   and name HG2 ))
 ASSI { 2114}
   (( segid W   and resid 489   and name HA ))
   (( segid W   and resid 490   and name HG2 ))
      4.500     1.900     1.500 peak  2114 weight  0.10000E+01 volume  0.16888E-02 ppm1      2.907 ppm2      0.096 CV     1
 OR { 2114}
   (( segid W   and resid 486   and name HG1 ))
   (( segid W   and resid 490   and name HG2 ))
 ASSI { 2116}
   (( segid W   and resid 462   and name HG1 ))
   (( segid W   and resid 490   and name HG2 ))
      4.400     2.500     1.600 peak  2116 weight  0.10000E+01 volume  0.64448E-03 ppm1      1.745 ppm2      0.091 CV     1
 OR { 2116}
   (( segid W   and resid 491   and name HG1 ))
   (( segid W   and resid 490   and name HG2 ))
 ASSI { 2178}
   (( segid W   and resid 465   and name HD1 ))
   (( segid W   and resid 462   and name HG1 ))
      4.500     1.900     1.500 peak  2178 weight  0.10000E+01 volume  0.15163E-02 ppm1      7.093 ppm2      1.738 CV     1
 OR { 2178}
   ( segid W   and resid 477   and name HD% )
   (( segid W   and resid 491   and name HG1 ))
 ASSI { 2184}
   (( segid W   and resid 462   and name HD1 ))
   (( segid W   and resid 462   and name HG1 ))
      2.300     1.300     1.300 peak  2184 weight  0.10000E+01 volume  0.48808E-02 ppm1      3.314 ppm2      1.737 CV     1
 OR { 2184}
   (( segid W   and resid 462   and name HD1 ))
   (( segid W   and resid 491   and name HG1 ))
 ASSI { 2222}
   (( segid W   and resid 491   and name HD2 ))
   (( segid W   and resid 458   and name HG ))
      5.000     2.500     1.000 peak  2222 weight  0.10000E+01 volume  0.62632E-03 ppm1      2.758 ppm2      1.599 CV     1
 OR { 2222}
   (( segid W   and resid 491   and name HD1 ))
   (( segid W   and resid 458   and name HG ))
 OR { 2222}
   (( segid W   and resid 462   and name HD2 ))
   (( segid W   and resid 458   and name HG ))
 ASSI { 2305}
   (( segid B   and resid 619   and name HB2 ))
   (( segid W   and resid 483   and name HB1 ))
      5.800     4.000     0.200 peak  2305 weight  0.10000E+01 volume  0.14565E-03 ppm1      2.758 ppm2      1.837 CV     1
 OR { 2305}
   (( segid B   and resid 617   and name HB1 ))
   (( segid W   and resid 483   and name HB1 ))
 OR { 2305}
   (( segid B   and resid 617   and name HB2 ))
   (( segid W   and resid 483   and name HB1 ))
 ASSI { 2361}
   (( segid W   and resid 491   and name HD2 ))
   (( segid W   and resid 491   and name HB1 ))
      2.800     1.500     1.500 peak  2361 weight  0.10000E+01 volume  0.34808E-02 ppm1      2.752 ppm2      1.587 CV     1
 OR { 2361}
   (( segid W   and resid 462   and name HD2 ))
   (( segid W   and resid 491   and name HB1 ))
 OR { 2361}
   (( segid W   and resid 491   and name HD1 ))
   (( segid W   and resid 491   and name HB1 ))
 ASSI { 2369}
   (( segid W   and resid 486   and name HE21)) 
   (( segid W   and resid 490   and name HB1 ))
      3.200     1.900     1.900 peak  2369 weight  0.10000E+01 volume  0.15304E-02 ppm1      7.127 ppm2      0.898 CV     1
 OR { 2369}
   (( segid W   and resid 465   and name HH2 ))
   (( segid W   and resid 490   and name HB2 ))
 OR { 2369}
   (( segid W   and resid 486   and name HE21)) 
   (( segid W   and resid 490   and name HB2 ))
 ASSI { 2384}
   (( segid W   and resid 462   and name HG1 ))
   (( segid W   and resid 490   and name HB2 ))
      5.000     2.800     1.000 peak  2384 weight  0.10000E+01 volume  0.43245E-03 ppm1      1.738 ppm2      0.886 CV     1
 OR { 2384}
   (( segid W   and resid 462   and name HG1 ))
   (( segid W   and resid 490   and name HB1 ))
 OR { 2384}
   (( segid W   and resid 491   and name HG1 ))
   (( segid W   and resid 490   and name HB1 ))
 ASSI { 2392}
   (( segid W   and resid 486   and name HE21)) 
   (( segid W   and resid 486   and name HG1 ))
      3.800     3.800     2.200 peak  2392 weight  0.10000E+01 volume  0.23179E-02 ppm1      7.126 ppm2      2.922 CV     1
 OR { 2392}
   (( segid W   and resid 465   and name HH2 ))
   (( segid W   and resid 486   and name HG1 ))
 ASSI { 2402}
   (( segid W   and resid 465   and name HH2 ))
   (( segid W   and resid 486   and name HG2 ))
      2.600     1.500     1.500 peak  2402 weight  0.10000E+01 volume  0.32421E-02 ppm1      7.125 ppm2      2.408 CV     1
 OR { 2402}
   (( segid W   and resid 486   and name HE21)) 
   (( segid W   and resid 486   and name HG2 ))
 ASSI { 2405}
   (( segid W   and resid 465   and name HH2 ))
   (( segid W   and resid 486   and name HB1 ))
      4.400     2.300     1.600 peak  2405 weight  0.10000E+01 volume  0.82508E-03 ppm1      7.131 ppm2      2.553 CV     1
 OR { 2405}
   (( segid W   and resid 486   and name HE21)) 
   (( segid W   and resid 486   and name HB1 ))
 OR { 2405}
   (( segid W   and resid 465   and name HH2 ))
   (( segid W   and resid 486   and name HB2 ))
 ASSI { 2562}
   (( segid W   and resid 486   and name HG2 ))
   (( segid W   and resid 478   and name HB ))
      5.200     2.800     0.800 peak  2562 weight  0.10000E+01 volume  0.45261E-03 ppm1      2.406 ppm2      1.493 CV     1
 OR { 2562}
   (( segid W   and resid 466   and name HG1 ))
   (( segid W   and resid 478   and name HB ))
 ASSI { 2579}
   (( segid W   and resid 478   and name HA ))
   (( segid W   and resid 479   and name HB2 ))
      5.500     3.000     0.500 peak  2579 weight  0.10000E+01 volume  0.35528E-03 ppm1      4.337 ppm2      2.074 CV     1
 OR { 2579}
   (( segid W   and resid 482   and name HA ))
   (( segid W   and resid 479   and name HB2 ))
 ASSI { 2590}
   (( segid W   and resid 465   and name HZ2 ))
   (( segid W   and resid 479   and name HB1 ))
      3.700     2.000     2.000 peak  2590 weight  0.10000E+01 volume  0.13711E-02 ppm1      7.479 ppm2      0.114 CV     1
 OR { 2590}
   (( segid W   and resid 481   and name HD22)) 
   (( segid W   and resid 479   and name HB1 ))
 ASSI { 2600}
   (( segid W   and resid 484   and name HB1 ))
   (( segid W   and resid 479   and name HB1 ))
      4.600     3.100     1.400 peak  2600 weight  0.10000E+01 volume  0.31597E-03 ppm1      1.491 ppm2      0.111 CV     1
 OR { 2600}
   (( segid W   and resid 478   and name HB ))
   (( segid W   and resid 479   and name HB1 ))
 ASSI { 2602}
   (( segid W   and resid 482   and name HG12)) 
   (( segid W   and resid 479   and name HB1 ))
      4.300     1.800     1.700 peak  2602 weight  0.10000E+01 volume  0.18616E-02 ppm1      0.731 ppm2      0.113 CV     1
 OR { 2602}
   (( segid W   and resid 478   and name HG12)) 
   (( segid W   and resid 479   and name HB1 ))
 OR { 2602}
   ( segid W   and resid 482   and name HD1%) 
   (( segid W   and resid 479   and name HB1 ))
 ASSI { 2709}
   ( segid W   and resid 458   and name HD1%) 
   (( segid W   and resid 456   and name HB1 ))
      5.300     4.000     0.700 peak  2709 weight  0.10000E+01 volume  0.14534E-03 ppm1      0.849 ppm2      2.812 CV     1
 OR { 2709}
   ( segid W   and resid 458   and name HD1%) 
   (( segid W   and resid 456   and name HB2 ))
 OR { 2709}
   ( segid W   and resid 458   and name HD1%) 
   (( segid W   and resid 494   and name HB2 ))
 ASSI { 2710}
   (( segid W   and resid 493   and name HA ))
   (( segid W   and resid 494   and name HB2 ))
      6.000     4.600     0.000 peak  2710 weight  0.10000E+01 volume  0.92610E-04 ppm1      4.245 ppm2      2.803 CV     1
 OR { 2710}
   (( segid W   and resid 458   and name HA ))
   (( segid W   and resid 456   and name HB1 ))
 OR { 2710}
   (( segid W   and resid 458   and name HA ))
   (( segid W   and resid 456   and name HB2 ))
 ASSI { 2711}
   (( segid W   and resid 456   and name HA ))
   (( segid W   and resid 456   and name HB1 ))
      2.600     1.300     1.300 peak  2711 weight  0.10000E+01 volume  0.59571E-02 ppm1      4.684 ppm2      2.805 CV     1
 OR { 2711}
   (( segid W   and resid 494   and name HA ))
   (( segid W   and resid 494   and name HB2 ))
 OR { 2711}
   (( segid W   and resid 456   and name HA ))
   (( segid W   and resid 456   and name HB2 ))
 ASSI { 2727}
   (( segid W   and resid 491   and name HD2 ))
   (( segid W   and resid 458   and name HB1 ))
      3.700     1.900     1.900 peak  2727 weight  0.10000E+01 volume  0.16027E-02 ppm1      2.753 ppm2      1.627 CV     1
 OR { 2727}
   (( segid W   and resid 462   and name HD2 ))
   (( segid W   and resid 458   and name HB1 ))
 OR { 2727}
   (( segid W   and resid 491   and name HD1 ))
   (( segid W   and resid 458   and name HB1 ))
 ASSI { 2751}
   (( segid W   and resid 462   and name HD2 ))
   (( segid W   and resid 461   and name HB1 ))
      2.600     1.800     1.800 peak  2751 weight  0.10000E+01 volume  0.17539E-02 ppm1      2.760 ppm2      1.801 CV     1
 OR { 2751}
   (( segid W   and resid 491   and name HD2 ))
   (( segid W   and resid 461   and name HB1 ))
 ASSI { 2760}
   (( segid W   and resid 462   and name HD2 ))
   (( segid W   and resid 461   and name HB2 ))
      3.200     1.400     1.400 peak  2760 weight  0.10000E+01 volume  0.41539E-02 ppm1      2.755 ppm2      1.432 CV     1
 OR { 2760}
   (( segid W   and resid 491   and name HD2 ))
   (( segid W   and resid 461   and name HB2 ))
 ASSI { 2764}
   (( segid W   and resid 462   and name HA ))
   (( segid W   and resid 461   and name HB2 ))
      4.900     3.100     1.100 peak  2764 weight  0.10000E+01 volume  0.34175E-03 ppm1      4.778 ppm2      1.429 CV     1
 OR { 2764}
   (( segid W   and resid 467   and name HA ))
   (( segid W   and resid 461   and name HB2 ))
 ASSI { 2770}
   (( segid W   and resid 491   and name HD2 ))
   (( segid W   and resid 461   and name HG ))
      4.300     1.800     1.700 peak  2770 weight  0.10000E+01 volume  0.17557E-02 ppm1      2.756 ppm2      1.830 CV     1
 OR { 2770}
   (( segid W   and resid 462   and name HD2 ))
   (( segid W   and resid 461   and name HG ))
 OR { 2770}
   (( segid W   and resid 491   and name HD1 ))
   (( segid W   and resid 461   and name HG ))
 ASSI { 2785}
   (( segid W   and resid 486   and name HA ))
   (( segid W   and resid 486   and name HG2 ))
      3.000     1.200     1.200 peak  2785 weight  0.10000E+01 volume  0.63266E-02 ppm1      4.800 ppm2      2.410 CV     1
 OR { 2785}
   (( segid W   and resid 462   and name HA ))
   (( segid W   and resid 463   and name HB1 ))
 ASSI { 2815}
   (( segid W   and resid 465   and name HE3 ))
   (( segid W   and resid 479   and name HA ))
      4.100     2.200     1.900 peak  2815 weight  0.10000E+01 volume  0.91248E-03 ppm1      7.472 ppm2      3.957 CV     1
 OR { 2815}
   (( segid W   and resid 481   and name HD22)) 
   (( segid W   and resid 479   and name HA ))
 ASSI { 2823}
   (( segid W   and resid 478   and name HG12)) 
   (( segid W   and resid 479   and name HA ))
      4.200     2.500     1.800 peak  2823 weight  0.10000E+01 volume  0.64825E-03 ppm1      0.726 ppm2      3.956 CV     1
 OR { 2823}
   (( segid W   and resid 482   and name HG12)) 
   (( segid W   and resid 479   and name HA ))
 OR { 2823}
   ( segid W   and resid 482   and name HD1%) 
   (( segid W   and resid 479   and name HA ))
 ASSI { 2835}
   (( segid W   and resid 480   and name HN ))
   (( segid W   and resid 465   and name HB2 ))
      5.500     3.000     0.500 peak  2835 weight  0.10000E+01 volume  0.36869E-03 ppm1      8.699 ppm2      3.129 CV     1
 OR { 2835}
   (( segid W   and resid 461   and name HN ))
   (( segid W   and resid 465   and name HB2 ))
 ASSI { 2841}
   (( segid W   and resid 479   and name HA ))
   (( segid W   and resid 465   and name HB2 ))
      5.300     3.000     0.700 peak  2841 weight  0.10000E+01 volume  0.35886E-03 ppm1      3.939 ppm2      3.144 CV     1
 OR { 2841}
   (( segid W   and resid 463   and name HD1 ))
   (( segid W   and resid 465   and name HB2 ))
 ASSI { 2871}
   (( segid W   and resid 462   and name HD2 ))
   (( segid W   and resid 465   and name HZ2 ))
      6.000     6.000     0.000 peak  2871 weight  0.10000E+01 volume  0.20453E-04 ppm1      2.752 ppm2      7.493 CV     1
 OR { 2871}
   (( segid W   and resid 462   and name HD2 ))
   (( segid W   and resid 481   and name HD22)) 
 ASSI { 2883}
   (( segid W   and resid 490   and name HA ))
   (( segid W   and resid 465   and name HH2 ))
      5.500     3.400     0.500 peak  2883 weight  0.10000E+01 volume  0.24665E-03 ppm1      3.973 ppm2      7.121 CV     1
 OR { 2883}
   (( segid W   and resid 479   and name HA ))
   (( segid W   and resid 465   and name HH2 ))
 ASSI { 2891}
   (( segid W   and resid 462   and name HG2 ))
   (( segid W   and resid 465   and name HH2 ))
      5.900     4.200     0.100 peak  2891 weight  0.10000E+01 volume  0.11978E-03 ppm1      1.377 ppm2      7.120 CV     1
 OR { 2891}
   (( segid W   and resid 484   and name HG2 ))
   (( segid W   and resid 465   and name HH2 ))
 OR { 2891}
   (( segid W   and resid 484   and name HG1 ))
   (( segid W   and resid 465   and name HH2 ))
 ASSI { 2892}
   (( segid W   and resid 479   and name HB1 ))
   (( segid W   and resid 465   and name HH2 ))
      3.600     2.100     2.100 peak  2892 weight  0.10000E+01 volume  0.11485E-02 ppm1      0.101 ppm2      7.128 CV     1
 OR { 2892}
   (( segid W   and resid 490   and name HG2 ))
   (( segid W   and resid 465   and name HH2 ))
 ASSI { 2909}
   (( segid W   and resid 465   and name HH2 ))
   (( segid W   and resid 465   and name HE3 ))
      3.900     1.900     1.900 peak  2909 weight  0.10000E+01 volume  0.16955E-02 ppm1      7.125 ppm2      7.466 CV     1
 OR { 2909}
   (( segid W   and resid 486   and name HE21)) 
   (( segid W   and resid 465   and name HE3 ))
 ASSI { 2921}
   (( segid W   and resid 467   and name HB1 ))
   (( segid W   and resid 465   and name HE3 ))
      6.000     4.600     0.000 peak  2921 weight  0.10000E+01 volume  0.96390E-04 ppm1      1.845 ppm2      7.474 CV     1
 OR { 2921}
   (( segid W   and resid 461   and name HG ))
   (( segid W   and resid 465   and name HE3 ))
 OR { 2921}
   (( segid W   and resid 467   and name HB2 ))
   (( segid W   and resid 465   and name HE3 ))
 ASSI { 2975}
   (( segid W   and resid 469   and name HN ))
   (( segid W   and resid 470   and name HA ))
      6.000     5.000     0.000 peak  2975 weight  0.10000E+01 volume  0.73850E-04 ppm1      8.213 ppm2      5.254 CV     1
 OR { 2975}
   (( segid W   and resid 474   and name HN ))
   (( segid W   and resid 470   and name HA ))
 ASSI { 3046}
   (( segid W   and resid 462   and name HD2 ))
   (( segid W   and resid 462   and name HD1 ))
      1.500     0.900     0.900 peak  3046 weight  0.10000E+01 volume  0.19682E-01 ppm1      2.757 ppm2      3.314 CV     1
 OR { 3046}
   (( segid W   and resid 491   and name HD2 ))
   (( segid W   and resid 462   and name HD1 ))
 ASSI { 3054}
   (( segid W   and resid 469   and name HB ))
   (( segid W   and resid 473   and name HA2 ))
      4.100     3.000     1.900 peak  3054 weight  0.10000E+01 volume  0.37379E-03 ppm1      3.955 ppm2      3.558 CV     1
 OR { 3054}
   (( segid W   and resid 470   and name HB2 ))
   (( segid W   and resid 473   and name HA2 ))
 ASSI { 3106}
   (( segid W   and resid 486   and name HA ))
   (( segid W   and resid 476   and name HB2 ))
      5.900     4.100     0.100 peak  3106 weight  0.10000E+01 volume  0.13543E-03 ppm1      4.805 ppm2      3.152 CV     1
 OR { 3106}
   (( segid W   and resid 475   and name HA ))
   (( segid W   and resid 476   and name HB2 ))
 ASSI { 3134}
   (( segid W   and resid 487   and name HD1 ))
   (( segid W   and resid 476   and name HB1 ))
      5.600     3.300     0.400 peak  3134 weight  0.10000E+01 volume  0.26062E-03 ppm1      7.448 ppm2      2.512 CV     1
 OR { 3134}
   (( segid W   and resid 472   and name HN ))
   (( segid W   and resid 476   and name HB1 ))
 OR { 3134}
   (( segid W   and resid 465   and name HE3 ))
   (( segid W   and resid 476   and name HB1 ))
 ASSI { 3215}
   (( segid W   and resid 486   and name HE22)) 
   ( segid W   and resid 477   and name HD% )
      4.100     2.700     1.900 peak  3215 weight  0.10000E+01 volume  0.50843E-03 ppm1      8.314 ppm2      7.079 CV     1
 OR { 3215}
   (( segid W   and resid 487   and name HE3 ))
   ( segid W   and resid 477   and name HD% )
 ASSI { 3229}
   (( segid W   and resid 467   and name HA ))
   (( segid W   and resid 478   and name HB ))
      4.300     2.600     1.700 peak  3229 weight  0.10000E+01 volume  0.58781E-03 ppm1      4.775 ppm2      1.501 CV     1
 OR { 3229}
   (( segid W   and resid 486   and name HA ))
   (( segid W   and resid 478   and name HB ))
 ASSI { 3230}
   (( segid W   and resid 479   and name HA ))
   (( segid W   and resid 478   and name HB ))
      6.000     3.700     0.000 peak  3230 weight  0.10000E+01 volume  0.19213E-03 ppm1      3.952 ppm2      1.496 CV     1
 OR { 3230}
   (( segid W   and resid 470   and name HB2 ))
   (( segid W   and resid 478   and name HB ))
 ASSI { 3269}
   (( segid W   and resid 483   and name HD2 ))
   (( segid W   and resid 481   and name HB1 ))
      3.700     3.000     2.300 peak  3269 weight  0.10000E+01 volume  0.35459E-03 ppm1      1.482 ppm2      2.949 CV     1
 OR { 3269}
   (( segid W   and resid 483   and name HD1 ))
   (( segid W   and resid 481   and name HB1 ))
 OR { 3269}
   (( segid W   and resid 478   and name HB ))
   (( segid W   and resid 481   and name HB1 ))
 ASSI { 3357}
   (( segid W   and resid 472   and name HN ))
   (( segid W   and resid 487   and name HZ2 ))
      5.900     3.400     0.100 peak  3357 weight  0.10000E+01 volume  0.23844E-03 ppm1      7.443 ppm2      7.071 CV     1
 OR { 3357}
   (( segid W   and resid 487   and name HD1 ))
   (( segid W   and resid 487   and name HZ2 ))
 ASSI { 3446}
   (( segid W   and resid 491   and name HG1 ))
   (( segid W   and resid 489   and name HB2 ))
      5.400     3.200     0.600 peak  3446 weight  0.10000E+01 volume  0.29868E-03 ppm1      1.741 ppm2      2.266 CV     1
 OR { 3446}
   (( segid W   and resid 488   and name HB2 ))
   (( segid W   and resid 489   and name HB2 ))
 ASSI { 3465}
   (( segid W   and resid 491   and name HG1 ))
   (( segid W   and resid 490   and name HA ))
      5.100     2.900     0.900 peak  3465 weight  0.10000E+01 volume  0.42142E-03 ppm1      1.730 ppm2      4.000 CV     1
 OR { 3465}
   (( segid W   and resid 488   and name HB2 ))
   (( segid W   and resid 490   and name HA ))
 ASSI { 3481}
   (( segid W   and resid 481   and name HA ))
   (( segid W   and resid 483   and name HA ))
      6.000     4.000     0.000 peak  3481 weight  0.10000E+01 volume  0.14158E-03 ppm1      4.382 ppm2      2.317 CV     1
 OR { 3481}
   (( segid B   and resid 617   and name HA ))
   (( segid W   and resid 483   and name HA ))
 ASSI { 3510}
   (( segid W   and resid 491   and name HB1 ))
   (( segid W   and resid 492   and name HA ))
      5.000     3.200     1.000 peak  3510 weight  0.10000E+01 volume  0.30195E-03 ppm1      1.591 ppm2      4.388 CV     1
 OR { 3510}
   (( segid W   and resid 458   and name HG ))
   (( segid W   and resid 492   and name HA ))
 ASSI { 3529}
   (( segid W   and resid 481   and name HD22)) 
   (( segid W   and resid 462   and name HB2 ))
      5.800     3.700     0.200 peak  3529 weight  0.10000E+01 volume  0.18888E-03 ppm1      7.486 ppm2      1.959 CV     1
 OR { 3529}
   (( segid W   and resid 465   and name HZ2 ))
   (( segid W   and resid 462   and name HB2 ))
 ASSI { 3564}
   (( segid W   and resid 462   and name HD2 ))
   (( segid W   and resid 462   and name HG2 ))
      2.300     1.400     1.400 peak  3564 weight  0.10000E+01 volume  0.41552E-02 ppm1      2.756 ppm2      1.366 CV     1
 OR { 3564}
   (( segid W   and resid 491   and name HD2 ))
   (( segid W   and resid 462   and name HG2 ))
 ASSI { 3567}
   (( segid W   and resid 491   and name HA ))
   (( segid W   and resid 462   and name HG2 ))
      4.700     2.700     1.300 peak  3567 weight  0.10000E+01 volume  0.50867E-03 ppm1      3.922 ppm2      1.357 CV     1
 OR { 3567}
   (( segid W   and resid 463   and name HD1 ))
   (( segid W   and resid 462   and name HG2 ))
 ASSI { 3677}
   (( segid W   and resid 465   and name HD1 ))
   (( segid W   and resid 465   and name HB1 ))
      3.600     1.800     1.800 peak  3677 weight  0.10000E+01 volume  0.18027E-02 ppm1      7.093 ppm2      3.367 CV     1
 OR { 3677}
   (( segid W   and resid 487   and name HZ2 ))
   (( segid W   and resid 470   and name HB1 ))
 ASSI {   60}
   (( segid B   and resid 615   and name HB2 ))
   (( segid B   and resid 617   and name HN ))
      6.000     6.000     0.000 peak    60 weight  0.10000E+01 volume  0.24070E-04 ppm1      0.729 ppm2      8.345 CV     1
 OR {   60}
   (( segid W   and resid 478   and name HG12)) 
   (( segid B   and resid 617   and name HN ))
 ASSI {   65}
   (( segid B   and resid 621   and name HN ))
   (( segid B   and resid 619   and name HN ))
      5.500     3.900     0.500 peak    65 weight  0.10000E+01 volume  0.15091E-03 ppm1      6.998 ppm2      8.342 CV     1
 OR {   65}
   (( segid B   and resid 617   and name HD21)) 
   (( segid B   and resid 619   and name HN ))
 ASSI {  162}
   ( segid B   and resid 621   and name HD2%) 
   (( segid B   and resid 616   and name HG2 ))
      4.900     2.300     1.100 peak   162 weight  0.10000E+01 volume  0.78241E-03 ppm1      0.727 ppm2      1.097 CV     1
 OR {  162}
   (( segid B   and resid 615   and name HB2 ))
   (( segid B   and resid 616   and name HG2 ))
 ASSI {  171}
   ( segid B   and resid 621   and name HD2%) 
   (( segid B   and resid 616   and name HG1 ))
      3.900     2.200     2.100 peak   171 weight  0.10000E+01 volume  0.90986E-03 ppm1      0.729 ppm2      0.964 CV     1
 OR {  171}
   (( segid B   and resid 615   and name HB2 ))
   (( segid B   and resid 616   and name HG1 ))
 ASSI {  201}
   (( segid B   and resid 611   and name HA ))
   (( segid B   and resid 611   and name HG1 ))
      4.500     2.000     1.500 peak   201 weight  0.10000E+01 volume  0.12481E-02 ppm1      4.340 ppm2      1.730 CV     1
 OR {  201}
   (( segid B   and resid 610   and name HA ))
   (( segid B   and resid 611   and name HG1 ))
 ASSI {  244}
   ( segid B   and resid 610   and name HG2%) 
   (( segid B   and resid 611   and name HD2 ))
      3.800     1.800     1.800 peak   244 weight  0.10000E+01 volume  0.17337E-02 ppm1      0.941 ppm2      3.311 CV     1
 OR {  244}
   ( segid B   and resid 608   and name HD2%) 
   (( segid B   and resid 611   and name HD2 ))
 ASSI {  245}
   ( segid B   and resid 608   and name HD2%) 
   (( segid B   and resid 611   and name HG2 ))
      4.100     4.100     1.900 peak   245 weight  0.10000E+01 volume  0.19254E-02 ppm1      0.943 ppm2      1.673 CV     1
 OR {  245}
   ( segid B   and resid 610   and name HG2%) 
   (( segid B   and resid 611   and name HG2 ))
 ASSI {  315}
   (( segid B   and resid 615   and name HA ))
   (( segid B   and resid 615   and name HD1 ))
      5.700     4.900     0.300 peak   315 weight  0.10000E+01 volume  0.74472E-04 ppm1      3.732 ppm2      3.063 CV     1
 OR {  315}
   (( segid B   and resid 614   and name HD2 ))
   (( segid B   and resid 615   and name HD1 ))
 ASSI {  366}
   (( segid B   and resid 616   and name HG1 ))
   ( segid B   and resid 621   and name HD2%) 
      3.500     3.500     2.500 peak   366 weight  0.10000E+01 volume  0.13150E-02 ppm1      0.950 ppm2      0.732 CV     1
 OR {  366}
   (( segid W   and resid 468   and name HB2 ))
   ( segid B   and resid 621   and name HD2%) 
 ASSI {  463}
   (( segid B   and resid 620   and name HB2 ))
   (( segid B   and resid 617   and name HB1 ))
      3.100     1.600     1.600 peak   463 weight  0.10000E+01 volume  0.26648E-02 ppm1      3.868 ppm2      2.779 CV     1
 OR {  463}
   (( segid B   and resid 620   and name HB2 ))
   (( segid B   and resid 617   and name HB2 ))
 OR {  463}
   (( segid B   and resid 616   and name HA ))
   (( segid B   and resid 617   and name HB2 ))
 ASSI {  465}
   (( segid B   and resid 617   and name HD21)) 
   (( segid B   and resid 617   and name HB2 ))
      3.800     2.500     2.200 peak   465 weight  0.10000E+01 volume  0.63671E-03 ppm1      7.006 ppm2      2.760 CV     1
 OR {  465}
   (( segid B   and resid 617   and name HD21)) 
   (( segid B   and resid 617   and name HB1 ))
 OR {  465}
   (( segid B   and resid 621   and name HN ))
   (( segid B   and resid 617   and name HB1 ))
 ASSI {  520}
   (( segid B   and resid 616   and name HD1 ))
   (( segid B   and resid 616   and name HB2 ))
      2.900     1.600     1.600 peak   520 weight  0.10000E+01 volume  0.26217E-02 ppm1      1.341 ppm2      1.078 CV     1
 OR {  520}
   (( segid B   and resid 621   and name HB2 ))
   (( segid B   and resid 616   and name HB2 ))
 ASSI {  583}
   (( segid B   and resid 621   and name HA ))
   (( segid B   and resid 618   and name HA ))
      5.000     2.600     1.000 peak   583 weight  0.10000E+01 volume  0.57440E-03 ppm1      3.957 ppm2      3.556 CV     1
 OR {  583}
   (( segid B   and resid 620   and name HB1 ))
   (( segid B   and resid 618   and name HA ))
 ASSI {  587}
   (( segid W   and resid 478   and name HG12)) 
   (( segid B   and resid 618   and name HA ))
      4.500     2.100     1.500 peak   587 weight  0.10000E+01 volume  0.11662E-02 ppm1      0.729 ppm2      3.560 CV     1
 OR {  587}
   ( segid B   and resid 621   and name HD2%) 
   (( segid B   and resid 618   and name HA ))
 ASSI {  614}
   (( segid B   and resid 617   and name HN ))
   (( segid B   and resid 620   and name HB2 ))
      4.000     2.600     2.000 peak   614 weight  0.10000E+01 volume  0.56619E-03 ppm1      8.342 ppm2      3.869 CV     1
 OR {  614}
   (( segid B   and resid 619   and name HN ))
   (( segid B   and resid 620   and name HB2 ))
 ASSI {  629}
   (( segid B   and resid 617   and name HN ))
   (( segid B   and resid 620   and name HB1 ))
      4.700     3.000     1.300 peak   629 weight  0.10000E+01 volume  0.35695E-03 ppm1      8.343 ppm2      3.948 CV     1
 OR {  629}
   (( segid B   and resid 619   and name HN ))
   (( segid B   and resid 620   and name HB1 ))
 ASSI {  641}
   (( segid B   and resid 611   and name HA ))
   (( segid B   and resid 612   and name HA1 ))
      4.900     3.100     1.100 peak   641 weight  0.10000E+01 volume  0.31026E-03 ppm1      4.346 ppm2      4.043 CV     1
 OR {  641}
   (( segid B   and resid 610   and name HA ))
   (( segid B   and resid 612   and name HA1 ))
 ASSI {  670}
   ( segid B   and resid 608   and name HD2%) 
   (( segid B   and resid 611   and name HD1 ))
      3.600     2.200     2.200 peak   670 weight  0.10000E+01 volume  0.10162E-02 ppm1      0.943 ppm2      3.739 CV     1
 OR {  670}
   ( segid B   and resid 610   and name HG2%) 
   (( segid B   and resid 611   and name HD1 ))
 ASSI {  678}
   (( segid B   and resid 608   and name HB2 ))
   (( segid B   and resid 609   and name HD2 ))
      4.900     2.400     1.100 peak   678 weight  0.10000E+01 volume  0.75590E-03 ppm1      1.546 ppm2      3.827 CV     1
 OR {  678}
   (( segid B   and resid 610   and name HG11)) 
   (( segid B   and resid 609   and name HD2 ))
 ASSI {  690}
   (( segid B   and resid 617   and name HN ))
   (( segid B   and resid 617   and name HA ))
      2.900     1.600     1.600 peak   690 weight  0.10000E+01 volume  0.26414E-02 ppm1      8.345 ppm2      4.386 CV     1
 OR {  690}
   (( segid B   and resid 619   and name HN ))
   (( segid B   and resid 617   and name HA ))
 ASSI {  693}
   (( segid B   and resid 616   and name HA ))
   (( segid B   and resid 617   and name HA ))
      4.900     3.000     1.100 peak   693 weight  0.10000E+01 volume  0.36467E-03 ppm1      3.858 ppm2      4.381 CV     1
 OR {  693}
   (( segid B   and resid 620   and name HB2 ))
   (( segid B   and resid 617   and name HA ))
 ASSI {  795}
   (( segid B   and resid 614   and name HD2 ))
   (( segid B   and resid 614   and name HA ))
      3.700     2.100     2.100 peak   795 weight  0.10000E+01 volume  0.11096E-02 ppm1      3.732 ppm2      4.900 CV     1
 OR {  795}
   (( segid B   and resid 615   and name HA ))
   (( segid B   and resid 614   and name HA ))
 ASSI {  852}
   (( segid B   and resid 621   and name HB1 ))
   (( segid B   and resid 619   and name HN ))
      6.000     6.000     0.000 peak   852 weight  0.10000E+01 volume  0.36644E-04 ppm1      1.493 ppm2      8.349 CV     1
 OR {  852}
   (( segid W   and resid 483   and name HD1 ))
   (( segid B   and resid 619   and name HN ))
 OR {  852}
   (( segid W   and resid 483   and name HD2 ))
   (( segid B   and resid 619   and name HN ))
 ASSI {  894}
   (( segid B   and resid 614   and name HD2 ))
   (( segid B   and resid 613   and name HN ))
      5.800     3.500     0.200 peak   894 weight  0.10000E+01 volume  0.22417E-03 ppm1      3.744 ppm2      7.783 CV     1
 OR {  894}
   (( segid B   and resid 611   and name HD1 ))
   (( segid B   and resid 613   and name HN ))
 ASSI {   85}
   (( segid B   and resid 615   and name HD1 ))
   ( segid W   and resid 485   and name HG2%) 
      3.100     3.100     2.900 peak    85 weight  0.10000E+01 volume  0.36031E-02 ppm1      3.055 ppm2      1.209 CV     1
 OR {   85}
   (( segid W   and resid 484   and name HE2 ))
   ( segid W   and resid 485   and name HG2%) 
 ASSI {  167}
   (( segid B   and resid 617   and name HD22)) 
   (( segid W   and resid 478   and name HG11)) 
      4.200     1.800     1.800 peak   167 weight  0.10000E+01 volume  0.45248E-03 ppm1      7.002 ppm2      1.347 CV     1
 OR {  167}
   (( segid B   and resid 621   and name HN ))
   (( segid W   and resid 478   and name HG11)) 
 ASSI {  180}
   (( segid W   and resid 460   and name HB2 ))
   (( segid W   and resid 466   and name HA ))
      3.000     3.000     3.000 peak   180 weight  0.10000E+01 volume  0.19171E-02 ppm1      1.965 ppm2      4.809 CV     1
 OR {  180}
   (( segid W   and resid 460   and name HG2 ))
   (( segid W   and resid 466   and name HA ))
 OR {  180}
   (( segid W   and resid 462   and name HB2 ))
   (( segid W   and resid 466   and name HA ))
 OR {  180}
   (( segid W   and resid 475   and name HB ))
   (( segid W   and resid 466   and name HA ))
 ASSI {  190}
   (( segid W   and resid 482   and name HA ))
   (( segid W   and resid 480   and name HA ))
      3.700     3.700     2.300 peak   190 weight  0.10000E+01 volume  0.11708E-02 ppm1      4.341 ppm2      4.193 CV     1
 OR {  190}
   (( segid W   and resid 478   and name HA ))
   (( segid W   and resid 480   and name HA ))
 ASSI {  240}
   (( segid W   and resid 483   and name HD2 ))
   (( segid B   and resid 618   and name HB1 ))
      4.000     1.300     1.300 peak   240 weight  0.10000E+01 volume  0.14853E-02 ppm1      1.484 ppm2      2.700 CV     1
 OR {  240}
   (( segid W   and resid 483   and name HD1 ))
   (( segid B   and resid 618   and name HB1 ))
 OR {  240}
   (( segid W   and resid 478   and name HB ))
   (( segid B   and resid 618   and name HB1 ))
 ASSI {  247}
   (( segid B   and resid 621   and name HG ))
   (( segid B   and resid 618   and name HB2 ))
      3.900     3.900     2.100 peak   247 weight  0.10000E+01 volume  0.63402E-03 ppm1      1.638 ppm2      2.840 CV     1
 OR {  247}
   (( segid W   and resid 484   and name HB2 ))
   (( segid B   and resid 618   and name HB2 ))
 ASSI {  324}
   (( segid W   and resid 487   and name HZ3 ))
   (( segid B   and resid 615   and name HG1 ))
      3.300     1.300     1.300 peak   324 weight  0.10000E+01 volume  0.12863E-02 ppm1      6.871 ppm2      1.252 CV     1
 OR {  324}
   ( segid W   and resid 476   and name HE% )
   (( segid B   and resid 615   and name HG1 ))

! distance restraints from hydrogen bonds obtained from the HNCO-TROSY experiment

assign ( resid 470 and name HN and segid W) ( resid 474 and name O and segid W)  1.8 0 0.7
assign ( resid 470 and name N and segid W) ( resid 474 and name O and segid W)  2.8 0 0.5
 
assign ( resid 478 and name HN and segid W) ( resid 466 and name O and segid W)  1.8 0 0.7
assign ( resid 478 and name N and segid W) ( resid 466 and name O and segid W)  2.8 0 0.5
 
assign ( resid 466 and name HN and segid W) ( resid 478 and name O and segid W)  1.8 0 0.7
assign ( resid 466 and name N and segid W) ( resid 478 and name O and segid W)  2.8 0 0.5
 
assign ( resid 476 and name HN and segid W) ( resid 468 and name O and segid W)  1.8 0 0.7
assign ( resid 476 and name N and segid W) ( resid 468 and name O and segid W)  2.8 0 0.5
 
assign ( resid 477 and name HN and segid W) ( resid 486 and name O and segid W)  1.8 0 0.7
assign ( resid 477 and name N and segid W) ( resid 486 and name O and segid W)  2.8 0 0.5
 
assign ( resid 479 and name HN and segid W) ( resid 484 and name O and segid W)  1.8 0 0.7
assign ( resid 479 and name N and segid W) ( resid 484 and name O and segid W)  2.8 0 0.5
 
assign ( resid 468 and name HN and segid W) ( resid 476 and name O and segid W)  1.8 0 0.7
assign ( resid 468 and name N and segid W) ( resid 476 and name O and segid W)  2.8 0 0.5

!backbone dihedral restraints from TALOS database
! Residue W 465 DATABASE
assign (segid W and resid 464 and name C  )(segid W and resid 465 and name N  )
       (segid W and resid 465 and name CA )(segid W and resid 465 and name C  ) 1.0 -124.00 42.00 2
assign (segid W and resid 465 and name N  )(segid W and resid 465 and name CA )
       (segid W and resid 465 and name C  )(segid W and resid 466 and name N  ) 1.0 145.00 26.00 2

! Residue E 467 DATABASE
assign (segid W and resid 466 and name C  )(segid W and resid 467 and name N  )
       (segid W and resid 467 and name CA )(segid W and resid 467 and name C  ) 1.0 -106.00 26.00 2
assign (segid W and resid 467 and name N  )(segid W and resid 467 and name CA )
       (segid W and resid 467 and name C  )(segid W and resid 468 and name N  ) 1.0 129.00 26.00 2

! Residue R 468 DATABASE
assign (segid W and resid 467 and name C  )(segid W and resid 468 and name N  )
       (segid W and resid 468 and name CA )(segid W and resid 468 and name C  ) 1.0 -118.00 38.00 2
assign (segid W and resid 468 and name N  )(segid W and resid 468 and name CA )
       (segid W and resid 468 and name C  )(segid W and resid 469 and name N  ) 1.0 141.00 30.00 2

! Residue T 469 DATABASE
assign (segid W and resid 468 and name C  )(segid W and resid 469 and name N  )
       (segid W and resid 469 and name CA )(segid W and resid 469 and name C  ) 1.0 -99.00 30.00 2
assign (segid W and resid 469 and name N  )(segid W and resid 469 and name CA )
       (segid W and resid 469 and name C  )(segid W and resid 470 and name N  ) 1.0 127.00 24.00 2

! Residue H 470 DATABASE
assign (segid W and resid 469 and name C  )(segid W and resid 470 and name N  )
       (segid W and resid 470 and name CA )(segid W and resid 470 and name C  ) 1.0 -110.00 46.00 2
assign (segid W and resid 470 and name N  )(segid W and resid 470 and name CA )
       (segid W and resid 470 and name C  )(segid W and resid 471 and name N  ) 1.0 127.00 46.00 2

! Residue D 472 DATABASE
assign (segid W and resid 471 and name C  )(segid W and resid 472 and name N  )
       (segid W and resid 472 and name CA )(segid W and resid 472 and name C  ) 1.0 -86.00 24.00 2
assign (segid W and resid 472 and name N  )(segid W and resid 472 and name CA )
       (segid W and resid 472 and name C  )(segid W and resid 473 and name N  ) 1.0  3.00 20.00 2

! Residue G 473 DATABASE
assign (segid W and resid 472 and name C  )(segid W and resid 473 and name N  )
       (segid W and resid 473 and name CA )(segid W and resid 473 and name C  ) 1.0 91.00 18.00 2
assign (segid W and resid 473 and name N  )(segid W and resid 473 and name CA )
       (segid W and resid 473 and name C  )(segid W and resid 474 and name N  ) 1.0  6.00 24.00 2

! Residue V 475 DATABASE
assign (segid W and resid 474 and name C  )(segid W and resid 475 and name N  )
       (segid W and resid 475 and name CA )(segid W and resid 475 and name C  ) 1.0 -102.00 36.00 2
assign (segid W and resid 475 and name N  )(segid W and resid 475 and name CA )
       (segid W and resid 475 and name C  )(segid W and resid 476 and name N  ) 1.0 135.00 22.00 2

! Residue F 477 DATABASE
assign (segid W and resid 476 and name C  )(segid W and resid 477 and name N  )
       (segid W and resid 477 and name CA )(segid W and resid 477 and name C  ) 1.0 -127.00 20.00 2
assign (segid W and resid 477 and name N  )(segid W and resid 477 and name CA )
       (segid W and resid 477 and name C  )(segid W and resid 478 and name N  ) 1.0 141.00 20.00 2

! Residue I 478 DATABASE
assign (segid W and resid 477 and name C  )(segid W and resid 478 and name N  )
       (segid W and resid 478 and name CA )(segid W and resid 478 and name C  ) 1.0 -125.00 36.00 2
assign (segid W and resid 478 and name N  )(segid W and resid 478 and name CA )
       (segid W and resid 478 and name C  )(segid W and resid 479 and name N  ) 1.0 127.00 28.00 2

! Residue N 479 DATABASE
assign (segid W and resid 478 and name C  )(segid W and resid 479 and name N  )
       (segid W and resid 479 and name CA )(segid W and resid 479 and name C  ) 1.0 -88.00 30.00 2
assign (segid W and resid 479 and name N  )(segid W and resid 479 and name CA )
       (segid W and resid 479 and name C  )(segid W and resid 480 and name N  ) 1.0 126.00 60.00 2

! Residue N 481 DATABASE
assign (segid W and resid 480 and name C  )(segid W and resid 481 and name N  )
       (segid W and resid 481 and name CA )(segid W and resid 481 and name C  ) 1.0 -70.00 28.00 2
assign (segid W and resid 481 and name N  )(segid W and resid 481 and name CA )
       (segid W and resid 481 and name C  )(segid W and resid 482 and name N  ) 1.0 -28.00 24.00 2

! Residue Q 486 DATABASE
assign (segid W and resid 485 and name C  )(segid W and resid 486 and name N  )
       (segid W and resid 486 and name CA )(segid W and resid 486 and name C  ) 1.0 -132.00 26.00 2
assign (segid W and resid 486 and name N  )(segid W and resid 486 and name CA )
       (segid W and resid 486 and name C  )(segid W and resid 487 and name N  ) 1.0 150.00 20.00 2

! Residue T 498 DATABASE
assign (segid W and resid 497 and name C  )(segid W and resid 498 and name N  )
       (segid W and resid 498 and name CA )(segid W and resid 498 and name C  ) 1.0 -96.00 36.00 2
assign (segid W and resid 498 and name N  )(segid W and resid 498 and name CA )
       (segid W and resid 498 and name C  )(segid W and resid 499 and name N  ) 1.0 120.00 26.00 2

! Residue I 610 DATABASE
assign (segid B and resid 609 and name C  )(segid B and resid 610 and name N  )
       (segid B and resid 610 and name CA )(segid B and resid 610 and name C  ) 1.0 -114.00 46.00 2
assign (segid B and resid 610 and name N  )(segid B and resid 610 and name CA )
       (segid B and resid 610 and name C  )(segid B and resid 611 and name N  ) 1.0 126.00 54.00 2

! Residue T 613 DATABASE
assign (segid B and resid 612 and name C  )(segid B and resid 613 and name N  )
       (segid B and resid 613 and name CA )(segid B and resid 613 and name C  ) 1.0 -101.00 44.00 2
assign (segid B and resid 613 and name N  )(segid B and resid 613 and name CA )
       (segid B and resid 613 and name C  )(segid B and resid 614 and name N  ) 1.0 130.00 54.00 2

! Residue Y 618 DATABASE
assign (segid B and resid 617 and name C  )(segid B and resid 618 and name N  )
       (segid B and resid 618 and name CA )(segid B and resid 618 and name C  ) 1.0 -59.00 15.00 2

! Residue D 619 DATABASE
assign (segid B and resid 618 and name C  )(segid B and resid 619 and name N  )
       (segid B and resid 619 and name CA )(segid B and resid 619 and name C  ) 1.0 -89.00 38.00 2

!psi restraints dervbied from cross-correlation experiments
assign  (segid BP2 and resid 606 and name N) (segid BP2 and resid 606 and name CA)
	(segid BP2 and resid 606 and name C) (segid BP2 and resid 607 and name N) 1 -56.4 51.3 2
assign  (segid BP2 and resid 607 and name N) (segid BP2 and resid 607 and name CA)
	(segid BP2 and resid 607 and name C) (segid BP2 and resid 608 and name N) 1 -60.0 27.7 2
assign  (segid BP2 and resid 609 and name N) (segid BP2 and resid 609 and name CA)
	(segid BP2 and resid 609 and name C) (segid BP2 and resid 610 and name N) 1 -60.0 28.9 2
assign  (segid BP2 and resid 611 and name N) (segid BP2 and resid 611 and name CA)
	(segid BP2 and resid 611 and name C) (segid BP2 and resid 612 and name N) 1 -60.0 26.7 2
assign  (segid BP2 and resid 612 and name N) (segid BP2 and resid 612 and name CA)
	(segid BP2 and resid 612 and name C) (segid BP2 and resid 613 and name N) 1 -60.0 43.3 2
assign  (segid BP2 and resid 616 and name N) (segid BP2 and resid 616 and name CA)
	(segid BP2 and resid 616 and name C) (segid BP2 and resid 617 and name N) 1 120.0 26.6 2
assign  (segid BP2 and resid 617 and name N) (segid BP2 and resid 617 and name CA)
	(segid BP2 and resid 617 and name C) (segid BP2 and resid 618 and name N) 1 120.0 31.6 2
assign  (segid BP2 and resid 618 and name N) (segid BP2 and resid 618 and name CA)
	(segid BP2 and resid 618 and name C) (segid BP2 and resid 619 and name N) 1 -60.0 25.5 2
assign  (segid BP2 and resid 619 and name N) (segid BP2 and resid 619 and name CA)
	(segid BP2 and resid 619 and name C) (segid BP2 and resid 620 and name N) 1 -60.0 41.8 2
assign  (segid BP2 and resid 620 and name N) (segid BP2 and resid 620 and name CA)
	(segid BP2 and resid 620 and name C) (segid BP2 and resid 621 and name N) 1 -60.0 44.7 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY 450          1HT       GLY 450   8.737 -21.462 -13.114
    2   2H    GLY 450          2HT       GLY 450  10.008 -21.128 -14.179
    3   3H    GLY 450          3HT       GLY 450  10.116 -20.653 -12.559
    4   1HA   GLY 450          1HA       GLY 450  10.315 -23.361 -13.712
    5   2HA   GLY 450          2HA       GLY 450  11.445 -22.540 -12.646
    6    H    SER 451           H        SER 451   9.600 -25.092 -12.657
    7    HA   SER 451           HA       SER 451   8.692 -26.419 -11.047
    8   1HB   SER 451          2HB       SER 451   9.501 -24.389  -8.972
    9   2HB   SER 451          1HB       SER 451   9.357 -26.138  -8.800
   10    HG   SER 451           HG       SER 451  11.391 -24.624 -10.002
   11    HA   PRO 452           HA       PRO 452   5.042 -23.460 -11.051
   12   1HB   PRO 452          2HB       PRO 452   3.389 -25.211 -12.359
   13   2HB   PRO 452          1HB       PRO 452   4.386 -24.002 -13.175
   14   1HG   PRO 452          2HG       PRO 452   4.909 -26.918 -12.752
   15   2HG   PRO 452          1HG       PRO 452   5.180 -25.930 -14.200
   16   1HD   PRO 452          2HD       PRO 452   7.193 -26.601 -12.550
   17   2HD   PRO 452          1HD       PRO 452   7.144 -25.025 -13.368
   18    H    VAL 453           H        VAL 453   4.393 -23.537  -8.974
   19    HA   VAL 453           HA       VAL 453   2.617 -25.643  -8.153
   20    HB   VAL 453           HB       VAL 453   3.888 -26.094  -6.016
   21   1HG1  VAL 453          1HG1      VAL 453   5.059 -27.906  -6.933
   22   2HG1  VAL 453          2HG1      VAL 453   5.398 -27.040  -8.432
   23   3HG1  VAL 453          3HG1      VAL 453   3.759 -27.588  -8.082
   24   1HG2  VAL 453          1HG2      VAL 453   5.486 -24.062  -6.742
   25   2HG2  VAL 453          2HG2      VAL 453   6.423 -25.417  -7.371
   26   3HG2  VAL 453          3HG2      VAL 453   5.998 -25.357  -5.660
   27    H    ASP 454           H        ASP 454   1.549 -25.171  -6.117
   28    HA   ASP 454           HA       ASP 454   1.317 -22.297  -5.703
   29   1HB   ASP 454          2HB       ASP 454  -0.653 -23.030  -4.244
   30   2HB   ASP 454          1HB       ASP 454  -0.786 -23.337  -5.973
   31    H    SER 455           H        SER 455   3.715 -23.304  -4.747
   32    HA   SER 455           HA       SER 455   3.557 -23.926  -1.960
   33   1HB   SER 455          2HB       SER 455   5.469 -24.390  -3.727
   34   2HB   SER 455          1HB       SER 455   6.051 -22.817  -3.183
   35    HG   SER 455           HG       SER 455   6.570 -25.025  -2.033
   36    H    ASN 456           H        ASN 456   4.662 -21.048  -3.750
   37    HA   ASN 456           HA       ASN 456   3.722 -19.374  -1.549
   38   1HB   ASN 456          2HB       ASN 456   5.897 -18.041  -1.741
   39   2HB   ASN 456          1HB       ASN 456   5.981 -19.585  -0.897
   40   1HD2  ASN 456          1HD2      ASN 456   8.305 -19.148  -1.444
   41   2HD2  ASN 456          2HD2      ASN 456   8.888 -19.780  -2.942
   42    H    ASP 457           H        ASP 457   2.198 -19.335  -3.563
   43    HA   ASP 457           HA       ASP 457   2.923 -16.939  -5.098
   44   1HB   ASP 457          2HB       ASP 457   2.152 -19.606  -6.138
   45   2HB   ASP 457          1HB       ASP 457   1.403 -18.218  -6.922
   46    H    LEU 458           H        LEU 458   1.354 -15.439  -5.236
   47    HA   LEU 458           HA       LEU 458  -1.325 -16.183  -4.259
   48   1HB   LEU 458          2HB       LEU 458   0.295 -13.695  -3.767
   49   2HB   LEU 458          1HB       LEU 458  -1.439 -13.742  -3.514
   50    HG   LEU 458           HG       LEU 458   0.623 -15.409  -2.069
   51   1HD1  LEU 458          1HD1      LEU 458  -1.205 -13.228  -1.075
   52   2HD1  LEU 458          2HD1      LEU 458   0.522 -13.049  -1.388
   53   3HD1  LEU 458          3HD1      LEU 458  -0.036 -14.138  -0.118
   54   1HD2  LEU 458          1HD2      LEU 458  -2.384 -15.377  -1.844
   55   2HD2  LEU 458          2HD2      LEU 458  -1.296 -16.174  -0.707
   56   3HD2  LEU 458          3HD2      LEU 458  -1.375 -16.720  -2.383
   57    H    GLY 459           H        GLY 459   0.526 -14.044  -6.386
   58   1HA   GLY 459          2HA       GLY 459  -0.118 -13.616  -8.632
   59   2HA   GLY 459          1HA       GLY 459  -1.780 -13.974  -8.196
   60    HA   PRO 460           HA       PRO 460  -2.203  -9.540  -8.166
   61   1HB   PRO 460          2HB       PRO 460  -4.781  -9.383  -7.410
   62   2HB   PRO 460          1HB       PRO 460  -4.309  -9.942  -9.019
   63   1HG   PRO 460          2HG       PRO 460  -5.126 -11.535  -6.624
   64   2HG   PRO 460          1HG       PRO 460  -5.564 -11.766  -8.325
   65   1HD   PRO 460          2HD       PRO 460  -3.621 -13.208  -7.040
   66   2HD   PRO 460          1HD       PRO 460  -3.640 -12.914  -8.790
   67    H    LEU 461           H        LEU 461  -0.739 -10.270  -6.038
   68    HA   LEU 461           HA       LEU 461  -0.190  -9.741  -3.896
   69   1HB   LEU 461          2HB       LEU 461  -2.366  -7.677  -3.926
   70   2HB   LEU 461          1HB       LEU 461  -0.814  -7.622  -3.111
   71    HG   LEU 461           HG       LEU 461  -1.274  -7.374  -6.084
   72   1HD1  LEU 461          1HD1      LEU 461  -1.171  -5.470  -3.909
   73   2HD1  LEU 461          2HD1      LEU 461  -1.631  -5.235  -5.596
   74   3HD1  LEU 461          3HD1      LEU 461   0.066  -5.148  -5.124
   75   1HD2  LEU 461          1HD2      LEU 461   1.358  -6.706  -5.016
   76   2HD2  LEU 461          2HD2      LEU 461   0.917  -7.631  -6.451
   77   3HD2  LEU 461          3HD2      LEU 461   0.950  -8.417  -4.872
   78    HA   PRO 462           HA       PRO 462  -2.873 -11.650  -0.977
   79   1HB   PRO 462          2HB       PRO 462  -2.439  -9.598   1.069
   80   2HB   PRO 462          1HB       PRO 462  -1.904 -11.276   1.042
   81   1HG   PRO 462          2HG       PRO 462  -0.185  -9.219   0.765
   82   2HG   PRO 462          1HG       PRO 462   0.060 -10.774  -0.050
   83   1HD   PRO 462          2HD       PRO 462  -1.022  -8.205  -1.149
   84   2HD   PRO 462          1HD       PRO 462   0.112  -9.358  -1.888
   85    HA   PRO 463           HA       PRO 463  -6.857  -9.778  -0.604
   86   1HB   PRO 463          2HB       PRO 463  -7.724 -10.344   1.897
   87   2HB   PRO 463          1HB       PRO 463  -7.550 -11.583   0.647
   88   1HG   PRO 463          2HG       PRO 463  -5.695 -10.882   2.892
   89   2HG   PRO 463          1HG       PRO 463  -6.198 -12.482   2.316
   90   1HD   PRO 463          2HD       PRO 463  -3.820 -11.368   1.647
   91   2HD   PRO 463          1HD       PRO 463  -4.704 -12.460   0.562
   92    H    GLY 464           H        GLY 464  -7.580  -7.747  -0.379
   93   1HA   GLY 464          2HA       GLY 464  -8.027  -5.709   0.653
   94   2HA   GLY 464          1HA       GLY 464  -7.095  -6.240   2.042
   95    H    TRP 465           H        TRP 465  -5.049  -6.883  -0.361
   96    HA   TRP 465           HA       TRP 465  -3.643  -4.359   0.002
   97   1HB   TRP 465          2HB       TRP 465  -2.834  -7.081  -0.995
   98   2HB   TRP 465          1HB       TRP 465  -1.791  -5.679  -1.204
   99    HD1  TRP 465           HD       TRP 465  -3.245  -7.920   1.546
  100    HE1  TRP 465           1HE      TRP 465  -1.831  -7.595   3.672
  101    HE3  TRP 465           3HE      TRP 465  -0.305  -4.052  -0.027
  102    HZ2  TRP 465           2HZ      TRP 465   0.250  -5.914   4.554
  103    HZ3  TRP 465           3HZ      TRP 465   1.368  -3.137   1.522
  104    HH2  TRP 465           HH       TRP 465   1.641  -4.050   3.771
  105    H    GLU 466           H        GLU 466  -2.416  -3.501  -1.898
  106    HA   GLU 466           HA       GLU 466  -3.671  -3.901  -4.490
  107   1HB   GLU 466          2HB       GLU 466  -4.554  -1.857  -2.781
  108   2HB   GLU 466          1HB       GLU 466  -3.517  -1.058  -3.953
  109   1HG   GLU 466          2HG       GLU 466  -5.602  -2.968  -4.901
  110   2HG   GLU 466          1HG       GLU 466  -6.064  -1.338  -4.414
  111    H    GLU 467           H        GLU 467  -2.360  -3.294  -6.210
  112    HA   GLU 467           HA       GLU 467   0.399  -2.659  -5.481
  113   1HB   GLU 467          2HB       GLU 467   0.987  -3.361  -7.725
  114   2HB   GLU 467          1HB       GLU 467  -0.038  -4.582  -6.982
  115   1HG   GLU 467          2HG       GLU 467  -1.917  -3.139  -8.215
  116   2HG   GLU 467          1HG       GLU 467  -0.555  -2.810  -9.284
  117    H    ARG 468           H        ARG 468   0.635  -0.506  -5.217
  118    HA   ARG 468           HA       ARG 468  -0.493   1.276  -7.264
  119   1HB   ARG 468          2HB       ARG 468   0.079   1.561  -4.375
  120   2HB   ARG 468          1HB       ARG 468   0.377   2.981  -5.366
  121   1HG   ARG 468          2HG       ARG 468  -2.208   1.585  -5.731
  122   2HG   ARG 468          1HG       ARG 468  -1.970   2.489  -4.234
  123   1HD   ARG 468          2HD       ARG 468  -2.943   4.021  -5.724
  124   2HD   ARG 468          1HD       ARG 468  -1.227   4.425  -5.708
  125    HE   ARG 468           HE       ARG 468  -1.090   3.803  -7.912
  126   1HH1  ARG 468          1HH1      ARG 468  -4.105   2.683  -6.577
  127   2HH1  ARG 468          2HH1      ARG 468  -4.750   2.193  -8.107
  128   1HH2  ARG 468          1HH2      ARG 468  -1.929   3.160  -9.933
  129   2HH2  ARG 468          2HH2      ARG 468  -3.513   2.464 -10.016
  130    H    THR 469           H        THR 469   0.774   2.713  -8.376
  131    HA   THR 469           HA       THR 469   3.587   2.037  -8.539
  132    HB   THR 469           HB       THR 469   3.502   3.873 -10.373
  133    HG1  THR 469           1HG      THR 469   0.739   3.265 -10.355
  134   1HG2  THR 469          1HG2      THR 469   3.577   2.032 -11.624
  135   2HG2  THR 469          2HG2      THR 469   1.818   1.924 -11.541
  136   3HG2  THR 469          3HG2      THR 469   2.810   1.100 -10.338
  137    H    HIS 470           H        HIS 470   5.181   3.116  -7.593
  138    HA   HIS 470           HA       HIS 470   4.622   5.439  -5.998
  139   1HB   HIS 470          2HB       HIS 470   6.259   3.547  -5.440
  140   2HB   HIS 470          1HB       HIS 470   7.358   4.317  -6.581
  141    HD2  HIS 470           2HD      HIS 470   8.931   6.185  -5.488
  142    HE1  HIS 470           1HE      HIS 470   6.644   6.839  -1.989
  143    HE2  HIS 470           2HE      HIS 470   8.699   7.548  -3.295
  144    H    THR 471           H        THR 471   5.837   7.446  -6.147
  145    HA   THR 471           HA       THR 471   5.660   8.666  -8.638
  146    HB   THR 471           HB       THR 471   7.685   9.895  -6.929
  147    HG1  THR 471           1HG      THR 471   6.559   9.987  -5.089
  148   1HG2  THR 471          1HG2      THR 471   5.190  10.609  -8.350
  149   2HG2  THR 471          2HG2      THR 471   6.738  11.451  -8.283
  150   3HG2  THR 471          3HG2      THR 471   5.602  11.589  -6.942
  151    H    ASP 472           H        ASP 472   8.176   6.709  -7.326
  152    HA   ASP 472           HA       ASP 472  10.176   7.668  -9.201
  153   1HB   ASP 472          2HB       ASP 472  10.174   5.678  -6.956
  154   2HB   ASP 472          1HB       ASP 472  11.482   5.682  -8.134
  155    H    GLY 473           H        GLY 473   7.674   5.376  -9.202
  156   1HA   GLY 473          2HA       GLY 473   7.154   4.319 -11.319
  157   2HA   GLY 473          1HA       GLY 473   8.877   4.080 -11.560
  158    H    ARG 474           H        ARG 474   8.950   3.317  -8.569
  159    HA   ARG 474           HA       ARG 474   8.663   0.492  -9.025
  160   1HB   ARG 474          2HB       ARG 474   9.518   2.139  -6.649
  161   2HB   ARG 474          1HB       ARG 474   9.350   0.391  -6.562
  162   1HG   ARG 474          2HG       ARG 474  11.396   0.160  -7.363
  163   2HG   ARG 474          1HG       ARG 474  10.908   0.978  -8.848
  164   1HD   ARG 474          2HD       ARG 474  11.390   3.145  -7.788
  165   2HD   ARG 474          1HD       ARG 474  11.921   2.302  -6.334
  166    HE   ARG 474           HE       ARG 474  13.452   1.243  -8.326
  167   1HH1  ARG 474          1HH1      ARG 474  12.818   4.464  -7.167
  168   2HH1  ARG 474          2HH1      ARG 474  14.381   5.070  -7.607
  169   1HH2  ARG 474          1HH2      ARG 474  15.513   2.030  -8.912
  170   2HH2  ARG 474          2HH2      ARG 474  15.912   3.686  -8.600
  171    H    VAL 475           H        VAL 475   6.868  -0.658  -8.705
  172    HA   VAL 475           HA       VAL 475   4.558   0.555  -7.492
  173    HB   VAL 475           HB       VAL 475   4.382  -0.926  -9.460
  174   1HG1  VAL 475          1HG1      VAL 475   4.810  -3.240  -9.395
  175   2HG1  VAL 475          2HG1      VAL 475   4.902  -3.270  -7.631
  176   3HG1  VAL 475          3HG1      VAL 475   6.180  -2.505  -8.569
  177   1HG2  VAL 475          1HG2      VAL 475   2.394  -0.557  -8.225
  178   2HG2  VAL 475          2HG2      VAL 475   2.874  -1.671  -6.949
  179   3HG2  VAL 475          3HG2      VAL 475   2.434  -2.288  -8.545
  180    H    PHE 476           H        PHE 476   4.366   0.674  -5.359
  181    HA   PHE 476           HA       PHE 476   5.551  -1.377  -3.660
  182   1HB   PHE 476          2HB       PHE 476   5.090   0.138  -1.811
  183   2HB   PHE 476          1HB       PHE 476   5.911   1.003  -3.106
  184    HD1  PHE 476           1HD      PHE 476   4.776   2.706  -4.381
  185    HD2  PHE 476           2HD      PHE 476   2.773   0.578  -1.290
  186    HE1  PHE 476           1HE      PHE 476   2.972   4.379  -4.405
  187    HE2  PHE 476           2HE      PHE 476   0.964   2.246  -1.307
  188    HZ   PHE 476           HZ       PHE 476   1.062   4.150  -2.866
  189    H    PHE 477           H        PHE 477   4.119  -1.803  -1.581
  190    HA   PHE 477           HA       PHE 477   1.519  -2.747  -2.581
  191   1HB   PHE 477          2HB       PHE 477   3.146  -3.745  -0.236
  192   2HB   PHE 477          1HB       PHE 477   1.614  -4.418  -0.778
  193    HD1  PHE 477           1HD      PHE 477   1.621  -6.193  -2.248
  194    HD2  PHE 477           2HD      PHE 477   5.048  -3.683  -2.012
  195    HE1  PHE 477           1HE      PHE 477   2.825  -7.703  -3.773
  196    HE2  PHE 477           2HE      PHE 477   6.259  -5.186  -3.539
  197    HZ   PHE 477           HZ       PHE 477   5.148  -7.199  -4.420
  198    H    ILE 478           H        ILE 478  -0.360  -2.482  -1.334
  199    HA   ILE 478           HA       ILE 478  -0.185  -0.839   1.075
  200    HB   ILE 478           HB       ILE 478  -0.425   0.813  -0.682
  201   1HG1  ILE 478          2HG1      ILE 478  -2.914   0.318   0.942
  202   2HG1  ILE 478          1HG1      ILE 478  -1.604   1.437   1.275
  203   1HG2  ILE 478          1HG2      ILE 478  -1.291  -0.532  -2.451
  204   2HG2  ILE 478          2HG2      ILE 478  -2.388   0.819  -2.176
  205   3HG2  ILE 478          3HG2      ILE 478  -2.800  -0.785  -1.576
  206   1HD1  ILE 478          1HD1      ILE 478  -4.049   1.935  -0.053
  207   2HD1  ILE 478          2HD1      ILE 478  -2.750   2.153  -1.226
  208   3HD1  ILE 478          3HD1      ILE 478  -2.735   3.063   0.286
  209    H    ASN 479           H        ASN 479  -1.576  -1.558   2.582
  210    HA   ASN 479           HA       ASN 479  -3.606  -3.487   1.755
  211   1HB   ASN 479          2HB       ASN 479  -3.638  -4.261   3.991
  212   2HB   ASN 479          1HB       ASN 479  -1.946  -3.952   3.628
  213   1HD2  ASN 479          1HD2      ASN 479  -2.889  -4.147   6.207
  214   2HD2  ASN 479          2HD2      ASN 479  -2.772  -2.604   6.973
  215    H    HIS 480           H        HIS 480  -5.793  -3.337   2.418
  216    HA   HIS 480           HA       HIS 480  -6.651  -0.570   2.928
  217   1HB   HIS 480          2HB       HIS 480  -7.857  -2.812   1.350
  218   2HB   HIS 480          1HB       HIS 480  -8.890  -1.539   1.990
  219    HD2  HIS 480           2HD      HIS 480  -5.370  -0.757   0.481
  220    HE1  HIS 480           1HE      HIS 480  -8.377   0.845  -2.029
  221    HE2  HIS 480           2HE      HIS 480  -5.879   0.564  -1.692
  222    H    ASN 481           H        ASN 481  -6.001  -2.916   4.848
  223    HA   ASN 481           HA       ASN 481  -8.573  -3.275   6.158
  224   1HB   ASN 481          2HB       ASN 481  -5.967  -4.180   7.336
  225   2HB   ASN 481          1HB       ASN 481  -7.563  -4.909   7.476
  226   1HD2  ASN 481          1HD2      ASN 481  -4.712  -4.602   5.558
  227   2HD2  ASN 481          2HD2      ASN 481  -5.066  -5.868   4.442
  228    H    ILE 482           H        ILE 482  -5.426  -1.798   6.847
  229    HA   ILE 482           HA       ILE 482  -6.758  -0.069   8.820
  230    HB   ILE 482           HB       ILE 482  -4.474  -0.090  10.030
  231   1HG1  ILE 482          2HG1      ILE 482  -4.327  -2.653   8.432
  232   2HG1  ILE 482          1HG1      ILE 482  -3.181  -1.317   8.403
  233   1HG2  ILE 482          1HG2      ILE 482  -5.693  -2.715  10.490
  234   2HG2  ILE 482          2HG2      ILE 482  -6.833  -1.369  10.468
  235   3HG2  ILE 482          3HG2      ILE 482  -5.472  -1.354  11.590
  236   1HD1  ILE 482          1HD1      ILE 482  -3.695  -3.207  10.685
  237   2HD1  ILE 482          2HD1      ILE 482  -2.634  -1.801  10.765
  238   3HD1  ILE 482          3HD1      ILE 482  -2.257  -3.129   9.667
  239    H    LYS 483           H        LYS 483  -5.959   0.242   5.969
  240    HA   LYS 483           HA       LYS 483  -4.820   1.659   4.577
  241   1HB   LYS 483          2HB       LYS 483  -5.065   3.770   6.677
  242   2HB   LYS 483          1HB       LYS 483  -5.370   3.873   4.949
  243   1HG   LYS 483          2HG       LYS 483  -7.130   2.731   7.092
  244   2HG   LYS 483          1HG       LYS 483  -7.474   4.042   5.961
  245   1HD   LYS 483          2HD       LYS 483  -6.921   1.910   4.304
  246   2HD   LYS 483          1HD       LYS 483  -7.795   1.161   5.643
  247   1HE   LYS 483          2HE       LYS 483  -9.482   3.075   5.343
  248   2HE   LYS 483          1HE       LYS 483  -8.701   3.336   3.784
  249   1HZ   LYS 483          1HZ       LYS 483 -10.727   1.823   3.852
  250   2HZ   LYS 483          2HZ       LYS 483  -9.716   0.674   4.571
  251   3HZ   LYS 483          3HZ       LYS 483  -9.368   1.255   3.020
  252    H    LYS 484           H        LYS 484  -2.798   0.463   4.948
  253    HA   LYS 484           HA       LYS 484  -0.718   2.289   5.816
  254   1HB   LYS 484          2HB       LYS 484  -1.587   0.493   7.658
  255   2HB   LYS 484          1HB       LYS 484  -0.321  -0.436   6.871
  256   1HG   LYS 484          2HG       LYS 484   1.062   1.774   7.237
  257   2HG   LYS 484          1HG       LYS 484  -0.126   2.028   8.518
  258   1HD   LYS 484          2HD       LYS 484   0.848   0.508   9.825
  259   2HD   LYS 484          1HD       LYS 484   0.870  -0.686   8.526
  260   1HE   LYS 484          2HE       LYS 484   2.958   0.017   7.755
  261   2HE   LYS 484          1HE       LYS 484   2.848   1.565   8.591
  262   1HZ   LYS 484          1HZ       LYS 484   2.737  -0.159  10.635
  263   2HZ   LYS 484          2HZ       LYS 484   4.166   0.553  10.075
  264   3HZ   LYS 484          3HZ       LYS 484   3.744  -1.006   9.570
  265    H    THR 485           H        THR 485   0.624   2.344   4.157
  266    HA   THR 485           HA       THR 485   0.927  -0.008   2.445
  267    HB   THR 485           HB       THR 485   0.474   1.999   1.220
  268    HG1  THR 485           1HG      THR 485   3.277   1.696   0.936
  269   1HG2  THR 485          1HG2      THR 485   2.281   3.865   1.361
  270   2HG2  THR 485          2HG2      THR 485   2.626   3.168   2.944
  271   3HG2  THR 485          3HG2      THR 485   1.016   3.793   2.587
  272    H    GLN 486           H        GLN 486   3.217  -0.326   1.540
  273    HA   GLN 486           HA       GLN 486   5.395   0.378   3.290
  274   1HB   GLN 486          2HB       GLN 486   5.967  -2.100   3.622
  275   2HB   GLN 486          1HB       GLN 486   4.683  -1.425   4.617
  276   1HG   GLN 486          2HG       GLN 486   3.017  -2.519   3.433
  277   2HG   GLN 486          1HG       GLN 486   4.059  -2.787   2.035
  278   1HE2  GLN 486          1HE2      GLN 486   5.316  -4.559   1.942
  279   2HE2  GLN 486          2HE2      GLN 486   5.309  -5.810   3.128
  280    H    TRP 487           H        TRP 487   7.424  -0.035   2.384
  281    HA   TRP 487           HA       TRP 487   7.472  -0.166  -0.465
  282   1HB   TRP 487          2HB       TRP 487   9.386   0.361   1.699
  283   2HB   TRP 487          1HB       TRP 487  10.092  -0.448   0.304
  284    HD1  TRP 487           HD       TRP 487   9.720   2.879   1.537
  285    HE1  TRP 487           1HE      TRP 487   9.714   4.633  -0.346
  286    HE3  TRP 487           3HE      TRP 487   8.851  -0.207  -2.446
  287    HZ2  TRP 487           2HZ      TRP 487   9.385   4.700  -3.147
  288    HZ3  TRP 487           3HZ      TRP 487   8.704   0.782  -4.694
  289    HH2  TRP 487           HH       TRP 487   8.966   3.186  -5.035
  290    H    GLU 488           H        GLU 488   8.445  -2.366   2.135
  291    HA   GLU 488           HA       GLU 488   9.609  -4.350   0.530
  292   1HB   GLU 488          2HB       GLU 488   8.495  -4.237   3.286
  293   2HB   GLU 488          1HB       GLU 488   8.747  -5.826   2.578
  294   1HG   GLU 488          2HG       GLU 488  10.790  -5.616   3.467
  295   2HG   GLU 488          1HG       GLU 488  11.112  -4.676   2.010
  296    H    ASP 489           H        ASP 489   8.631  -6.670   0.525
  297    HA   ASP 489           HA       ASP 489   5.957  -6.451  -0.673
  298   1HB   ASP 489          2HB       ASP 489   7.983  -8.665  -1.032
  299   2HB   ASP 489          1HB       ASP 489   6.490  -8.443  -1.939
  300    HA   PRO 490           HA       PRO 490   4.746  -8.763   3.013
  301   1HB   PRO 490          2HB       PRO 490   2.083  -8.515   2.691
  302   2HB   PRO 490          1HB       PRO 490   3.089  -7.185   3.276
  303   1HG   PRO 490          2HG       PRO 490   2.003  -7.674   0.531
  304   2HG   PRO 490          1HG       PRO 490   2.096  -6.157   1.444
  305   1HD   PRO 490          2HD       PRO 490   3.877  -6.858  -0.504
  306   2HD   PRO 490          1HD       PRO 490   4.284  -5.799   0.858
  307    H    ARG 491           H        ARG 491   3.465  -9.285  -0.241
  308    HA   ARG 491           HA       ARG 491   2.377 -11.863   0.335
  309   1HB   ARG 491          2HB       ARG 491   2.357 -12.039  -2.222
  310   2HB   ARG 491          1HB       ARG 491   1.380 -10.776  -1.488
  311   1HG   ARG 491          2HG       ARG 491   2.740  -9.091  -2.247
  312   2HG   ARG 491          1HG       ARG 491   4.157 -10.137  -2.351
  313   1HD   ARG 491          2HD       ARG 491   1.766 -10.144  -4.188
  314   2HD   ARG 491          1HD       ARG 491   3.389  -9.573  -4.573
  315    HE   ARG 491           HE       ARG 491   3.671 -12.202  -3.793
  316   1HH1  ARG 491          1HH1      ARG 491   1.986 -10.456  -6.292
  317   2HH1  ARG 491          2HH1      ARG 491   2.049 -11.762  -7.427
  318   1HH2  ARG 491          1HH2      ARG 491   3.759 -13.930  -5.282
  319   2HH2  ARG 491          2HH2      ARG 491   3.055 -13.738  -6.852
  320    H    MET 492           H        MET 492   5.521 -10.693  -0.432
  321    HA   MET 492           HA       MET 492   6.498 -13.240  -1.397
  322   1HB   MET 492          2HB       MET 492   7.323 -10.610  -1.688
  323   2HB   MET 492          1HB       MET 492   8.527 -11.300  -0.609
  324   1HG   MET 492          2HG       MET 492   9.548 -12.139  -2.378
  325   2HG   MET 492          1HG       MET 492   8.160 -13.197  -2.623
  326   1HE   MET 492          1HE       MET 492   9.883 -12.458  -5.226
  327   2HE   MET 492          2HE       MET 492  10.484 -11.123  -4.244
  328   3HE   MET 492          3HE       MET 492   9.703 -10.797  -5.791
  329    H    GLN 493           H        GLN 493   6.598 -11.340   1.563
  330    HA   GLN 493           HA       GLN 493   8.445 -13.080   2.895
  331   1HB   GLN 493          2HB       GLN 493   6.677 -10.820   3.798
  332   2HB   GLN 493          1HB       GLN 493   7.583 -11.789   4.952
  333   1HG   GLN 493          2HG       GLN 493   8.823 -10.301   2.651
  334   2HG   GLN 493          1HG       GLN 493   8.697  -9.674   4.294
  335   1HE2  GLN 493          1HE2      GLN 493  10.274 -11.929   2.196
  336   2HE2  GLN 493          2HE2      GLN 493  11.520 -12.402   3.294
  337    H    ASN 494           H        ASN 494   7.251 -15.076   2.348
  338    HA   ASN 494           HA       ASN 494   5.717 -15.950   4.597
  339   1HB   ASN 494          2HB       ASN 494   3.755 -16.705   3.163
  340   2HB   ASN 494          1HB       ASN 494   3.848 -14.980   3.504
  341   1HD2  ASN 494          1HD2      ASN 494   2.331 -15.818   1.443
  342   2HD2  ASN 494          2HD2      ASN 494   3.067 -15.394  -0.063
  343    H    VAL 495           H        VAL 495   5.942 -18.099   4.897
  344    HA   VAL 495           HA       VAL 495   6.456 -19.904   2.716
  345    HB   VAL 495           HB       VAL 495   8.701 -18.894   3.100
  346   1HG1  VAL 495          1HG1      VAL 495   9.438 -18.539   5.162
  347   2HG1  VAL 495          2HG1      VAL 495   9.471 -20.279   5.442
  348   3HG1  VAL 495          3HG1      VAL 495   8.022 -19.352   5.827
  349   1HG2  VAL 495          1HG2      VAL 495   8.101 -21.412   2.497
  350   2HG2  VAL 495          2HG2      VAL 495   8.969 -21.707   4.003
  351   3HG2  VAL 495          3HG2      VAL 495   9.766 -20.860   2.676
  352    H    ALA 496           H        ALA 496   4.528 -19.630   4.849
  353    HA   ALA 496           HA       ALA 496   4.466 -22.327   5.740
  354   1HB   ALA 496          1HB       ALA 496   6.059 -20.829   7.331
  355   2HB   ALA 496          2HB       ALA 496   5.145 -22.233   7.885
  356   3HB   ALA 496          3HB       ALA 496   4.502 -20.608   8.128
  357    H    ILE 497           H        ILE 497   2.475 -22.881   6.739
  358    HA   ILE 497           HA       ILE 497   0.501 -20.844   7.257
  359    HB   ILE 497           HB       ILE 497  -1.138 -21.746   5.609
  360   1HG1  ILE 497          2HG1      ILE 497   0.311 -22.806   3.577
  361   2HG1  ILE 497          1HG1      ILE 497   1.201 -23.439   4.959
  362   1HG2  ILE 497          1HG2      ILE 497  -0.472 -20.318   3.913
  363   2HG2  ILE 497          2HG2      ILE 497   1.235 -20.724   4.101
  364   3HG2  ILE 497          3HG2      ILE 497   0.432 -19.709   5.300
  365   1HD1  ILE 497          1HD1      ILE 497  -0.792 -24.481   5.823
  366   2HD1  ILE 497          2HD1      ILE 497  -0.538 -24.979   4.150
  367   3HD1  ILE 497          3HD1      ILE 497  -1.762 -23.767   4.534
  368    H    THR 498           H        THR 498  -1.765 -22.095   7.462
  369    HA   THR 498           HA       THR 498  -1.254 -24.619   8.892
  370    HB   THR 498           HB       THR 498  -1.570 -23.157  10.684
  371    HG1  THR 498           1HG      THR 498  -3.532 -23.818  11.527
  372   1HG2  THR 498          1HG2      THR 498  -2.239 -21.087  10.122
  373   2HG2  THR 498          2HG2      THR 498  -3.870 -21.694  10.402
  374   3HG2  THR 498          3HG2      THR 498  -3.208 -21.668   8.767
  375    H    GLY 499           H        GLY 499  -2.579 -26.256   8.383
  376   1HA   GLY 499          2HA       GLY 499  -5.170 -25.649   7.140
  377   2HA   GLY 499          1HA       GLY 499  -4.043 -26.683   6.276
  378   1H    GLY 605          1HT       GLY 605  20.840  16.661  -8.025
  379   2H    GLY 605          2HT       GLY 605  20.949  18.310  -7.662
  380   3H    GLY 605          3HT       GLY 605  19.627  17.410  -7.114
  381   1HA   GLY 605          1HA       GLY 605  22.302  16.543  -6.306
  382   2HA   GLY 605          2HA       GLY 605  21.640  17.980  -5.543
  383    H    SER 606           H        SER 606  20.143  14.926  -6.593
  384    HA   SER 606           HA       SER 606  18.662  14.772  -4.120
  385   1HB   SER 606          2HB       SER 606  17.918  14.065  -6.539
  386   2HB   SER 606          1HB       SER 606  18.723  12.551  -6.132
  387    HG   SER 606           HG       SER 606  16.545  13.782  -4.805
  388    H    THR 607           H        THR 607  20.650  12.343  -5.809
  389    HA   THR 607           HA       THR 607  22.178  10.834  -5.049
  390    HB   THR 607           HB       THR 607  22.386  11.844  -2.294
  391    HG1  THR 607           1HG      THR 607  22.728  13.879  -2.773
  392   1HG2  THR 607          1HG2      THR 607  24.106  10.868  -4.476
  393   2HG2  THR 607          2HG2      THR 607  24.218  10.600  -2.736
  394   3HG2  THR 607          3HG2      THR 607  24.827  12.099  -3.439
  395    H    LEU 608           H        LEU 608  20.478  11.620  -2.015
  396    HA   LEU 608           HA       LEU 608  20.230   9.010  -1.113
  397   1HB   LEU 608          2HB       LEU 608  19.877  10.840   0.381
  398   2HB   LEU 608          1HB       LEU 608  18.539  11.444  -0.580
  399    HG   LEU 608           HG       LEU 608  17.993   8.749   0.275
  400   1HD1  LEU 608          1HD1      LEU 608  19.019  10.655   2.326
  401   2HD1  LEU 608          2HD1      LEU 608  19.236   8.909   2.201
  402   3HD1  LEU 608          3HD1      LEU 608  17.691   9.569   2.737
  403   1HD2  LEU 608          1HD2      LEU 608  16.574  11.165   1.293
  404   2HD2  LEU 608          2HD2      LEU 608  15.922   9.618   0.751
  405   3HD2  LEU 608          3HD2      LEU 608  16.507  10.790  -0.430
  406    HA   PRO 609           HA       PRO 609  17.035   7.784  -4.079
  407   1HB   PRO 609          2HB       PRO 609  17.519   5.159  -4.035
  408   2HB   PRO 609          1HB       PRO 609  18.621   6.277  -4.850
  409   1HG   PRO 609          2HG       PRO 609  18.881   4.971  -2.174
  410   2HG   PRO 609          1HG       PRO 609  20.121   5.257  -3.407
  411   1HD   PRO 609          2HD       PRO 609  19.716   6.836  -1.166
  412   2HD   PRO 609          1HD       PRO 609  20.549   7.359  -2.642
  413    H    ILE 610           H        ILE 610  17.638   6.251  -0.940
  414    HA   ILE 610           HA       ILE 610  14.729   5.903  -0.633
  415    HB   ILE 610           HB       ILE 610  16.799   4.085   0.593
  416   1HG1  ILE 610          2HG1      ILE 610  15.047   3.390  -1.759
  417   2HG1  ILE 610          1HG1      ILE 610  16.664   4.053  -1.971
  418   1HG2  ILE 610          1HG2      ILE 610  13.930   3.391   0.165
  419   2HG2  ILE 610          2HG2      ILE 610  14.380   4.428   1.520
  420   3HG2  ILE 610          3HG2      ILE 610  15.060   2.807   1.386
  421   1HD1  ILE 610          1HD1      ILE 610  17.519   2.032  -1.756
  422   2HD1  ILE 610          2HD1      ILE 610  15.900   1.369  -1.531
  423   3HD1  ILE 610          3HD1      ILE 610  16.836   1.903  -0.136
  424    HA   PRO 611           HA       PRO 611  15.888   8.695   2.777
  425   1HB   PRO 611          2HB       PRO 611  13.316   9.402   3.363
  426   2HB   PRO 611          1HB       PRO 611  14.274  10.168   2.091
  427   1HG   PRO 611          2HG       PRO 611  12.201   8.023   1.869
  428   2HG   PRO 611          1HG       PRO 611  12.458   9.443   0.838
  429   1HD   PRO 611          2HD       PRO 611  13.289   6.980   0.119
  430   2HD   PRO 611          1HD       PRO 611  14.190   8.445  -0.321
  431    H    GLY 612           H        GLY 612  13.110   6.457   2.886
  432   1HA   GLY 612          2HA       GLY 612  13.606   4.615   4.612
  433   2HA   GLY 612          1HA       GLY 612  13.709   5.968   5.728
  434    H    THR 613           H        THR 613  11.546   7.454   4.470
  435    HA   THR 613           HA       THR 613   9.375   6.325   5.919
  436    HB   THR 613           HB       THR 613   8.057   8.187   5.131
  437    HG1  THR 613           1HG      THR 613  10.211   8.870   3.400
  438   1HG2  THR 613          1HG2      THR 613  10.615   9.618   5.361
  439   2HG2  THR 613          2HG2      THR 613  10.309   8.434   6.633
  440   3HG2  THR 613          3HG2      THR 613   9.157   9.737   6.345
  441    HA   PRO 614           HA       PRO 614   7.661   3.633   2.852
  442   1HB   PRO 614          2HB       PRO 614   5.062   3.621   3.696
  443   2HB   PRO 614          1HB       PRO 614   6.350   2.705   4.486
  444   1HG   PRO 614          2HG       PRO 614   5.164   5.347   5.242
  445   2HG   PRO 614          1HG       PRO 614   5.611   3.981   6.281
  446   1HD   PRO 614          2HD       PRO 614   7.174   6.164   6.033
  447   2HD   PRO 614          1HD       PRO 614   7.853   4.539   6.266
  448    HA   PRO 615           HA       PRO 615   5.813   5.830  -0.482
  449   1HB   PRO 615          2HB       PRO 615   3.519   3.934  -0.448
  450   2HB   PRO 615          1HB       PRO 615   4.599   4.373  -1.776
  451   1HG   PRO 615          2HG       PRO 615   4.847   2.025  -0.547
  452   2HG   PRO 615          1HG       PRO 615   6.276   2.939  -1.064
  453   1HD   PRO 615          2HD       PRO 615   5.116   2.616   1.671
  454   2HD   PRO 615          1HD       PRO 615   6.816   2.702   1.169
  455    HA   PRO 616           HA       PRO 616   2.488   8.521   0.611
  456   1HB   PRO 616          2HB       PRO 616   0.724   7.651  -1.594
  457   2HB   PRO 616          1HB       PRO 616   1.438   9.237  -1.283
  458   1HG   PRO 616          2HG       PRO 616   2.317   7.686  -3.279
  459   2HG   PRO 616          1HG       PRO 616   3.428   8.696  -2.333
  460   1HD   PRO 616          2HD       PRO 616   2.906   5.751  -2.135
  461   2HD   PRO 616          1HD       PRO 616   4.447   6.631  -2.048
  462    H    ASN 617           H        ASN 617   1.131   8.306   2.268
  463    HA   ASN 617           HA       ASN 617  -0.115   5.907   2.999
  464   1HB   ASN 617          2HB       ASN 617   0.421   7.943   4.463
  465   2HB   ASN 617          1HB       ASN 617  -1.085   8.629   3.860
  466   1HD2  ASN 617          1HD2      ASN 617   0.040   5.494   5.098
  467   2HD2  ASN 617          2HD2      ASN 617  -1.282   5.259   6.185
  468    H    TYR 618           H        TYR 618  -2.333   5.311   3.028
  469    HA   TYR 618           HA       TYR 618  -3.687   5.736   0.601
  470   1HB   TYR 618          2HB       TYR 618  -3.963   3.716   2.002
  471   2HB   TYR 618          1HB       TYR 618  -4.809   4.683   3.205
  472    HD1  TYR 618           1HD      TYR 618  -4.999   4.020  -0.474
  473    HD2  TYR 618           2HD      TYR 618  -7.107   4.562   3.181
  474    HE1  TYR 618           1HE      TYR 618  -7.121   3.601  -1.643
  475    HE2  TYR 618           2HE      TYR 618  -9.236   4.143   2.022
  476    HH   TYR 618           HH       TYR 618 -10.051   4.393  -0.474
  477    H    ASP 619           H        ASP 619  -3.966   7.263   3.749
  478    HA   ASP 619           HA       ASP 619  -6.407   8.602   3.321
  479   1HB   ASP 619          2HB       ASP 619  -4.160   8.803   5.234
  480   2HB   ASP 619          1HB       ASP 619  -5.127  10.261   5.035
  481    H    SER 620           H        SER 620  -3.136   9.295   2.346
  482    HA   SER 620           HA       SER 620  -3.819  11.989   1.481
  483   1HB   SER 620          2HB       SER 620  -1.482  10.876   2.415
  484   2HB   SER 620          1HB       SER 620  -1.201  10.943   0.675
  485    HG   SER 620           HG       SER 620  -0.760  12.962   1.033
  486    H    LEU 621           H        LEU 621  -3.668   8.809   0.195
  487    HA   LEU 621           HA       LEU 621  -3.169   9.499  -2.524
  488   1HB   LEU 621          2HB       LEU 621  -3.922   7.088  -1.010
  489   2HB   LEU 621          1HB       LEU 621  -4.498   7.130  -2.665
  490    HG   LEU 621           HG       LEU 621  -1.629   7.300  -1.750
  491   1HD1  LEU 621          1HD1      LEU 621  -1.539   5.107  -2.070
  492   2HD1  LEU 621          2HD1      LEU 621  -2.251   5.263  -3.676
  493   3HD1  LEU 621          3HD1      LEU 621  -3.293   5.110  -2.260
  494   1HD2  LEU 621          1HD2      LEU 621  -1.622   8.689  -3.598
  495   2HD2  LEU 621          2HD2      LEU 621  -2.908   7.791  -4.407
  496   3HD2  LEU 621          3HD2      LEU 621  -1.282   7.113  -4.314
  Start of MODEL    2
    1   1H    GLY 450          1HT       GLY 450   3.677 -28.413   5.355
    2   2H    GLY 450          2HT       GLY 450   3.121 -28.057   6.913
    3   3H    GLY 450          3HT       GLY 450   3.245 -26.827   5.757
    4   1HA   GLY 450          1HA       GLY 450   1.073 -28.545   6.287
    5   2HA   GLY 450          2HA       GLY 450   1.145 -27.164   5.203
    6    H    SER 451           H        SER 451   0.541 -27.668   3.216
    7    HA   SER 451           HA       SER 451   1.729 -29.880   1.819
    8   1HB   SER 451          2HB       SER 451  -1.258 -29.990   1.847
    9   2HB   SER 451          1HB       SER 451  -0.090 -31.279   1.553
   10    HG   SER 451           HG       SER 451  -1.287 -31.218   3.658
   11    HA   PRO 452           HA       PRO 452   1.291 -27.305  -1.720
   12   1HB   PRO 452          2HB       PRO 452   0.157 -29.696  -3.100
   13   2HB   PRO 452          1HB       PRO 452   1.483 -28.637  -3.591
   14   1HG   PRO 452          2HG       PRO 452   1.980 -31.055  -2.599
   15   2HG   PRO 452          1HG       PRO 452   3.009 -29.671  -2.184
   16   1HD   PRO 452          2HD       PRO 452   0.926 -31.045  -0.551
   17   2HD   PRO 452          1HD       PRO 452   2.453 -30.299  -0.040
   18    H    VAL 453           H        VAL 453  -0.378 -25.939  -1.077
   19    HA   VAL 453           HA       VAL 453  -2.867 -26.299  -2.467
   20    HB   VAL 453           HB       VAL 453  -4.257 -25.937  -0.386
   21   1HG1  VAL 453          1HG1      VAL 453  -3.995 -28.109  -1.640
   22   2HG1  VAL 453          2HG1      VAL 453  -4.488 -28.255   0.047
   23   3HG1  VAL 453          3HG1      VAL 453  -2.816 -28.579  -0.415
   24   1HG2  VAL 453          1HG2      VAL 453  -1.673 -25.895   0.809
   25   2HG2  VAL 453          2HG2      VAL 453  -2.570 -27.268   1.457
   26   3HG2  VAL 453          3HG2      VAL 453  -3.246 -25.643   1.567
   27    H    ASP 454           H        ASP 454  -1.512 -24.378  -3.255
   28    HA   ASP 454           HA       ASP 454  -1.179 -22.130  -3.445
   29   1HB   ASP 454          2HB       ASP 454  -3.803 -22.506  -3.385
   30   2HB   ASP 454          1HB       ASP 454  -3.666 -21.602  -1.879
   31    H    SER 455           H        SER 455   0.024 -23.374  -1.171
   32    HA   SER 455           HA       SER 455  -0.340 -21.734   1.139
   33   1HB   SER 455          2HB       SER 455   1.790 -22.873   1.906
   34   2HB   SER 455          1HB       SER 455   0.461 -23.958   1.496
   35    HG   SER 455           HG       SER 455   2.835 -23.434   0.082
   36    H    ASN 456           H        ASN 456   2.079 -21.879  -1.451
   37    HA   ASN 456           HA       ASN 456   3.069 -19.256  -0.544
   38   1HB   ASN 456          2HB       ASN 456   5.224 -19.876  -1.655
   39   2HB   ASN 456          1HB       ASN 456   4.815 -20.888  -0.273
   40   1HD2  ASN 456          1HD2      ASN 456   6.608 -21.969  -1.771
   41   2HD2  ASN 456          2HD2      ASN 456   5.978 -23.196  -2.811
   42    H    ASP 457           H        ASP 457   0.841 -19.766  -2.349
   43    HA   ASP 457           HA       ASP 457   1.940 -18.634  -4.838
   44   1HB   ASP 457          2HB       ASP 457  -0.368 -20.480  -4.331
   45   2HB   ASP 457          1HB       ASP 457  -0.379 -19.432  -5.748
   46    H    LEU 458           H        LEU 458   1.196 -16.717  -5.556
   47    HA   LEU 458           HA       LEU 458  -1.265 -15.586  -4.557
   48   1HB   LEU 458          2HB       LEU 458   1.424 -14.528  -3.755
   49   2HB   LEU 458          1HB       LEU 458   0.048 -13.452  -3.888
   50    HG   LEU 458           HG       LEU 458   0.193 -15.863  -2.079
   51   1HD1  LEU 458          1HD1      LEU 458   1.683 -14.177  -1.267
   52   2HD1  LEU 458          2HD1      LEU 458   0.225 -14.149  -0.276
   53   3HD1  LEU 458          3HD1      LEU 458   0.472 -12.918  -1.514
   54   1HD2  LEU 458          1HD2      LEU 458  -2.050 -15.677  -2.320
   55   2HD2  LEU 458          2HD2      LEU 458  -1.966 -13.993  -2.839
   56   3HD2  LEU 458          3HD2      LEU 458  -1.832 -14.397  -1.127
   57    H    GLY 459           H        GLY 459  -2.186 -14.379  -6.084
   58   1HA   GLY 459          2HA       GLY 459  -0.577 -13.706  -8.447
   59   2HA   GLY 459          1HA       GLY 459  -2.328 -13.837  -8.401
   60    HA   PRO 460           HA       PRO 460  -2.334  -9.403  -8.253
   61   1HB   PRO 460          2HB       PRO 460  -4.906  -8.998  -7.502
   62   2HB   PRO 460          1HB       PRO 460  -4.458  -9.518  -9.131
   63   1HG   PRO 460          2HG       PRO 460  -5.449 -11.156  -6.826
   64   2HG   PRO 460          1HG       PRO 460  -5.915 -11.234  -8.536
   65   1HD   PRO 460          2HD       PRO 460  -4.166 -12.976  -7.420
   66   2HD   PRO 460          1HD       PRO 460  -4.053 -12.465  -9.116
   67    H    LEU 461           H        LEU 461  -0.953 -10.201  -6.143
   68    HA   LEU 461           HA       LEU 461  -0.377  -9.720  -3.997
   69   1HB   LEU 461          2HB       LEU 461  -2.432  -7.543  -4.395
   70   2HB   LEU 461          1HB       LEU 461  -1.346  -7.636  -3.022
   71    HG   LEU 461           HG       LEU 461  -0.662  -7.075  -5.897
   72   1HD1  LEU 461          1HD1      LEU 461  -1.334  -5.186  -4.496
   73   2HD1  LEU 461          2HD1      LEU 461   0.368  -5.084  -4.950
   74   3HD1  LEU 461          3HD1      LEU 461  -0.081  -5.608  -3.328
   75   1HD2  LEU 461          1HD2      LEU 461   1.009  -8.621  -5.311
   76   2HD2  LEU 461          2HD2      LEU 461   1.140  -7.985  -3.672
   77   3HD2  LEU 461          3HD2      LEU 461   1.732  -7.036  -5.035
   78    HA   PRO 462           HA       PRO 462  -3.116 -11.682  -1.170
   79   1HB   PRO 462          2HB       PRO 462  -2.586  -9.760   0.977
   80   2HB   PRO 462          1HB       PRO 462  -2.127 -11.456   0.859
   81   1HG   PRO 462          2HG       PRO 462  -0.319  -9.464   0.678
   82   2HG   PRO 462          1HG       PRO 462  -0.147 -10.988  -0.212
   83   1HD   PRO 462          2HD       PRO 462  -1.104  -8.321  -1.185
   84   2HD   PRO 462          1HD       PRO 462  -0.038  -9.495  -1.986
   85    HA   PRO 463           HA       PRO 463  -7.030  -9.703  -0.694
   86   1HB   PRO 463          2HB       PRO 463  -7.900 -10.411   1.778
   87   2HB   PRO 463          1HB       PRO 463  -7.810 -11.550   0.430
   88   1HG   PRO 463          2HG       PRO 463  -5.896 -11.141   2.696
   89   2HG   PRO 463          1HG       PRO 463  -6.485 -12.656   1.988
   90   1HD   PRO 463          2HD       PRO 463  -4.060 -11.613   1.388
   91   2HD   PRO 463          1HD       PRO 463  -5.012 -12.549   0.218
   92    H    GLY 464           H        GLY 464  -7.495  -7.611  -0.432
   93   1HA   GLY 464          2HA       GLY 464  -7.925  -5.666   0.825
   94   2HA   GLY 464          1HA       GLY 464  -6.938  -6.314   2.124
   95    H    TRP 465           H        TRP 465  -4.962  -6.918  -0.263
   96    HA   TRP 465           HA       TRP 465  -3.519  -4.409   0.064
   97   1HB   TRP 465          2HB       TRP 465  -2.773  -7.153  -0.913
   98   2HB   TRP 465          1HB       TRP 465  -1.713  -5.775  -1.178
   99    HD1  TRP 465           HD       TRP 465  -3.048  -8.012   1.612
  100    HE1  TRP 465           1HE      TRP 465  -1.591  -7.649   3.701
  101    HE3  TRP 465           3HE      TRP 465  -0.273  -4.047  -0.023
  102    HZ2  TRP 465           2HZ      TRP 465   0.458  -5.911   4.537
  103    HZ3  TRP 465           3HZ      TRP 465   1.417  -3.088   1.491
  104    HH2  TRP 465           HH       TRP 465   1.769  -4.005   3.729
  105    H    GLU 466           H        GLU 466  -2.344  -3.527  -1.834
  106    HA   GLU 466           HA       GLU 466  -3.580  -3.966  -4.425
  107   1HB   GLU 466          2HB       GLU 466  -4.308  -1.774  -2.679
  108   2HB   GLU 466          1HB       GLU 466  -3.613  -1.179  -4.179
  109   1HG   GLU 466          2HG       GLU 466  -5.722  -3.279  -4.287
  110   2HG   GLU 466          1HG       GLU 466  -6.179  -1.608  -3.966
  111    H    GLU 467           H        GLU 467  -2.279  -3.365  -6.129
  112    HA   GLU 467           HA       GLU 467   0.448  -2.595  -5.416
  113   1HB   GLU 467          2HB       GLU 467   1.067  -3.366  -7.633
  114   2HB   GLU 467          1HB       GLU 467   0.109  -4.596  -6.820
  115   1HG   GLU 467          2HG       GLU 467  -1.874  -3.443  -8.084
  116   2HG   GLU 467          1HG       GLU 467  -0.585  -2.879  -9.147
  117    H    ARG 468           H        ARG 468   0.618  -0.422  -5.256
  118    HA   ARG 468           HA       ARG 468  -0.513   1.216  -7.425
  119   1HB   ARG 468          2HB       ARG 468   0.055   1.755  -4.539
  120   2HB   ARG 468          1HB       ARG 468   0.097   3.094  -5.676
  121   1HG   ARG 468          2HG       ARG 468  -2.270   1.351  -5.839
  122   2HG   ARG 468          1HG       ARG 468  -2.108   2.305  -4.362
  123   1HD   ARG 468          2HD       ARG 468  -3.253   3.780  -5.690
  124   2HD   ARG 468          1HD       ARG 468  -1.592   4.244  -6.053
  125    HE   ARG 468           HE       ARG 468  -1.922   3.556  -8.204
  126   1HH1  ARG 468          1HH1      ARG 468  -4.354   2.105  -6.178
  127   2HH1  ARG 468          2HH1      ARG 468  -5.237   1.424  -7.504
  128   1HH2  ARG 468          1HH2      ARG 468  -3.078   2.662  -9.958
  129   2HH2  ARG 468          2HH2      ARG 468  -4.512   1.739  -9.651
  130    H    THR 469           H        THR 469   0.776   2.894  -8.347
  131    HA   THR 469           HA       THR 469   3.596   2.176  -8.475
  132    HB   THR 469           HB       THR 469   3.723   3.700 -10.385
  133    HG1  THR 469           1HG      THR 469   2.171   5.104 -10.799
  134   1HG2  THR 469          1HG2      THR 469   3.139   1.750 -11.354
  135   2HG2  THR 469          2HG2      THR 469   1.588   2.549 -11.616
  136   3HG2  THR 469          3HG2      THR 469   1.805   1.478 -10.232
  137    H    HIS 470           H        HIS 470   5.202   3.295  -7.582
  138    HA   HIS 470           HA       HIS 470   4.603   5.546  -5.894
  139   1HB   HIS 470          2HB       HIS 470   6.291   3.687  -5.405
  140   2HB   HIS 470          1HB       HIS 470   7.355   4.499  -6.548
  141    HD2  HIS 470           2HD      HIS 470   8.885   6.417  -5.470
  142    HE1  HIS 470           1HE      HIS 470   6.695   6.890  -1.879
  143    HE2  HIS 470           2HE      HIS 470   8.851   7.449  -3.091
  144    H    THR 471           H        THR 471   5.991   7.525  -5.964
  145    HA   THR 471           HA       THR 471   5.654   8.907  -8.363
  146    HB   THR 471           HB       THR 471   7.837   9.983  -6.764
  147    HG1  THR 471           1HG      THR 471   6.368  10.341  -4.921
  148   1HG2  THR 471          1HG2      THR 471   6.854  11.793  -7.614
  149   2HG2  THR 471          2HG2      THR 471   5.508  11.529  -6.505
  150   3HG2  THR 471          3HG2      THR 471   5.458  10.846  -8.130
  151    H    ASP 472           H        ASP 472   8.246   6.876  -7.284
  152    HA   ASP 472           HA       ASP 472  10.083   7.844  -9.316
  153   1HB   ASP 472          2HB       ASP 472  10.315   5.710  -7.195
  154   2HB   ASP 472          1HB       ASP 472  11.577   6.027  -8.381
  155    H    GLY 473           H        GLY 473   7.584   5.566  -9.145
  156   1HA   GLY 473          2HA       GLY 473   6.923   4.510 -11.223
  157   2HA   GLY 473          1HA       GLY 473   8.626   4.263 -11.575
  158    H    ARG 474           H        ARG 474   8.868   3.500  -8.583
  159    HA   ARG 474           HA       ARG 474   8.598   0.679  -9.025
  160   1HB   ARG 474          2HB       ARG 474   9.236   2.095  -6.432
  161   2HB   ARG 474          1HB       ARG 474   9.578   0.419  -6.838
  162   1HG   ARG 474          2HG       ARG 474  11.254   1.038  -8.389
  163   2HG   ARG 474          1HG       ARG 474  10.771   2.734  -8.334
  164   1HD   ARG 474          2HD       ARG 474  12.233   3.077  -6.706
  165   2HD   ARG 474          1HD       ARG 474  11.334   1.959  -5.682
  166    HE   ARG 474           HE       ARG 474  12.939   0.322  -6.112
  167   1HH1  ARG 474          1HH1      ARG 474  13.423   3.059  -8.226
  168   2HH1  ARG 474          2HH1      ARG 474  14.979   2.526  -8.764
  169   1HH2  ARG 474          1HH2      ARG 474  14.980  -0.381  -6.821
  170   2HH2  ARG 474          2HH2      ARG 474  15.864   0.569  -7.968
  171    H    VAL 475           H        VAL 475   6.851  -0.520  -8.654
  172    HA   VAL 475           HA       VAL 475   4.530   0.655  -7.434
  173    HB   VAL 475           HB       VAL 475   4.381  -0.851  -9.390
  174   1HG1  VAL 475          1HG1      VAL 475   4.822  -3.161  -9.288
  175   2HG1  VAL 475          2HG1      VAL 475   4.914  -3.161  -7.523
  176   3HG1  VAL 475          3HG1      VAL 475   6.186  -2.401  -8.474
  177   1HG2  VAL 475          1HG2      VAL 475   2.870  -1.554  -6.870
  178   2HG2  VAL 475          2HG2      VAL 475   2.445  -2.224  -8.449
  179   3HG2  VAL 475          3HG2      VAL 475   2.382  -0.486  -8.182
  180    H    PHE 476           H        PHE 476   4.333   0.785  -5.306
  181    HA   PHE 476           HA       PHE 476   5.558  -1.226  -3.585
  182   1HB   PHE 476          2HB       PHE 476   5.053   0.291  -1.749
  183   2HB   PHE 476          1HB       PHE 476   5.866   1.164  -3.043
  184    HD1  PHE 476           1HD      PHE 476   2.602   0.551  -1.447
  185    HD2  PHE 476           2HD      PHE 476   4.831   2.985  -4.131
  186    HE1  PHE 476           1HE      PHE 476   0.765   2.186  -1.480
  187    HE2  PHE 476           2HE      PHE 476   2.999   4.627  -4.169
  188    HZ   PHE 476           HZ       PHE 476   0.962   4.229  -2.842
  189    H    PHE 477           H        PHE 477   4.130  -1.687  -1.522
  190    HA   PHE 477           HA       PHE 477   1.546  -2.669  -2.528
  191   1HB   PHE 477          2HB       PHE 477   3.087  -3.650  -0.121
  192   2HB   PHE 477          1HB       PHE 477   1.667  -4.397  -0.844
  193    HD1  PHE 477           1HD      PHE 477   5.205  -3.516  -1.523
  194    HD2  PHE 477           2HD      PHE 477   1.892  -5.993  -2.524
  195    HE1  PHE 477           1HE      PHE 477   6.662  -4.876  -2.964
  196    HE2  PHE 477           2HE      PHE 477   3.345  -7.358  -3.967
  197    HZ   PHE 477           HZ       PHE 477   5.733  -6.800  -4.188
  198    H    ILE 478           H        ILE 478  -0.333  -2.465  -1.255
  199    HA   ILE 478           HA       ILE 478  -0.184  -0.844   1.161
  200    HB   ILE 478           HB       ILE 478  -0.427   0.780  -0.711
  201   1HG1  ILE 478          2HG1      ILE 478  -2.737   0.494   1.210
  202   2HG1  ILE 478          1HG1      ILE 478  -1.296   1.482   1.406
  203   1HG2  ILE 478          1HG2      ILE 478  -1.811  -0.893  -2.077
  204   2HG2  ILE 478          2HG2      ILE 478  -2.223   0.818  -2.174
  205   3HG2  ILE 478          3HG2      ILE 478  -3.184  -0.265  -1.169
  206   1HD1  ILE 478          1HD1      ILE 478  -2.529   2.380  -0.955
  207   2HD1  ILE 478          2HD1      ILE 478  -2.447   3.203   0.605
  208   3HD1  ILE 478          3HD1      ILE 478  -3.819   2.161   0.229
  209    H    ASN 479           H        ASN 479  -1.509  -1.660   2.647
  210    HA   ASN 479           HA       ASN 479  -3.593  -3.516   1.785
  211   1HB   ASN 479          2HB       ASN 479  -3.567  -4.402   3.987
  212   2HB   ASN 479          1HB       ASN 479  -1.885  -4.135   3.551
  213   1HD2  ASN 479          1HD2      ASN 479  -2.541  -4.437   6.147
  214   2HD2  ASN 479          2HD2      ASN 479  -2.391  -2.936   6.988
  215    H    HIS 480           H        HIS 480  -5.735  -3.406   2.611
  216    HA   HIS 480           HA       HIS 480  -6.579  -0.648   3.148
  217   1HB   HIS 480          2HB       HIS 480  -8.041  -3.035   2.026
  218   2HB   HIS 480          1HB       HIS 480  -8.869  -1.560   2.513
  219    HD2  HIS 480           2HD      HIS 480  -5.538  -1.726   0.419
  220    HE1  HIS 480           1HE      HIS 480  -8.575   0.188  -1.823
  221    HE2  HIS 480           2HE      HIS 480  -6.101  -0.357  -1.712
  222    H    ASN 481           H        ASN 481  -6.137  -3.587   4.767
  223    HA   ASN 481           HA       ASN 481  -8.308  -3.692   6.514
  224   1HB   ASN 481          2HB       ASN 481  -5.526  -4.332   7.453
  225   2HB   ASN 481          1HB       ASN 481  -7.039  -5.141   7.847
  226   1HD2  ASN 481          1HD2      ASN 481  -4.416  -4.901   5.651
  227   2HD2  ASN 481          2HD2      ASN 481  -4.836  -6.244   4.653
  228    H    ILE 482           H        ILE 482  -5.192  -2.031   6.898
  229    HA   ILE 482           HA       ILE 482  -6.487  -0.224   8.824
  230    HB   ILE 482           HB       ILE 482  -4.122  -0.102   9.895
  231   1HG1  ILE 482          2HG1      ILE 482  -4.043  -2.845   8.615
  232   2HG1  ILE 482          1HG1      ILE 482  -2.998  -1.489   8.205
  233   1HG2  ILE 482          1HG2      ILE 482  -6.307  -1.057  10.828
  234   2HG2  ILE 482          2HG2      ILE 482  -4.797  -1.588  11.568
  235   3HG2  ILE 482          3HG2      ILE 482  -5.636  -2.638  10.426
  236   1HD1  ILE 482          1HD1      ILE 482  -2.745  -1.860  10.971
  237   2HD1  ILE 482          2HD1      ILE 482  -1.559  -2.215   9.714
  238   3HD1  ILE 482          3HD1      ILE 482  -2.686  -3.465  10.242
  239    H    LYS 483           H        LYS 483  -5.811  -0.068   5.915
  240    HA   LYS 483           HA       LYS 483  -4.750   1.289   4.398
  241   1HB   LYS 483          2HB       LYS 483  -5.464   3.279   6.556
  242   2HB   LYS 483          1HB       LYS 483  -5.098   3.682   4.884
  243   1HG   LYS 483          2HG       LYS 483  -7.439   3.706   5.053
  244   2HG   LYS 483          1HG       LYS 483  -7.037   2.194   4.237
  245   1HD   LYS 483          2HD       LYS 483  -7.737   0.916   5.976
  246   2HD   LYS 483          1HD       LYS 483  -7.218   2.091   7.187
  247   1HE   LYS 483          2HE       LYS 483  -9.588   2.016   7.273
  248   2HE   LYS 483          1HE       LYS 483  -9.154   3.526   6.474
  249   1HZ   LYS 483          1HZ       LYS 483  -9.815   2.717   4.416
  250   2HZ   LYS 483          2HZ       LYS 483 -11.003   2.114   5.458
  251   3HZ   LYS 483          3HZ       LYS 483  -9.767   1.099   4.909
  252    H    LYS 484           H        LYS 484  -2.627   0.338   4.708
  253    HA   LYS 484           HA       LYS 484  -0.696   2.349   5.502
  254   1HB   LYS 484          2HB       LYS 484  -1.372   0.408   7.349
  255   2HB   LYS 484          1HB       LYS 484   0.070  -0.251   6.590
  256   1HG   LYS 484          2HG       LYS 484   1.417   1.252   7.555
  257   2HG   LYS 484          1HG       LYS 484   0.277   2.578   7.311
  258   1HD   LYS 484          2HD       LYS 484  -0.959   0.970   9.196
  259   2HD   LYS 484          1HD       LYS 484   0.744   0.933   9.657
  260   1HE   LYS 484          2HE       LYS 484   0.836   3.274   9.895
  261   2HE   LYS 484          1HE       LYS 484  -0.687   3.501   9.039
  262   1HZ   LYS 484          1HZ       LYS 484  -0.232   2.581  11.796
  263   2HZ   LYS 484          2HZ       LYS 484  -1.644   2.127  10.986
  264   3HZ   LYS 484          3HZ       LYS 484  -1.298   3.764  11.226
  265    H    THR 485           H        THR 485   0.792   2.447   3.964
  266    HA   THR 485           HA       THR 485   1.131   0.171   2.159
  267    HB   THR 485           HB       THR 485   0.782   2.133   0.912
  268    HG1  THR 485           1HG      THR 485   3.607   2.118   0.966
  269   1HG2  THR 485          1HG2      THR 485   2.472   4.112   1.365
  270   2HG2  THR 485          2HG2      THR 485   2.508   3.409   2.982
  271   3HG2  THR 485          3HG2      THR 485   0.980   3.959   2.293
  272    H    GLN 486           H        GLN 486   3.390  -0.257   1.360
  273    HA   GLN 486           HA       GLN 486   5.561   0.403   3.137
  274   1HB   GLN 486          2HB       GLN 486   6.043  -2.051   3.584
  275   2HB   GLN 486          1HB       GLN 486   4.696  -1.347   4.470
  276   1HG   GLN 486          2HG       GLN 486   3.124  -2.523   3.293
  277   2HG   GLN 486          1HG       GLN 486   4.158  -2.705   1.881
  278   1HE2  GLN 486          1HE2      GLN 486   5.430  -4.455   1.693
  279   2HE2  GLN 486          2HE2      GLN 486   5.487  -5.742   2.841
  280    H    TRP 487           H        TRP 487   7.591  -0.099   2.284
  281    HA   TRP 487           HA       TRP 487   7.695  -0.311  -0.562
  282   1HB   TRP 487          2HB       TRP 487   9.644   0.095   1.641
  283   2HB   TRP 487          1HB       TRP 487  10.277  -0.579   0.144
  284    HD1  TRP 487           HD       TRP 487  10.053   2.610   1.692
  285    HE1  TRP 487           1HE      TRP 487   9.955   4.538  -0.011
  286    HE3  TRP 487           3HE      TRP 487   8.833  -0.063  -2.492
  287    HZ2  TRP 487           2HZ      TRP 487   9.430   4.880  -2.765
  288    HZ3  TRP 487           3HZ      TRP 487   8.551   1.139  -4.619
  289    HH2  TRP 487           HH       TRP 487   8.843   3.559  -4.752
  290    H    GLU 488           H        GLU 488   8.495  -2.466   2.125
  291    HA   GLU 488           HA       GLU 488   9.683  -4.523   0.641
  292   1HB   GLU 488          2HB       GLU 488   8.959  -4.073   3.330
  293   2HB   GLU 488          1HB       GLU 488   8.207  -5.592   2.864
  294   1HG   GLU 488          2HG       GLU 488  10.174  -6.476   3.446
  295   2HG   GLU 488          1HG       GLU 488  10.687  -5.931   1.849
  296    H    ASP 489           H        ASP 489   8.526  -6.851   0.892
  297    HA   ASP 489           HA       ASP 489   5.991  -6.597  -0.580
  298   1HB   ASP 489          2HB       ASP 489   7.880  -8.947  -0.687
  299   2HB   ASP 489          1HB       ASP 489   6.537  -8.595  -1.769
  300    HA   PRO 490           HA       PRO 490   4.440  -8.713   3.086
  301   1HB   PRO 490          2HB       PRO 490   1.819  -8.388   2.579
  302   2HB   PRO 490          1HB       PRO 490   2.836  -7.061   3.156
  303   1HG   PRO 490          2HG       PRO 490   1.883  -7.654   0.387
  304   2HG   PRO 490          1HG       PRO 490   2.017  -6.094   1.216
  305   1HD   PRO 490          2HD       PRO 490   3.851  -7.044  -0.596
  306   2HD   PRO 490          1HD       PRO 490   4.225  -5.866   0.677
  307    H    ARG 491           H        ARG 491   3.353  -9.353  -0.219
  308    HA   ARG 491           HA       ARG 491   2.128 -11.857   0.411
  309   1HB   ARG 491          2HB       ARG 491   2.253 -12.158  -2.132
  310   2HB   ARG 491          1HB       ARG 491   1.283 -10.830  -1.515
  311   1HG   ARG 491          2HG       ARG 491   2.779  -9.225  -2.226
  312   2HG   ARG 491          1HG       ARG 491   4.129 -10.360  -2.275
  313   1HD   ARG 491          2HD       ARG 491   1.809 -10.176  -4.187
  314   2HD   ARG 491          1HD       ARG 491   3.509  -9.853  -4.527
  315    HE   ARG 491           HE       ARG 491   2.215 -12.385  -4.555
  316   1HH1  ARG 491          1HH1      ARG 491   5.237 -10.815  -3.820
  317   2HH1  ARG 491          2HH1      ARG 491   6.192 -12.226  -4.131
  318   1HH2  ARG 491          1HH2      ARG 491   3.462 -14.246  -4.966
  319   2HH2  ARG 491          2HH2      ARG 491   5.183 -14.177  -4.782
  320    H    MET 492           H        MET 492   5.369 -10.888  -0.043
  321    HA   MET 492           HA       MET 492   6.311 -13.446  -0.988
  322   1HB   MET 492          2HB       MET 492   7.416 -11.295  -1.586
  323   2HB   MET 492          1HB       MET 492   7.894 -11.112   0.097
  324   1HG   MET 492          2HG       MET 492   9.678 -11.988  -1.381
  325   2HG   MET 492          1HG       MET 492   9.297 -13.033  -0.014
  326   1HE   MET 492          1HE       MET 492  10.188 -15.186  -0.704
  327   2HE   MET 492          2HE       MET 492  10.972 -14.509  -2.131
  328   3HE   MET 492          3HE       MET 492   9.988 -15.966  -2.272
  329    H    GLN 493           H        GLN 493   5.527 -12.094   2.044
  330    HA   GLN 493           HA       GLN 493   7.293 -13.915   3.496
  331   1HB   GLN 493          2HB       GLN 493   5.852 -11.425   4.132
  332   2HB   GLN 493          1HB       GLN 493   5.859 -12.622   5.420
  333   1HG   GLN 493          2HG       GLN 493   7.707 -10.966   5.534
  334   2HG   GLN 493          1HG       GLN 493   8.235 -12.648   5.492
  335   1HE2  GLN 493          1HE2      GLN 493   8.989  -9.714   4.406
  336   2HE2  GLN 493          2HE2      GLN 493   9.751 -10.109   2.907
  337    H    ASN 494           H        ASN 494   5.801 -15.587   2.321
  338    HA   ASN 494           HA       ASN 494   3.226 -16.019   3.510
  339   1HB   ASN 494          2HB       ASN 494   4.949 -17.564   1.594
  340   2HB   ASN 494          1HB       ASN 494   3.511 -18.299   2.297
  341   1HD2  ASN 494          1HD2      ASN 494   4.693 -16.475  -0.216
  342   2HD2  ASN 494          2HD2      ASN 494   3.200 -15.850  -0.822
  343    H    VAL 495           H        VAL 495   5.991 -18.263   3.394
  344    HA   VAL 495           HA       VAL 495   5.986 -18.602   6.255
  345    HB   VAL 495           HB       VAL 495   5.476 -20.994   6.255
  346   1HG1  VAL 495          1HG1      VAL 495   3.099 -20.840   6.049
  347   2HG1  VAL 495          2HG1      VAL 495   3.231 -19.465   4.952
  348   3HG1  VAL 495          3HG1      VAL 495   3.697 -19.291   6.645
  349   1HG2  VAL 495          1HG2      VAL 495   4.814 -22.212   4.386
  350   2HG2  VAL 495          2HG2      VAL 495   6.125 -21.208   3.767
  351   3HG2  VAL 495          3HG2      VAL 495   4.449 -20.764   3.450
  352    H    ALA 496           H        ALA 496   7.974 -17.764   4.512
  353    HA   ALA 496           HA       ALA 496  10.081 -19.544   5.193
  354   1HB   ALA 496          1HB       ALA 496   8.932 -20.566   3.097
  355   2HB   ALA 496          2HB       ALA 496  10.692 -20.475   3.170
  356   3HB   ALA 496          3HB       ALA 496   9.785 -19.290   2.230
  357    H    ILE 497           H        ILE 497  12.200 -18.793   4.133
  358    HA   ILE 497           HA       ILE 497  12.237 -16.062   3.202
  359    HB   ILE 497           HB       ILE 497  13.482 -16.716   5.876
  360   1HG1  ILE 497          2HG1      ILE 497  11.099 -15.017   5.114
  361   2HG1  ILE 497          1HG1      ILE 497  11.104 -16.448   6.143
  362   1HG2  ILE 497          1HG2      ILE 497  14.753 -14.908   5.659
  363   2HG2  ILE 497          2HG2      ILE 497  13.370 -13.922   5.181
  364   3HG2  ILE 497          3HG2      ILE 497  14.261 -14.841   3.967
  365   1HD1  ILE 497          1HD1      ILE 497  10.901 -14.545   7.549
  366   2HD1  ILE 497          2HD1      ILE 497  12.268 -13.745   6.769
  367   3HD1  ILE 497          3HD1      ILE 497  12.532 -15.183   7.756
  368    H    THR 498           H        THR 498  14.572 -18.078   4.988
  369    HA   THR 498           HA       THR 498  16.608 -17.580   3.022
  370    HB   THR 498           HB       THR 498  17.175 -17.801   5.409
  371    HG1  THR 498           1HG      THR 498  18.288 -19.696   3.603
  372   1HG2  THR 498          1HG2      THR 498  16.745 -19.631   6.682
  373   2HG2  THR 498          2HG2      THR 498  16.944 -20.749   5.332
  374   3HG2  THR 498          3HG2      THR 498  15.440 -19.847   5.516
  375    H    GLY 499           H        GLY 499  16.986 -18.723   1.241
  376   1HA   GLY 499          2HA       GLY 499  17.379 -21.226   0.663
  377   2HA   GLY 499          1HA       GLY 499  15.647 -21.319   0.940
  378   1H    GLY 605          1HT       GLY 605  22.012   8.664  -0.616
  379   2H    GLY 605          2HT       GLY 605  22.502   9.794  -1.775
  380   3H    GLY 605          3HT       GLY 605  23.190   9.815  -0.230
  381   1HA   GLY 605          1HA       GLY 605  24.621   8.823  -2.008
  382   2HA   GLY 605          2HA       GLY 605  24.368   7.830  -0.582
  383    H    SER 606           H        SER 606  25.193   6.472  -2.662
  384    HA   SER 606           HA       SER 606  23.182   5.604  -4.467
  385   1HB   SER 606          2HB       SER 606  25.799   5.389  -4.581
  386   2HB   SER 606          1HB       SER 606  25.512   3.866  -3.740
  387    HG   SER 606           HG       SER 606  24.722   4.656  -6.315
  388    H    THR 607           H        THR 607  24.365   4.392  -1.372
  389    HA   THR 607           HA       THR 607  22.944   1.957  -1.373
  390    HB   THR 607           HB       THR 607  23.177   2.181   1.182
  391    HG1  THR 607           1HG      THR 607  25.025   4.222   0.542
  392   1HG2  THR 607          1HG2      THR 607  25.616   1.738   1.070
  393   2HG2  THR 607          2HG2      THR 607  25.601   2.255  -0.617
  394   3HG2  THR 607          3HG2      THR 607  24.694   0.825  -0.124
  395    H    LEU 608           H        LEU 608  22.233   4.935   0.459
  396    HA   LEU 608           HA       LEU 608  20.290   5.727   1.354
  397   1HB   LEU 608          2HB       LEU 608  19.876   6.312  -0.936
  398   2HB   LEU 608          1HB       LEU 608  19.335   4.687  -1.308
  399    HG   LEU 608           HG       LEU 608  17.699   5.714   0.794
  400   1HD1  LEU 608          1HD1      LEU 608  18.643   7.855  -0.503
  401   2HD1  LEU 608          2HD1      LEU 608  17.004   7.762   0.139
  402   3HD1  LEU 608          3HD1      LEU 608  17.302   7.441  -1.569
  403   1HD2  LEU 608          1HD2      LEU 608  15.964   5.027  -0.585
  404   2HD2  LEU 608          2HD2      LEU 608  17.299   3.989  -1.089
  405   3HD2  LEU 608          3HD2      LEU 608  16.858   5.392  -2.061
  406    HA   PRO 609           HA       PRO 609  18.920   1.367   2.570
  407   1HB   PRO 609          2HB       PRO 609  19.789   1.473   5.140
  408   2HB   PRO 609          1HB       PRO 609  20.805   0.906   3.809
  409   1HG   PRO 609          2HG       PRO 609  20.725   3.605   5.111
  410   2HG   PRO 609          1HG       PRO 609  22.134   2.625   4.661
  411   1HD   PRO 609          2HD       PRO 609  21.279   4.675   3.137
  412   2HD   PRO 609          1HD       PRO 609  21.981   3.207   2.427
  413    H    ILE 610           H        ILE 610  18.802   4.504   4.166
  414    HA   ILE 610           HA       ILE 610  16.156   3.809   5.259
  415    HB   ILE 610           HB       ILE 610  18.022   5.982   6.217
  416   1HG1  ILE 610          2HG1      ILE 610  17.378   3.326   7.517
  417   2HG1  ILE 610          1HG1      ILE 610  18.861   3.662   6.631
  418   1HG2  ILE 610          1HG2      ILE 610  16.501   6.410   7.934
  419   2HG2  ILE 610          2HG2      ILE 610  15.635   4.897   7.672
  420   3HG2  ILE 610          3HG2      ILE 610  15.485   6.212   6.506
  421   1HD1  ILE 610          1HD1      ILE 610  19.594   4.059   8.734
  422   2HD1  ILE 610          2HD1      ILE 610  18.006   4.559   9.315
  423   3HD1  ILE 610          3HD1      ILE 610  18.983   5.669   8.355
  424    HA   PRO 611           HA       PRO 611  15.256   6.797   1.852
  425   1HB   PRO 611          2HB       PRO 611  12.643   5.959   1.640
  426   2HB   PRO 611          1HB       PRO 611  13.990   5.263   0.734
  427   1HG   PRO 611          2HG       PRO 611  12.672   4.276   3.230
  428   2HG   PRO 611          1HG       PRO 611  13.235   3.359   1.820
  429   1HD   PRO 611          2HD       PRO 611  14.648   3.441   4.099
  430   2HD   PRO 611          1HD       PRO 611  15.446   3.406   2.512
  431    H    GLY 612           H        GLY 612  13.282   5.960   4.681
  432   1HA   GLY 612          2HA       GLY 612  13.077   8.055   6.161
  433   2HA   GLY 612          1HA       GLY 612  12.285   8.730   4.745
  434    H    THR 613           H        THR 613  10.182   8.217   4.310
  435    HA   THR 613           HA       THR 613   8.845   6.486   6.287
  436    HB   THR 613           HB       THR 613   6.874   7.859   6.129
  437    HG1  THR 613           1HG      THR 613   8.302   9.490   4.278
  438   1HG2  THR 613          1HG2      THR 613   8.181   8.791   7.783
  439   2HG2  THR 613          2HG2      THR 613   7.975  10.172   6.707
  440   3HG2  THR 613          3HG2      THR 613   9.468   9.235   6.663
  441    HA   PRO 614           HA       PRO 614   7.236   3.827   3.174
  442   1HB   PRO 614          2HB       PRO 614   4.512   4.329   4.251
  443   2HB   PRO 614          1HB       PRO 614   5.372   2.802   4.031
  444   1HG   PRO 614          2HG       PRO 614   5.057   3.860   6.459
  445   2HG   PRO 614          1HG       PRO 614   6.559   3.032   6.007
  446   1HD   PRO 614          2HD       PRO 614   6.001   5.957   6.245
  447   2HD   PRO 614          1HD       PRO 614   7.471   5.049   6.656
  448    HA   PRO 615           HA       PRO 615   5.804   6.022  -0.368
  449   1HB   PRO 615          2HB       PRO 615   3.677   3.930  -0.570
  450   2HB   PRO 615          1HB       PRO 615   4.788   4.528  -1.808
  451   1HG   PRO 615          2HG       PRO 615   5.208   2.178  -0.623
  452   2HG   PRO 615          1HG       PRO 615   6.558   3.254  -1.028
  453   1HD   PRO 615          2HD       PRO 615   5.341   2.659   1.621
  454   2HD   PRO 615          1HD       PRO 615   7.016   3.078   1.213
  455    HA   PRO 616           HA       PRO 616   2.353   8.668   0.357
  456   1HB   PRO 616          2HB       PRO 616   0.921   7.470  -1.973
  457   2HB   PRO 616          1HB       PRO 616   1.230   9.169  -1.594
  458   1HG   PRO 616          2HG       PRO 616   2.654   7.913  -3.461
  459   2HG   PRO 616          1HG       PRO 616   3.414   9.082  -2.366
  460   1HD   PRO 616          2HD       PRO 616   3.572   6.108  -2.370
  461   2HD   PRO 616          1HD       PRO 616   4.792   7.305  -1.894
  462    H    ASN 617           H        ASN 617   1.103   8.267   2.067
  463    HA   ASN 617           HA       ASN 617  -0.107   5.819   2.678
  464   1HB   ASN 617          2HB       ASN 617   0.218   8.289   3.949
  465   2HB   ASN 617          1HB       ASN 617  -1.526   8.061   3.852
  466   1HD2  ASN 617          1HD2      ASN 617   1.136   5.764   4.283
  467   2HD2  ASN 617          2HD2      ASN 617   0.559   5.110   5.775
  468    H    TYR 618           H        TYR 618  -2.327   5.197   2.697
  469    HA   TYR 618           HA       TYR 618  -3.690   5.694   0.299
  470   1HB   TYR 618          2HB       TYR 618  -3.940   3.669   1.787
  471   2HB   TYR 618          1HB       TYR 618  -4.940   4.657   2.848
  472    HD1  TYR 618           1HD      TYR 618  -7.210   4.385   2.601
  473    HD2  TYR 618           2HD      TYR 618  -4.720   3.902  -0.814
  474    HE1  TYR 618           1HE      TYR 618  -9.187   3.845   1.244
  475    HE2  TYR 618           2HE      TYR 618  -6.691   3.363  -2.182
  476    HH   TYR 618           HH       TYR 618  -8.894   2.773  -2.090
  477    H    ASP 619           H        ASP 619  -4.023   7.094   3.513
  478    HA   ASP 619           HA       ASP 619  -6.401   8.541   3.016
  479   1HB   ASP 619          2HB       ASP 619  -5.695   9.905   4.991
  480   2HB   ASP 619          1HB       ASP 619  -5.689   8.170   5.289
  481    H    SER 620           H        SER 620  -3.086   9.076   2.194
  482    HA   SER 620           HA       SER 620  -3.560  11.869   1.495
  483   1HB   SER 620          2HB       SER 620  -1.271  10.340   2.278
  484   2HB   SER 620          1HB       SER 620  -0.966  11.036   0.687
  485    HG   SER 620           HG       SER 620  -0.965  12.247   3.073
  486    H    LEU 621           H        LEU 621  -3.513   8.765   0.031
  487    HA   LEU 621           HA       LEU 621  -2.807   9.578  -2.610
  488   1HB   LEU 621          2HB       LEU 621  -3.800   7.127  -1.299
  489   2HB   LEU 621          1HB       LEU 621  -4.231   7.301  -2.990
  490    HG   LEU 621           HG       LEU 621  -1.426   7.312  -1.870
  491   1HD1  LEU 621          1HD1      LEU 621  -1.448   5.111  -2.114
  492   2HD1  LEU 621          2HD1      LEU 621  -1.942   5.278  -3.798
  493   3HD1  LEU 621          3HD1      LEU 621  -3.161   5.186  -2.526
  494   1HD2  LEU 621          1HD2      LEU 621  -0.844   7.163  -4.336
  495   2HD2  LEU 621          2HD2      LEU 621  -1.391   8.733  -3.747
  496   3HD2  LEU 621          3HD2      LEU 621  -2.494   7.698  -4.652
  Start of MODEL    3
    1   1H    GLY 450          1HT       GLY 450   7.646 -36.178   0.393
    2   2H    GLY 450          2HT       GLY 450   9.208 -35.689  -0.038
    3   3H    GLY 450          3HT       GLY 450   8.003 -35.807  -1.219
    4   1HA   GLY 450          1HA       GLY 450   6.812 -33.970  -0.349
    5   2HA   GLY 450          2HA       GLY 450   7.839 -33.942   1.077
    6    H    SER 451           H        SER 451   7.200 -32.233  -1.543
    7    HA   SER 451           HA       SER 451   9.821 -31.000  -1.563
    8   1HB   SER 451          2HB       SER 451   9.194 -31.133  -4.301
    9   2HB   SER 451          1HB       SER 451  10.520 -31.947  -3.471
   10    HG   SER 451           HG       SER 451   8.155 -32.960  -4.432
   11    HA   PRO 452           HA       PRO 452   7.252 -27.423  -1.973
   12   1HB   PRO 452          2HB       PRO 452   9.099 -25.603  -2.736
   13   2HB   PRO 452          1HB       PRO 452   9.033 -26.254  -1.095
   14   1HG   PRO 452          2HG       PRO 452  10.821 -27.023  -3.369
   15   2HG   PRO 452          1HG       PRO 452  11.224 -26.793  -1.657
   16   1HD   PRO 452          2HD       PRO 452  10.836 -29.243  -2.775
   17   2HD   PRO 452          1HD       PRO 452  10.480 -28.889  -1.073
   18    H    VAL 453           H        VAL 453   6.085 -28.350  -3.813
   19    HA   VAL 453           HA       VAL 453   7.020 -27.815  -6.480
   20    HB   VAL 453           HB       VAL 453   4.887 -28.711  -7.232
   21   1HG1  VAL 453          1HG1      VAL 453   6.462 -30.395  -6.801
   22   2HG1  VAL 453          2HG1      VAL 453   4.989 -30.942  -5.999
   23   3HG1  VAL 453          3HG1      VAL 453   6.293 -30.225  -5.053
   24   1HG2  VAL 453          1HG2      VAL 453   4.142 -28.641  -4.312
   25   2HG2  VAL 453          2HG2      VAL 453   3.234 -29.515  -5.545
   26   3HG2  VAL 453          3HG2      VAL 453   3.378 -27.760  -5.634
   27    H    ASP 454           H        ASP 454   4.746 -26.347  -4.227
   28    HA   ASP 454           HA       ASP 454   4.788 -23.904  -5.769
   29   1HB   ASP 454          2HB       ASP 454   2.818 -25.621  -6.468
   30   2HB   ASP 454          1HB       ASP 454   2.022 -24.761  -5.152
   31    H    SER 455           H        SER 455   5.890 -23.465  -3.686
   32    HA   SER 455           HA       SER 455   4.345 -23.387  -1.276
   33   1HB   SER 455          2HB       SER 455   6.291 -22.185  -0.339
   34   2HB   SER 455          1HB       SER 455   6.777 -23.650  -1.191
   35    HG   SER 455           HG       SER 455   7.593 -22.458  -2.813
   36    H    ASN 456           H        ASN 456   5.840 -20.756  -3.167
   37    HA   ASN 456           HA       ASN 456   3.879 -18.891  -2.077
   38   1HB   ASN 456          2HB       ASN 456   5.313 -17.198  -3.354
   39   2HB   ASN 456          1HB       ASN 456   6.070 -18.014  -1.989
   40   1HD2  ASN 456          1HD2      ASN 456   6.252 -17.312  -5.282
   41   2HD2  ASN 456          2HD2      ASN 456   7.604 -18.314  -5.675
   42    H    ASP 457           H        ASP 457   2.277 -17.961  -3.231
   43    HA   ASP 457           HA       ASP 457   2.154 -17.564  -5.965
   44   1HB   ASP 457          2HB       ASP 457   1.916 -20.293  -5.398
   45   2HB   ASP 457          1HB       ASP 457   0.269 -19.752  -5.709
   46    H    LEU 458           H        LEU 458   1.196 -15.685  -5.143
   47    HA   LEU 458           HA       LEU 458  -1.519 -16.010  -4.053
   48   1HB   LEU 458          2HB       LEU 458   0.523 -13.824  -3.782
   49   2HB   LEU 458          1HB       LEU 458  -1.172 -13.524  -3.454
   50    HG   LEU 458           HG       LEU 458   0.304 -15.740  -2.064
   51   1HD1  LEU 458          1HD1      LEU 458   0.498 -12.824  -1.618
   52   2HD1  LEU 458          2HD1      LEU 458   1.653 -14.109  -1.266
   53   3HD1  LEU 458          3HD1      LEU 458   0.282 -13.837  -0.191
   54   1HD2  LEU 458          1HD2      LEU 458  -2.220 -14.188  -1.582
   55   2HD2  LEU 458          2HD2      LEU 458  -1.439 -15.125  -0.308
   56   3HD2  LEU 458          3HD2      LEU 458  -2.015 -15.930  -1.768
   57    H    GLY 459           H        GLY 459   0.409 -14.360  -6.498
   58   1HA   GLY 459          2HA       GLY 459  -0.315 -13.769  -8.641
   59   2HA   GLY 459          1HA       GLY 459  -1.972 -14.044  -8.133
   60    HA   PRO 460           HA       PRO 460  -2.107  -9.573  -8.181
   61   1HB   PRO 460          2HB       PRO 460  -4.695  -9.264  -7.501
   62   2HB   PRO 460          1HB       PRO 460  -4.209  -9.833  -9.102
   63   1HG   PRO 460          2HG       PRO 460  -5.177 -11.405  -6.746
   64   2HG   PRO 460          1HG       PRO 460  -5.602 -11.580  -8.459
   65   1HD   PRO 460          2HD       PRO 460  -3.787 -13.176  -7.193
   66   2HD   PRO 460          1HD       PRO 460  -3.723 -12.809  -8.928
   67    H    LEU 461           H        LEU 461  -0.722 -10.295  -6.052
   68    HA   LEU 461           HA       LEU 461  -0.215  -9.821  -3.884
   69   1HB   LEU 461          2HB       LEU 461  -2.347  -7.715  -3.912
   70   2HB   LEU 461          1HB       LEU 461  -0.796  -7.699  -3.095
   71    HG   LEU 461           HG       LEU 461  -1.243  -7.406  -6.065
   72   1HD1  LEU 461          1HD1      LEU 461  -1.060  -5.529  -3.850
   73   2HD1  LEU 461          2HD1      LEU 461  -1.618  -5.282  -5.504
   74   3HD1  LEU 461          3HD1      LEU 461   0.104  -5.201  -5.133
   75   1HD2  LEU 461          1HD2      LEU 461   0.994  -8.422  -4.756
   76   2HD2  LEU 461          2HD2      LEU 461   1.389  -6.737  -5.095
   77   3HD2  LEU 461          3HD2      LEU 461   0.914  -7.813  -6.408
   78    HA   PRO 462           HA       PRO 462  -3.078 -11.689  -1.107
   79   1HB   PRO 462          2HB       PRO 462  -2.607  -9.824   1.072
   80   2HB   PRO 462          1HB       PRO 462  -2.051 -11.485   0.899
   81   1HG   PRO 462          2HG       PRO 462  -0.381  -9.344   0.798
   82   2HG   PRO 462          1HG       PRO 462  -0.068 -10.862  -0.062
   83   1HD   PRO 462          2HD       PRO 462  -1.162  -8.280  -1.108
   84   2HD   PRO 462          1HD       PRO 462   0.002  -9.396  -1.854
   85    HA   PRO 463           HA       PRO 463  -7.009  -9.705  -0.858
   86   1HB   PRO 463          2HB       PRO 463  -7.925 -10.415   1.631
   87   2HB   PRO 463          1HB       PRO 463  -7.929 -11.494   0.232
   88   1HG   PRO 463          2HG       PRO 463  -5.976 -11.327   2.492
   89   2HG   PRO 463          1HG       PRO 463  -6.654 -12.762   1.700
   90   1HD   PRO 463          2HD       PRO 463  -4.176 -11.872   1.144
   91   2HD   PRO 463          1HD       PRO 463  -5.208 -12.605  -0.102
   92    H    GLY 464           H        GLY 464  -7.532  -7.630  -0.538
   93   1HA   GLY 464          2HA       GLY 464  -7.942  -5.693   0.735
   94   2HA   GLY 464          1HA       GLY 464  -6.948  -6.357   2.021
   95    H    TRP 465           H        TRP 465  -4.960  -6.965  -0.318
   96    HA   TRP 465           HA       TRP 465  -3.526  -4.447  -0.023
   97   1HB   TRP 465          2HB       TRP 465  -2.776  -7.214  -0.929
   98   2HB   TRP 465          1HB       TRP 465  -1.711  -5.846  -1.233
   99    HD1  TRP 465           HD       TRP 465  -3.031  -8.025   1.604
  100    HE1  TRP 465           1HE      TRP 465  -1.594  -7.589   3.694
  101    HE3  TRP 465           3HE      TRP 465  -0.314  -4.054  -0.107
  102    HZ2  TRP 465           2HZ      TRP 465   0.418  -5.795   4.499
  103    HZ3  TRP 465           3HZ      TRP 465   1.349  -3.030   1.391
  104    HH2  TRP 465           HH       TRP 465   1.703  -3.886   3.651
  105    H    GLU 466           H        GLU 466  -2.374  -3.550  -1.905
  106    HA   GLU 466           HA       GLU 466  -3.539  -4.077  -4.513
  107   1HB   GLU 466          2HB       GLU 466  -4.398  -1.891  -2.836
  108   2HB   GLU 466          1HB       GLU 466  -3.644  -1.276  -4.300
  109   1HG   GLU 466          2HG       GLU 466  -5.427  -3.433  -4.935
  110   2HG   GLU 466          1HG       GLU 466  -6.259  -2.209  -3.980
  111    H    GLU 467           H        GLU 467  -2.261  -3.388  -6.218
  112    HA   GLU 467           HA       GLU 467   0.461  -2.637  -5.480
  113   1HB   GLU 467          2HB       GLU 467   1.082  -3.325  -7.715
  114   2HB   GLU 467          1HB       GLU 467   0.090  -4.575  -6.978
  115   1HG   GLU 467          2HG       GLU 467  -1.854  -3.329  -8.208
  116   2HG   GLU 467          1HG       GLU 467  -0.544  -2.724  -9.220
  117    H    ARG 468           H        ARG 468   0.633  -0.483  -5.213
  118    HA   ARG 468           HA       ARG 468  -0.583   1.290  -7.210
  119   1HB   ARG 468          2HB       ARG 468  -0.116   1.470  -4.369
  120   2HB   ARG 468          1HB       ARG 468   0.619   2.836  -5.195
  121   1HG   ARG 468          2HG       ARG 468  -2.107   2.201  -6.064
  122   2HG   ARG 468          1HG       ARG 468  -1.962   2.716  -4.382
  123   1HD   ARG 468          2HD       ARG 468  -1.966   4.807  -5.157
  124   2HD   ARG 468          1HD       ARG 468  -0.337   4.483  -5.748
  125    HE   ARG 468           HE       ARG 468  -2.288   3.615  -7.616
  126   1HH1  ARG 468          1HH1      ARG 468  -0.729   6.469  -6.372
  127   2HH1  ARG 468          2HH1      ARG 468  -0.946   7.381  -7.829
  128   1HH2  ARG 468          1HH2      ARG 468  -2.577   4.805  -9.541
  129   2HH2  ARG 468          2HH2      ARG 468  -1.998   6.434  -9.631
  130    H    THR 469           H        THR 469   0.636   2.883  -8.271
  131    HA   THR 469           HA       THR 469   3.437   2.153  -8.634
  132    HB   THR 469           HB       THR 469   3.309   3.824 -10.542
  133    HG1  THR 469           1HG      THR 469   1.522   5.027 -10.055
  134   1HG2  THR 469          1HG2      THR 469   1.294   2.051 -11.458
  135   2HG2  THR 469          2HG2      THR 469   2.312   1.163 -10.322
  136   3HG2  THR 469          3HG2      THR 469   3.036   1.955 -11.721
  137    H    HIS 470           H        HIS 470   5.046   3.246  -7.737
  138    HA   HIS 470           HA       HIS 470   4.537   5.645  -6.232
  139   1HB   HIS 470          2HB       HIS 470   6.152   3.731  -5.625
  140   2HB   HIS 470          1HB       HIS 470   7.258   4.478  -6.772
  141    HD2  HIS 470           2HD      HIS 470   8.893   6.248  -5.627
  142    HE1  HIS 470           1HE      HIS 470   6.468   7.170  -2.284
  143    HE2  HIS 470           2HE      HIS 470   8.765   7.434  -3.324
  144    H    THR 471           H        THR 471   5.766   7.624  -6.480
  145    HA   THR 471           HA       THR 471   5.628   8.714  -9.041
  146    HB   THR 471           HB       THR 471   7.465   9.773  -6.898
  147    HG1  THR 471           1HG      THR 471   5.575   9.497  -5.805
  148   1HG2  THR 471          1HG2      THR 471   7.713  11.223  -8.642
  149   2HG2  THR 471          2HG2      THR 471   6.257  11.917  -7.929
  150   3HG2  THR 471          3HG2      THR 471   6.130  10.845  -9.323
  151    H    ASP 472           H        ASP 472   8.108   6.828  -7.568
  152    HA   ASP 472           HA       ASP 472  10.159   7.689  -9.436
  153   1HB   ASP 472          2HB       ASP 472  10.123   5.691  -7.176
  154   2HB   ASP 472          1HB       ASP 472  11.503   5.868  -8.256
  155    H    GLY 473           H        GLY 473   7.658   5.386  -9.372
  156   1HA   GLY 473          2HA       GLY 473   7.173   4.229 -11.443
  157   2HA   GLY 473          1HA       GLY 473   8.901   3.993 -11.654
  158    H    ARG 474           H        ARG 474   8.941   3.372  -8.626
  159    HA   ARG 474           HA       ARG 474   8.687   0.528  -8.953
  160   1HB   ARG 474          2HB       ARG 474   9.360   2.210  -6.532
  161   2HB   ARG 474          1HB       ARG 474   9.412   0.452  -6.568
  162   1HG   ARG 474          2HG       ARG 474  11.444   0.464  -7.444
  163   2HG   ARG 474          1HG       ARG 474  10.940   1.548  -8.743
  164   1HD   ARG 474          2HD       ARG 474  11.147   3.437  -7.085
  165   2HD   ARG 474          1HD       ARG 474  11.913   2.286  -5.990
  166    HE   ARG 474           HE       ARG 474  13.382   2.034  -8.236
  167   1HH1  ARG 474          1HH1      ARG 474  12.371   4.795  -6.369
  168   2HH1  ARG 474          2HH1      ARG 474  13.767   5.739  -6.768
  169   1HH2  ARG 474          1HH2      ARG 474  15.227   3.268  -8.766
  170   2HH2  ARG 474          2HH2      ARG 474  15.391   4.870  -8.130
  171    H    VAL 475           H        VAL 475   6.880  -0.601  -8.650
  172    HA   VAL 475           HA       VAL 475   4.549   0.649  -7.531
  173    HB   VAL 475           HB       VAL 475   4.433  -0.911  -9.449
  174   1HG1  VAL 475          1HG1      VAL 475   4.839  -3.218  -9.274
  175   2HG1  VAL 475          2HG1      VAL 475   4.859  -3.180  -7.508
  176   3HG1  VAL 475          3HG1      VAL 475   6.183  -2.463  -8.421
  177   1HG2  VAL 475          1HG2      VAL 475   2.835  -1.544  -6.964
  178   2HG2  VAL 475          2HG2      VAL 475   2.440  -2.204  -8.555
  179   3HG2  VAL 475          3HG2      VAL 475   2.413  -0.464  -8.290
  180    H    PHE 476           H        PHE 476   4.306   0.845  -5.410
  181    HA   PHE 476           HA       PHE 476   5.484  -1.106  -3.600
  182   1HB   PHE 476          2HB       PHE 476   4.935   0.457  -1.829
  183   2HB   PHE 476          1HB       PHE 476   5.728   1.318  -3.144
  184    HD1  PHE 476           1HD      PHE 476   4.434   2.803  -4.610
  185    HD2  PHE 476           2HD      PHE 476   2.684   0.918  -1.223
  186    HE1  PHE 476           1HE      PHE 476   2.553   4.386  -4.707
  187    HE2  PHE 476           2HE      PHE 476   0.797   2.496  -1.313
  188    HZ   PHE 476           HZ       PHE 476   0.731   4.233  -3.057
  189    H    PHE 477           H        PHE 477   4.033  -1.543  -1.565
  190    HA   PHE 477           HA       PHE 477   1.483  -2.601  -2.581
  191   1HB   PHE 477          2HB       PHE 477   3.032  -3.472  -0.132
  192   2HB   PHE 477          1HB       PHE 477   1.608  -4.257  -0.807
  193    HD1  PHE 477           1HD      PHE 477   1.815  -5.897  -2.449
  194    HD2  PHE 477           2HD      PHE 477   5.143  -3.410  -1.531
  195    HE1  PHE 477           1HE      PHE 477   3.258  -7.321  -3.843
  196    HE2  PHE 477           2HE      PHE 477   6.593  -4.829  -2.925
  197    HZ   PHE 477           HZ       PHE 477   5.650  -6.786  -4.083
  198    H    ILE 478           H        ILE 478  -0.410  -2.436  -1.311
  199    HA   ILE 478           HA       ILE 478  -0.335  -0.729   1.047
  200    HB   ILE 478           HB       ILE 478  -0.624   0.831  -0.872
  201   1HG1  ILE 478          2HG1      ILE 478  -2.922   0.496   1.055
  202   2HG1  ILE 478          1HG1      ILE 478  -1.541   1.571   1.202
  203   1HG2  ILE 478          1HG2      ILE 478  -1.895  -0.906  -2.232
  204   2HG2  ILE 478          2HG2      ILE 478  -2.442   0.766  -2.332
  205   3HG2  ILE 478          3HG2      ILE 478  -3.316  -0.389  -1.327
  206   1HD1  ILE 478          1HD1      ILE 478  -3.310   2.979   0.638
  207   2HD1  ILE 478          2HD1      ILE 478  -3.955   1.849  -0.553
  208   3HD1  ILE 478          3HD1      ILE 478  -2.468   2.736  -0.894
  209    H    ASN 479           H        ASN 479  -1.629  -1.585   2.545
  210    HA   ASN 479           HA       ASN 479  -3.653  -3.515   1.698
  211   1HB   ASN 479          2HB       ASN 479  -3.593  -4.394   3.901
  212   2HB   ASN 479          1HB       ASN 479  -1.920  -4.070   3.466
  213   1HD2  ASN 479          1HD2      ASN 479  -2.572  -4.389   6.061
  214   2HD2  ASN 479          2HD2      ASN 479  -2.472  -2.883   6.900
  215    H    HIS 480           H        HIS 480  -5.808  -3.411   2.357
  216    HA   HIS 480           HA       HIS 480  -6.711  -0.698   2.997
  217   1HB   HIS 480          2HB       HIS 480  -7.896  -2.998   1.521
  218   2HB   HIS 480          1HB       HIS 480  -8.994  -1.888   2.333
  219    HD2  HIS 480           2HD      HIS 480  -5.784  -0.899   0.268
  220    HE1  HIS 480           1HE      HIS 480  -9.222   0.894  -1.427
  221    HE2  HIS 480           2HE      HIS 480  -6.717   0.577  -1.650
  222    H    ASN 481           H        ASN 481  -6.172  -3.585   4.595
  223    HA   ASN 481           HA       ASN 481  -8.444  -3.846   6.223
  224   1HB   ASN 481          2HB       ASN 481  -5.690  -4.421   7.272
  225   2HB   ASN 481          1HB       ASN 481  -7.188  -5.300   7.552
  226   1HD2  ASN 481          1HD2      ASN 481  -4.431  -4.930   5.567
  227   2HD2  ASN 481          2HD2      ASN 481  -4.758  -6.231   4.479
  228    H    ILE 482           H        ILE 482  -5.430  -2.041   6.727
  229    HA   ILE 482           HA       ILE 482  -6.846  -0.397   8.716
  230    HB   ILE 482           HB       ILE 482  -4.524  -0.133   9.803
  231   1HG1  ILE 482          2HG1      ILE 482  -4.129  -2.779   8.387
  232   2HG1  ILE 482          1HG1      ILE 482  -3.282  -1.285   7.997
  233   1HG2  ILE 482          1HG2      ILE 482  -5.771  -2.843  10.137
  234   2HG2  ILE 482          2HG2      ILE 482  -6.570  -1.367  10.679
  235   3HG2  ILE 482          3HG2      ILE 482  -5.007  -1.824  11.357
  236   1HD1  ILE 482          1HD1      ILE 482  -2.167  -3.091   9.504
  237   2HD1  ILE 482          2HD1      ILE 482  -3.143  -2.350  10.772
  238   3HD1  ILE 482          3HD1      ILE 482  -1.976  -1.378   9.876
  239    H    LYS 483           H        LYS 483  -6.269  -0.061   5.826
  240    HA   LYS 483           HA       LYS 483  -5.382   1.441   4.340
  241   1HB   LYS 483          2HB       LYS 483  -5.912   3.362   6.609
  242   2HB   LYS 483          1HB       LYS 483  -5.879   3.737   4.892
  243   1HG   LYS 483          2HG       LYS 483  -8.146   3.646   5.451
  244   2HG   LYS 483          1HG       LYS 483  -7.815   2.104   4.659
  245   1HD   LYS 483          2HD       LYS 483  -8.147   0.910   6.554
  246   2HD   LYS 483          1HD       LYS 483  -7.451   2.160   7.587
  247   1HE   LYS 483          2HE       LYS 483  -9.465   2.947   8.098
  248   2HE   LYS 483          1HE       LYS 483  -9.891   3.098   6.393
  249   1HZ   LYS 483          1HZ       LYS 483 -11.423   1.574   7.022
  250   2HZ   LYS 483          2HZ       LYS 483 -10.475   0.942   8.272
  251   3HZ   LYS 483          3HZ       LYS 483 -10.165   0.499   6.670
  252    H    LYS 484           H        LYS 484  -3.217   0.569   4.437
  253    HA   LYS 484           HA       LYS 484  -1.306   2.587   5.274
  254   1HB   LYS 484          2HB       LYS 484  -1.768   0.283   6.865
  255   2HB   LYS 484          1HB       LYS 484  -0.207   0.070   6.083
  256   1HG   LYS 484          2HG       LYS 484   0.647   1.311   7.711
  257   2HG   LYS 484          1HG       LYS 484  -0.160   2.692   6.965
  258   1HD   LYS 484          2HD       LYS 484  -2.184   2.132   8.336
  259   2HD   LYS 484          1HD       LYS 484  -1.200   0.936   9.182
  260   1HE   LYS 484          2HE       LYS 484  -0.962   2.734  10.581
  261   2HE   LYS 484          1HE       LYS 484   0.420   2.976   9.513
  262   1HZ   LYS 484          1HZ       LYS 484  -1.972   4.209   8.529
  263   2HZ   LYS 484          2HZ       LYS 484  -0.432   4.871   8.753
  264   3HZ   LYS 484          3HZ       LYS 484  -1.519   4.805  10.047
  265    H    THR 485           H        THR 485   0.955   1.959   4.551
  266    HA   THR 485           HA       THR 485   0.985   0.139   2.264
  267    HB   THR 485           HB       THR 485   0.504   2.104   1.072
  268    HG1  THR 485           1HG      THR 485   3.331   2.245   1.095
  269   1HG2  THR 485          1HG2      THR 485   0.716   4.110   2.015
  270   2HG2  THR 485          2HG2      THR 485   2.470   3.989   1.866
  271   3HG2  THR 485          3HG2      THR 485   1.665   3.408   3.324
  272    H    GLN 486           H        GLN 486   3.228  -0.221   1.445
  273    HA   GLN 486           HA       GLN 486   5.415   0.556   3.157
  274   1HB   GLN 486          2HB       GLN 486   5.997  -1.922   3.543
  275   2HB   GLN 486          1HB       GLN 486   4.743  -1.204   4.547
  276   1HG   GLN 486          2HG       GLN 486   3.039  -2.324   3.442
  277   2HG   GLN 486          1HG       GLN 486   4.039  -2.645   2.028
  278   1HE2  GLN 486          1HE2      GLN 486   5.502  -4.331   2.068
  279   2HE2  GLN 486          2HE2      GLN 486   5.435  -5.581   3.254
  280    H    TRP 487           H        TRP 487   7.445   0.121   2.262
  281    HA   TRP 487           HA       TRP 487   7.489  -0.097  -0.582
  282   1HB   TRP 487          2HB       TRP 487   9.445   0.430   1.570
  283   2HB   TRP 487          1HB       TRP 487  10.103  -0.313   0.116
  284    HD1  TRP 487           HD       TRP 487   9.571   2.974   1.514
  285    HE1  TRP 487           1HE      TRP 487   9.525   4.793  -0.306
  286    HE3  TRP 487           3HE      TRP 487   8.976  -0.005  -2.596
  287    HZ2  TRP 487           2HZ      TRP 487   9.268   4.945  -3.113
  288    HZ3  TRP 487           3HZ      TRP 487   8.839   1.055  -4.811
  289    HH2  TRP 487           HH       TRP 487   8.982   3.480  -5.064
  290    H    GLU 488           H        GLU 488   8.423  -2.221   2.087
  291    HA   GLU 488           HA       GLU 488   9.618  -4.246   0.553
  292   1HB   GLU 488          2HB       GLU 488   8.725  -3.896   3.299
  293   2HB   GLU 488          1HB       GLU 488   8.466  -5.540   2.729
  294   1HG   GLU 488          2HG       GLU 488  10.679  -5.988   2.573
  295   2HG   GLU 488          1HG       GLU 488  11.100  -4.327   2.161
  296    H    ASP 489           H        ASP 489   8.612  -6.580   0.679
  297    HA   ASP 489           HA       ASP 489   5.992  -6.401  -0.636
  298   1HB   ASP 489          2HB       ASP 489   8.164  -8.495  -0.812
  299   2HB   ASP 489          1HB       ASP 489   6.587  -8.645  -1.581
  300    HA   PRO 490           HA       PRO 490   4.596  -8.394   3.182
  301   1HB   PRO 490          2HB       PRO 490   1.949  -8.167   2.686
  302   2HB   PRO 490          1HB       PRO 490   2.927  -6.808   3.253
  303   1HG   PRO 490          2HG       PRO 490   2.043  -7.472   0.469
  304   2HG   PRO 490          1HG       PRO 490   2.038  -5.905   1.295
  305   1HD   PRO 490          2HD       PRO 490   3.971  -6.617  -0.460
  306   2HD   PRO 490          1HD       PRO 490   4.290  -5.566   0.934
  307    H    ARG 491           H        ARG 491   3.527  -9.142  -0.090
  308    HA   ARG 491           HA       ARG 491   2.358 -11.660   0.582
  309   1HB   ARG 491          2HB       ARG 491   2.528 -12.010  -1.957
  310   2HB   ARG 491          1HB       ARG 491   1.501 -10.708  -1.374
  311   1HG   ARG 491          2HG       ARG 491   3.024  -9.058  -2.024
  312   2HG   ARG 491          1HG       ARG 491   4.344 -10.219  -2.188
  313   1HD   ARG 491          2HD       ARG 491   1.884 -10.099  -3.929
  314   2HD   ARG 491          1HD       ARG 491   3.478  -9.485  -4.366
  315    HE   ARG 491           HE       ARG 491   3.861 -12.125  -3.706
  316   1HH1  ARG 491          1HH1      ARG 491   1.948 -10.359  -6.017
  317   2HH1  ARG 491          2HH1      ARG 491   1.970 -11.625  -7.199
  318   1HH2  ARG 491          1HH2      ARG 491   3.900 -13.800  -5.255
  319   2HH2  ARG 491          2HH2      ARG 491   3.080 -13.583  -6.765
  320    H    MET 492           H        MET 492   5.579 -10.621   0.173
  321    HA   MET 492           HA       MET 492   6.595 -13.175  -0.717
  322   1HB   MET 492          2HB       MET 492   7.546 -10.656  -0.958
  323   2HB   MET 492          1HB       MET 492   8.451 -11.188   0.453
  324   1HG   MET 492          2HG       MET 492   9.788 -11.634  -1.443
  325   2HG   MET 492          1HG       MET 492   9.172 -13.183  -0.870
  326   1HE   MET 492          1HE       MET 492  10.514 -13.201  -3.158
  327   2HE   MET 492          2HE       MET 492   9.797 -12.862  -4.733
  328   3HE   MET 492          3HE       MET 492   9.450 -14.386  -3.915
  329    H    GLN 493           H        GLN 493   6.057 -11.513   2.285
  330    HA   GLN 493           HA       GLN 493   7.675 -13.392   3.801
  331   1HB   GLN 493          2HB       GLN 493   7.680 -11.064   4.505
  332   2HB   GLN 493          1HB       GLN 493   5.931 -11.085   4.681
  333   1HG   GLN 493          2HG       GLN 493   6.234 -11.607   6.806
  334   2HG   GLN 493          1HG       GLN 493   6.823 -13.181   6.272
  335   1HE2  GLN 493          1HE2      GLN 493   9.206 -12.285   5.053
  336   2HE2  GLN 493          2HE2      GLN 493  10.280 -11.765   6.303
  337    H    ASN 494           H        ASN 494   6.168 -15.095   2.776
  338    HA   ASN 494           HA       ASN 494   3.553 -15.368   3.921
  339   1HB   ASN 494          2HB       ASN 494   5.170 -17.494   2.508
  340   2HB   ASN 494          1HB       ASN 494   3.421 -17.439   2.711
  341   1HD2  ASN 494          1HD2      ASN 494   2.262 -15.733   1.623
  342   2HD2  ASN 494          2HD2      ASN 494   2.875 -15.105   0.134
  343    H    VAL 495           H        VAL 495   6.458 -17.432   4.173
  344    HA   VAL 495           HA       VAL 495   6.138 -17.682   7.019
  345    HB   VAL 495           HB       VAL 495   4.461 -19.299   6.344
  346   1HG1  VAL 495          1HG1      VAL 495   6.467 -20.013   4.356
  347   2HG1  VAL 495          2HG1      VAL 495   4.723 -20.266   4.348
  348   3HG1  VAL 495          3HG1      VAL 495   5.776 -21.412   5.176
  349   1HG2  VAL 495          1HG2      VAL 495   6.639 -19.812   8.007
  350   2HG2  VAL 495          2HG2      VAL 495   6.412 -21.292   7.077
  351   3HG2  VAL 495          3HG2      VAL 495   5.076 -20.628   8.018
  352    H    ALA 496           H        ALA 496   8.281 -16.772   6.703
  353    HA   ALA 496           HA       ALA 496  10.304 -18.755   6.903
  354   1HB   ALA 496          1HB       ALA 496   9.887 -18.527   4.381
  355   2HB   ALA 496          2HB       ALA 496  11.550 -18.430   4.956
  356   3HB   ALA 496          3HB       ALA 496  10.678 -16.958   4.531
  357    H    ILE 497           H        ILE 497  10.257 -17.441   8.888
  358    HA   ILE 497           HA       ILE 497  12.310 -15.415   8.784
  359    HB   ILE 497           HB       ILE 497  10.818 -13.835  10.185
  360   1HG1  ILE 497          2HG1      ILE 497   8.483 -14.560   8.615
  361   2HG1  ILE 497          1HG1      ILE 497   8.962 -15.864   9.698
  362   1HG2  ILE 497          1HG2      ILE 497  10.784 -12.529   8.369
  363   2HG2  ILE 497          2HG2      ILE 497   9.810 -13.676   7.448
  364   3HG2  ILE 497          3HG2      ILE 497  11.558 -13.887   7.554
  365   1HD1  ILE 497          1HD1      ILE 497   7.320 -14.396  10.736
  366   2HD1  ILE 497          2HD1      ILE 497   8.406 -13.022  10.522
  367   3HD1  ILE 497          3HD1      ILE 497   8.860 -14.345  11.595
  368    H    THR 498           H        THR 498  12.606 -17.784   9.942
  369    HA   THR 498           HA       THR 498  11.739 -18.001  12.624
  370    HB   THR 498           HB       THR 498  13.611 -19.655  12.860
  371    HG1  THR 498           1HG      THR 498  15.172 -19.521  11.449
  372   1HG2  THR 498          1HG2      THR 498  11.838 -19.965  10.434
  373   2HG2  THR 498          2HG2      THR 498  11.409 -20.371  12.095
  374   3HG2  THR 498          3HG2      THR 498  12.673 -21.278  11.265
  375    H    GLY 499           H        GLY 499  12.239 -16.637  14.207
  376   1HA   GLY 499          2HA       GLY 499  14.412 -16.192  15.564
  377   2HA   GLY 499          1HA       GLY 499  14.834 -15.260  14.135
  378   1H    GLY 605          1HT       GLY 605   1.104 -10.044  11.474
  379   2H    GLY 605          2HT       GLY 605   1.354 -11.605  10.875
  380   3H    GLY 605          3HT       GLY 605   1.034 -10.331   9.808
  381   1HA   GLY 605          1HA       GLY 605   3.407 -10.338  11.572
  382   2HA   GLY 605          2HA       GLY 605   3.431 -11.093   9.986
  383    H    SER 606           H        SER 606   4.984  -8.831  10.957
  384    HA   SER 606           HA       SER 606   4.584  -7.092   8.711
  385   1HB   SER 606          2HB       SER 606   2.994  -6.327  10.656
  386   2HB   SER 606          1HB       SER 606   4.477  -5.671  11.349
  387    HG   SER 606           HG       SER 606   2.962  -4.658   9.401
  388    H    THR 607           H        THR 607   6.106  -7.216  11.932
  389    HA   THR 607           HA       THR 607   8.284  -7.067  12.580
  390    HB   THR 607           HB       THR 607   9.450  -7.054   9.872
  391    HG1  THR 607           1HG      THR 607   8.516  -8.833   9.180
  392   1HG2  THR 607          1HG2      THR 607  11.145  -7.857  11.073
  393   2HG2  THR 607          2HG2      THR 607  10.193  -9.293  11.453
  394   3HG2  THR 607          3HG2      THR 607  10.123  -7.883  12.511
  395    H    LEU 608           H        LEU 608   8.269  -5.429   9.405
  396    HA   LEU 608           HA       LEU 608   8.866  -3.322   8.784
  397   1HB   LEU 608          2HB       LEU 608   6.942  -2.671  10.104
  398   2HB   LEU 608          1HB       LEU 608   7.894  -2.715  11.575
  399    HG   LEU 608           HG       LEU 608   9.155  -0.918   9.753
  400   1HD1  LEU 608          1HD1      LEU 608   6.569   0.300  10.323
  401   2HD1  LEU 608          2HD1      LEU 608   6.485  -1.015   9.152
  402   3HD1  LEU 608          3HD1      LEU 608   7.554   0.356   8.862
  403   1HD2  LEU 608          1HD2      LEU 608   8.061   0.612  11.726
  404   2HD2  LEU 608          2HD2      LEU 608   9.584  -0.267  11.853
  405   3HD2  LEU 608          3HD2      LEU 608   8.099  -0.981  12.481
  406    HA   PRO 609           HA       PRO 609  12.867  -3.777  11.209
  407   1HB   PRO 609          2HB       PRO 609  14.422  -4.541   9.125
  408   2HB   PRO 609          1HB       PRO 609  13.516  -5.692  10.114
  409   1HG   PRO 609          2HG       PRO 609  12.832  -4.549   7.434
  410   2HG   PRO 609          1HG       PRO 609  12.676  -6.218   8.012
  411   1HD   PRO 609          2HD       PRO 609  10.577  -4.507   7.889
  412   2HD   PRO 609          1HD       PRO 609  10.703  -5.786   9.112
  413    H    ILE 610           H        ILE 610  12.104  -2.395   8.056
  414    HA   ILE 610           HA       ILE 610  13.838  -0.111   8.715
  415    HB   ILE 610           HB       ILE 610  13.517  -1.260   5.940
  416   1HG1  ILE 610          2HG1      ILE 610  15.907  -1.376   7.795
  417   2HG1  ILE 610          1HG1      ILE 610  14.841  -2.731   7.435
  418   1HG2  ILE 610          1HG2      ILE 610  14.845   0.431   5.156
  419   2HG2  ILE 610          2HG2      ILE 610  15.634   0.683   6.713
  420   3HG2  ILE 610          3HG2      ILE 610  13.994   1.277   6.449
  421   1HD1  ILE 610          1HD1      ILE 610  15.671  -2.992   5.316
  422   2HD1  ILE 610          2HD1      ILE 610  17.107  -2.453   6.186
  423   3HD1  ILE 610          3HD1      ILE 610  16.195  -1.313   5.197
  424    HA   PRO 611           HA       PRO 611   9.505   1.320   7.871
  425   1HB   PRO 611          2HB       PRO 611   9.614   3.337   9.711
  426   2HB   PRO 611          1HB       PRO 611   9.104   1.690  10.095
  427   1HG   PRO 611          2HG       PRO 611  11.762   2.998  10.513
  428   2HG   PRO 611          1HG       PRO 611  10.861   1.919  11.595
  429   1HD   PRO 611          2HD       PRO 611  12.929   1.048  10.099
  430   2HD   PRO 611          1HD       PRO 611  11.528   0.019  10.461
  431    H    GLY 612           H        GLY 612  12.451   3.219   8.416
  432   1HA   GLY 612          2HA       GLY 612  13.072   5.306   7.586
  433   2HA   GLY 612          1HA       GLY 612  12.887   4.417   6.086
  434    H    THR 613           H        THR 613  11.202   4.897   4.722
  435    HA   THR 613           HA       THR 613   9.175   6.806   5.601
  436    HB   THR 613           HB       THR 613   9.550   8.151   3.482
  437    HG1  THR 613           1HG      THR 613  12.127   6.939   3.594
  438   1HG2  THR 613          1HG2      THR 613  10.854   9.663   4.608
  439   2HG2  THR 613          2HG2      THR 613  11.978   8.431   5.182
  440   3HG2  THR 613          3HG2      THR 613  10.399   8.610   5.949
  441    HA   PRO 614           HA       PRO 614   7.293   3.414   3.118
  442   1HB   PRO 614          2HB       PRO 614   4.912   4.558   4.476
  443   2HB   PRO 614          1HB       PRO 614   5.422   2.873   4.325
  444   1HG   PRO 614          2HG       PRO 614   5.680   4.176   6.636
  445   2HG   PRO 614          1HG       PRO 614   6.918   3.031   6.089
  446   1HD   PRO 614          2HD       PRO 614   6.943   6.021   6.039
  447   2HD   PRO 614          1HD       PRO 614   8.262   4.888   6.396
  448    HA   PRO 615           HA       PRO 615   5.918   5.742  -0.371
  449   1HB   PRO 615          2HB       PRO 615   3.661   3.802  -0.503
  450   2HB   PRO 615          1HB       PRO 615   4.816   4.271  -1.755
  451   1HG   PRO 615          2HG       PRO 615   5.031   1.922  -0.516
  452   2HG   PRO 615          1HG       PRO 615   6.471   2.866  -0.945
  453   1HD   PRO 615          2HD       PRO 615   5.172   2.487   1.714
  454   2HD   PRO 615          1HD       PRO 615   6.893   2.655   1.310
  455    HA   PRO 616           HA       PRO 616   2.466   8.400   0.368
  456   1HB   PRO 616          2HB       PRO 616   0.783   7.177  -1.751
  457   2HB   PRO 616          1HB       PRO 616   1.299   8.855  -1.549
  458   1HG   PRO 616          2HG       PRO 616   2.394   7.305  -3.422
  459   2HG   PRO 616          1HG       PRO 616   3.372   8.474  -2.514
  460   1HD   PRO 616          2HD       PRO 616   3.180   5.506  -2.195
  461   2HD   PRO 616          1HD       PRO 616   4.600   6.566  -2.067
  462    H    ASN 617           H        ASN 617   1.422   8.057   2.226
  463    HA   ASN 617           HA       ASN 617   0.146   5.697   3.006
  464   1HB   ASN 617          2HB       ASN 617   0.774   8.099   4.215
  465   2HB   ASN 617          1HB       ASN 617  -0.987   8.114   4.209
  466   1HD2  ASN 617          1HD2      ASN 617   1.330   5.459   4.539
  467   2HD2  ASN 617          2HD2      ASN 617   0.761   4.923   6.079
  468    H    TYR 618           H        TYR 618  -2.095   5.202   3.262
  469    HA   TYR 618           HA       TYR 618  -3.654   5.676   0.990
  470   1HB   TYR 618          2HB       TYR 618  -3.961   3.734   2.489
  471   2HB   TYR 618          1HB       TYR 618  -4.601   4.806   3.730
  472    HD1  TYR 618           1HD      TYR 618  -6.893   5.156   3.852
  473    HD2  TYR 618           2HD      TYR 618  -5.210   3.783   0.195
  474    HE1  TYR 618           1HE      TYR 618  -9.153   4.900   2.915
  475    HE2  TYR 618           2HE      TYR 618  -7.464   3.523  -0.752
  476    HH   TYR 618           HH       TYR 618  -9.934   4.839  -0.008
  477    H    ASP 619           H        ASP 619  -3.515   7.322   4.085
  478    HA   ASP 619           HA       ASP 619  -5.863   8.864   3.796
  479   1HB   ASP 619          2HB       ASP 619  -4.628   8.550   5.942
  480   2HB   ASP 619          1HB       ASP 619  -3.351   9.591   5.319
  481    H    SER 620           H        SER 620  -2.669   9.137   2.487
  482    HA   SER 620           HA       SER 620  -3.134  11.866   1.563
  483   1HB   SER 620          2HB       SER 620  -0.863  10.657   2.443
  484   2HB   SER 620          1HB       SER 620  -0.685  10.457   0.700
  485    HG   SER 620           HG       SER 620  -0.299  12.649   2.171
  486    H    LEU 621           H        LEU 621  -3.240   8.604   0.437
  487    HA   LEU 621           HA       LEU 621  -2.963   9.170  -2.346
  488   1HB   LEU 621          2HB       LEU 621  -3.729   6.825  -0.694
  489   2HB   LEU 621          1HB       LEU 621  -4.267   6.831  -2.363
  490    HG   LEU 621           HG       LEU 621  -1.388   7.127  -1.503
  491   1HD1  LEU 621          1HD1      LEU 621  -1.808   4.728  -2.906
  492   2HD1  LEU 621          2HD1      LEU 621  -3.049   4.804  -1.656
  493   3HD1  LEU 621          3HD1      LEU 621  -1.347   4.930  -1.216
  494   1HD2  LEU 621          1HD2      LEU 621  -1.750   8.158  -3.628
  495   2HD2  LEU 621          2HD2      LEU 621  -2.707   6.788  -4.190
  496   3HD2  LEU 621          3HD2      LEU 621  -0.977   6.598  -3.909
  Start of MODEL    4
    1   1H    GLY 450          1HT       GLY 450   4.477 -23.923 -17.486
    2   2H    GLY 450          2HT       GLY 450   4.075 -24.247 -15.875
    3   3H    GLY 450          3HT       GLY 450   5.437 -24.972 -16.569
    4   1HA   GLY 450          1HA       GLY 450   6.701 -23.082 -16.484
    5   2HA   GLY 450          2HA       GLY 450   5.284 -22.044 -16.503
    6    H    SER 451           H        SER 451   3.836 -22.333 -14.500
    7    HA   SER 451           HA       SER 451   5.317 -21.598 -12.234
    8   1HB   SER 451          2HB       SER 451   3.236 -21.540 -11.061
    9   2HB   SER 451          1HB       SER 451   2.889 -21.047 -12.718
   10    HG   SER 451           HG       SER 451   1.432 -22.650 -11.766
   11    HA   PRO 452           HA       PRO 452   6.496 -25.459 -10.454
   12   1HB   PRO 452          2HB       PRO 452   6.569 -24.814  -7.821
   13   2HB   PRO 452          1HB       PRO 452   7.780 -24.250  -8.979
   14   1HG   PRO 452          2HG       PRO 452   5.394 -22.811  -7.882
   15   2HG   PRO 452          1HG       PRO 452   7.043 -22.212  -8.134
   16   1HD   PRO 452          2HD       PRO 452   5.017 -21.683  -9.855
   17   2HD   PRO 452          1HD       PRO 452   6.703 -21.852 -10.385
   18    H    VAL 453           H        VAL 453   5.857 -26.963  -8.568
   19    HA   VAL 453           HA       VAL 453   3.038 -27.485  -8.814
   20    HB   VAL 453           HB       VAL 453   3.475 -29.488  -7.483
   21   1HG1  VAL 453          1HG1      VAL 453   3.925 -29.548  -9.884
   22   2HG1  VAL 453          2HG1      VAL 453   5.037 -30.594  -9.002
   23   3HG1  VAL 453          3HG1      VAL 453   5.583 -29.024  -9.591
   24   1HG2  VAL 453          1HG2      VAL 453   5.080 -28.583  -5.907
   25   2HG2  VAL 453          2HG2      VAL 453   6.264 -28.375  -7.197
   26   3HG2  VAL 453          3HG2      VAL 453   5.760 -29.995  -6.717
   27    H    ASP 454           H        ASP 454   5.112 -25.971  -6.499
   28    HA   ASP 454           HA       ASP 454   2.975 -24.922  -5.002
   29   1HB   ASP 454          2HB       ASP 454   3.318 -27.505  -4.300
   30   2HB   ASP 454          1HB       ASP 454   4.470 -26.743  -3.206
   31    H    SER 455           H        SER 455   3.657 -23.147  -3.957
   32    HA   SER 455           HA       SER 455   6.228 -22.919  -2.747
   33   1HB   SER 455          2HB       SER 455   7.335 -21.458  -4.210
   34   2HB   SER 455          1HB       SER 455   6.627 -22.654  -5.294
   35    HG   SER 455           HG       SER 455   5.480 -21.130  -6.159
   36    H    ASN 456           H        ASN 456   3.795 -20.854  -4.345
   37    HA   ASN 456           HA       ASN 456   3.021 -19.722  -1.803
   38   1HB   ASN 456          2HB       ASN 456   4.955 -18.331  -2.330
   39   2HB   ASN 456          1HB       ASN 456   4.302 -17.993  -3.931
   40   1HD2  ASN 456          1HD2      ASN 456   2.824 -18.033  -0.709
   41   2HD2  ASN 456          2HD2      ASN 456   2.242 -16.407  -0.769
   42    H    ASP 457           H        ASP 457   2.841 -18.509  -5.141
   43    HA   ASP 457           HA       ASP 457   1.056 -17.906  -6.425
   44   1HB   ASP 457          2HB       ASP 457   0.291 -20.579  -5.305
   45   2HB   ASP 457          1HB       ASP 457  -0.849 -19.700  -6.320
   46    H    LEU 458           H        LEU 458   0.418 -16.006  -5.431
   47    HA   LEU 458           HA       LEU 458  -1.829 -16.245  -3.539
   48   1HB   LEU 458          2HB       LEU 458   0.162 -13.999  -3.854
   49   2HB   LEU 458          1HB       LEU 458  -1.214 -13.973  -2.768
   50    HG   LEU 458           HG       LEU 458   0.986 -16.023  -2.580
   51   1HD1  LEU 458          1HD1      LEU 458   2.217 -14.183  -2.048
   52   2HD1  LEU 458          2HD1      LEU 458   1.476 -14.497  -0.478
   53   3HD1  LEU 458          3HD1      LEU 458   0.810 -13.252  -1.534
   54   1HD2  LEU 458          1HD2      LEU 458  -1.394 -16.323  -1.571
   55   2HD2  LEU 458          2HD2      LEU 458  -0.831 -15.157  -0.373
   56   3HD2  LEU 458          3HD2      LEU 458   0.027 -16.683  -0.589
   57    H    GLY 459           H        GLY 459  -0.721 -14.908  -6.546
   58   1HA   GLY 459          2HA       GLY 459  -2.098 -14.206  -8.302
   59   2HA   GLY 459          1HA       GLY 459  -3.446 -14.113  -7.179
   60    HA   PRO 460           HA       PRO 460  -2.388  -9.744  -8.134
   61   1HB   PRO 460          2HB       PRO 460  -4.894  -8.820  -7.540
   62   2HB   PRO 460          1HB       PRO 460  -4.428  -9.435  -9.129
   63   1HG   PRO 460          2HG       PRO 460  -5.879 -10.825  -6.911
   64   2HG   PRO 460          1HG       PRO 460  -6.207 -10.854  -8.654
   65   1HD   PRO 460          2HD       PRO 460  -4.929 -12.873  -7.419
   66   2HD   PRO 460          1HD       PRO 460  -4.514 -12.377  -9.073
   67    H    LEU 461           H        LEU 461  -1.133 -10.291  -6.049
   68    HA   LEU 461           HA       LEU 461  -0.494  -9.627  -3.970
   69   1HB   LEU 461          2HB       LEU 461  -2.772  -7.671  -3.947
   70   2HB   LEU 461          1HB       LEU 461  -1.211  -7.540  -3.158
   71    HG   LEU 461           HG       LEU 461  -1.555  -7.482  -6.152
   72   1HD1  LEU 461          1HD1      LEU 461  -2.477  -5.554  -4.419
   73   2HD1  LEU 461          2HD1      LEU 461  -2.058  -5.311  -6.114
   74   3HD1  LEU 461          3HD1      LEU 461  -0.871  -4.971  -4.854
   75   1HD2  LEU 461          1HD2      LEU 461   0.661  -7.987  -5.775
   76   2HD2  LEU 461          2HD2      LEU 461   0.718  -7.093  -4.257
   77   3HD2  LEU 461          3HD2      LEU 461   0.705  -6.223  -5.792
   78    HA   PRO 462           HA       PRO 462  -2.980 -11.656  -0.956
   79   1HB   PRO 462          2HB       PRO 462  -2.532  -9.617   1.094
   80   2HB   PRO 462          1HB       PRO 462  -1.918 -11.268   1.011
   81   1HG   PRO 462          2HG       PRO 462  -0.319  -9.118   0.688
   82   2HG   PRO 462          1HG       PRO 462  -0.033 -10.652  -0.156
   83   1HD   PRO 462          2HD       PRO 462  -1.293  -8.132  -1.177
   84   2HD   PRO 462          1HD       PRO 462  -0.135  -9.217  -1.977
   85    HA   PRO 463           HA       PRO 463  -6.994  -9.899  -0.344
   86   1HB   PRO 463          2HB       PRO 463  -7.710 -10.566   2.179
   87   2HB   PRO 463          1HB       PRO 463  -7.583 -11.758   0.881
   88   1HG   PRO 463          2HG       PRO 463  -5.636 -11.113   3.058
   89   2HG   PRO 463          1HG       PRO 463  -6.120 -12.696   2.420
   90   1HD   PRO 463          2HD       PRO 463  -3.808 -11.445   1.712
   91   2HD   PRO 463          1HD       PRO 463  -4.680 -12.553   0.634
   92    H    GLY 464           H        GLY 464  -7.451  -7.797  -0.198
   93   1HA   GLY 464          2HA       GLY 464  -7.839  -5.753   0.843
   94   2HA   GLY 464          1HA       GLY 464  -7.099  -6.390   2.306
   95    H    TRP 465           H        TRP 465  -5.692  -6.348  -0.919
   96    HA   TRP 465           HA       TRP 465  -3.794  -4.261  -0.091
   97   1HB   TRP 465          2HB       TRP 465  -3.159  -7.052  -1.005
   98   2HB   TRP 465          1HB       TRP 465  -2.038  -5.737  -1.336
   99    HD1  TRP 465           HD       TRP 465  -3.425  -7.819   1.548
  100    HE1  TRP 465           1HE      TRP 465  -1.903  -7.464   3.595
  101    HE3  TRP 465           3HE      TRP 465  -0.496  -4.048  -0.269
  102    HZ2  TRP 465           2HZ      TRP 465   0.253  -5.808   4.328
  103    HZ3  TRP 465           3HZ      TRP 465   1.278  -3.133   1.174
  104    HH2  TRP 465           HH       TRP 465   1.639  -3.995   3.428
  105    H    GLU 466           H        GLU 466  -2.533  -3.414  -1.939
  106    HA   GLU 466           HA       GLU 466  -3.669  -3.846  -4.575
  107   1HB   GLU 466          2HB       GLU 466  -4.315  -1.546  -2.890
  108   2HB   GLU 466          1HB       GLU 466  -3.687  -1.095  -4.467
  109   1HG   GLU 466          2HG       GLU 466  -5.967  -1.182  -4.805
  110   2HG   GLU 466          1HG       GLU 466  -5.420  -2.750  -5.396
  111    H    GLU 467           H        GLU 467  -2.355  -3.112  -6.266
  112    HA   GLU 467           HA       GLU 467   0.400  -2.538  -5.471
  113   1HB   GLU 467          2HB       GLU 467   1.021  -3.194  -7.719
  114   2HB   GLU 467          1HB       GLU 467  -0.032  -4.419  -7.025
  115   1HG   GLU 467          2HG       GLU 467  -1.871  -2.920  -8.257
  116   2HG   GLU 467          1HG       GLU 467  -0.483  -2.591  -9.295
  117    H    ARG 468           H        ARG 468   0.662  -0.395  -5.150
  118    HA   ARG 468           HA       ARG 468  -0.470   1.475  -7.104
  119   1HB   ARG 468          2HB       ARG 468   0.198   1.609  -4.252
  120   2HB   ARG 468          1HB       ARG 468   0.691   3.028  -5.163
  121   1HG   ARG 468          2HG       ARG 468  -2.058   2.017  -5.598
  122   2HG   ARG 468          1HG       ARG 468  -1.707   2.799  -4.055
  123   1HD   ARG 468          2HD       ARG 468  -2.562   4.369  -5.759
  124   2HD   ARG 468          1HD       ARG 468  -0.951   4.789  -5.182
  125    HE   ARG 468           HE       ARG 468  -0.184   4.517  -7.310
  126   1HH1  ARG 468          1HH1      ARG 468  -3.199   2.807  -6.989
  127   2HH1  ARG 468          2HH1      ARG 468  -3.279   2.370  -8.665
  128   1HH2  ARG 468          1HH2      ARG 468  -0.279   3.950  -9.518
  129   2HH2  ARG 468          2HH2      ARG 468  -1.619   3.020 -10.101
  130    H    THR 469           H        THR 469   0.803   3.017  -8.160
  131    HA   THR 469           HA       THR 469   3.581   2.199  -8.527
  132    HB   THR 469           HB       THR 469   3.581   3.525 -10.531
  133    HG1  THR 469           1HG      THR 469   2.362   5.246 -10.584
  134   1HG2  THR 469          1HG2      THR 469   1.623   1.478 -10.030
  135   2HG2  THR 469          2HG2      THR 469   2.564   1.788 -11.489
  136   3HG2  THR 469          3HG2      THR 469   1.023   2.610 -11.241
  137    H    HIS 470           H        HIS 470   5.228   3.247  -7.642
  138    HA   HIS 470           HA       HIS 470   4.794   5.650  -6.124
  139   1HB   HIS 470          2HB       HIS 470   6.398   3.660  -5.610
  140   2HB   HIS 470          1HB       HIS 470   7.509   4.501  -6.688
  141    HD2  HIS 470           2HD      HIS 470   8.926   6.488  -5.551
  142    HE1  HIS 470           1HE      HIS 470   6.707   6.705  -1.954
  143    HE2  HIS 470           2HE      HIS 470   8.640   7.686  -3.268
  144    H    THR 471           H        THR 471   6.097   7.594  -6.371
  145    HA   THR 471           HA       THR 471   5.926   8.714  -8.917
  146    HB   THR 471           HB       THR 471   7.737   9.635  -6.678
  147    HG1  THR 471           1HG      THR 471   5.726   9.647  -5.814
  148   1HG2  THR 471          1HG2      THR 471   7.085  10.695  -9.311
  149   2HG2  THR 471          2HG2      THR 471   8.359  11.168  -8.188
  150   3HG2  THR 471          3HG2      THR 471   6.737  11.837  -8.013
  151    H    ASP 472           H        ASP 472   8.396   6.752  -7.526
  152    HA   ASP 472           HA       ASP 472  10.418   7.579  -9.438
  153   1HB   ASP 472          2HB       ASP 472  10.372   5.602  -7.170
  154   2HB   ASP 472          1HB       ASP 472  11.710   5.653  -8.315
  155    H    GLY 473           H        GLY 473   7.865   5.334  -9.329
  156   1HA   GLY 473          2HA       GLY 473   7.291   4.218 -11.401
  157   2HA   GLY 473          1HA       GLY 473   9.006   3.946 -11.667
  158    H    ARG 474           H        ARG 474   9.121   3.285  -8.651
  159    HA   ARG 474           HA       ARG 474   8.797   0.452  -9.001
  160   1HB   ARG 474          2HB       ARG 474   9.568   2.092  -6.580
  161   2HB   ARG 474          1HB       ARG 474   9.595   0.336  -6.642
  162   1HG   ARG 474          2HG       ARG 474  11.519   0.276  -7.793
  163   2HG   ARG 474          1HG       ARG 474  11.089   1.669  -8.787
  164   1HD   ARG 474          2HD       ARG 474  11.823   3.193  -7.171
  165   2HD   ARG 474          1HD       ARG 474  11.804   1.981  -5.891
  166    HE   ARG 474           HE       ARG 474  13.668   1.355  -7.966
  167   1HH1  ARG 474          1HH1      ARG 474  13.182   3.252  -5.089
  168   2HH1  ARG 474          2HH1      ARG 474  14.870   3.353  -4.712
  169   1HH2  ARG 474          1HH2      ARG 474  15.896   1.481  -7.482
  170   2HH2  ARG 474          2HH2      ARG 474  16.413   2.346  -6.073
  171    H    VAL 475           H        VAL 475   6.928  -0.584  -8.747
  172    HA   VAL 475           HA       VAL 475   4.688   0.688  -7.468
  173    HB   VAL 475           HB       VAL 475   4.426  -0.735  -9.471
  174   1HG1  VAL 475          1HG1      VAL 475   4.877  -3.142  -7.708
  175   2HG1  VAL 475          2HG1      VAL 475   6.167  -2.408  -8.654
  176   3HG1  VAL 475          3HG1      VAL 475   4.753  -3.066  -9.470
  177   1HG2  VAL 475          1HG2      VAL 475   2.456  -0.338  -8.249
  178   2HG2  VAL 475          2HG2      VAL 475   2.920  -1.435  -6.953
  179   3HG2  VAL 475          3HG2      VAL 475   2.451  -2.077  -8.530
  180    H    PHE 476           H        PHE 476   4.531   0.761  -5.331
  181    HA   PHE 476           HA       PHE 476   5.662  -1.369  -3.697
  182   1HB   PHE 476          2HB       PHE 476   5.226   0.113  -1.802
  183   2HB   PHE 476          1HB       PHE 476   6.106   0.965  -3.066
  184    HD1  PHE 476           1HD      PHE 476   2.946   0.664  -1.282
  185    HD2  PHE 476           2HD      PHE 476   5.054   2.733  -4.341
  186    HE1  PHE 476           1HE      PHE 476   1.214   2.413  -1.283
  187    HE2  PHE 476           2HE      PHE 476   3.329   4.488  -4.349
  188    HZ   PHE 476           HZ       PHE 476   1.406   4.330  -2.818
  189    H    PHE 477           H        PHE 477   4.190  -1.716  -1.582
  190    HA   PHE 477           HA       PHE 477   1.584  -2.607  -2.617
  191   1HB   PHE 477          2HB       PHE 477   3.199  -3.701  -0.307
  192   2HB   PHE 477          1HB       PHE 477   1.639  -4.316  -0.844
  193    HD1  PHE 477           1HD      PHE 477   5.053  -3.614  -2.164
  194    HD2  PHE 477           2HD      PHE 477   1.596  -6.092  -2.304
  195    HE1  PHE 477           1HE      PHE 477   6.196  -5.114  -3.744
  196    HE2  PHE 477           2HE      PHE 477   2.733  -7.596  -3.885
  197    HZ   PHE 477           HZ       PHE 477   5.037  -7.107  -4.607
  198    H    ILE 478           H        ILE 478  -0.272  -2.423  -1.312
  199    HA   ILE 478           HA       ILE 478  -0.096  -0.806   1.110
  200    HB   ILE 478           HB       ILE 478  -0.403   0.806  -0.760
  201   1HG1  ILE 478          2HG1      ILE 478  -2.687   0.462   1.182
  202   2HG1  ILE 478          1HG1      ILE 478  -1.280   1.503   1.351
  203   1HG2  ILE 478          1HG2      ILE 478  -2.996  -0.633  -1.213
  204   2HG2  ILE 478          2HG2      ILE 478  -1.597  -0.663  -2.286
  205   3HG2  ILE 478          3HG2      ILE 478  -2.476   0.844  -2.024
  206   1HD1  ILE 478          1HD1      ILE 478  -2.375   3.191   0.416
  207   2HD1  ILE 478          2HD1      ILE 478  -3.817   2.177   0.355
  208   3HD1  ILE 478          3HD1      ILE 478  -2.716   2.226  -1.022
  209    H    ASN 479           H        ASN 479  -1.559  -1.448   2.607
  210    HA   ASN 479           HA       ASN 479  -3.475  -3.497   1.792
  211   1HB   ASN 479          2HB       ASN 479  -3.551  -4.183   4.067
  212   2HB   ASN 479          1HB       ASN 479  -1.860  -3.874   3.699
  213   1HD2  ASN 479          1HD2      ASN 479  -2.719  -3.973   6.278
  214   2HD2  ASN 479          2HD2      ASN 479  -2.659  -2.397   6.982
  215    H    HIS 480           H        HIS 480  -5.654  -3.479   2.785
  216    HA   HIS 480           HA       HIS 480  -6.647  -0.725   3.117
  217   1HB   HIS 480          2HB       HIS 480  -7.525  -2.884   1.325
  218   2HB   HIS 480          1HB       HIS 480  -8.829  -2.088   2.200
  219    HD2  HIS 480           2HD      HIS 480  -5.712  -0.690   0.195
  220    HE1  HIS 480           1HE      HIS 480  -9.210   1.481  -0.787
  221    HE2  HIS 480           2HE      HIS 480  -6.694   1.348  -1.074
  222    H    ASN 481           H        ASN 481  -5.884  -2.945   5.070
  223    HA   ASN 481           HA       ASN 481  -8.447  -3.483   6.350
  224   1HB   ASN 481          2HB       ASN 481  -5.792  -4.238   7.531
  225   2HB   ASN 481          1HB       ASN 481  -7.345  -5.055   7.677
  226   1HD2  ASN 481          1HD2      ASN 481  -4.536  -4.564   5.717
  227   2HD2  ASN 481          2HD2      ASN 481  -4.821  -5.861   4.613
  228    H    ILE 482           H        ILE 482  -5.404  -1.810   7.028
  229    HA   ILE 482           HA       ILE 482  -6.826  -0.175   9.018
  230    HB   ILE 482           HB       ILE 482  -4.518  -0.052  10.191
  231   1HG1  ILE 482          2HG1      ILE 482  -4.261  -2.687   8.724
  232   2HG1  ILE 482          1HG1      ILE 482  -3.278  -1.254   8.437
  233   1HG2  ILE 482          1HG2      ILE 482  -6.794  -1.664  10.535
  234   2HG2  ILE 482          2HG2      ILE 482  -5.610  -1.189  11.752
  235   3HG2  ILE 482          3HG2      ILE 482  -5.399  -2.694  10.857
  236   1HD1  ILE 482          1HD1      ILE 482  -1.998  -2.738   9.760
  237   2HD1  ILE 482          2HD1      ILE 482  -3.331  -2.986  10.888
  238   3HD1  ILE 482          3HD1      ILE 482  -2.516  -1.424  10.817
  239    H    LYS 483           H        LYS 483  -6.154   0.234   6.186
  240    HA   LYS 483           HA       LYS 483  -5.178   1.740   4.772
  241   1HB   LYS 483          2HB       LYS 483  -5.667   3.520   7.164
  242   2HB   LYS 483          1HB       LYS 483  -5.394   4.077   5.519
  243   1HG   LYS 483          2HG       LYS 483  -7.734   4.157   5.944
  244   2HG   LYS 483          1HG       LYS 483  -7.432   2.823   4.828
  245   1HD   LYS 483          2HD       LYS 483  -7.851   1.210   6.439
  246   2HD   LYS 483          1HD       LYS 483  -7.524   2.316   7.775
  247   1HE   LYS 483          2HE       LYS 483  -9.953   1.673   7.376
  248   2HE   LYS 483          1HE       LYS 483  -9.597   3.391   7.535
  249   1HZ   LYS 483          1HZ       LYS 483 -10.020   1.916   4.993
  250   2HZ   LYS 483          2HZ       LYS 483  -9.599   3.552   5.104
  251   3HZ   LYS 483          3HZ       LYS 483 -11.089   3.019   5.702
  252    H    LYS 484           H        LYS 484  -3.097   0.727   4.783
  253    HA   LYS 484           HA       LYS 484  -1.025   2.527   5.720
  254   1HB   LYS 484          2HB       LYS 484  -1.656   0.318   7.277
  255   2HB   LYS 484          1HB       LYS 484  -0.274  -0.221   6.331
  256   1HG   LYS 484          2HG       LYS 484   1.035   1.660   7.116
  257   2HG   LYS 484          1HG       LYS 484  -0.356   2.280   8.008
  258   1HD   LYS 484          2HD       LYS 484   0.537   1.146   9.733
  259   2HD   LYS 484          1HD       LYS 484  -0.204  -0.258   8.963
  260   1HE   LYS 484          2HE       LYS 484   1.844  -1.141   8.916
  261   2HE   LYS 484          1HE       LYS 484   2.194   0.012   7.630
  262   1HZ   LYS 484          1HZ       LYS 484   2.654   1.544   9.721
  263   2HZ   LYS 484          2HZ       LYS 484   3.849   0.554   9.050
  264   3HZ   LYS 484          3HZ       LYS 484   3.009   0.048  10.428
  265    H    THR 485           H        THR 485   1.155   1.820   4.898
  266    HA   THR 485           HA       THR 485   1.045   0.111   2.533
  267    HB   THR 485           HB       THR 485   0.626   2.104   1.401
  268    HG1  THR 485           1HG      THR 485   2.492   1.121   0.541
  269   1HG2  THR 485          1HG2      THR 485   2.041   4.194   1.937
  270   2HG2  THR 485          2HG2      THR 485   2.399   3.380   3.460
  271   3HG2  THR 485          3HG2      THR 485   0.730   3.768   3.037
  272    H    GLN 486           H        GLN 486   3.247  -0.296   1.633
  273    HA   GLN 486           HA       GLN 486   5.510   0.332   3.305
  274   1HB   GLN 486          2HB       GLN 486   6.009  -2.184   3.575
  275   2HB   GLN 486          1HB       GLN 486   4.830  -1.449   4.655
  276   1HG   GLN 486          2HG       GLN 486   3.042  -2.480   3.619
  277   2HG   GLN 486          1HG       GLN 486   3.933  -2.746   2.122
  278   1HE2  GLN 486          1HE2      GLN 486   5.529  -4.393   2.078
  279   2HE2  GLN 486          2HE2      GLN 486   5.425  -5.740   3.151
  280    H    TRP 487           H        TRP 487   7.469  -0.036   2.301
  281    HA   TRP 487           HA       TRP 487   7.417  -0.210  -0.543
  282   1HB   TRP 487          2HB       TRP 487   9.413   0.319   1.553
  283   2HB   TRP 487          1HB       TRP 487  10.060  -0.476   0.122
  284    HD1  TRP 487           HD       TRP 487   9.893   2.814   1.373
  285    HE1  TRP 487           1HE      TRP 487   9.756   4.596  -0.479
  286    HE3  TRP 487           3HE      TRP 487   8.496  -0.177  -2.531
  287    HZ2  TRP 487           2HZ      TRP 487   9.137   4.719  -3.230
  288    HZ3  TRP 487           3HZ      TRP 487   8.152   0.851  -4.740
  289    HH2  TRP 487           HH       TRP 487   8.466   3.248  -5.081
  290    H    GLU 488           H        GLU 488   8.327  -2.398   2.059
  291    HA   GLU 488           HA       GLU 488   9.552  -4.391   0.513
  292   1HB   GLU 488          2HB       GLU 488   9.068  -3.995   3.191
  293   2HB   GLU 488          1HB       GLU 488   8.052  -5.382   2.824
  294   1HG   GLU 488          2HG       GLU 488   9.796  -6.751   2.684
  295   2HG   GLU 488          1HG       GLU 488  10.705  -5.623   1.677
  296    H    ASP 489           H        ASP 489   8.628  -6.680   0.388
  297    HA   ASP 489           HA       ASP 489   6.021  -6.506  -0.938
  298   1HB   ASP 489          2HB       ASP 489   8.102  -8.699  -1.054
  299   2HB   ASP 489          1HB       ASP 489   6.634  -8.612  -2.023
  300    HA   PRO 490           HA       PRO 490   4.577  -8.530   2.871
  301   1HB   PRO 490          2HB       PRO 490   1.926  -8.248   2.289
  302   2HB   PRO 490          1HB       PRO 490   2.904  -6.972   3.024
  303   1HG   PRO 490          2HG       PRO 490   2.099  -7.334   0.167
  304   2HG   PRO 490          1HG       PRO 490   2.144  -5.853   1.137
  305   1HD   PRO 490          2HD       PRO 490   4.084  -6.477  -0.636
  306   2HD   PRO 490          1HD       PRO 490   4.423  -5.597   0.867
  307    H    ARG 491           H        ARG 491   3.388  -9.119  -0.414
  308    HA   ARG 491           HA       ARG 491   2.296 -11.686   0.200
  309   1HB   ARG 491          2HB       ARG 491   2.227 -11.910  -2.329
  310   2HB   ARG 491          1HB       ARG 491   1.315 -10.577  -1.636
  311   1HG   ARG 491          2HG       ARG 491   2.782  -8.983  -2.435
  312   2HG   ARG 491          1HG       ARG 491   4.111 -10.134  -2.585
  313   1HD   ARG 491          2HD       ARG 491   1.639 -10.007  -4.311
  314   2HD   ARG 491          1HD       ARG 491   3.268  -9.520  -4.780
  315    HE   ARG 491           HE       ARG 491   3.611 -12.095  -4.087
  316   1HH1  ARG 491          1HH1      ARG 491   1.313 -10.510  -6.167
  317   2HH1  ARG 491          2HH1      ARG 491   1.123 -11.876  -7.216
  318   1HH2  ARG 491          1HH2      ARG 491   3.370 -13.901  -5.462
  319   2HH2  ARG 491          2HH2      ARG 491   2.293 -13.804  -6.814
  320    H    MET 492           H        MET 492   5.471 -10.583  -0.312
  321    HA   MET 492           HA       MET 492   6.470 -13.048  -1.444
  322   1HB   MET 492          2HB       MET 492   7.391 -10.576  -1.671
  323   2HB   MET 492          1HB       MET 492   8.271 -11.012  -0.213
  324   1HG   MET 492          2HG       MET 492   9.700 -11.454  -2.037
  325   2HG   MET 492          1HG       MET 492   9.135 -13.014  -1.442
  326   1HE   MET 492          1HE       MET 492   9.374 -12.064  -5.637
  327   2HE   MET 492          2HE       MET 492  10.474 -12.687  -4.407
  328   3HE   MET 492          3HE       MET 492   9.931 -11.011  -4.336
  329    H    GLN 493           H        GLN 493   6.294 -11.500   1.702
  330    HA   GLN 493           HA       GLN 493   8.077 -13.082   3.130
  331   1HB   GLN 493          2HB       GLN 493   6.228 -11.090   3.733
  332   2HB   GLN 493          1HB       GLN 493   5.684 -12.478   4.664
  333   1HG   GLN 493          2HG       GLN 493   7.121 -11.309   6.085
  334   2HG   GLN 493          1HG       GLN 493   8.068 -12.676   5.497
  335   1HE2  GLN 493          1HE2      GLN 493   9.923 -12.303   4.442
  336   2HE2  GLN 493          2HE2      GLN 493  10.531 -10.737   4.040
  337    H    ASN 494           H        ASN 494   8.126 -15.176   3.558
  338    HA   ASN 494           HA       ASN 494   5.781 -16.658   4.261
  339   1HB   ASN 494          2HB       ASN 494   7.015 -16.986   1.549
  340   2HB   ASN 494          1HB       ASN 494   6.321 -18.385   2.363
  341   1HD2  ASN 494          1HD2      ASN 494   5.705 -15.509   0.634
  342   2HD2  ASN 494          2HD2      ASN 494   3.980 -15.612   0.623
  343    H    VAL 495           H        VAL 495   8.700 -17.805   2.618
  344    HA   VAL 495           HA       VAL 495  10.511 -18.982   3.353
  345    HB   VAL 495           HB       VAL 495   9.687 -18.366   6.185
  346   1HG1  VAL 495          1HG1      VAL 495  12.504 -18.484   5.255
  347   2HG1  VAL 495          2HG1      VAL 495  11.616 -20.001   5.389
  348   3HG1  VAL 495          3HG1      VAL 495  11.799 -18.960   6.801
  349   1HG2  VAL 495          1HG2      VAL 495  11.461 -16.643   4.467
  350   2HG2  VAL 495          2HG2      VAL 495  10.869 -16.307   6.094
  351   3HG2  VAL 495          3HG2      VAL 495   9.749 -16.312   4.731
  352    H    ALA 496           H        ALA 496   8.160 -20.328   2.762
  353    HA   ALA 496           HA       ALA 496   6.912 -22.220   3.168
  354   1HB   ALA 496          1HB       ALA 496   8.222 -24.121   3.053
  355   2HB   ALA 496          2HB       ALA 496   9.469 -23.452   4.107
  356   3HB   ALA 496          3HB       ALA 496   9.312 -22.874   2.449
  357    H    ILE 497           H        ILE 497   7.377 -24.366   4.949
  358    HA   ILE 497           HA       ILE 497   6.742 -25.079   7.017
  359    HB   ILE 497           HB       ILE 497   7.936 -22.549   8.125
  360   1HG1  ILE 497          2HG1      ILE 497   9.492 -23.514   6.464
  361   2HG1  ILE 497          1HG1      ILE 497  10.117 -23.639   8.107
  362   1HG2  ILE 497          1HG2      ILE 497   7.204 -23.617   9.971
  363   2HG2  ILE 497          2HG2      ILE 497   8.689 -24.547   9.767
  364   3HG2  ILE 497          3HG2      ILE 497   7.157 -25.189   9.172
  365   1HD1  ILE 497          1HD1      ILE 497  10.535 -25.673   6.839
  366   2HD1  ILE 497          2HD1      ILE 497   8.806 -25.852   6.537
  367   3HD1  ILE 497          3HD1      ILE 497   9.432 -25.987   8.180
  368    H    THR 498           H        THR 498   4.833 -23.580   5.540
  369    HA   THR 498           HA       THR 498   3.524 -21.748   7.340
  370    HB   THR 498           HB       THR 498   3.382 -21.416   4.906
  371    HG1  THR 498           1HG      THR 498   1.263 -20.816   4.970
  372   1HG2  THR 498          1HG2      THR 498   1.347 -23.399   4.370
  373   2HG2  THR 498          2HG2      THR 498   2.868 -24.158   4.838
  374   3HG2  THR 498          3HG2      THR 498   2.823 -23.039   3.476
  375    H    GLY 499           H        GLY 499   1.874 -22.150   8.703
  376   1HA   GLY 499          2HA       GLY 499   0.513 -24.750   8.542
  377   2HA   GLY 499          1HA       GLY 499   1.295 -24.297  10.049
  378   1H    GLY 605          1HT       GLY 605  21.572  -6.596  -7.136
  379   2H    GLY 605          2HT       GLY 605  23.150  -6.841  -6.579
  380   3H    GLY 605          3HT       GLY 605  22.581  -5.270  -6.843
  381   1HA   GLY 605          1HA       GLY 605  20.826  -6.555  -5.070
  382   2HA   GLY 605          2HA       GLY 605  22.471  -6.772  -4.491
  383    H    SER 606           H        SER 606  19.848  -4.843  -4.252
  384    HA   SER 606           HA       SER 606  21.358  -2.354  -3.932
  385   1HB   SER 606          2HB       SER 606  18.390  -2.924  -4.001
  386   2HB   SER 606          1HB       SER 606  19.068  -1.335  -3.646
  387    HG   SER 606           HG       SER 606  18.621  -1.448  -5.833
  388    H    THR 607           H        THR 607  19.520  -4.733  -2.136
  389    HA   THR 607           HA       THR 607  19.543  -5.232   0.098
  390    HB   THR 607           HB       THR 607  21.183  -2.779   0.682
  391    HG1  THR 607           1HG      THR 607  22.085  -5.292  -0.319
  392   1HG2  THR 607          1HG2      THR 607  22.158  -4.546   2.331
  393   2HG2  THR 607          2HG2      THR 607  20.660  -5.415   1.998
  394   3HG2  THR 607          3HG2      THR 607  20.603  -3.791   2.684
  395    H    LEU 608           H        LEU 608  19.710  -1.667   0.061
  396    HA   LEU 608           HA       LEU 608  18.326  -0.080   0.926
  397   1HB   LEU 608          2HB       LEU 608  16.920  -0.985  -0.937
  398   2HB   LEU 608          1HB       LEU 608  16.142  -2.042   0.226
  399    HG   LEU 608           HG       LEU 608  15.847   0.447   1.377
  400   1HD1  LEU 608          1HD1      LEU 608  15.607   0.679  -1.615
  401   2HD1  LEU 608          2HD1      LEU 608  16.597   1.654  -0.529
  402   3HD1  LEU 608          3HD1      LEU 608  14.840   1.794  -0.482
  403   1HD2  LEU 608          1HD2      LEU 608  14.085  -1.331  -0.259
  404   2HD2  LEU 608          2HD2      LEU 608  13.479   0.212   0.344
  405   3HD2  LEU 608          3HD2      LEU 608  14.056  -1.012   1.476
  406    HA   PRO 609           HA       PRO 609  17.788  -2.557   4.873
  407   1HB   PRO 609          2HB       PRO 609  19.768  -1.420   6.306
  408   2HB   PRO 609          1HB       PRO 609  20.056  -2.784   5.220
  409   1HG   PRO 609          2HG       PRO 609  20.537   0.136   4.763
  410   2HG   PRO 609          1HG       PRO 609  21.573  -1.246   4.356
  411   1HD   PRO 609          2HD       PRO 609  19.973   0.007   2.540
  412   2HD   PRO 609          1HD       PRO 609  20.406  -1.710   2.432
  413    H    ILE 610           H        ILE 610  18.417   0.875   4.301
  414    HA   ILE 610           HA       ILE 610  16.372   1.506   6.323
  415    HB   ILE 610           HB       ILE 610  18.869   3.131   5.830
  416   1HG1  ILE 610          2HG1      ILE 610  18.145   1.489   8.265
  417   2HG1  ILE 610          1HG1      ILE 610  19.246   0.941   7.004
  418   1HG2  ILE 610          1HG2      ILE 610  16.853   4.416   6.487
  419   2HG2  ILE 610          2HG2      ILE 610  18.151   4.489   7.679
  420   3HG2  ILE 610          3HG2      ILE 610  16.756   3.445   7.957
  421   1HD1  ILE 610          1HD1      ILE 610  19.662   2.876   9.173
  422   2HD1  ILE 610          2HD1      ILE 610  20.365   3.308   7.614
  423   3HD1  ILE 610          3HD1      ILE 610  20.799   1.782   8.385
  424    HA   PRO 611           HA       PRO 611  15.072   3.275   2.247
  425   1HB   PRO 611          2HB       PRO 611  12.439   3.003   3.568
  426   2HB   PRO 611          1HB       PRO 611  12.956   2.463   1.968
  427   1HG   PRO 611          2HG       PRO 611  12.555   0.718   3.951
  428   2HG   PRO 611          1HG       PRO 611  13.868   0.497   2.779
  429   1HD   PRO 611          2HD       PRO 611  13.987   1.525   5.591
  430   2HD   PRO 611          1HD       PRO 611  15.100   0.429   4.743
  431    H    GLY 612           H        GLY 612  13.250   4.008   5.233
  432   1HA   GLY 612          2HA       GLY 612  13.915   6.326   6.136
  433   2HA   GLY 612          1HA       GLY 612  13.429   6.863   4.534
  434    H    THR 613           H        THR 613  11.200   6.600   3.912
  435    HA   THR 613           HA       THR 613   9.340   6.168   6.138
  436    HB   THR 613           HB       THR 613   7.985   8.138   5.145
  437    HG1  THR 613           1HG      THR 613   9.394   8.439   3.322
  438   1HG2  THR 613          1HG2      THR 613   8.650   9.320   6.938
  439   2HG2  THR 613          2HG2      THR 613  10.337   9.334   6.421
  440   3HG2  THR 613          3HG2      THR 613   9.689   7.935   7.277
  441    HA   PRO 614           HA       PRO 614   7.147   3.603   3.284
  442   1HB   PRO 614          2HB       PRO 614   4.716   4.729   4.585
  443   2HB   PRO 614          1HB       PRO 614   5.186   3.044   4.346
  444   1HG   PRO 614          2HG       PRO 614   5.385   4.175   6.745
  445   2HG   PRO 614          1HG       PRO 614   6.626   3.048   6.165
  446   1HD   PRO 614          2HD       PRO 614   6.706   6.029   6.348
  447   2HD   PRO 614          1HD       PRO 614   7.997   4.844   6.635
  448    HA   PRO 615           HA       PRO 615   5.956   6.096  -0.159
  449   1HB   PRO 615          2HB       PRO 615   3.768   4.126  -0.586
  450   2HB   PRO 615          1HB       PRO 615   5.030   4.667  -1.699
  451   1HG   PRO 615          2HG       PRO 615   5.160   2.264  -0.559
  452   2HG   PRO 615          1HG       PRO 615   6.620   3.240  -0.798
  453   1HD   PRO 615          2HD       PRO 615   5.055   2.747   1.699
  454   2HD   PRO 615          1HD       PRO 615   6.810   2.899   1.478
  455    HA   PRO 616           HA       PRO 616   2.380   8.634   0.405
  456   1HB   PRO 616          2HB       PRO 616   0.853   7.355  -1.803
  457   2HB   PRO 616          1HB       PRO 616   1.259   9.057  -1.551
  458   1HG   PRO 616          2HG       PRO 616   2.530   7.604  -3.391
  459   2HG   PRO 616          1HG       PRO 616   3.391   8.815  -2.423
  460   1HD   PRO 616          2HD       PRO 616   3.389   5.840  -2.175
  461   2HD   PRO 616          1HD       PRO 616   4.715   6.993  -1.925
  462    H    ASN 617           H        ASN 617   1.125   8.344   2.128
  463    HA   ASN 617           HA       ASN 617   0.007   5.912   2.932
  464   1HB   ASN 617          2HB       ASN 617   0.117   8.594   3.918
  465   2HB   ASN 617          1HB       ASN 617  -1.544   8.019   4.044
  466   1HD2  ASN 617          1HD2      ASN 617  -1.726   5.749   4.951
  467   2HD2  ASN 617          2HD2      ASN 617  -0.733   5.390   6.318
  468    H    TYR 618           H        TYR 618  -2.171   5.199   3.018
  469    HA   TYR 618           HA       TYR 618  -3.592   5.487   0.609
  470   1HB   TYR 618          2HB       TYR 618  -3.794   3.467   1.930
  471   2HB   TYR 618          1HB       TYR 618  -4.468   4.373   3.281
  472    HD1  TYR 618           1HD      TYR 618  -5.178   3.941  -0.370
  473    HD2  TYR 618           2HD      TYR 618  -6.739   4.158   3.581
  474    HE1  TYR 618           1HE      TYR 618  -7.442   3.559  -1.250
  475    HE2  TYR 618           2HE      TYR 618  -9.008   3.774   2.712
  476    HH   TYR 618           HH       TYR 618 -10.174   4.202   0.360
  477    H    ASP 619           H        ASP 619  -3.924   7.042   3.744
  478    HA   ASP 619           HA       ASP 619  -6.432   8.252   3.295
  479   1HB   ASP 619          2HB       ASP 619  -5.177   8.022   5.508
  480   2HB   ASP 619          1HB       ASP 619  -4.240   9.425   5.002
  481    H    SER 620           H        SER 620  -3.241   9.000   2.198
  482    HA   SER 620           HA       SER 620  -4.057  11.662   1.297
  483   1HB   SER 620          2HB       SER 620  -1.585  10.526   2.167
  484   2HB   SER 620          1HB       SER 620  -1.390  11.061   0.498
  485    HG   SER 620           HG       SER 620  -1.574  12.533   2.755
  486    H    LEU 621           H        LEU 621  -3.487   8.457   0.142
  487    HA   LEU 621           HA       LEU 621  -3.054   9.123  -2.598
  488   1HB   LEU 621          2HB       LEU 621  -3.607   6.637  -1.055
  489   2HB   LEU 621          1HB       LEU 621  -3.889   6.608  -2.786
  490    HG   LEU 621           HG       LEU 621  -1.261   7.350  -1.500
  491   1HD1  LEU 621          1HD1      LEU 621  -0.579   5.206  -1.614
  492   2HD1  LEU 621          2HD1      LEU 621  -1.527   4.868  -3.062
  493   3HD1  LEU 621          3HD1      LEU 621  -2.305   4.870  -1.479
  494   1HD2  LEU 621          1HD2      LEU 621  -2.123   6.944  -4.355
  495   2HD2  LEU 621          2HD2      LEU 621  -0.436   6.947  -3.845
  496   3HD2  LEU 621          3HD2      LEU 621  -1.425   8.390  -3.626
  Start of MODEL    5
    1   1H    GLY 450          1HT       GLY 450  15.281 -17.572 -12.057
    2   2H    GLY 450          2HT       GLY 450  15.289 -16.354 -13.231
    3   3H    GLY 450          3HT       GLY 450  16.573 -17.452 -13.145
    4   1HA   GLY 450          1HA       GLY 450  15.137 -18.013 -14.991
    5   2HA   GLY 450          2HA       GLY 450  15.110 -19.270 -13.763
    6    H    SER 451           H        SER 451  13.356 -18.779 -11.997
    7    HA   SER 451           HA       SER 451  11.062 -17.342 -12.504
    8   1HB   SER 451          2HB       SER 451  10.285 -18.377 -14.372
    9   2HB   SER 451          1HB       SER 451  11.236 -19.832 -14.088
   10    HG   SER 451           HG       SER 451   8.749 -19.114 -12.939
   11    HA   PRO 452           HA       PRO 452  10.054 -21.207  -9.552
   12   1HB   PRO 452          2HB       PRO 452  12.921 -21.943  -9.165
   13   2HB   PRO 452          1HB       PRO 452  11.485 -22.973  -9.163
   14   1HG   PRO 452          2HG       PRO 452  13.116 -22.928 -11.265
   15   2HG   PRO 452          1HG       PRO 452  11.358 -23.031 -11.477
   16   1HD   PRO 452          2HD       PRO 452  13.184 -20.712 -11.884
   17   2HD   PRO 452          1HD       PRO 452  11.704 -21.154 -12.756
   18    H    VAL 453           H        VAL 453   9.778 -20.643  -7.464
   19    HA   VAL 453           HA       VAL 453   9.847 -19.282  -5.631
   20    HB   VAL 453           HB       VAL 453  11.865 -19.432  -4.318
   21   1HG1  VAL 453          1HG1      VAL 453  10.795 -21.444  -4.112
   22   2HG1  VAL 453          2HG1      VAL 453  12.355 -21.980  -4.738
   23   3HG1  VAL 453          3HG1      VAL 453  10.971 -21.838  -5.822
   24   1HG2  VAL 453          1HG2      VAL 453  13.969 -20.176  -5.154
   25   2HG2  VAL 453          2HG2      VAL 453  13.414 -18.883  -6.218
   26   3HG2  VAL 453          3HG2      VAL 453  13.274 -20.566  -6.728
   27    H    ASP 454           H        ASP 454  11.560 -17.528  -4.538
   28    HA   ASP 454           HA       ASP 454  12.177 -15.341  -4.606
   29   1HB   ASP 454          2HB       ASP 454  13.957 -16.494  -6.072
   30   2HB   ASP 454          1HB       ASP 454  13.095 -15.789  -7.436
   31    H    SER 455           H        SER 455   9.493 -16.083  -5.546
   32    HA   SER 455           HA       SER 455   8.713 -13.529  -6.537
   33   1HB   SER 455          2HB       SER 455   9.536 -14.680  -8.630
   34   2HB   SER 455          1HB       SER 455   8.222 -15.839  -8.422
   35    HG   SER 455           HG       SER 455   7.481 -14.241  -9.768
   36    H    ASN 456           H        ASN 456   7.767 -16.928  -6.187
   37    HA   ASN 456           HA       ASN 456   5.946 -17.902  -5.229
   38   1HB   ASN 456          2HB       ASN 456   6.195 -15.341  -3.862
   39   2HB   ASN 456          1HB       ASN 456   4.525 -15.897  -3.929
   40   1HD2  ASN 456          1HD2      ASN 456   4.375 -18.364  -3.464
   41   2HD2  ASN 456          2HD2      ASN 456   5.224 -18.886  -2.053
   42    H    ASP 457           H        ASP 457   3.855 -18.359  -5.826
   43    HA   ASP 457           HA       ASP 457   2.698 -16.551  -7.839
   44   1HB   ASP 457          2HB       ASP 457   2.392 -19.539  -7.479
   45   2HB   ASP 457          1HB       ASP 457   1.500 -18.588  -8.662
   46    H    LEU 458           H        LEU 458   1.803 -15.335  -5.988
   47    HA   LEU 458           HA       LEU 458  -0.423 -16.643  -4.620
   48   1HB   LEU 458          2HB       LEU 458   1.342 -14.410  -4.057
   49   2HB   LEU 458          1HB       LEU 458  -0.340 -13.972  -3.830
   50    HG   LEU 458           HG       LEU 458   1.026 -16.318  -2.508
   51   1HD1  LEU 458          1HD1      LEU 458   0.406 -13.539  -1.556
   52   2HD1  LEU 458          2HD1      LEU 458   1.950 -14.389  -1.534
   53   3HD1  LEU 458          3HD1      LEU 458   0.655 -14.886  -0.445
   54   1HD2  LEU 458          1HD2      LEU 458  -0.948 -16.782  -1.425
   55   2HD2  LEU 458          2HD2      LEU 458  -1.537 -16.291  -3.013
   56   3HD2  LEU 458          3HD2      LEU 458  -1.588 -15.156  -1.664
   57    H    GLY 459           H        GLY 459   0.238 -14.346  -7.137
   58   1HA   GLY 459          2HA       GLY 459  -1.431 -13.966  -8.830
   59   2HA   GLY 459          1HA       GLY 459  -2.663 -14.102  -7.585
   60    HA   PRO 460           HA       PRO 460  -2.201  -9.605  -8.274
   61   1HB   PRO 460          2HB       PRO 460  -4.776  -8.987  -7.709
   62   2HB   PRO 460          1HB       PRO 460  -4.261  -9.574  -9.294
   63   1HG   PRO 460          2HG       PRO 460  -5.550 -11.071  -7.047
   64   2HG   PRO 460          1HG       PRO 460  -5.878 -11.162  -8.787
   65   1HD   PRO 460          2HD       PRO 460  -4.360 -12.992  -7.467
   66   2HD   PRO 460          1HD       PRO 460  -4.106 -12.575  -9.173
   67    H    LEU 461           H        LEU 461  -0.936 -10.236  -6.151
   68    HA   LEU 461           HA       LEU 461  -0.442  -9.739  -3.988
   69   1HB   LEU 461          2HB       LEU 461  -2.582  -7.638  -4.073
   70   2HB   LEU 461          1HB       LEU 461  -1.059  -7.615  -3.205
   71    HG   LEU 461           HG       LEU 461  -1.333  -7.429  -6.206
   72   1HD1  LEU 461          1HD1      LEU 461  -1.701  -5.259  -5.963
   73   2HD1  LEU 461          2HD1      LEU 461  -0.224  -5.102  -5.011
   74   3HD1  LEU 461          3HD1      LEU 461  -1.754  -5.465  -4.212
   75   1HD2  LEU 461          1HD2      LEU 461   1.136  -6.537  -4.937
   76   2HD2  LEU 461          2HD2      LEU 461   0.893  -7.558  -6.354
   77   3HD2  LEU 461          3HD2      LEU 461   0.829  -8.261  -4.737
   78    HA   PRO 462           HA       PRO 462  -3.274 -11.652  -1.211
   79   1HB   PRO 462          2HB       PRO 462  -2.693  -9.800   0.969
   80   2HB   PRO 462          1HB       PRO 462  -2.224 -11.488   0.791
   81   1HG   PRO 462          2HG       PRO 462  -0.439  -9.459   0.653
   82   2HG   PRO 462          1HG       PRO 462  -0.247 -10.971  -0.254
   83   1HD   PRO 462          2HD       PRO 462  -1.246  -8.307  -1.197
   84   2HD   PRO 462          1HD       PRO 462  -0.153  -9.452  -2.006
   85    HA   PRO 463           HA       PRO 463  -7.121  -9.546  -0.678
   86   1HB   PRO 463          2HB       PRO 463  -7.963 -10.179   1.825
   87   2HB   PRO 463          1HB       PRO 463  -7.942 -11.343   0.496
   88   1HG   PRO 463          2HG       PRO 463  -5.955 -10.956   2.705
   89   2HG   PRO 463          1HG       PRO 463  -6.623 -12.465   2.055
   90   1HD   PRO 463          2HD       PRO 463  -4.181 -11.555   1.355
   91   2HD   PRO 463          1HD       PRO 463  -5.215 -12.447   0.224
   92    H    GLY 464           H        GLY 464  -7.667  -7.472  -0.338
   93   1HA   GLY 464          2HA       GLY 464  -7.954  -5.480   0.846
   94   2HA   GLY 464          1HA       GLY 464  -6.985  -6.146   2.151
   95    H    TRP 465           H        TRP 465  -5.062  -6.817  -0.291
   96    HA   TRP 465           HA       TRP 465  -3.517  -4.369   0.043
   97   1HB   TRP 465          2HB       TRP 465  -2.897  -7.136  -0.957
   98   2HB   TRP 465          1HB       TRP 465  -1.786  -5.802  -1.237
   99    HD1  TRP 465           HD       TRP 465  -3.134  -8.022   1.551
  100    HE1  TRP 465           1HE      TRP 465  -1.645  -7.706   3.627
  101    HE3  TRP 465           3HE      TRP 465  -0.310  -4.094  -0.081
  102    HZ2  TRP 465           2HZ      TRP 465   0.447  -6.007   4.452
  103    HZ3  TRP 465           3HZ      TRP 465   1.412  -3.176   1.417
  104    HH2  TRP 465           HH       TRP 465   1.781  -4.115   3.642
  105    H    GLU 466           H        GLU 466  -2.354  -3.501  -1.859
  106    HA   GLU 466           HA       GLU 466  -3.620  -3.896  -4.441
  107   1HB   GLU 466          2HB       GLU 466  -4.312  -1.707  -2.687
  108   2HB   GLU 466          1HB       GLU 466  -3.582  -1.102  -4.167
  109   1HG   GLU 466          2HG       GLU 466  -5.430  -3.103  -4.906
  110   2HG   GLU 466          1HG       GLU 466  -6.225  -2.058  -3.731
  111    H    GLU 467           H        GLU 467  -2.346  -3.262  -6.160
  112    HA   GLU 467           HA       GLU 467   0.419  -2.614  -5.478
  113   1HB   GLU 467          2HB       GLU 467   0.964  -3.309  -7.738
  114   2HB   GLU 467          1HB       GLU 467  -0.028  -4.536  -6.964
  115   1HG   GLU 467          2HG       GLU 467  -1.972  -3.179  -8.143
  116   2HG   GLU 467          1HG       GLU 467  -0.657  -2.734  -9.230
  117    H    ARG 468           H        ARG 468   0.675  -0.462  -5.227
  118    HA   ARG 468           HA       ARG 468  -0.465   1.322  -7.272
  119   1HB   ARG 468          2HB       ARG 468   0.132   1.624  -4.382
  120   2HB   ARG 468          1HB       ARG 468   0.400   3.037  -5.392
  121   1HG   ARG 468          2HG       ARG 468  -2.185   1.550  -5.543
  122   2HG   ARG 468          1HG       ARG 468  -1.886   2.697  -4.235
  123   1HD   ARG 468          2HD       ARG 468  -2.866   4.070  -5.789
  124   2HD   ARG 468          1HD       ARG 468  -1.164   4.271  -6.204
  125    HE   ARG 468           HE       ARG 468  -1.598   3.304  -8.225
  126   1HH1  ARG 468          1HH1      ARG 468  -4.158   2.475  -6.016
  127   2HH1  ARG 468          2HH1      ARG 468  -5.124   1.693  -7.223
  128   1HH2  ARG 468          1HH2      ARG 468  -2.859   2.277  -9.824
  129   2HH2  ARG 468          2HH2      ARG 468  -4.385   1.580  -9.389
  130    H    THR 469           H        THR 469   0.828   2.787  -8.362
  131    HA   THR 469           HA       THR 469   3.639   2.072  -8.497
  132    HB   THR 469           HB       THR 469   3.668   3.720 -10.415
  133    HG1  THR 469           1HG      THR 469   1.696   4.814  -9.610
  134   1HG2  THR 469          1HG2      THR 469   2.226   2.235 -11.890
  135   2HG2  THR 469          2HG2      THR 469   1.826   1.339 -10.425
  136   3HG2  THR 469          3HG2      THR 469   3.500   1.428 -10.974
  137    H    HIS 470           H        HIS 470   5.247   3.188  -7.609
  138    HA   HIS 470           HA       HIS 470   4.684   5.522  -6.032
  139   1HB   HIS 470          2HB       HIS 470   6.356   3.631  -5.504
  140   2HB   HIS 470          1HB       HIS 470   7.435   4.458  -6.623
  141    HD2  HIS 470           2HD      HIS 470   8.869   6.466  -5.550
  142    HE1  HIS 470           1HE      HIS 470   6.683   6.784  -1.939
  143    HE2  HIS 470           2HE      HIS 470   8.803   7.460  -3.154
  144    H    THR 471           H        THR 471   6.003   7.503  -6.186
  145    HA   THR 471           HA       THR 471   5.748   8.746  -8.669
  146    HB   THR 471           HB       THR 471   7.815   9.770  -6.783
  147    HG1  THR 471           1HG      THR 471   6.115  10.508  -5.396
  148   1HG2  THR 471          1HG2      THR 471   7.361  11.703  -7.804
  149   2HG2  THR 471          2HG2      THR 471   5.633  11.526  -7.502
  150   3HG2  THR 471          3HG2      THR 471   6.358  10.789  -8.930
  151    H    ASP 472           H        ASP 472   8.273   6.747  -7.437
  152    HA   ASP 472           HA       ASP 472  10.227   7.677  -9.375
  153   1HB   ASP 472          2HB       ASP 472  10.283   5.613  -7.184
  154   2HB   ASP 472          1HB       ASP 472  11.588   5.748  -8.358
  155    H    GLY 473           H        GLY 473   7.694   5.421  -9.295
  156   1HA   GLY 473          2HA       GLY 473   7.095   4.368 -11.396
  157   2HA   GLY 473          1HA       GLY 473   8.807   4.098 -11.682
  158    H    ARG 474           H        ARG 474   8.946   3.355  -8.688
  159    HA   ARG 474           HA       ARG 474   8.605   0.533  -9.116
  160   1HB   ARG 474          2HB       ARG 474   9.679   2.246  -6.913
  161   2HB   ARG 474          1HB       ARG 474   9.258   0.575  -6.562
  162   1HG   ARG 474          2HG       ARG 474  10.784  -0.190  -8.295
  163   2HG   ARG 474          1HG       ARG 474  11.189   1.482  -8.687
  164   1HD   ARG 474          2HD       ARG 474  12.241   1.818  -6.599
  165   2HD   ARG 474          1HD       ARG 474  11.568   0.328  -5.937
  166    HE   ARG 474           HE       ARG 474  13.252  -0.124  -8.208
  167   1HH1  ARG 474          1HH1      ARG 474  13.222   0.414  -4.769
  168   2HH1  ARG 474          2HH1      ARG 474  14.732  -0.392  -4.498
  169   1HH2  ARG 474          1HH2      ARG 474  15.241  -1.189  -7.865
  170   2HH2  ARG 474          2HH2      ARG 474  15.879  -1.303  -6.258
  171    H    VAL 475           H        VAL 475   6.796  -0.570  -8.774
  172    HA   VAL 475           HA       VAL 475   4.543   0.662  -7.478
  173    HB   VAL 475           HB       VAL 475   4.274  -0.765  -9.468
  174   1HG1  VAL 475          1HG1      VAL 475   6.088  -2.384  -8.675
  175   2HG1  VAL 475          2HG1      VAL 475   4.691  -3.077  -9.491
  176   3HG1  VAL 475          3HG1      VAL 475   4.825  -3.169  -7.732
  177   1HG2  VAL 475          1HG2      VAL 475   2.354  -2.151  -8.513
  178   2HG2  VAL 475          2HG2      VAL 475   2.329  -0.425  -8.171
  179   3HG2  VAL 475          3HG2      VAL 475   2.850  -1.553  -6.925
  180    H    PHE 476           H        PHE 476   4.410   0.733  -5.333
  181    HA   PHE 476           HA       PHE 476   5.595  -1.383  -3.715
  182   1HB   PHE 476          2HB       PHE 476   5.123   0.100  -1.806
  183   2HB   PHE 476          1HB       PHE 476   6.047   0.925  -3.056
  184    HD1  PHE 476           1HD      PHE 476   5.115   2.753  -4.290
  185    HD2  PHE 476           2HD      PHE 476   2.785   0.650  -1.419
  186    HE1  PHE 476           1HE      PHE 476   3.430   4.545  -4.356
  187    HE2  PHE 476           2HE      PHE 476   1.093   2.437  -1.478
  188    HZ   PHE 476           HZ       PHE 476   1.415   4.387  -2.948
  189    H    PHE 477           H        PHE 477   4.166  -1.763  -1.587
  190    HA   PHE 477           HA       PHE 477   1.556  -2.689  -2.578
  191   1HB   PHE 477          2HB       PHE 477   3.210  -3.698  -0.256
  192   2HB   PHE 477          1HB       PHE 477   1.643  -4.340  -0.740
  193    HD1  PHE 477           1HD      PHE 477   5.076  -3.735  -2.037
  194    HD2  PHE 477           2HD      PHE 477   1.534  -6.084  -2.257
  195    HE1  PHE 477           1HE      PHE 477   6.196  -5.273  -3.598
  196    HE2  PHE 477           2HE      PHE 477   2.649  -7.626  -3.816
  197    HZ   PHE 477           HZ       PHE 477   4.983  -7.222  -4.488
  198    H    ILE 478           H        ILE 478  -0.307  -2.483  -1.258
  199    HA   ILE 478           HA       ILE 478  -0.124  -0.821   1.126
  200    HB   ILE 478           HB       ILE 478  -0.358   0.780  -0.770
  201   1HG1  ILE 478          2HG1      ILE 478  -2.622   0.544   1.209
  202   2HG1  ILE 478          1HG1      ILE 478  -1.190   1.558   1.317
  203   1HG2  ILE 478          1HG2      ILE 478  -1.764  -0.889  -2.108
  204   2HG2  ILE 478          2HG2      ILE 478  -2.172   0.822  -2.217
  205   3HG2  ILE 478          3HG2      ILE 478  -3.129  -0.248  -1.194
  206   1HD1  ILE 478          1HD1      ILE 478  -3.766   2.163   0.216
  207   2HD1  ILE 478          2HD1      ILE 478  -2.523   2.361  -1.021
  208   3HD1  ILE 478          3HD1      ILE 478  -2.395   3.236   0.506
  209    H    ASN 479           H        ASN 479  -1.473  -1.602   2.628
  210    HA   ASN 479           HA       ASN 479  -3.574  -3.446   1.776
  211   1HB   ASN 479          2HB       ASN 479  -3.570  -4.307   3.993
  212   2HB   ASN 479          1HB       ASN 479  -1.882  -4.082   3.547
  213   1HD2  ASN 479          1HD2      ASN 479  -2.538  -4.337   6.151
  214   2HD2  ASN 479          2HD2      ASN 479  -2.351  -2.830   6.972
  215    H    HIS 480           H        HIS 480  -5.718  -3.300   2.564
  216    HA   HIS 480           HA       HIS 480  -6.528  -0.536   3.145
  217   1HB   HIS 480          2HB       HIS 480  -7.919  -2.847   1.820
  218   2HB   HIS 480          1HB       HIS 480  -8.838  -1.490   2.462
  219    HD2  HIS 480           2HD      HIS 480  -5.496  -1.204   0.399
  220    HE1  HIS 480           1HE      HIS 480  -8.647   0.738  -1.653
  221    HE2  HIS 480           2HE      HIS 480  -6.198   0.086  -1.739
  222    H    ASN 481           H        ASN 481  -6.107  -3.464   4.729
  223    HA   ASN 481           HA       ASN 481  -8.365  -3.645   6.370
  224   1HB   ASN 481          2HB       ASN 481  -5.627  -4.303   7.413
  225   2HB   ASN 481          1HB       ASN 481  -7.152  -5.134   7.699
  226   1HD2  ASN 481          1HD2      ASN 481  -4.414  -4.810   5.665
  227   2HD2  ASN 481          2HD2      ASN 481  -4.774  -6.114   4.592
  228    H    ILE 482           H        ILE 482  -5.308  -1.913   6.869
  229    HA   ILE 482           HA       ILE 482  -6.683  -0.247   8.867
  230    HB   ILE 482           HB       ILE 482  -4.352  -0.069   9.968
  231   1HG1  ILE 482          2HG1      ILE 482  -4.062  -2.753   8.600
  232   2HG1  ILE 482          1HG1      ILE 482  -3.184  -1.297   8.138
  233   1HG2  ILE 482          1HG2      ILE 482  -5.779  -1.027  11.419
  234   2HG2  ILE 482          2HG2      ILE 482  -4.895  -2.497  11.015
  235   3HG2  ILE 482          3HG2      ILE 482  -6.424  -2.141  10.213
  236   1HD1  ILE 482          1HD1      ILE 482  -2.627  -1.461  10.797
  237   2HD1  ILE 482          2HD1      ILE 482  -1.602  -2.076   9.501
  238   3HD1  ILE 482          3HD1      ILE 482  -2.716  -3.160  10.334
  239    H    LYS 483           H        LYS 483  -6.118   0.140   6.001
  240    HA   LYS 483           HA       LYS 483  -5.176   1.638   4.541
  241   1HB   LYS 483          2HB       LYS 483  -5.574   3.525   6.867
  242   2HB   LYS 483          1HB       LYS 483  -5.560   3.936   5.157
  243   1HG   LYS 483          2HG       LYS 483  -7.819   3.941   5.814
  244   2HG   LYS 483          1HG       LYS 483  -7.581   2.448   4.905
  245   1HD   LYS 483          2HD       LYS 483  -7.849   1.124   6.742
  246   2HD   LYS 483          1HD       LYS 483  -7.182   2.332   7.843
  247   1HE   LYS 483          2HE       LYS 483  -9.869   2.605   6.511
  248   2HE   LYS 483          1HE       LYS 483  -9.645   1.866   8.098
  249   1HZ   LYS 483          1HZ       LYS 483  -9.931   4.561   7.512
  250   2HZ   LYS 483          2HZ       LYS 483  -8.326   4.360   8.007
  251   3HZ   LYS 483          3HZ       LYS 483  -9.589   3.865   9.017
  252    H    LYS 484           H        LYS 484  -3.064   0.638   4.605
  253    HA   LYS 484           HA       LYS 484  -1.034   2.516   5.504
  254   1HB   LYS 484          2HB       LYS 484  -1.629   0.332   7.093
  255   2HB   LYS 484          1HB       LYS 484  -0.253  -0.223   6.150
  256   1HG   LYS 484          2HG       LYS 484   1.186   1.157   7.189
  257   2HG   LYS 484          1HG       LYS 484   0.011   2.468   7.307
  258   1HD   LYS 484          2HD       LYS 484  -0.902   0.356   8.956
  259   2HD   LYS 484          1HD       LYS 484   0.810   0.596   9.305
  260   1HE   LYS 484          2HE       LYS 484  -1.372   2.674   9.387
  261   2HE   LYS 484          1HE       LYS 484  -0.500   1.997  10.761
  262   1HZ   LYS 484          1HZ       LYS 484   0.887   3.698  10.530
  263   2HZ   LYS 484          2HZ       LYS 484   0.238   4.140   9.031
  264   3HZ   LYS 484          3HZ       LYS 484   1.454   2.968   9.112
  265    H    THR 485           H        THR 485   1.165   1.837   4.719
  266    HA   THR 485           HA       THR 485   1.112   0.122   2.356
  267    HB   THR 485           HB       THR 485   0.751   2.076   1.164
  268    HG1  THR 485           1HG      THR 485   2.708   1.206   0.425
  269   1HG2  THR 485          1HG2      THR 485   0.717   3.993   2.309
  270   2HG2  THR 485          2HG2      THR 485   2.464   4.077   2.081
  271   3HG2  THR 485          3HG2      THR 485   1.800   3.349   3.543
  272    H    GLN 486           H        GLN 486   3.342  -0.272   1.506
  273    HA   GLN 486           HA       GLN 486   5.558   0.344   3.245
  274   1HB   GLN 486          2HB       GLN 486   6.063  -2.144   3.549
  275   2HB   GLN 486          1HB       GLN 486   4.780  -1.463   4.541
  276   1HG   GLN 486          2HG       GLN 486   3.117  -2.548   3.376
  277   2HG   GLN 486          1HG       GLN 486   4.108  -2.732   1.932
  278   1HE2  GLN 486          1HE2      GLN 486   5.589  -4.400   1.815
  279   2HE2  GLN 486          2HE2      GLN 486   5.532  -5.753   2.884
  280    H    TRP 487           H        TRP 487   7.537   0.021   2.273
  281    HA   TRP 487           HA       TRP 487   7.545  -0.137  -0.570
  282   1HB   TRP 487          2HB       TRP 487   9.487   0.407   1.566
  283   2HB   TRP 487          1HB       TRP 487  10.177  -0.392   0.157
  284    HD1  TRP 487           HD       TRP 487  10.072   2.884   1.355
  285    HE1  TRP 487           1HE      TRP 487   9.926   4.663  -0.499
  286    HE3  TRP 487           3HE      TRP 487   8.519  -0.090  -2.503
  287    HZ2  TRP 487           2HZ      TRP 487   9.242   4.789  -3.235
  288    HZ3  TRP 487           3HZ      TRP 487   8.141   0.938  -4.707
  289    HH2  TRP 487           HH       TRP 487   8.496   3.328  -5.063
  290    H    GLU 488           H        GLU 488   8.492  -2.329   2.032
  291    HA   GLU 488           HA       GLU 488   9.705  -4.307   0.456
  292   1HB   GLU 488          2HB       GLU 488   9.309  -3.935   3.134
  293   2HB   GLU 488          1HB       GLU 488   8.220  -5.275   2.804
  294   1HG   GLU 488          2HG       GLU 488   9.904  -6.705   2.728
  295   2HG   GLU 488          1HG       GLU 488  10.749  -5.727   1.529
  296    H    ASP 489           H        ASP 489   8.556  -6.686   0.805
  297    HA   ASP 489           HA       ASP 489   5.999  -6.449  -0.632
  298   1HB   ASP 489          2HB       ASP 489   8.023  -8.686  -0.828
  299   2HB   ASP 489          1HB       ASP 489   6.541  -8.532  -1.768
  300    HA   PRO 490           HA       PRO 490   4.559  -8.550   3.094
  301   1HB   PRO 490          2HB       PRO 490   1.915  -8.399   2.533
  302   2HB   PRO 490          1HB       PRO 490   2.838  -7.025   3.150
  303   1HG   PRO 490          2HG       PRO 490   2.013  -7.645   0.343
  304   2HG   PRO 490          1HG       PRO 490   1.993  -6.093   1.196
  305   1HD   PRO 490          2HD       PRO 490   3.947  -6.797  -0.558
  306   2HD   PRO 490          1HD       PRO 490   4.227  -5.717   0.820
  307    H    ARG 491           H        ARG 491   3.380  -9.286  -0.174
  308    HA   ARG 491           HA       ARG 491   2.426 -11.888   0.523
  309   1HB   ARG 491          2HB       ARG 491   2.370 -12.181  -2.010
  310   2HB   ARG 491          1HB       ARG 491   1.370 -10.902  -1.335
  311   1HG   ARG 491          2HG       ARG 491   2.842  -9.220  -2.072
  312   2HG   ARG 491          1HG       ARG 491   4.121 -10.385  -2.418
  313   1HD   ARG 491          2HD       ARG 491   1.470 -10.318  -3.848
  314   2HD   ARG 491          1HD       ARG 491   2.924  -9.513  -4.435
  315    HE   ARG 491           HE       ARG 491   3.512 -12.211  -3.937
  316   1HH1  ARG 491          1HH1      ARG 491   1.662 -10.236  -6.128
  317   2HH1  ARG 491          2HH1      ARG 491   1.792 -11.351  -7.448
  318   1HH2  ARG 491          1HH2      ARG 491   3.692 -13.686  -5.669
  319   2HH2  ARG 491          2HH2      ARG 491   2.946 -13.311  -7.187
  320    H    MET 492           H        MET 492   5.493 -10.588  -0.385
  321    HA   MET 492           HA       MET 492   6.583 -13.147  -1.192
  322   1HB   MET 492          2HB       MET 492   7.226 -10.587  -1.845
  323   2HB   MET 492          1HB       MET 492   8.438 -10.928  -0.618
  324   1HG   MET 492          2HG       MET 492   7.938 -12.593  -3.074
  325   2HG   MET 492          1HG       MET 492   9.226 -11.405  -2.889
  326   1HE   MET 492          1HE       MET 492  12.018 -13.368  -1.926
  327   2HE   MET 492          2HE       MET 492  11.484 -12.047  -0.887
  328   3HE   MET 492          3HE       MET 492  11.264 -11.939  -2.633
  329    H    GLN 493           H        GLN 493   6.316 -11.262   1.688
  330    HA   GLN 493           HA       GLN 493   8.519 -12.259   3.124
  331   1HB   GLN 493          2HB       GLN 493   7.319 -10.305   3.893
  332   2HB   GLN 493          1HB       GLN 493   5.844 -11.241   4.090
  333   1HG   GLN 493          2HG       GLN 493   6.414 -11.824   6.144
  334   2HG   GLN 493          1HG       GLN 493   7.976 -12.429   5.596
  335   1HE2  GLN 493          1HE2      GLN 493   9.445 -10.445   4.906
  336   2HE2  GLN 493          2HE2      GLN 493   9.592  -9.235   6.131
  337    H    ASN 494           H        ASN 494   8.547 -14.512   2.567
  338    HA   ASN 494           HA       ASN 494   7.279 -16.137   4.543
  339   1HB   ASN 494          2HB       ASN 494   6.215 -17.665   2.766
  340   2HB   ASN 494          1HB       ASN 494   5.364 -16.181   3.185
  341   1HD2  ASN 494          1HD2      ASN 494   4.526 -15.236   1.490
  342   2HD2  ASN 494          2HD2      ASN 494   5.217 -15.164  -0.091
  343    H    VAL 495           H        VAL 495   8.899 -16.133   1.387
  344    HA   VAL 495           HA       VAL 495  10.503 -17.495   0.493
  345    HB   VAL 495           HB       VAL 495  11.810 -16.067   2.031
  346   1HG1  VAL 495          1HG1      VAL 495  11.070 -16.553   4.181
  347   2HG1  VAL 495          2HG1      VAL 495  12.666 -17.299   4.126
  348   3HG1  VAL 495          3HG1      VAL 495  11.222 -18.294   3.945
  349   1HG2  VAL 495          1HG2      VAL 495  13.439 -17.155   0.965
  350   2HG2  VAL 495          2HG2      VAL 495  12.571 -18.689   1.044
  351   3HG2  VAL 495          3HG2      VAL 495  13.568 -18.169   2.403
  352    H    ALA 496           H        ALA 496   8.305 -18.998   1.264
  353    HA   ALA 496           HA       ALA 496   9.448 -21.594   1.427
  354   1HB   ALA 496          1HB       ALA 496   8.271 -20.411   3.898
  355   2HB   ALA 496          2HB       ALA 496   9.677 -21.457   3.710
  356   3HB   ALA 496          3HB       ALA 496   8.053 -22.131   3.577
  357    H    ILE 497           H        ILE 497   7.511 -23.233   1.938
  358    HA   ILE 497           HA       ILE 497   5.465 -22.554  -0.016
  359    HB   ILE 497           HB       ILE 497   6.415 -24.763  -0.232
  360   1HG1  ILE 497          2HG1      ILE 497   4.005 -25.914   0.713
  361   2HG1  ILE 497          1HG1      ILE 497   3.615 -24.283   0.175
  362   1HG2  ILE 497          1HG2      ILE 497   7.178 -25.149   2.013
  363   2HG2  ILE 497          2HG2      ILE 497   6.099 -26.465   1.549
  364   3HG2  ILE 497          3HG2      ILE 497   5.521 -25.185   2.617
  365   1HD1  ILE 497          1HD1      ILE 497   3.493 -26.246  -1.509
  366   2HD1  ILE 497          2HD1      ILE 497   5.248 -26.072  -1.571
  367   3HD1  ILE 497          3HD1      ILE 497   4.210 -24.714  -2.009
  368    H    THR 498           H        THR 498   4.965 -20.861   1.874
  369    HA   THR 498           HA       THR 498   3.060 -22.006   3.777
  370    HB   THR 498           HB       THR 498   3.210 -20.051   5.027
  371    HG1  THR 498           1HG      THR 498   3.698 -18.067   4.174
  372   1HG2  THR 498          1HG2      THR 498   5.909 -19.594   3.985
  373   2HG2  THR 498          2HG2      THR 498   5.546 -21.289   4.314
  374   3HG2  THR 498          3HG2      THR 498   5.384 -20.086   5.595
  375    H    GLY 499           H        GLY 499   0.907 -21.768   3.614
  376   1HA   GLY 499          2HA       GLY 499  -0.773 -19.945   2.832
  377   2HA   GLY 499          1HA       GLY 499  -0.102 -20.336   1.256
  378   1H    GLY 605          1HT       GLY 605  18.710  14.662  -5.530
  379   2H    GLY 605          2HT       GLY 605  19.037  15.043  -3.915
  380   3H    GLY 605          3HT       GLY 605  17.564  14.323  -4.332
  381   1HA   GLY 605          1HA       GLY 605  20.086  13.108  -3.763
  382   2HA   GLY 605          2HA       GLY 605  18.486  12.384  -3.811
  383    H    SER 606           H        SER 606  20.643  10.967  -4.710
  384    HA   SER 606           HA       SER 606  20.498  11.139  -7.639
  385   1HB   SER 606          2HB       SER 606  22.411   9.203  -6.901
  386   2HB   SER 606          1HB       SER 606  22.713  10.819  -7.541
  387    HG   SER 606           HG       SER 606  22.589  11.564  -5.334
  388    H    THR 607           H        THR 607  20.375   8.772  -4.987
  389    HA   THR 607           HA       THR 607  18.807   7.012  -6.761
  390    HB   THR 607           HB       THR 607  20.268   5.897  -4.403
  391    HG1  THR 607           1HG      THR 607  22.109   5.605  -5.765
  392   1HG2  THR 607          1HG2      THR 607  20.483   4.259  -6.659
  393   2HG2  THR 607          2HG2      THR 607  18.849   4.921  -6.719
  394   3HG2  THR 607          3HG2      THR 607  19.394   4.045  -5.288
  395    H    LEU 608           H        LEU 608  19.422   7.519  -3.278
  396    HA   LEU 608           HA       LEU 608  18.041   7.418  -1.469
  397   1HB   LEU 608          2HB       LEU 608  17.264   9.510  -2.488
  398   2HB   LEU 608          1HB       LEU 608  16.098   8.615  -3.445
  399    HG   LEU 608           HG       LEU 608  15.618   7.922  -0.749
  400   1HD1  LEU 608          1HD1      LEU 608  16.927   9.950  -0.182
  401   2HD1  LEU 608          2HD1      LEU 608  15.240  10.034   0.326
  402   3HD1  LEU 608          3HD1      LEU 608  15.773  10.909  -1.110
  403   1HD2  LEU 608          1HD2      LEU 608  13.885   7.947  -2.364
  404   2HD2  LEU 608          2HD2      LEU 608  14.181   9.641  -2.758
  405   3HD2  LEU 608          3HD2      LEU 608  13.495   9.206  -1.192
  406    HA   PRO 609           HA       PRO 609  15.936   3.564  -3.191
  407   1HB   PRO 609          2HB       PRO 609  17.325   1.783  -1.671
  408   2HB   PRO 609          1HB       PRO 609  17.858   2.311  -3.272
  409   1HG   PRO 609          2HG       PRO 609  18.743   3.258  -0.572
  410   2HG   PRO 609          1HG       PRO 609  19.722   2.896  -2.007
  411   1HD   PRO 609          2HD       PRO 609  19.068   5.421  -1.310
  412   2HD   PRO 609          1HD       PRO 609  19.232   4.920  -3.006
  413    H    ILE 610           H        ILE 610  16.862   4.596   0.047
  414    HA   ILE 610           HA       ILE 610  14.251   3.663   1.019
  415    HB   ILE 610           HB       ILE 610  16.847   3.376   2.537
  416   1HG1  ILE 610          2HG1      ILE 610  15.068   1.103   1.725
  417   2HG1  ILE 610          1HG1      ILE 610  16.220   1.762   0.568
  418   1HG2  ILE 610          1HG2      ILE 610  15.671   3.026   4.399
  419   2HG2  ILE 610          2HG2      ILE 610  14.523   1.975   3.570
  420   3HG2  ILE 610          3HG2      ILE 610  14.298   3.724   3.542
  421   1HD1  ILE 610          1HD1      ILE 610  17.112   0.934   3.295
  422   2HD1  ILE 610          2HD1      ILE 610  18.046   1.071   1.805
  423   3HD1  ILE 610          3HD1      ILE 610  16.901  -0.254   2.010
  424    HA   PRO 611           HA       PRO 611  14.588   8.088   2.098
  425   1HB   PRO 611          2HB       PRO 611  11.908   8.483   2.297
  426   2HB   PRO 611          1HB       PRO 611  12.772   8.506   0.755
  427   1HG   PRO 611          2HG       PRO 611  11.179   6.298   2.003
  428   2HG   PRO 611          1HG       PRO 611  11.196   6.851   0.318
  429   1HD   PRO 611          2HD       PRO 611  12.554   4.660   1.141
  430   2HD   PRO 611          1HD       PRO 611  13.137   5.706  -0.170
  431    H    GLY 612           H        GLY 612  12.297   5.804   3.600
  432   1HA   GLY 612          2HA       GLY 612  13.009   5.414   6.045
  433   2HA   GLY 612          1HA       GLY 612  12.751   7.146   6.180
  434    H    THR 613           H        THR 613  10.478   7.658   4.921
  435    HA   THR 613           HA       THR 613   8.517   6.257   6.555
  436    HB   THR 613           HB       THR 613   6.960   8.058   5.545
  437    HG1  THR 613           1HG      THR 613   8.262   9.949   4.915
  438   1HG2  THR 613          1HG2      THR 613   7.241   8.921   7.577
  439   2HG2  THR 613          2HG2      THR 613   8.730   9.702   7.044
  440   3HG2  THR 613          3HG2      THR 613   8.783   8.077   7.727
  441    HA   PRO 614           HA       PRO 614   7.098   3.500   3.378
  442   1HB   PRO 614          2HB       PRO 614   4.428   4.230   4.508
  443   2HB   PRO 614          1HB       PRO 614   5.099   2.633   4.155
  444   1HG   PRO 614          2HG       PRO 614   4.993   3.532   6.657
  445   2HG   PRO 614          1HG       PRO 614   6.390   2.603   6.082
  446   1HD   PRO 614          2HD       PRO 614   6.144   5.521   6.614
  447   2HD   PRO 614          1HD       PRO 614   7.553   4.454   6.783
  448    HA   PRO 615           HA       PRO 615   5.838   5.845  -0.136
  449   1HB   PRO 615          2HB       PRO 615   3.655   3.841  -0.498
  450   2HB   PRO 615          1HB       PRO 615   4.863   4.412  -1.656
  451   1HG   PRO 615          2HG       PRO 615   5.108   2.022  -0.513
  452   2HG   PRO 615          1HG       PRO 615   6.529   3.047  -0.792
  453   1HD   PRO 615          2HD       PRO 615   5.069   2.476   1.745
  454   2HD   PRO 615          1HD       PRO 615   6.802   2.748   1.476
  455    HA   PRO 616           HA       PRO 616   2.343   8.499   0.369
  456   1HB   PRO 616          2HB       PRO 616   0.848   7.120  -1.816
  457   2HB   PRO 616          1HB       PRO 616   1.162   8.844  -1.582
  458   1HG   PRO 616          2HG       PRO 616   2.534   7.447  -3.386
  459   2HG   PRO 616          1HG       PRO 616   3.324   8.698  -2.408
  460   1HD   PRO 616          2HD       PRO 616   3.486   5.732  -2.184
  461   2HD   PRO 616          1HD       PRO 616   4.720   6.961  -1.844
  462    H    ASN 617           H        ASN 617   1.213   8.175   2.181
  463    HA   ASN 617           HA       ASN 617  -0.002   5.786   2.969
  464   1HB   ASN 617          2HB       ASN 617   0.319   8.402   4.036
  465   2HB   ASN 617          1HB       ASN 617  -1.388   7.987   4.160
  466   1HD2  ASN 617          1HD2      ASN 617  -1.757   5.685   4.973
  467   2HD2  ASN 617          2HD2      ASN 617  -0.805   5.205   6.332
  468    H    TYR 618           H        TYR 618  -2.224   5.204   3.135
  469    HA   TYR 618           HA       TYR 618  -3.697   5.544   0.785
  470   1HB   TYR 618          2HB       TYR 618  -3.932   3.651   2.418
  471   2HB   TYR 618          1HB       TYR 618  -4.807   4.745   3.482
  472    HD1  TYR 618           1HD      TYR 618  -7.091   4.491   3.453
  473    HD2  TYR 618           2HD      TYR 618  -4.919   3.799  -0.138
  474    HE1  TYR 618           1HE      TYR 618  -9.191   3.941   2.297
  475    HE2  TYR 618           2HE      TYR 618  -7.012   3.248  -1.305
  476    HH   TYR 618           HH       TYR 618 -10.055   3.935  -0.050
  477    H    ASP 619           H        ASP 619  -3.758   7.282   3.827
  478    HA   ASP 619           HA       ASP 619  -6.166   8.693   3.422
  479   1HB   ASP 619          2HB       ASP 619  -4.346   8.499   5.465
  480   2HB   ASP 619          1HB       ASP 619  -4.066  10.138   4.886
  481    H    SER 620           H        SER 620  -2.974   9.079   2.143
  482    HA   SER 620           HA       SER 620  -3.546  11.766   1.156
  483   1HB   SER 620          2HB       SER 620  -1.246  10.761   2.107
  484   2HB   SER 620          1HB       SER 620  -1.032  10.368   0.401
  485    HG   SER 620           HG       SER 620  -0.350  12.556   1.302
  486    H    LEU 621           H        LEU 621  -3.476   8.479   0.094
  487    HA   LEU 621           HA       LEU 621  -3.225   9.010  -2.699
  488   1HB   LEU 621          2HB       LEU 621  -3.865   6.652  -1.010
  489   2HB   LEU 621          1HB       LEU 621  -4.371   6.597  -2.687
  490    HG   LEU 621           HG       LEU 621  -1.543   6.988  -1.708
  491   1HD1  LEU 621          1HD1      LEU 621  -1.144   4.783  -2.649
  492   2HD1  LEU 621          2HD1      LEU 621  -2.842   4.655  -3.105
  493   3HD1  LEU 621          3HD1      LEU 621  -2.389   4.712  -1.403
  494   1HD2  LEU 621          1HD2      LEU 621  -1.685   8.187  -3.717
  495   2HD2  LEU 621          2HD2      LEU 621  -2.755   6.994  -4.454
  496   3HD2  LEU 621          3HD2      LEU 621  -1.056   6.605  -4.181
  Start of MODEL    6
    1   1H    GLY 450          1HT       GLY 450  11.183 -29.305  -6.451
    2   2H    GLY 450          2HT       GLY 450   9.738 -29.172  -5.582
    3   3H    GLY 450          3HT       GLY 450  11.220 -29.147  -4.766
    4   1HA   GLY 450          1HA       GLY 450  10.911 -27.123  -6.817
    5   2HA   GLY 450          2HA       GLY 450   9.841 -26.955  -5.434
    6    H    SER 451           H        SER 451  12.538 -25.741  -6.582
    7    HA   SER 451           HA       SER 451  14.281 -25.968  -4.302
    8   1HB   SER 451          2HB       SER 451  14.613 -25.242  -6.974
    9   2HB   SER 451          1HB       SER 451  14.882 -23.747  -6.078
   10    HG   SER 451           HG       SER 451  16.749 -24.521  -5.546
   11    HA   PRO 452           HA       PRO 452  12.913 -21.237  -3.904
   12   1HB   PRO 452          2HB       PRO 452  10.184 -21.594  -5.042
   13   2HB   PRO 452          1HB       PRO 452  11.278 -20.210  -5.152
   14   1HG   PRO 452          2HG       PRO 452  10.921 -21.827  -7.236
   15   2HG   PRO 452          1HG       PRO 452  12.522 -21.159  -6.864
   16   1HD   PRO 452          2HD       PRO 452  11.459 -23.910  -6.399
   17   2HD   PRO 452          1HD       PRO 452  13.092 -23.394  -6.863
   18    H    VAL 453           H        VAL 453  12.831 -21.636  -1.742
   19    HA   VAL 453           HA       VAL 453  10.738 -23.213  -0.554
   20    HB   VAL 453           HB       VAL 453  13.015 -23.167   0.398
   21   1HG1  VAL 453          1HG1      VAL 453  12.987 -20.509  -0.017
   22   2HG1  VAL 453          2HG1      VAL 453  14.073 -21.307   1.120
   23   3HG1  VAL 453          3HG1      VAL 453  12.587 -20.556   1.700
   24   1HG2  VAL 453          1HG2      VAL 453  11.272 -23.874   1.856
   25   2HG2  VAL 453          2HG2      VAL 453  10.766 -22.212   2.159
   26   3HG2  VAL 453          3HG2      VAL 453  12.311 -22.791   2.781
   27    H    ASP 454           H        ASP 454  11.243 -19.876  -1.279
   28    HA   ASP 454           HA       ASP 454   8.798 -19.200   0.218
   29   1HB   ASP 454          2HB       ASP 454  11.001 -17.236  -0.401
   30   2HB   ASP 454          1HB       ASP 454   9.659 -17.044   0.722
   31    H    SER 455           H        SER 455   8.522 -16.604  -0.814
   32    HA   SER 455           HA       SER 455   7.863 -15.386  -2.662
   33   1HB   SER 455          2HB       SER 455   9.734 -16.989  -3.810
   34   2HB   SER 455          1HB       SER 455   8.286 -17.525  -4.662
   35    HG   SER 455           HG       SER 455   8.256 -15.705  -5.708
   36    H    ASN 456           H        ASN 456   7.142 -18.734  -3.646
   37    HA   ASN 456           HA       ASN 456   5.183 -19.756  -4.190
   38   1HB   ASN 456          2HB       ASN 456   4.216 -18.029  -1.904
   39   2HB   ASN 456          1HB       ASN 456   3.272 -19.326  -2.630
   40   1HD2  ASN 456          1HD2      ASN 456   5.364 -18.541  -0.193
   41   2HD2  ASN 456          2HD2      ASN 456   5.893 -20.127   0.240
   42    H    ASP 457           H        ASP 457   2.737 -19.275  -4.704
   43    HA   ASP 457           HA       ASP 457   2.650 -16.757  -6.235
   44   1HB   ASP 457          2HB       ASP 457   2.770 -19.064  -7.464
   45   2HB   ASP 457          1HB       ASP 457   1.067 -19.176  -7.033
   46    H    LEU 458           H        LEU 458   1.475 -15.474  -4.901
   47    HA   LEU 458           HA       LEU 458  -0.987 -16.500  -3.716
   48   1HB   LEU 458          2HB       LEU 458   0.631 -14.000  -3.347
   49   2HB   LEU 458          1HB       LEU 458  -1.016 -14.095  -2.752
   50    HG   LEU 458           HG       LEU 458   1.224 -15.951  -1.943
   51   1HD1  LEU 458          1HD1      LEU 458   0.237 -13.382  -0.867
   52   2HD1  LEU 458          2HD1      LEU 458   1.846 -14.101  -0.799
   53   3HD1  LEU 458          3HD1      LEU 458   0.585 -14.656   0.302
   54   1HD2  LEU 458          1HD2      LEU 458  -0.375 -16.646  -0.186
   55   2HD2  LEU 458          2HD2      LEU 458  -0.912 -17.055  -1.815
   56   3HD2  LEU 458          3HD2      LEU 458  -1.618 -15.675  -0.974
   57    H    GLY 459           H        GLY 459   0.104 -14.494  -6.315
   58   1HA   GLY 459          2HA       GLY 459  -1.315 -14.024  -8.178
   59   2HA   GLY 459          1HA       GLY 459  -2.696 -14.055  -7.091
   60    HA   PRO 460           HA       PRO 460  -1.915  -9.601  -7.892
   61   1HB   PRO 460          2HB       PRO 460  -4.759  -9.399  -7.168
   62   2HB   PRO 460          1HB       PRO 460  -3.934  -8.854  -8.629
   63   1HG   PRO 460          2HG       PRO 460  -5.610 -10.960  -8.640
   64   2HG   PRO 460          1HG       PRO 460  -4.181 -10.887  -9.687
   65   1HD   PRO 460          2HD       PRO 460  -4.581 -12.379  -7.123
   66   2HD   PRO 460          1HD       PRO 460  -3.749 -12.891  -8.607
   67    H    LEU 461           H        LEU 461  -0.738 -10.167  -5.755
   68    HA   LEU 461           HA       LEU 461  -0.290  -9.648  -3.585
   69   1HB   LEU 461          2HB       LEU 461  -2.371  -7.494  -3.918
   70   2HB   LEU 461          1HB       LEU 461  -1.012  -7.505  -2.809
   71    HG   LEU 461           HG       LEU 461   0.472  -7.530  -4.904
   72   1HD1  LEU 461          1HD1      LEU 461  -0.927  -8.031  -6.672
   73   2HD1  LEU 461          2HD1      LEU 461  -0.749  -6.283  -6.805
   74   3HD1  LEU 461          3HD1      LEU 461  -2.210  -6.968  -6.095
   75   1HD2  LEU 461          1HD2      LEU 461  -0.678  -5.469  -3.392
   76   2HD2  LEU 461          2HD2      LEU 461  -0.748  -4.939  -5.072
   77   3HD2  LEU 461          3HD2      LEU 461   0.797  -5.402  -4.359
   78    HA   PRO 462           HA       PRO 462  -3.207 -11.486  -0.858
   79   1HB   PRO 462          2HB       PRO 462  -2.685  -9.561   1.283
   80   2HB   PRO 462          1HB       PRO 462  -2.264 -11.268   1.193
   81   1HG   PRO 462          2HG       PRO 462  -0.405  -9.319   1.052
   82   2HG   PRO 462          1HG       PRO 462  -0.238 -10.857   0.186
   83   1HD   PRO 462          2HD       PRO 462  -1.108  -8.183  -0.849
   84   2HD   PRO 462          1HD       PRO 462  -0.035  -9.384  -1.597
   85    HA   PRO 463           HA       PRO 463  -7.104  -9.444  -0.586
   86   1HB   PRO 463          2HB       PRO 463  -7.978  -9.969   1.957
   87   2HB   PRO 463          1HB       PRO 463  -8.007 -11.149   0.644
   88   1HG   PRO 463          2HG       PRO 463  -6.012 -10.818   2.849
   89   2HG   PRO 463          1HG       PRO 463  -6.715 -12.306   2.190
   90   1HD   PRO 463          2HD       PRO 463  -4.245 -11.487   1.512
   91   2HD   PRO 463          1HD       PRO 463  -5.311 -12.303   0.349
   92    H    GLY 464           H        GLY 464  -7.721  -7.379  -0.325
   93   1HA   GLY 464          2HA       GLY 464  -8.029  -5.324   0.721
   94   2HA   GLY 464          1HA       GLY 464  -7.135  -5.927   2.107
   95    H    TRP 465           H        TRP 465  -5.142  -6.675  -0.320
   96    HA   TRP 465           HA       TRP 465  -3.566  -4.257   0.070
   97   1HB   TRP 465          2HB       TRP 465  -2.964  -7.039  -0.886
   98   2HB   TRP 465          1HB       TRP 465  -1.832  -5.728  -1.193
   99    HD1  TRP 465           HD       TRP 465  -3.295  -7.784   1.684
  100    HE1  TRP 465           1HE      TRP 465  -1.793  -7.455   3.749
  101    HE3  TRP 465           3HE      TRP 465  -0.255  -4.107  -0.118
  102    HZ2  TRP 465           2HZ      TRP 465   0.389  -5.837   4.501
  103    HZ3  TRP 465           3HZ      TRP 465   1.510  -3.213   1.336
  104    HH2  TRP 465           HH       TRP 465   1.828  -4.062   3.605
  105    H    GLU 466           H        GLU 466  -2.357  -3.366  -1.801
  106    HA   GLU 466           HA       GLU 466  -3.606  -3.726  -4.405
  107   1HB   GLU 466          2HB       GLU 466  -4.474  -1.696  -2.684
  108   2HB   GLU 466          1HB       GLU 466  -3.411  -0.892  -3.827
  109   1HG   GLU 466          2HG       GLU 466  -4.841  -2.333  -5.551
  110   2HG   GLU 466          1HG       GLU 466  -6.031  -2.187  -4.259
  111    H    GLU 467           H        GLU 467  -2.311  -3.133  -6.116
  112    HA   GLU 467           HA       GLU 467   0.458  -2.466  -5.423
  113   1HB   GLU 467          2HB       GLU 467   1.069  -3.338  -7.575
  114   2HB   GLU 467          1HB       GLU 467  -0.024  -4.486  -6.820
  115   1HG   GLU 467          2HG       GLU 467  -1.746  -2.908  -8.228
  116   2HG   GLU 467          1HG       GLU 467  -0.326  -2.935  -9.272
  117    H    ARG 468           H        ARG 468   0.856  -0.329  -5.421
  118    HA   ARG 468           HA       ARG 468  -0.273   1.275  -7.621
  119   1HB   ARG 468          2HB       ARG 468   0.396   2.205  -4.824
  120   2HB   ARG 468          1HB       ARG 468  -0.225   3.217  -6.119
  121   1HG   ARG 468          2HG       ARG 468  -1.954   0.972  -5.768
  122   2HG   ARG 468          1HG       ARG 468  -1.678   1.754  -4.211
  123   1HD   ARG 468          2HD       ARG 468  -3.630   2.630  -5.543
  124   2HD   ARG 468          1HD       ARG 468  -2.460   3.839  -5.015
  125    HE   ARG 468           HE       ARG 468  -1.626   3.135  -7.515
  126   1HH1  ARG 468          1HH1      ARG 468  -4.609   4.316  -6.161
  127   2HH1  ARG 468          2HH1      ARG 468  -5.088   5.145  -7.604
  128   1HH2  ARG 468          1HH2      ARG 468  -2.245   4.224  -9.422
  129   2HH2  ARG 468          2HH2      ARG 468  -3.743   5.093  -9.459
  130    H    THR 469           H        THR 469   1.071   2.573  -8.774
  131    HA   THR 469           HA       THR 469   3.882   2.036  -8.602
  132    HB   THR 469           HB       THR 469   2.730   2.329 -10.776
  133    HG1  THR 469           1HG      THR 469   4.903   4.008 -10.068
  134   1HG2  THR 469          1HG2      THR 469   1.667   4.609  -9.582
  135   2HG2  THR 469          2HG2      THR 469   1.502   4.129 -11.271
  136   3HG2  THR 469          3HG2      THR 469   2.797   5.224 -10.788
  137    H    HIS 470           H        HIS 470   5.419   3.189  -7.645
  138    HA   HIS 470           HA       HIS 470   4.718   5.487  -6.069
  139   1HB   HIS 470          2HB       HIS 470   6.404   3.642  -5.469
  140   2HB   HIS 470          1HB       HIS 470   7.514   4.473  -6.554
  141    HD2  HIS 470           2HD      HIS 470   8.788   6.627  -5.512
  142    HE1  HIS 470           1HE      HIS 470   6.647   6.724  -1.862
  143    HE2  HIS 470           2HE      HIS 470   8.692   7.570  -3.097
  144    H    THR 471           H        THR 471   6.129   7.472  -6.132
  145    HA   THR 471           HA       THR 471   5.875   8.785  -8.575
  146    HB   THR 471           HB       THR 471   7.935   9.614  -6.547
  147    HG1  THR 471           1HG      THR 471   6.336  10.325  -5.214
  148   1HG2  THR 471          1HG2      THR 471   7.359  11.829  -7.208
  149   2HG2  THR 471          2HG2      THR 471   5.946  11.264  -8.100
  150   3HG2  THR 471          3HG2      THR 471   7.568  10.894  -8.688
  151    H    ASP 472           H        ASP 472   8.376   6.708  -7.414
  152    HA   ASP 472           HA       ASP 472  10.305   7.609  -9.392
  153   1HB   ASP 472          2HB       ASP 472  10.353   5.768  -7.053
  154   2HB   ASP 472          1HB       ASP 472  11.505   5.461  -8.350
  155    H    GLY 473           H        GLY 473   7.735   5.398  -9.252
  156   1HA   GLY 473          2HA       GLY 473   7.072   4.350 -11.333
  157   2HA   GLY 473          1HA       GLY 473   8.772   4.055 -11.663
  158    H    ARG 474           H        ARG 474   8.964   3.300  -8.666
  159    HA   ARG 474           HA       ARG 474   8.589   0.485  -9.098
  160   1HB   ARG 474          2HB       ARG 474   9.485   2.063  -6.682
  161   2HB   ARG 474          1HB       ARG 474   9.411   0.307  -6.726
  162   1HG   ARG 474          2HG       ARG 474  10.973   0.403  -8.697
  163   2HG   ARG 474          1HG       ARG 474  11.179   2.118  -8.344
  164   1HD   ARG 474          2HD       ARG 474  12.434   1.726  -6.507
  165   2HD   ARG 474          1HD       ARG 474  11.516   0.289  -6.059
  166    HE   ARG 474           HE       ARG 474  12.854  -0.555  -8.225
  167   1HH1  ARG 474          1HH1      ARG 474  13.892   1.141  -5.363
  168   2HH1  ARG 474          2HH1      ARG 474  15.486   0.464  -5.385
  169   1HH2  ARG 474          1HH2      ARG 474  14.949  -1.456  -8.256
  170   2HH2  ARG 474          2HH2      ARG 474  16.087  -1.012  -7.027
  171    H    VAL 475           H        VAL 475   6.798  -0.631  -8.717
  172    HA   VAL 475           HA       VAL 475   4.535   0.617  -7.458
  173    HB   VAL 475           HB       VAL 475   4.306  -0.858  -9.426
  174   1HG1  VAL 475          1HG1      VAL 475   6.085  -2.468  -8.582
  175   2HG1  VAL 475          2HG1      VAL 475   4.677  -3.184  -9.358
  176   3HG1  VAL 475          3HG1      VAL 475   4.822  -3.203  -7.598
  177   1HG2  VAL 475          1HG2      VAL 475   2.343  -2.170  -8.503
  178   2HG2  VAL 475          2HG2      VAL 475   2.349  -0.448  -8.145
  179   3HG2  VAL 475          3HG2      VAL 475   2.821  -1.600  -6.899
  180    H    PHE 476           H        PHE 476   4.363   0.736  -5.329
  181    HA   PHE 476           HA       PHE 476   5.561  -1.306  -3.631
  182   1HB   PHE 476          2HB       PHE 476   5.006   0.216  -1.775
  183   2HB   PHE 476          1HB       PHE 476   5.936   1.031  -3.027
  184    HD1  PHE 476           1HD      PHE 476   2.624   0.694  -1.481
  185    HD2  PHE 476           2HD      PHE 476   5.000   2.816  -4.303
  186    HE1  PHE 476           1HE      PHE 476   0.886   2.432  -1.633
  187    HE2  PHE 476           2HE      PHE 476   3.268   4.557  -4.459
  188    HZ   PHE 476           HZ       PHE 476   1.208   4.365  -3.123
  189    H    PHE 477           H        PHE 477   4.137  -1.699  -1.540
  190    HA   PHE 477           HA       PHE 477   1.537  -2.680  -2.510
  191   1HB   PHE 477          2HB       PHE 477   3.177  -3.644  -0.161
  192   2HB   PHE 477          1HB       PHE 477   1.674  -4.355  -0.732
  193    HD1  PHE 477           1HD      PHE 477   5.164  -3.625  -1.758
  194    HD2  PHE 477           2HD      PHE 477   1.699  -6.026  -2.348
  195    HE1  PHE 477           1HE      PHE 477   6.442  -5.094  -3.264
  196    HE2  PHE 477           2HE      PHE 477   2.972  -7.499  -3.854
  197    HZ   PHE 477           HZ       PHE 477   5.346  -7.033  -4.313
  198    H    ILE 478           H        ILE 478  -0.325  -2.428  -1.214
  199    HA   ILE 478           HA       ILE 478  -0.117  -0.797   1.192
  200    HB   ILE 478           HB       ILE 478  -0.323   0.890  -0.534
  201   1HG1  ILE 478          2HG1      ILE 478  -2.798   0.417   1.114
  202   2HG1  ILE 478          1HG1      ILE 478  -1.476   1.525   1.426
  203   1HG2  ILE 478          1HG2      ILE 478  -2.261   0.975  -2.037
  204   2HG2  ILE 478          2HG2      ILE 478  -2.763  -0.606  -1.440
  205   3HG2  ILE 478          3HG2      ILE 478  -1.240  -0.435  -2.313
  206   1HD1  ILE 478          1HD1      ILE 478  -3.935   1.963  -0.005
  207   2HD1  ILE 478          2HD1      ILE 478  -2.540   2.375  -1.003
  208   3HD1  ILE 478          3HD1      ILE 478  -2.748   3.132   0.577
  209    H    ASN 479           H        ASN 479  -1.472  -1.565   2.693
  210    HA   ASN 479           HA       ASN 479  -3.596  -3.380   1.838
  211   1HB   ASN 479          2HB       ASN 479  -3.598  -4.258   4.040
  212   2HB   ASN 479          1HB       ASN 479  -1.906  -4.021   3.622
  213   1HD2  ASN 479          1HD2      ASN 479  -2.744  -4.290   6.226
  214   2HD2  ASN 479          2HD2      ASN 479  -2.518  -2.794   7.058
  215    H    HIS 480           H        HIS 480  -5.751  -3.173   2.551
  216    HA   HIS 480           HA       HIS 480  -6.492  -0.402   3.185
  217   1HB   HIS 480          2HB       HIS 480  -8.194  -2.585   1.971
  218   2HB   HIS 480          1HB       HIS 480  -8.654  -0.898   2.180
  219    HD2  HIS 480           2HD      HIS 480  -5.597   0.113   0.994
  220    HE1  HIS 480           1HE      HIS 480  -7.237  -1.550  -2.536
  221    HE2  HIS 480           2HE      HIS 480  -5.555   0.102  -1.600
  222    H    ASN 481           H        ASN 481  -6.130  -3.274   4.783
  223    HA   ASN 481           HA       ASN 481  -8.516  -3.460   6.279
  224   1HB   ASN 481          2HB       ASN 481  -5.854  -4.242   7.422
  225   2HB   ASN 481          1HB       ASN 481  -7.417  -5.029   7.611
  226   1HD2  ASN 481          1HD2      ASN 481  -4.618  -4.654   5.632
  227   2HD2  ASN 481          2HD2      ASN 481  -4.954  -5.945   4.536
  228    H    ILE 482           H        ILE 482  -5.427  -1.844   6.931
  229    HA   ILE 482           HA       ILE 482  -6.810  -0.198   8.941
  230    HB   ILE 482           HB       ILE 482  -4.531  -0.085  10.109
  231   1HG1  ILE 482          2HG1      ILE 482  -4.156  -2.590   8.452
  232   2HG1  ILE 482          1HG1      ILE 482  -3.192  -1.119   8.358
  233   1HG2  ILE 482          1HG2      ILE 482  -5.232  -1.658  11.607
  234   2HG2  ILE 482          2HG2      ILE 482  -5.637  -2.832  10.354
  235   3HG2  ILE 482          3HG2      ILE 482  -6.712  -1.469  10.665
  236   1HD1  ILE 482          1HD1      ILE 482  -3.123  -1.975  11.040
  237   2HD1  ILE 482          2HD1      ILE 482  -1.813  -1.967   9.859
  238   3HD1  ILE 482          3HD1      ILE 482  -2.839  -3.392  10.029
  239    H    LYS 483           H        LYS 483  -6.101   0.192   6.063
  240    HA   LYS 483           HA       LYS 483  -5.167   1.747   4.676
  241   1HB   LYS 483          2HB       LYS 483  -5.515   3.565   7.060
  242   2HB   LYS 483          1HB       LYS 483  -5.507   4.027   5.363
  243   1HG   LYS 483          2HG       LYS 483  -7.758   4.057   5.979
  244   2HG   LYS 483          1HG       LYS 483  -7.554   2.533   5.114
  245   1HD   LYS 483          2HD       LYS 483  -7.705   1.264   7.048
  246   2HD   LYS 483          1HD       LYS 483  -7.246   2.613   8.088
  247   1HE   LYS 483          2HE       LYS 483  -9.510   2.413   8.507
  248   2HE   LYS 483          1HE       LYS 483  -9.468   3.668   7.269
  249   1HZ   LYS 483          1HZ       LYS 483 -10.484   2.351   5.782
  250   2HZ   LYS 483          2HZ       LYS 483 -11.015   1.498   7.142
  251   3HZ   LYS 483          3HZ       LYS 483  -9.668   0.953   6.276
  252    H    LYS 484           H        LYS 484  -3.090   0.665   4.740
  253    HA   LYS 484           HA       LYS 484  -1.003   2.466   5.649
  254   1HB   LYS 484          2HB       LYS 484  -1.680   0.285   7.233
  255   2HB   LYS 484          1HB       LYS 484  -0.289  -0.279   6.316
  256   1HG   LYS 484          2HG       LYS 484   1.141   1.112   7.368
  257   2HG   LYS 484          1HG       LYS 484  -0.051   2.405   7.513
  258   1HD   LYS 484          2HD       LYS 484  -0.416   1.829   9.628
  259   2HD   LYS 484          1HD       LYS 484  -0.931   0.225   9.102
  260   1HE   LYS 484          2HE       LYS 484   1.017  -0.731   9.693
  261   2HE   LYS 484          1HE       LYS 484   1.974   0.636   9.125
  262   1HZ   LYS 484          1HZ       LYS 484   2.304   0.811  11.354
  263   2HZ   LYS 484          2HZ       LYS 484   0.798   0.157  11.760
  264   3HZ   LYS 484          3HZ       LYS 484   0.907   1.759  11.228
  265    H    THR 485           H        THR 485   1.150   1.804   4.805
  266    HA   THR 485           HA       THR 485   1.071  -0.008   2.515
  267    HB   THR 485           HB       THR 485   0.575   1.959   1.335
  268    HG1  THR 485           1HG      THR 485   2.470   2.320   0.160
  269   1HG2  THR 485          1HG2      THR 485   2.725   3.477   2.800
  270   2HG2  THR 485          2HG2      THR 485   1.047   3.447   3.340
  271   3HG2  THR 485          3HG2      THR 485   1.452   4.116   1.759
  272    H    GLN 486           H        GLN 486   3.299  -0.359   1.606
  273    HA   GLN 486           HA       GLN 486   5.536   0.392   3.260
  274   1HB   GLN 486          2HB       GLN 486   6.115  -2.101   3.594
  275   2HB   GLN 486          1HB       GLN 486   4.916  -1.373   4.657
  276   1HG   GLN 486          2HG       GLN 486   3.145  -2.446   3.597
  277   2HG   GLN 486          1HG       GLN 486   4.105  -2.797   2.160
  278   1HE2  GLN 486          1HE2      GLN 486   5.733  -4.405   2.301
  279   2HE2  GLN 486          2HE2      GLN 486   5.591  -5.688   3.445
  280    H    TRP 487           H        TRP 487   7.536  -0.031   2.300
  281    HA   TRP 487           HA       TRP 487   7.500  -0.221  -0.546
  282   1HB   TRP 487          2HB       TRP 487   9.521   0.261   1.559
  283   2HB   TRP 487          1HB       TRP 487  10.129  -0.458   0.072
  284    HD1  TRP 487           HD       TRP 487   9.811   2.790   1.522
  285    HE1  TRP 487           1HE      TRP 487   9.665   4.649  -0.253
  286    HE3  TRP 487           3HE      TRP 487   8.718  -0.078  -2.565
  287    HZ2  TRP 487           2HZ      TRP 487   9.154   4.868  -3.021
  288    HZ3  TRP 487           3HZ      TRP 487   8.415   1.034  -4.740
  289    HH2  TRP 487           HH       TRP 487   8.629   3.455  -4.960
  290    H    GLU 488           H        GLU 488   8.464  -2.389   2.071
  291    HA   GLU 488           HA       GLU 488   9.638  -4.397   0.510
  292   1HB   GLU 488          2HB       GLU 488   8.722  -4.089   3.257
  293   2HB   GLU 488          1HB       GLU 488   8.480  -5.724   2.657
  294   1HG   GLU 488          2HG       GLU 488  11.088  -4.778   1.923
  295   2HG   GLU 488          1HG       GLU 488  10.832  -4.598   3.659
  296    H    ASP 489           H        ASP 489   8.666  -6.701   0.466
  297    HA   ASP 489           HA       ASP 489   5.987  -6.490  -0.728
  298   1HB   ASP 489          2HB       ASP 489   7.837  -8.816  -1.160
  299   2HB   ASP 489          1HB       ASP 489   6.540  -8.227  -2.194
  300    HA   PRO 490           HA       PRO 490   4.902  -8.804   3.028
  301   1HB   PRO 490          2HB       PRO 490   2.207  -8.597   2.664
  302   2HB   PRO 490          1HB       PRO 490   3.190  -7.324   3.394
  303   1HG   PRO 490          2HG       PRO 490   2.192  -7.568   0.583
  304   2HG   PRO 490          1HG       PRO 490   2.240  -6.140   1.633
  305   1HD   PRO 490          2HD       PRO 490   4.074  -6.564  -0.299
  306   2HD   PRO 490          1HD       PRO 490   4.484  -5.768   1.234
  307    H    ARG 491           H        ARG 491   3.477  -9.248  -0.185
  308    HA   ARG 491           HA       ARG 491   2.551 -11.899   0.351
  309   1HB   ARG 491          2HB       ARG 491   2.234 -11.970  -2.156
  310   2HB   ARG 491          1HB       ARG 491   1.377 -10.685  -1.316
  311   1HG   ARG 491          2HG       ARG 491   2.666  -9.035  -2.224
  312   2HG   ARG 491          1HG       ARG 491   4.068 -10.089  -2.419
  313   1HD   ARG 491          2HD       ARG 491   1.581  -9.984  -4.110
  314   2HD   ARG 491          1HD       ARG 491   3.239  -9.626  -4.596
  315    HE   ARG 491           HE       ARG 491   2.000 -12.186  -4.516
  316   1HH1  ARG 491          1HH1      ARG 491   5.039 -10.547  -4.069
  317   2HH1  ARG 491          2HH1      ARG 491   5.995 -11.936  -4.462
  318   1HH2  ARG 491          1HH2      ARG 491   3.248 -14.024  -5.030
  319   2HH2  ARG 491          2HH2      ARG 491   4.976 -13.915  -5.010
  320    H    MET 492           H        MET 492   5.539 -10.519  -0.690
  321    HA   MET 492           HA       MET 492   6.552 -12.985  -1.819
  322   1HB   MET 492          2HB       MET 492   7.164 -10.364  -2.243
  323   2HB   MET 492          1HB       MET 492   8.468 -10.844  -1.166
  324   1HG   MET 492          2HG       MET 492   9.459 -12.119  -2.718
  325   2HG   MET 492          1HG       MET 492   7.928 -12.712  -3.359
  326   1HE   MET 492          1HE       MET 492   7.763 -12.544  -5.703
  327   2HE   MET 492          2HE       MET 492   9.521 -12.450  -5.810
  328   3HE   MET 492          3HE       MET 492   8.519 -11.339  -6.743
  329    H    GLN 493           H        GLN 493   6.630 -11.291   1.217
  330    HA   GLN 493           HA       GLN 493   8.691 -13.075   2.271
  331   1HB   GLN 493          2HB       GLN 493   8.912 -10.708   2.806
  332   2HB   GLN 493          1HB       GLN 493   7.299 -10.691   3.506
  333   1HG   GLN 493          2HG       GLN 493   7.954 -11.840   5.388
  334   2HG   GLN 493          1HG       GLN 493   9.352 -12.558   4.590
  335   1HE2  GLN 493          1HE2      GLN 493  11.059 -10.980   3.925
  336   2HE2  GLN 493          2HE2      GLN 493  11.422  -9.699   5.027
  337    H    ASN 494           H        ASN 494   6.953 -14.808   1.852
  338    HA   ASN 494           HA       ASN 494   4.790 -14.955   3.730
  339   1HB   ASN 494          2HB       ASN 494   5.778 -16.531   1.466
  340   2HB   ASN 494          1HB       ASN 494   5.121 -17.515   2.771
  341   1HD2  ASN 494          1HD2      ASN 494   4.422 -15.549   0.116
  342   2HD2  ASN 494          2HD2      ASN 494   2.706 -15.490   0.300
  343    H    VAL 495           H        VAL 495   7.591 -17.111   3.239
  344    HA   VAL 495           HA       VAL 495   8.834 -18.347   4.689
  345    HB   VAL 495           HB       VAL 495   7.999 -16.470   6.888
  346   1HG1  VAL 495          1HG1      VAL 495   9.601 -17.466   8.058
  347   2HG1  VAL 495          2HG1      VAL 495  10.780 -17.174   6.778
  348   3HG1  VAL 495          3HG1      VAL 495   9.781 -18.627   6.742
  349   1HG2  VAL 495          1HG2      VAL 495   8.574 -15.039   5.049
  350   2HG2  VAL 495          2HG2      VAL 495  10.023 -15.983   4.707
  351   3HG2  VAL 495          3HG2      VAL 495   9.917 -15.040   6.192
  352    H    ALA 496           H        ALA 496   5.991 -18.945   4.332
  353    HA   ALA 496           HA       ALA 496   5.733 -20.935   6.343
  354   1HB   ALA 496          1HB       ALA 496   4.145 -18.426   6.632
  355   2HB   ALA 496          2HB       ALA 496   4.918 -19.418   7.868
  356   3HB   ALA 496          3HB       ALA 496   3.428 -19.967   7.102
  357    H    ILE 497           H        ILE 497   4.955 -22.579   5.218
  358    HA   ILE 497           HA       ILE 497   3.389 -22.142   2.825
  359    HB   ILE 497           HB       ILE 497   3.706 -24.909   3.855
  360   1HG1  ILE 497          2HG1      ILE 497   5.888 -24.091   4.455
  361   2HG1  ILE 497          1HG1      ILE 497   6.053 -25.004   2.958
  362   1HG2  ILE 497          1HG2      ILE 497   4.581 -24.893   1.301
  363   2HG2  ILE 497          2HG2      ILE 497   3.517 -23.486   1.291
  364   3HG2  ILE 497          3HG2      ILE 497   2.888 -25.063   1.769
  365   1HD1  ILE 497          1HD1      ILE 497   7.348 -23.135   2.556
  366   2HD1  ILE 497          2HD1      ILE 497   6.242 -22.059   3.411
  367   3HD1  ILE 497          3HD1      ILE 497   5.808 -22.684   1.821
  368    H    THR 498           H        THR 498   1.505 -23.877   2.551
  369    HA   THR 498           HA       THR 498  -0.329 -23.374   4.784
  370    HB   THR 498           HB       THR 498  -1.036 -22.564   2.557
  371    HG1  THR 498           1HG      THR 498  -3.126 -23.560   2.667
  372   1HG2  THR 498          1HG2      THR 498  -0.081 -24.120   1.050
  373   2HG2  THR 498          2HG2      THR 498  -1.825 -24.356   0.935
  374   3HG2  THR 498          3HG2      THR 498  -0.841 -25.488   1.862
  375    H    GLY 499           H        GLY 499  -1.559 -25.017   5.704
  376   1HA   GLY 499          2HA       GLY 499  -2.183 -27.488   5.195
  377   2HA   GLY 499          1HA       GLY 499  -0.443 -27.706   5.315
  378   1H    GLY 605          1HT       GLY 605  24.392  11.464   3.658
  379   2H    GLY 605          2HT       GLY 605  23.153  12.399   2.985
  380   3H    GLY 605          3HT       GLY 605  24.469  11.928   2.032
  381   1HA   GLY 605          1HA       GLY 605  23.543   9.554   2.932
  382   2HA   GLY 605          2HA       GLY 605  22.070  10.486   2.708
  383    H    SER 606           H        SER 606  24.917   9.186   1.118
  384    HA   SER 606           HA       SER 606  23.918   9.926  -1.510
  385   1HB   SER 606          2HB       SER 606  26.410   8.470  -0.608
  386   2HB   SER 606          1HB       SER 606  26.006   8.748  -2.302
  387    HG   SER 606           HG       SER 606  25.828  11.063  -1.539
  388    H    THR 607           H        THR 607  24.142   7.128   0.565
  389    HA   THR 607           HA       THR 607  23.243   5.329  -1.545
  390    HB   THR 607           HB       THR 607  23.355   4.325   1.230
  391    HG1  THR 607           1HG      THR 607  25.613   4.389   1.304
  392   1HG2  THR 607          1HG2      THR 607  23.474   3.302  -1.392
  393   2HG2  THR 607          2HG2      THR 607  23.586   2.405   0.122
  394   3HG2  THR 607          3HG2      THR 607  25.051   2.994  -0.664
  395    H    LEU 608           H        LEU 608  22.173   5.905   1.811
  396    HA   LEU 608           HA       LEU 608  20.111   5.752   2.776
  397   1HB   LEU 608          2HB       LEU 608  19.904   7.913   1.682
  398   2HB   LEU 608          1HB       LEU 608  19.384   7.139   0.197
  399    HG   LEU 608           HG       LEU 608  17.546   6.220   2.035
  400   1HD1  LEU 608          1HD1      LEU 608  18.762   8.381   3.276
  401   2HD1  LEU 608          2HD1      LEU 608  17.204   7.664   3.689
  402   3HD1  LEU 608          3HD1      LEU 608  17.277   9.044   2.594
  403   1HD2  LEU 608          1HD2      LEU 608  17.225   7.059  -0.305
  404   2HD2  LEU 608          2HD2      LEU 608  17.241   8.698   0.350
  405   3HD2  LEU 608          3HD2      LEU 608  15.983   7.563   0.842
  406    HA   PRO 609           HA       PRO 609  18.940   2.049   0.130
  407   1HB   PRO 609          2HB       PRO 609  19.348   0.182   2.064
  408   2HB   PRO 609          1HB       PRO 609  20.617   0.713   0.954
  409   1HG   PRO 609          2HG       PRO 609  20.088   1.565   3.776
  410   2HG   PRO 609          1HG       PRO 609  21.634   1.187   2.993
  411   1HD   PRO 609          2HD       PRO 609  20.791   3.727   3.380
  412   2HD   PRO 609          1HD       PRO 609  21.769   3.255   1.976
  413    H    ILE 610           H        ILE 610  18.245   2.919   3.482
  414    HA   ILE 610           HA       ILE 610  15.453   2.096   3.039
  415    HB   ILE 610           HB       ILE 610  16.923   1.850   5.665
  416   1HG1  ILE 610          2HG1      ILE 610  16.034  -0.345   3.783
  417   2HG1  ILE 610          1HG1      ILE 610  17.694   0.221   3.939
  418   1HG2  ILE 610          1HG2      ILE 610  14.230   0.737   4.919
  419   2HG2  ILE 610          2HG2      ILE 610  14.440   2.307   5.694
  420   3HG2  ILE 610          3HG2      ILE 610  14.962   0.839   6.520
  421   1HD1  ILE 610          1HD1      ILE 610  17.181  -1.868   5.185
  422   2HD1  ILE 610          2HD1      ILE 610  16.099  -0.928   6.212
  423   3HD1  ILE 610          3HD1      ILE 610  17.825  -0.564   6.182
  424    HA   PRO 611           HA       PRO 611  15.335   6.616   3.838
  425   1HB   PRO 611          2HB       PRO 611  12.507   5.992   3.138
  426   2HB   PRO 611          1HB       PRO 611  13.545   7.302   2.566
  427   1HG   PRO 611          2HG       PRO 611  13.014   5.210   1.006
  428   2HG   PRO 611          1HG       PRO 611  14.626   5.950   1.023
  429   1HD   PRO 611          2HD       PRO 611  13.694   3.402   2.267
  430   2HD   PRO 611          1HD       PRO 611  15.258   3.791   1.525
  431    H    GLY 612           H        GLY 612  12.493   4.599   4.648
  432   1HA   GLY 612          2HA       GLY 612  12.414   4.163   7.186
  433   2HA   GLY 612          1HA       GLY 612  12.429   5.918   7.279
  434    H    THR 613           H        THR 613  10.680   6.951   5.794
  435    HA   THR 613           HA       THR 613   8.160   5.947   6.717
  436    HB   THR 613           HB       THR 613   7.180   7.882   5.544
  437    HG1  THR 613           1HG      THR 613   8.952   7.773   3.856
  438   1HG2  THR 613          1HG2      THR 613   8.766   7.922   7.773
  439   2HG2  THR 613          2HG2      THR 613   7.780   9.271   7.208
  440   3HG2  THR 613          3HG2      THR 613   9.491   9.190   6.785
  441    HA   PRO 614           HA       PRO 614   7.210   3.449   3.169
  442   1HB   PRO 614          2HB       PRO 614   4.547   3.172   3.541
  443   2HB   PRO 614          1HB       PRO 614   5.736   2.351   4.560
  444   1HG   PRO 614          2HG       PRO 614   4.204   4.869   5.094
  445   2HG   PRO 614          1HG       PRO 614   4.517   3.501   6.178
  446   1HD   PRO 614          2HD       PRO 614   5.945   5.802   6.281
  447   2HD   PRO 614          1HD       PRO 614   6.650   4.221   6.676
  448    HA   PRO 615           HA       PRO 615   5.824   5.816  -0.275
  449   1HB   PRO 615          2HB       PRO 615   3.634   3.829  -0.675
  450   2HB   PRO 615          1HB       PRO 615   4.832   4.429  -1.826
  451   1HG   PRO 615          2HG       PRO 615   5.083   2.008  -0.756
  452   2HG   PRO 615          1HG       PRO 615   6.504   3.039  -1.013
  453   1HD   PRO 615          2HD       PRO 615   5.056   2.399   1.516
  454   2HD   PRO 615          1HD       PRO 615   6.789   2.669   1.243
  455    HA   PRO 616           HA       PRO 616   2.281   8.413   0.260
  456   1HB   PRO 616          2HB       PRO 616   0.734   7.008  -1.870
  457   2HB   PRO 616          1HB       PRO 616   1.059   8.734  -1.667
  458   1HG   PRO 616          2HG       PRO 616   2.378   7.322  -3.491
  459   2HG   PRO 616          1HG       PRO 616   3.206   8.565  -2.535
  460   1HD   PRO 616          2HD       PRO 616   3.310   5.594  -2.279
  461   2HD   PRO 616          1HD       PRO 616   4.592   6.796  -2.025
  462    H    ASN 617           H        ASN 617   1.061   8.213   2.014
  463    HA   ASN 617           HA       ASN 617  -0.056   5.821   2.951
  464   1HB   ASN 617          2HB       ASN 617   0.321   8.360   3.971
  465   2HB   ASN 617          1HB       ASN 617  -1.433   8.227   3.886
  466   1HD2  ASN 617          1HD2      ASN 617   1.117   5.868   4.583
  467   2HD2  ASN 617          2HD2      ASN 617   0.493   5.389   6.121
  468    H    TYR 618           H        TYR 618  -2.250   5.165   3.142
  469    HA   TYR 618           HA       TYR 618  -3.740   5.365   0.770
  470   1HB   TYR 618          2HB       TYR 618  -3.933   3.442   2.256
  471   2HB   TYR 618          1HB       TYR 618  -4.601   4.460   3.527
  472    HD1  TYR 618           1HD      TYR 618  -5.283   3.460  -0.010
  473    HD2  TYR 618           2HD      TYR 618  -6.899   4.566   3.769
  474    HE1  TYR 618           1HE      TYR 618  -7.549   3.009  -0.853
  475    HE2  TYR 618           2HE      TYR 618  -9.169   4.118   2.935
  476    HH   TYR 618           HH       TYR 618 -10.366   3.952   0.855
  477    H    ASP 619           H        ASP 619  -3.889   7.129   3.797
  478    HA   ASP 619           HA       ASP 619  -6.375   8.403   3.359
  479   1HB   ASP 619          2HB       ASP 619  -5.632   9.988   5.103
  480   2HB   ASP 619          1HB       ASP 619  -5.365   8.313   5.577
  481    H    SER 620           H        SER 620  -3.165   8.997   2.194
  482    HA   SER 620           HA       SER 620  -3.889  11.637   1.178
  483   1HB   SER 620          2HB       SER 620  -1.494  10.549   2.119
  484   2HB   SER 620          1HB       SER 620  -1.264  10.688   0.376
  485    HG   SER 620           HG       SER 620  -2.288  12.812   1.938
  486    H    LEU 621           H        LEU 621  -3.566   8.366   0.132
  487    HA   LEU 621           HA       LEU 621  -3.179   8.902  -2.643
  488   1HB   LEU 621          2HB       LEU 621  -3.790   6.524  -0.977
  489   2HB   LEU 621          1HB       LEU 621  -4.239   6.438  -2.670
  490    HG   LEU 621           HG       LEU 621  -1.454   7.069  -1.693
  491   1HD1  LEU 621          1HD1      LEU 621  -1.809   4.534  -3.045
  492   2HD1  LEU 621          2HD1      LEU 621  -2.752   4.623  -1.556
  493   3HD1  LEU 621          3HD1      LEU 621  -1.010   4.897  -1.514
  494   1HD2  LEU 621          1HD2      LEU 621  -1.875   6.000  -4.384
  495   2HD2  LEU 621          2HD2      LEU 621  -0.856   7.331  -3.836
  496   3HD2  LEU 621          3HD2      LEU 621  -2.576   7.598  -4.124
  Start of MODEL    7
    1   1H    GLY 450          1HT       GLY 450   2.557 -24.767  -8.810
    2   2H    GLY 450          2HT       GLY 450   3.515 -26.071  -9.304
    3   3H    GLY 450          3HT       GLY 450   4.208 -24.542  -9.106
    4   1HA   GLY 450          1HA       GLY 450   4.864 -25.653  -7.196
    5   2HA   GLY 450          2HA       GLY 450   3.479 -24.697  -6.691
    6    H    SER 451           H        SER 451   3.681 -26.447  -4.954
    7    HA   SER 451           HA       SER 451   2.032 -28.754  -5.756
    8   1HB   SER 451          2HB       SER 451   3.142 -30.087  -4.051
    9   2HB   SER 451          1HB       SER 451   4.351 -29.397  -5.134
   10    HG   SER 451           HG       SER 451   4.998 -28.037  -3.579
   11    HA   PRO 452           HA       PRO 452  -1.064 -27.692  -2.823
   12   1HB   PRO 452          2HB       PRO 452  -0.880 -30.410  -1.653
   13   2HB   PRO 452          1HB       PRO 452  -2.264 -29.590  -2.383
   14   1HG   PRO 452          2HG       PRO 452  -1.001 -31.557  -3.669
   15   2HG   PRO 452          1HG       PRO 452  -1.624 -30.143  -4.540
   16   1HD   PRO 452          2HD       PRO 452   1.183 -30.786  -3.725
   17   2HD   PRO 452          1HD       PRO 452   0.586 -30.051  -5.228
   18    H    VAL 453           H        VAL 453   1.343 -29.837  -1.288
   19    HA   VAL 453           HA       VAL 453   1.007 -28.570   1.270
   20    HB   VAL 453           HB       VAL 453   1.541 -30.945   1.164
   21   1HG1  VAL 453          1HG1      VAL 453   4.351 -30.644   0.451
   22   2HG1  VAL 453          2HG1      VAL 453   3.247 -30.263  -0.869
   23   3HG1  VAL 453          3HG1      VAL 453   3.168 -31.838  -0.080
   24   1HG2  VAL 453          1HG2      VAL 453   3.746 -30.819   2.580
   25   2HG2  VAL 453          2HG2      VAL 453   2.237 -30.156   3.208
   26   3HG2  VAL 453          3HG2      VAL 453   3.448 -29.082   2.505
   27    H    ASP 454           H        ASP 454   1.961 -26.733   1.877
   28    HA   ASP 454           HA       ASP 454   3.500 -25.076   2.132
   29   1HB   ASP 454          2HB       ASP 454   5.072 -27.407   1.517
   30   2HB   ASP 454          1HB       ASP 454   5.801 -25.986   0.773
   31    H    SER 455           H        SER 455   2.537 -23.563   0.842
   32    HA   SER 455           HA       SER 455   3.919 -22.820  -1.537
   33   1HB   SER 455          2HB       SER 455   2.320 -23.222  -3.195
   34   2HB   SER 455          1HB       SER 455   2.242 -24.692  -2.224
   35    HG   SER 455           HG       SER 455   0.462 -23.646  -1.094
   36    H    ASN 456           H        ASN 456   1.802 -21.257  -2.681
   37    HA   ASN 456           HA       ASN 456   0.506 -19.666  -0.733
   38   1HB   ASN 456          2HB       ASN 456   3.263 -19.067  -1.155
   39   2HB   ASN 456          1HB       ASN 456   2.308 -17.754  -1.836
   40   1HD2  ASN 456          1HD2      ASN 456   3.811 -18.781   0.870
   41   2HD2  ASN 456          2HD2      ASN 456   2.915 -17.908   2.060
   42    H    ASP 457           H        ASP 457  -1.264 -19.689  -2.042
   43    HA   ASP 457           HA       ASP 457  -1.015 -18.825  -4.815
   44   1HB   ASP 457          2HB       ASP 457  -3.160 -20.130  -3.189
   45   2HB   ASP 457          1HB       ASP 457  -3.613 -19.250  -4.646
   46    H    LEU 458           H        LEU 458  -0.330 -16.650  -3.985
   47    HA   LEU 458           HA       LEU 458  -2.407 -14.992  -2.846
   48   1HB   LEU 458          2HB       LEU 458  -0.759 -13.201  -2.944
   49   2HB   LEU 458          1HB       LEU 458  -0.086 -14.633  -2.189
   50    HG   LEU 458           HG       LEU 458   0.754 -15.086  -4.676
   51   1HD1  LEU 458          1HD1      LEU 458  -0.439 -12.740  -5.140
   52   2HD1  LEU 458          2HD1      LEU 458   0.989 -13.286  -6.021
   53   3HD1  LEU 458          3HD1      LEU 458   1.159 -12.164  -4.673
   54   1HD2  LEU 458          1HD2      LEU 458   1.872 -14.083  -2.273
   55   2HD2  LEU 458          2HD2      LEU 458   2.585 -13.188  -3.616
   56   3HD2  LEU 458          3HD2      LEU 458   2.678 -14.949  -3.582
   57    H    GLY 459           H        GLY 459  -0.787 -15.383  -5.966
   58   1HA   GLY 459          2HA       GLY 459  -1.362 -14.670  -8.068
   59   2HA   GLY 459          1HA       GLY 459  -3.005 -14.522  -7.463
   60    HA   PRO 460           HA       PRO 460  -2.239 -10.162  -8.111
   61   1HB   PRO 460          2HB       PRO 460  -4.682  -9.243  -7.512
   62   2HB   PRO 460          1HB       PRO 460  -4.388 -10.172  -8.988
   63   1HG   PRO 460          2HG       PRO 460  -5.567 -11.067  -6.388
   64   2HG   PRO 460          1HG       PRO 460  -6.076 -11.458  -8.040
   65   1HD   PRO 460          2HD       PRO 460  -4.541 -13.108  -6.463
   66   2HD   PRO 460          1HD       PRO 460  -4.545 -13.144  -8.238
   67    H    LEU 461           H        LEU 461  -0.847 -10.604  -6.041
   68    HA   LEU 461           HA       LEU 461  -0.135  -9.858  -4.012
   69   1HB   LEU 461          2HB       LEU 461  -2.298  -7.845  -3.771
   70   2HB   LEU 461          1HB       LEU 461  -0.578  -7.682  -3.478
   71    HG   LEU 461           HG       LEU 461  -1.976  -7.633  -6.150
   72   1HD1  LEU 461          1HD1      LEU 461  -1.876  -5.608  -4.515
   73   2HD1  LEU 461          2HD1      LEU 461  -1.513  -5.382  -6.227
   74   3HD1  LEU 461          3HD1      LEU 461  -0.200  -5.502  -5.056
   75   1HD2  LEU 461          1HD2      LEU 461   0.916  -7.894  -5.435
   76   2HD2  LEU 461          2HD2      LEU 461   0.433  -7.042  -6.902
   77   3HD2  LEU 461          3HD2      LEU 461  -0.009  -8.734  -6.679
   78    HA   PRO 462           HA       PRO 462  -2.734 -11.516  -0.862
   79   1HB   PRO 462          2HB       PRO 462  -2.331  -9.555   1.181
   80   2HB   PRO 462          1HB       PRO 462  -1.492 -11.089   0.966
   81   1HG   PRO 462          2HG       PRO 462  -0.354  -8.574   0.663
   82   2HG   PRO 462          1HG       PRO 462   0.312 -10.090   0.037
   83   1HD   PRO 462          2HD       PRO 462  -1.187  -7.947  -1.380
   84   2HD   PRO 462          1HD       PRO 462   0.090  -9.023  -1.981
   85    HA   PRO 463           HA       PRO 463  -6.759  -9.765  -0.525
   86   1HB   PRO 463          2HB       PRO 463  -7.498 -10.248   2.064
   87   2HB   PRO 463          1HB       PRO 463  -7.463 -11.486   0.805
   88   1HG   PRO 463          2HG       PRO 463  -5.445 -10.885   2.929
   89   2HG   PRO 463          1HG       PRO 463  -6.025 -12.456   2.346
   90   1HD   PRO 463          2HD       PRO 463  -3.658 -11.420   1.570
   91   2HD   PRO 463          1HD       PRO 463  -4.655 -12.413   0.487
   92    H    GLY 464           H        GLY 464  -7.569  -7.771  -0.315
   93   1HA   GLY 464          2HA       GLY 464  -8.007  -5.687   0.585
   94   2HA   GLY 464          1HA       GLY 464  -7.124  -6.164   2.024
   95    H    TRP 465           H        TRP 465  -5.062  -6.808  -0.443
   96    HA   TRP 465           HA       TRP 465  -3.639  -4.301  -0.002
   97   1HB   TRP 465          2HB       TRP 465  -2.842  -6.996  -1.067
   98   2HB   TRP 465          1HB       TRP 465  -1.801  -5.590  -1.266
   99    HD1  TRP 465           HD       TRP 465  -3.226  -7.871   1.470
  100    HE1  TRP 465           1HE      TRP 465  -1.770  -7.592   3.575
  101    HE3  TRP 465           3HE      TRP 465  -0.278  -4.009  -0.098
  102    HZ2  TRP 465           2HZ      TRP 465   0.343  -5.945   4.445
  103    HZ3  TRP 465           3HZ      TRP 465   1.436  -3.134   1.433
  104    HH2  TRP 465           HH       TRP 465   1.739  -4.084   3.663
  105    H    GLU 466           H        GLU 466  -2.378  -3.446  -1.897
  106    HA   GLU 466           HA       GLU 466  -3.620  -3.775  -4.494
  107   1HB   GLU 466          2HB       GLU 466  -4.345  -1.626  -2.718
  108   2HB   GLU 466          1HB       GLU 466  -3.547  -0.977  -4.145
  109   1HG   GLU 466          2HG       GLU 466  -5.793  -2.951  -4.355
  110   2HG   GLU 466          1HG       GLU 466  -6.081  -1.218  -4.201
  111    H    GLU 467           H        GLU 467  -2.264  -3.228  -6.164
  112    HA   GLU 467           HA       GLU 467   0.471  -2.548  -5.400
  113   1HB   GLU 467          2HB       GLU 467   1.085  -3.269  -7.644
  114   2HB   GLU 467          1HB       GLU 467   0.102  -4.496  -6.863
  115   1HG   GLU 467          2HG       GLU 467  -1.863  -3.334  -8.096
  116   2HG   GLU 467          1HG       GLU 467  -0.589  -2.674  -9.119
  117    H    ARG 468           H        ARG 468   0.694  -0.386  -5.171
  118    HA   ARG 468           HA       ARG 468  -0.412   1.358  -7.262
  119   1HB   ARG 468          2HB       ARG 468   0.160   1.699  -4.378
  120   2HB   ARG 468          1HB       ARG 468   0.461   3.098  -5.397
  121   1HG   ARG 468          2HG       ARG 468  -2.113   1.794  -5.881
  122   2HG   ARG 468          1HG       ARG 468  -1.925   2.466  -4.259
  123   1HD   ARG 468          2HD       ARG 468  -2.803   4.243  -5.470
  124   2HD   ARG 468          1HD       ARG 468  -1.071   4.574  -5.466
  125    HE   ARG 468           HE       ARG 468  -1.863   3.072  -7.756
  126   1HH1  ARG 468          1HH1      ARG 468  -1.795   6.281  -6.401
  127   2HH1  ARG 468          2HH1      ARG 468  -1.776   7.071  -7.943
  128   1HH2  ARG 468          1HH2      ARG 468  -1.839   4.102  -9.789
  129   2HH2  ARG 468          2HH2      ARG 468  -1.802   5.832  -9.869
  130    H    THR 469           H        THR 469   0.874   2.798  -8.381
  131    HA   THR 469           HA       THR 469   3.691   2.098  -8.500
  132    HB   THR 469           HB       THR 469   3.752   3.583 -10.484
  133    HG1  THR 469           1HG      THR 469   1.666   4.357 -11.227
  134   1HG2  THR 469          1HG2      THR 469   2.598   1.087 -10.252
  135   2HG2  THR 469          2HG2      THR 469   3.048   1.881 -11.761
  136   3HG2  THR 469          3HG2      THR 469   1.395   2.005 -11.158
  137    H    HIS 470           H        HIS 470   5.280   3.234  -7.605
  138    HA   HIS 470           HA       HIS 470   4.695   5.610  -6.099
  139   1HB   HIS 470          2HB       HIS 470   6.363   3.742  -5.498
  140   2HB   HIS 470          1HB       HIS 470   7.454   4.529  -6.632
  141    HD2  HIS 470           2HD      HIS 470   8.819   6.648  -5.654
  142    HE1  HIS 470           1HE      HIS 470   6.705   6.950  -1.999
  143    HE2  HIS 470           2HE      HIS 470   8.578   7.922  -3.407
  144    H    THR 471           H        THR 471   6.055   7.581  -6.289
  145    HA   THR 471           HA       THR 471   5.785   8.780  -8.788
  146    HB   THR 471           HB       THR 471   7.890   9.778  -6.915
  147    HG1  THR 471           1HG      THR 471   6.344  10.468  -5.468
  148   1HG2  THR 471          1HG2      THR 471   6.879  10.855  -9.123
  149   2HG2  THR 471          2HG2      THR 471   7.344  11.841  -7.736
  150   3HG2  THR 471          3HG2      THR 471   5.651  11.416  -7.987
  151    H    ASP 472           H        ASP 472   8.323   6.794  -7.540
  152    HA   ASP 472           HA       ASP 472  10.236   7.640  -9.554
  153   1HB   ASP 472          2HB       ASP 472  10.308   6.018  -7.098
  154   2HB   ASP 472          1HB       ASP 472  11.359   5.445  -8.389
  155    H    GLY 473           H        GLY 473   7.700   5.392  -9.338
  156   1HA   GLY 473          2HA       GLY 473   7.054   4.263 -11.383
  157   2HA   GLY 473          1HA       GLY 473   8.759   3.991 -11.706
  158    H    ARG 474           H        ARG 474   8.973   3.344  -8.690
  159    HA   ARG 474           HA       ARG 474   8.664   0.510  -9.022
  160   1HB   ARG 474          2HB       ARG 474   9.392   2.086  -6.544
  161   2HB   ARG 474          1HB       ARG 474   9.597   0.354  -6.768
  162   1HG   ARG 474          2HG       ARG 474  11.251   0.708  -8.468
  163   2HG   ARG 474          1HG       ARG 474  10.960   2.447  -8.445
  164   1HD   ARG 474          2HD       ARG 474  11.901   2.676  -6.294
  165   2HD   ARG 474          1HD       ARG 474  11.876   0.934  -6.014
  166    HE   ARG 474           HE       ARG 474  13.507   1.125  -8.127
  167   1HH1  ARG 474          1HH1      ARG 474  13.423   2.873  -5.112
  168   2HH1  ARG 474          2HH1      ARG 474  15.130   3.158  -5.082
  169   1HH2  ARG 474          1HH2      ARG 474  15.756   1.493  -8.092
  170   2HH2  ARG 474          2HH2      ARG 474  16.456   2.373  -6.775
  171    H    VAL 475           H        VAL 475   6.856  -0.589  -8.684
  172    HA   VAL 475           HA       VAL 475   4.588   0.647  -7.425
  173    HB   VAL 475           HB       VAL 475   4.371  -0.823  -9.399
  174   1HG1  VAL 475          1HG1      VAL 475   4.733  -3.152  -9.334
  175   2HG1  VAL 475          2HG1      VAL 475   4.873  -3.174  -7.573
  176   3HG1  VAL 475          3HG1      VAL 475   6.140  -2.440  -8.551
  177   1HG2  VAL 475          1HG2      VAL 475   2.397  -2.120  -8.506
  178   2HG2  VAL 475          2HG2      VAL 475   2.413  -0.405  -8.112
  179   3HG2  VAL 475          3HG2      VAL 475   2.869  -1.586  -6.887
  180    H    PHE 476           H        PHE 476   4.405   0.753  -5.294
  181    HA   PHE 476           HA       PHE 476   5.619  -1.273  -3.594
  182   1HB   PHE 476          2HB       PHE 476   5.048   0.220  -1.740
  183   2HB   PHE 476          1HB       PHE 476   5.909   1.093  -3.003
  184    HD1  PHE 476           1HD      PHE 476   4.660   2.616  -4.514
  185    HD2  PHE 476           2HD      PHE 476   2.853   0.808  -1.110
  186    HE1  PHE 476           1HE      PHE 476   2.842   4.274  -4.601
  187    HE2  PHE 476           2HE      PHE 476   1.032   2.461  -1.193
  188    HZ   PHE 476           HZ       PHE 476   1.026   4.198  -2.940
  189    H    PHE 477           H        PHE 477   4.063  -1.485  -1.445
  190    HA   PHE 477           HA       PHE 477   1.545  -2.618  -2.479
  191   1HB   PHE 477          2HB       PHE 477   3.141  -3.539  -0.084
  192   2HB   PHE 477          1HB       PHE 477   1.681  -4.292  -0.710
  193    HD1  PHE 477           1HD      PHE 477   1.788  -5.896  -2.414
  194    HD2  PHE 477           2HD      PHE 477   5.212  -3.534  -1.514
  195    HE1  PHE 477           1HE      PHE 477   3.158  -7.333  -3.868
  196    HE2  PHE 477           2HE      PHE 477   6.588  -4.967  -2.966
  197    HZ   PHE 477           HZ       PHE 477   5.560  -6.869  -4.146
  198    H    ILE 478           H        ILE 478  -0.341  -2.414  -1.216
  199    HA   ILE 478           HA       ILE 478  -0.220  -0.791   1.197
  200    HB   ILE 478           HB       ILE 478  -0.443   0.839  -0.675
  201   1HG1  ILE 478          2HG1      ILE 478  -2.742   0.541   1.256
  202   2HG1  ILE 478          1HG1      ILE 478  -1.319   1.559   1.420
  203   1HG2  ILE 478          1HG2      ILE 478  -3.199  -0.202  -1.157
  204   2HG2  ILE 478          2HG2      ILE 478  -1.817  -0.828  -2.056
  205   3HG2  ILE 478          3HG2      ILE 478  -2.229   0.881  -2.153
  206   1HD1  ILE 478          1HD1      ILE 478  -3.871   2.122   0.164
  207   2HD1  ILE 478          2HD1      ILE 478  -2.511   2.486  -0.899
  208   3HD1  ILE 478          3HD1      ILE 478  -2.607   3.229   0.699
  209    H    ASN 479           H        ASN 479  -1.564  -1.626   2.663
  210    HA   ASN 479           HA       ASN 479  -3.641  -3.467   1.754
  211   1HB   ASN 479          2HB       ASN 479  -3.632  -4.400   3.927
  212   2HB   ASN 479          1HB       ASN 479  -1.943  -4.088   3.548
  213   1HD2  ASN 479          1HD2      ASN 479  -2.790  -4.455   6.129
  214   2HD2  ASN 479          2HD2      ASN 479  -2.649  -2.973   7.000
  215    H    HIS 480           H        HIS 480  -5.795  -3.374   2.631
  216    HA   HIS 480           HA       HIS 480  -6.632  -0.607   3.146
  217   1HB   HIS 480          2HB       HIS 480  -8.079  -2.974   1.971
  218   2HB   HIS 480          1HB       HIS 480  -8.922  -1.515   2.480
  219    HD2  HIS 480           2HD      HIS 480  -5.532  -1.450   0.509
  220    HE1  HIS 480           1HE      HIS 480  -8.608   0.221  -1.869
  221    HE2  HIS 480           2HE      HIS 480  -6.150  -0.394  -1.778
  222    H    ASN 481           H        ASN 481  -6.279  -3.592   4.722
  223    HA   ASN 481           HA       ASN 481  -8.464  -3.712   6.422
  224   1HB   ASN 481          2HB       ASN 481  -5.680  -4.321   7.389
  225   2HB   ASN 481          1HB       ASN 481  -7.189  -5.119   7.813
  226   1HD2  ASN 481          1HD2      ASN 481  -4.641  -4.851   5.507
  227   2HD2  ASN 481          2HD2      ASN 481  -5.057  -6.234   4.564
  228    H    ILE 482           H        ILE 482  -5.402  -1.972   6.889
  229    HA   ILE 482           HA       ILE 482  -6.788  -0.231   8.815
  230    HB   ILE 482           HB       ILE 482  -4.392  -0.031   9.868
  231   1HG1  ILE 482          2HG1      ILE 482  -4.332  -2.855   8.785
  232   2HG1  ILE 482          1HG1      ILE 482  -3.344  -1.530   8.177
  233   1HG2  ILE 482          1HG2      ILE 482  -5.014  -2.068  11.336
  234   2HG2  ILE 482          2HG2      ILE 482  -6.464  -2.132  10.334
  235   3HG2  ILE 482          3HG2      ILE 482  -6.106  -0.684  11.274
  236   1HD1  ILE 482          1HD1      ILE 482  -3.205  -2.887  10.846
  237   2HD1  ILE 482          2HD1      ILE 482  -2.439  -1.328  10.539
  238   3HD1  ILE 482          3HD1      ILE 482  -1.954  -2.748   9.612
  239    H    LYS 483           H        LYS 483  -6.188   0.042   5.950
  240    HA   LYS 483           HA       LYS 483  -5.202   1.460   4.441
  241   1HB   LYS 483          2HB       LYS 483  -5.466   3.636   6.470
  242   2HB   LYS 483          1HB       LYS 483  -5.877   3.647   4.762
  243   1HG   LYS 483          2HG       LYS 483  -7.434   2.503   7.053
  244   2HG   LYS 483          1HG       LYS 483  -7.927   3.724   5.879
  245   1HD   LYS 483          2HD       LYS 483  -7.323   1.535   4.310
  246   2HD   LYS 483          1HD       LYS 483  -8.079   0.818   5.733
  247   1HE   LYS 483          2HE       LYS 483 -10.031   2.191   5.456
  248   2HE   LYS 483          1HE       LYS 483  -9.263   3.095   4.152
  249   1HZ   LYS 483          1HZ       LYS 483  -9.800   0.183   4.012
  250   2HZ   LYS 483          2HZ       LYS 483  -9.332   1.206   2.749
  251   3HZ   LYS 483          3HZ       LYS 483 -10.874   1.353   3.429
  252    H    LYS 484           H        LYS 484  -3.089   0.522   4.567
  253    HA   LYS 484           HA       LYS 484  -1.098   2.454   5.424
  254   1HB   LYS 484          2HB       LYS 484  -1.689   0.431   7.157
  255   2HB   LYS 484          1HB       LYS 484  -0.393  -0.294   6.218
  256   1HG   LYS 484          2HG       LYS 484   1.140   0.892   7.290
  257   2HG   LYS 484          1HG       LYS 484   0.281   2.400   6.973
  258   1HD   LYS 484          2HD       LYS 484  -1.302   1.449   8.885
  259   2HD   LYS 484          1HD       LYS 484   0.182   0.611   9.343
  260   1HE   LYS 484          2HE       LYS 484   1.298   2.918   9.156
  261   2HE   LYS 484          1HE       LYS 484  -0.343   3.560   9.187
  262   1HZ   LYS 484          1HZ       LYS 484  -0.576   2.118  11.286
  263   2HZ   LYS 484          2HZ       LYS 484   0.274   3.576  11.398
  264   3HZ   LYS 484          3HZ       LYS 484   1.117   2.114  11.300
  265    H    THR 485           H        THR 485   1.113   1.800   4.670
  266    HA   THR 485           HA       THR 485   1.109  -0.060   2.416
  267    HB   THR 485           HB       THR 485   0.676   1.828   1.133
  268    HG1  THR 485           1HG      THR 485   2.864   2.516   0.368
  269   1HG2  THR 485          1HG2      THR 485   0.635   3.566   2.725
  270   2HG2  THR 485          2HG2      THR 485   1.897   4.028   1.582
  271   3HG2  THR 485          3HG2      THR 485   2.332   3.335   3.144
  272    H    GLN 486           H        GLN 486   3.322  -0.477   1.597
  273    HA   GLN 486           HA       GLN 486   5.547   0.317   3.250
  274   1HB   GLN 486          2HB       GLN 486   6.092  -2.151   3.725
  275   2HB   GLN 486          1HB       GLN 486   4.855  -1.381   4.711
  276   1HG   GLN 486          2HG       GLN 486   3.136  -2.541   3.697
  277   2HG   GLN 486          1HG       GLN 486   4.084  -2.878   2.250
  278   1HE2  GLN 486          1HE2      GLN 486   5.602  -4.537   2.284
  279   2HE2  GLN 486          2HE2      GLN 486   5.555  -5.785   3.474
  280    H    TRP 487           H        TRP 487   7.529  -0.076   2.282
  281    HA   TRP 487           HA       TRP 487   7.483  -0.475  -0.541
  282   1HB   TRP 487          2HB       TRP 487   9.552   0.138   1.504
  283   2HB   TRP 487          1HB       TRP 487  10.106  -0.558  -0.015
  284    HD1  TRP 487           HD       TRP 487   9.349   2.688   1.518
  285    HE1  TRP 487           1HE      TRP 487   9.186   4.533  -0.269
  286    HE3  TRP 487           3HE      TRP 487   9.081  -0.248  -2.658
  287    HZ2  TRP 487           2HZ      TRP 487   8.969   4.720  -3.077
  288    HZ3  TRP 487           3HZ      TRP 487   8.897   0.842  -4.856
  289    HH2  TRP 487           HH       TRP 487   8.842   3.275  -5.060
  290    H    GLU 488           H        GLU 488   8.234  -2.477   2.223
  291    HA   GLU 488           HA       GLU 488   9.602  -4.546   0.909
  292   1HB   GLU 488          2HB       GLU 488   8.733  -4.022   3.515
  293   2HB   GLU 488          1HB       GLU 488   7.931  -5.522   3.067
  294   1HG   GLU 488          2HG       GLU 488  10.705  -5.552   2.283
  295   2HG   GLU 488          1HG       GLU 488  10.528  -5.214   4.005
  296    H    ASP 489           H        ASP 489   8.528  -6.885   1.038
  297    HA   ASP 489           HA       ASP 489   6.021  -6.710  -0.496
  298   1HB   ASP 489          2HB       ASP 489   8.319  -8.653  -0.761
  299   2HB   ASP 489          1HB       ASP 489   6.773  -8.850  -1.581
  300    HA   PRO 490           HA       PRO 490   4.711  -9.097   3.146
  301   1HB   PRO 490          2HB       PRO 490   2.064  -8.671   2.823
  302   2HB   PRO 490          1HB       PRO 490   3.137  -7.450   3.517
  303   1HG   PRO 490          2HG       PRO 490   2.088  -7.676   0.721
  304   2HG   PRO 490          1HG       PRO 490   2.213  -6.241   1.752
  305   1HD   PRO 490          2HD       PRO 490   4.016  -6.818  -0.193
  306   2HD   PRO 490          1HD       PRO 490   4.451  -5.955   1.295
  307    H    ARG 491           H        ARG 491   3.479  -9.284  -0.146
  308    HA   ARG 491           HA       ARG 491   2.212 -11.827   0.175
  309   1HB   ARG 491          2HB       ARG 491   2.151 -11.775  -2.345
  310   2HB   ARG 491          1HB       ARG 491   1.379 -10.414  -1.545
  311   1HG   ARG 491          2HG       ARG 491   2.959  -8.922  -2.240
  312   2HG   ARG 491          1HG       ARG 491   4.224 -10.147  -2.354
  313   1HD   ARG 491          2HD       ARG 491   1.851 -10.111  -4.195
  314   2HD   ARG 491          1HD       ARG 491   3.319  -9.197  -4.540
  315    HE   ARG 491           HE       ARG 491   4.169 -11.754  -4.034
  316   1HH1  ARG 491          1HH1      ARG 491   1.979 -10.244  -6.285
  317   2HH1  ARG 491          2HH1      ARG 491   2.231 -11.427  -7.524
  318   1HH2  ARG 491          1HH2      ARG 491   4.502 -13.320  -5.657
  319   2HH2  ARG 491          2HH2      ARG 491   3.665 -13.177  -7.167
  320    H    MET 492           H        MET 492   5.422 -10.753  -0.557
  321    HA   MET 492           HA       MET 492   6.257 -13.316  -1.619
  322   1HB   MET 492          2HB       MET 492   7.184 -10.731  -1.908
  323   2HB   MET 492          1HB       MET 492   8.381 -11.464  -0.847
  324   1HG   MET 492          2HG       MET 492   7.563 -12.356  -3.596
  325   2HG   MET 492          1HG       MET 492   9.130 -11.737  -3.079
  326   1HE   MET 492          1HE       MET 492   8.367 -14.504  -4.720
  327   2HE   MET 492          2HE       MET 492   9.564 -15.605  -4.037
  328   3HE   MET 492          3HE       MET 492  10.030 -13.965  -4.487
  329    H    GLN 493           H        GLN 493   6.177 -11.679   1.425
  330    HA   GLN 493           HA       GLN 493   7.686 -13.905   2.631
  331   1HB   GLN 493          2HB       GLN 493   8.967 -11.853   2.823
  332   2HB   GLN 493          1HB       GLN 493   7.579 -11.013   3.504
  333   1HG   GLN 493          2HG       GLN 493   8.537 -11.483   5.464
  334   2HG   GLN 493          1HG       GLN 493   7.832 -13.082   5.233
  335   1HE2  GLN 493          1HE2      GLN 493   9.218 -14.646   4.034
  336   2HE2  GLN 493          2HE2      GLN 493  10.913 -14.627   4.367
  337    H    ASN 494           H        ASN 494   5.460 -14.860   2.619
  338    HA   ASN 494           HA       ASN 494   3.509 -13.766   4.416
  339   1HB   ASN 494          2HB       ASN 494   3.733 -16.287   2.808
  340   2HB   ASN 494          1HB       ASN 494   2.507 -16.159   4.066
  341   1HD2  ASN 494          1HD2      ASN 494   3.020 -15.801   0.877
  342   2HD2  ASN 494          2HD2      ASN 494   1.792 -14.647   0.497
  343    H    VAL 495           H        VAL 495   4.813 -17.064   4.524
  344    HA   VAL 495           HA       VAL 495   5.207 -18.441   6.311
  345    HB   VAL 495           HB       VAL 495   7.330 -17.172   6.109
  346   1HG1  VAL 495          1HG1      VAL 495   6.054 -15.430   8.210
  347   2HG1  VAL 495          2HG1      VAL 495   6.643 -14.948   6.617
  348   3HG1  VAL 495          3HG1      VAL 495   7.784 -15.443   7.867
  349   1HG2  VAL 495          1HG2      VAL 495   7.677 -17.456   8.837
  350   2HG2  VAL 495          2HG2      VAL 495   7.881 -18.717   7.621
  351   3HG2  VAL 495          3HG2      VAL 495   6.343 -18.550   8.468
  352    H    ALA 496           H        ALA 496   2.737 -17.079   6.559
  353    HA   ALA 496           HA       ALA 496   1.072 -17.064   8.143
  354   1HB   ALA 496          1HB       ALA 496   2.879 -18.492   9.490
  355   2HB   ALA 496          2HB       ALA 496   1.383 -17.915  10.225
  356   3HB   ALA 496          3HB       ALA 496   2.890 -17.034  10.482
  357    H    ILE 497           H        ILE 497   0.397 -15.608  10.080
  358    HA   ILE 497           HA       ILE 497   0.090 -13.515  10.927
  359    HB   ILE 497           HB       ILE 497   2.916 -12.983  10.004
  360   1HG1  ILE 497          2HG1      ILE 497   2.276 -13.462  12.861
  361   2HG1  ILE 497          1HG1      ILE 497   2.222 -14.869  11.802
  362   1HG2  ILE 497          1HG2      ILE 497   2.594 -11.367  12.099
  363   2HG2  ILE 497          2HG2      ILE 497   0.925 -11.416  11.531
  364   3HG2  ILE 497          3HG2      ILE 497   2.210 -10.877  10.449
  365   1HD1  ILE 497          1HD1      ILE 497   4.567 -13.056  12.312
  366   2HD1  ILE 497          2HD1      ILE 497   4.532 -14.287  11.048
  367   3HD1  ILE 497          3HD1      ILE 497   4.399 -14.760  12.742
  368    H    THR 498           H        THR 498   2.221 -12.893   8.137
  369    HA   THR 498           HA       THR 498   0.352 -10.881   7.175
  370    HB   THR 498           HB       THR 498   2.333 -10.957   5.294
  371    HG1  THR 498           1HG      THR 498   4.265 -11.353   6.339
  372   1HG2  THR 498          1HG2      THR 498   3.380  -9.232   7.134
  373   2HG2  THR 498          2HG2      THR 498   1.706  -9.359   7.672
  374   3HG2  THR 498          3HG2      THR 498   2.066  -8.846   6.024
  375    H    GLY 499           H        GLY 499  -1.286 -11.526   5.940
  376   1HA   GLY 499          2HA       GLY 499  -1.449 -12.350   3.483
  377   2HA   GLY 499          1HA       GLY 499  -0.925 -13.866   4.201
  378   1H    GLY 605          1HT       GLY 605   8.220  -6.389   8.150
  379   2H    GLY 605          2HT       GLY 605   7.922  -7.484   9.404
  380   3H    GLY 605          3HT       GLY 605   7.202  -7.716   7.891
  381   1HA   GLY 605          1HA       GLY 605   8.879  -9.155   7.573
  382   2HA   GLY 605          2HA       GLY 605   9.744  -7.685   7.150
  383    H    SER 606           H        SER 606  11.196  -9.800   7.968
  384    HA   SER 606           HA       SER 606  11.804  -9.346  10.802
  385   1HB   SER 606          2HB       SER 606  12.523 -11.573   8.895
  386   2HB   SER 606          1HB       SER 606  13.271 -11.409  10.483
  387    HG   SER 606           HG       SER 606  11.098 -11.465  11.346
  388    H    THR 607           H        THR 607  13.191  -9.191   7.579
  389    HA   THR 607           HA       THR 607  15.795  -8.401   8.579
  390    HB   THR 607           HB       THR 607  15.211  -8.026   5.709
  391    HG1  THR 607           1HG      THR 607  14.465  -9.972   5.381
  392   1HG2  THR 607          1HG2      THR 607  17.401  -9.022   7.450
  393   2HG2  THR 607          2HG2      THR 607  17.460  -7.915   6.079
  394   3HG2  THR 607          3HG2      THR 607  17.322  -9.651   5.805
  395    H    LEU 608           H        LEU 608  13.205  -6.916   6.637
  396    HA   LEU 608           HA       LEU 608  14.380  -4.282   7.218
  397   1HB   LEU 608          2HB       LEU 608  14.070  -4.928   4.828
  398   2HB   LEU 608          1HB       LEU 608  12.342  -5.003   5.113
  399    HG   LEU 608           HG       LEU 608  13.070  -2.467   6.004
  400   1HD1  LEU 608          1HD1      LEU 608  15.168  -3.262   4.452
  401   2HD1  LEU 608          2HD1      LEU 608  14.678  -1.589   4.721
  402   3HD1  LEU 608          3HD1      LEU 608  14.132  -2.448   3.280
  403   1HD2  LEU 608          1HD2      LEU 608  11.635  -3.635   3.687
  404   2HD2  LEU 608          2HD2      LEU 608  12.040  -1.921   3.617
  405   3HD2  LEU 608          3HD2      LEU 608  11.059  -2.542   4.944
  406    HA   PRO 609           HA       PRO 609  10.538  -4.463   9.807
  407   1HB   PRO 609          2HB       PRO 609  11.624  -3.451  12.055
  408   2HB   PRO 609          1HB       PRO 609  11.763  -5.162  11.634
  409   1HG   PRO 609          2HG       PRO 609  13.757  -2.956  11.273
  410   2HG   PRO 609          1HG       PRO 609  14.012  -4.606  11.871
  411   1HD   PRO 609          2HD       PRO 609  14.561  -3.851   9.313
  412   2HD   PRO 609          1HD       PRO 609  14.067  -5.498   9.751
  413    H    ILE 610           H        ILE 610  12.964  -1.940   9.361
  414    HA   ILE 610           HA       ILE 610  10.800   0.039   9.223
  415    HB   ILE 610           HB       ILE 610  13.405   0.573  10.650
  416   1HG1  ILE 610          2HG1      ILE 610  10.660   0.137  11.847
  417   2HG1  ILE 610          1HG1      ILE 610  11.969  -1.041  11.883
  418   1HG2  ILE 610          1HG2      ILE 610  10.948   2.246  10.884
  419   2HG2  ILE 610          2HG2      ILE 610  11.978   2.414   9.462
  420   3HG2  ILE 610          3HG2      ILE 610  12.642   2.699  11.070
  421   1HD1  ILE 610          1HD1      ILE 610  12.378  -0.139  13.890
  422   2HD1  ILE 610          2HD1      ILE 610  11.546   1.367  13.499
  423   3HD1  ILE 610          3HD1      ILE 610  13.203   1.107  12.953
  424    HA   PRO 611           HA       PRO 611  13.375   0.494   5.474
  425   1HB   PRO 611          2HB       PRO 611  11.420   1.668   3.996
  426   2HB   PRO 611          1HB       PRO 611  11.552  -0.083   4.201
  427   1HG   PRO 611          2HG       PRO 611   9.778   1.862   5.627
  428   2HG   PRO 611          1HG       PRO 611   9.388   0.257   4.983
  429   1HD   PRO 611          2HD       PRO 611   9.879   0.684   7.607
  430   2HD   PRO 611          1HD       PRO 611  10.312  -0.833   6.794
  431    H    GLY 612           H        GLY 612  11.197   2.914   6.892
  432   1HA   GLY 612          2HA       GLY 612  12.617   4.919   7.664
  433   2HA   GLY 612          1HA       GLY 612  13.014   5.033   5.957
  434    H    THR 613           H        THR 613  11.311   5.526   4.454
  435    HA   THR 613           HA       THR 613   8.984   6.827   5.710
  436    HB   THR 613           HB       THR 613   9.100   8.434   3.709
  437    HG1  THR 613           1HG      THR 613  11.410   8.693   3.070
  438   1HG2  THR 613          1HG2      THR 613   9.982   9.948   5.121
  439   2HG2  THR 613          2HG2      THR 613  11.472   9.029   5.328
  440   3HG2  THR 613          3HG2      THR 613  10.041   8.608   6.267
  441    HA   PRO 614           HA       PRO 614   7.192   3.616   2.980
  442   1HB   PRO 614          2HB       PRO 614   4.777   4.666   4.364
  443   2HB   PRO 614          1HB       PRO 614   5.293   2.995   4.113
  444   1HG   PRO 614          2HG       PRO 614   5.525   4.147   6.504
  445   2HG   PRO 614          1HG       PRO 614   6.776   3.046   5.895
  446   1HD   PRO 614          2HD       PRO 614   6.792   6.029   6.060
  447   2HD   PRO 614          1HD       PRO 614   8.116   4.876   6.319
  448    HA   PRO 615           HA       PRO 615   5.809   6.054  -0.426
  449   1HB   PRO 615          2HB       PRO 615   3.561   4.107  -0.636
  450   2HB   PRO 615          1HB       PRO 615   4.714   4.632  -1.868
  451   1HG   PRO 615          2HG       PRO 615   4.951   2.240  -0.722
  452   2HG   PRO 615          1HG       PRO 615   6.384   3.217  -1.096
  453   1HD   PRO 615          2HD       PRO 615   5.052   2.725   1.530
  454   2HD   PRO 615          1HD       PRO 615   6.778   2.909   1.155
  455    HA   PRO 616           HA       PRO 616   2.367   8.701   0.383
  456   1HB   PRO 616          2HB       PRO 616   0.684   7.511  -1.760
  457   2HB   PRO 616          1HB       PRO 616   1.167   9.193  -1.508
  458   1HG   PRO 616          2HG       PRO 616   2.286   7.723  -3.429
  459   2HG   PRO 616          1HG       PRO 616   3.244   8.882  -2.487
  460   1HD   PRO 616          2HD       PRO 616   3.126   5.904  -2.276
  461   2HD   PRO 616          1HD       PRO 616   4.514   6.995  -2.091
  462    H    ASN 617           H        ASN 617   1.170   8.448   2.151
  463    HA   ASN 617           HA       ASN 617   0.017   6.052   3.009
  464   1HB   ASN 617          2HB       ASN 617   0.567   8.141   4.385
  465   2HB   ASN 617          1HB       ASN 617  -0.980   8.776   3.832
  466   1HD2  ASN 617          1HD2      ASN 617   0.210   5.654   5.038
  467   2HD2  ASN 617          2HD2      ASN 617  -1.032   5.446   6.220
  468    H    TYR 618           H        TYR 618  -2.187   5.411   3.184
  469    HA   TYR 618           HA       TYR 618  -3.667   5.683   0.820
  470   1HB   TYR 618          2HB       TYR 618  -3.914   3.736   2.259
  471   2HB   TYR 618          1HB       TYR 618  -4.552   4.742   3.556
  472    HD1  TYR 618           1HD      TYR 618  -6.851   5.116   3.729
  473    HD2  TYR 618           2HD      TYR 618  -5.255   3.641   0.072
  474    HE1  TYR 618           1HE      TYR 618  -9.132   4.767   2.881
  475    HE2  TYR 618           2HE      TYR 618  -7.532   3.289  -0.787
  476    HH   TYR 618           HH       TYR 618  -9.922   2.868   0.453
  477    H    ASP 619           H        ASP 619  -3.805   7.406   3.872
  478    HA   ASP 619           HA       ASP 619  -6.267   8.724   3.454
  479   1HB   ASP 619          2HB       ASP 619  -3.889   9.700   5.052
  480   2HB   ASP 619          1HB       ASP 619  -5.557  10.241   5.222
  481    H    SER 620           H        SER 620  -3.040   9.288   2.308
  482    HA   SER 620           HA       SER 620  -3.657  11.954   1.332
  483   1HB   SER 620          2HB       SER 620  -1.347  10.918   2.228
  484   2HB   SER 620          1HB       SER 620  -1.152  10.582   0.509
  485    HG   SER 620           HG       SER 620  -0.697  12.844   1.716
  486    H    LEU 621           H        LEU 621  -3.894   8.740   0.210
  487    HA   LEU 621           HA       LEU 621  -3.468   9.223  -2.566
  488   1HB   LEU 621          2HB       LEU 621  -4.501   7.001  -0.898
  489   2HB   LEU 621          1HB       LEU 621  -5.021   7.027  -2.571
  490    HG   LEU 621           HG       LEU 621  -2.138   7.030  -1.671
  491   1HD1  LEU 621          1HD1      LEU 621  -2.094   4.718  -2.444
  492   2HD1  LEU 621          2HD1      LEU 621  -3.823   4.791  -2.781
  493   3HD1  LEU 621          3HD1      LEU 621  -3.242   4.927  -1.122
  494   1HD2  LEU 621          1HD2      LEU 621  -2.209   8.056  -3.777
  495   2HD2  LEU 621          2HD2      LEU 621  -3.469   6.970  -4.362
  496   3HD2  LEU 621          3HD2      LEU 621  -1.830   6.368  -4.115
  Start of MODEL    8
    1   1H    GLY 450          1HT       GLY 450  -7.123 -26.597  -2.805
    2   2H    GLY 450          2HT       GLY 450  -6.274 -26.334  -1.367
    3   3H    GLY 450          3HT       GLY 450  -5.903 -27.671  -2.334
    4   1HA   GLY 450          1HA       GLY 450  -4.969 -26.349  -4.026
    5   2HA   GLY 450          2HA       GLY 450  -5.615 -24.887  -3.296
    6    H    SER 451           H        SER 451  -4.243 -27.350  -1.276
    7    HA   SER 451           HA       SER 451  -1.575 -26.378  -1.262
    8   1HB   SER 451          2HB       SER 451  -2.842 -24.490  -0.129
    9   2HB   SER 451          1HB       SER 451  -3.183 -25.619   1.181
   10    HG   SER 451           HG       SER 451  -1.113 -24.141   1.040
   11    HA   PRO 452           HA       PRO 452  -2.217 -30.690   0.320
   12   1HB   PRO 452          2HB       PRO 452   0.579 -30.768  -0.698
   13   2HB   PRO 452          1HB       PRO 452  -0.734 -31.929  -0.923
   14   1HG   PRO 452          2HG       PRO 452  -0.007 -30.311  -2.906
   15   2HG   PRO 452          1HG       PRO 452  -1.718 -30.687  -2.622
   16   1HD   PRO 452          2HD       PRO 452  -0.182 -28.211  -1.953
   17   2HD   PRO 452          1HD       PRO 452  -1.851 -28.381  -2.534
   18    H    VAL 453           H        VAL 453   0.285 -28.292   0.812
   19    HA   VAL 453           HA       VAL 453   0.473 -28.989   3.601
   20    HB   VAL 453           HB       VAL 453   2.951 -29.211   1.880
   21   1HG1  VAL 453          1HG1      VAL 453   3.014 -28.279   4.344
   22   2HG1  VAL 453          2HG1      VAL 453   4.224 -29.426   3.772
   23   3HG1  VAL 453          3HG1      VAL 453   2.873 -29.989   4.754
   24   1HG2  VAL 453          1HG2      VAL 453   1.638 -31.179   1.577
   25   2HG2  VAL 453          2HG2      VAL 453   1.322 -31.303   3.307
   26   3HG2  VAL 453          3HG2      VAL 453   2.949 -31.580   2.686
   27    H    ASP 454           H        ASP 454   2.122 -27.193   0.996
   28    HA   ASP 454           HA       ASP 454   1.488 -24.662   2.061
   29   1HB   ASP 454          2HB       ASP 454   3.143 -25.391   3.783
   30   2HB   ASP 454          1HB       ASP 454   4.360 -25.499   2.513
   31    H    SER 455           H        SER 455   0.991 -25.028  -0.330
   32    HA   SER 455           HA       SER 455   3.163 -24.874  -2.185
   33   1HB   SER 455          2HB       SER 455   0.487 -25.518  -2.378
   34   2HB   SER 455          1HB       SER 455   0.565 -23.946  -3.172
   35    HG   SER 455           HG       SER 455   2.358 -26.052  -3.772
   36    H    ASN 456           H        ASN 456   1.028 -22.571  -0.623
   37    HA   ASN 456           HA       ASN 456   1.026 -20.301  -0.509
   38   1HB   ASN 456          2HB       ASN 456   3.831 -21.085  -0.739
   39   2HB   ASN 456          1HB       ASN 456   3.530 -19.448  -1.315
   40   1HD2  ASN 456          1HD2      ASN 456   1.666 -18.470   0.296
   41   2HD2  ASN 456          2HD2      ASN 456   2.195 -18.456   1.940
   42    H    ASP 457           H        ASP 457  -0.392 -19.745  -2.104
   43    HA   ASP 457           HA       ASP 457   0.796 -18.663  -4.540
   44   1HB   ASP 457          2HB       ASP 457  -0.288 -21.115  -4.725
   45   2HB   ASP 457          1HB       ASP 457  -1.746 -20.150  -4.933
   46    H    LEU 458           H        LEU 458   0.277 -16.816  -3.016
   47    HA   LEU 458           HA       LEU 458  -2.391 -16.071  -2.492
   48   1HB   LEU 458          2HB       LEU 458   0.070 -14.341  -2.744
   49   2HB   LEU 458          1HB       LEU 458  -1.458 -13.828  -2.055
   50    HG   LEU 458           HG       LEU 458   0.362 -15.963  -0.943
   51   1HD1  LEU 458          1HD1      LEU 458  -0.125 -13.093  -0.297
   52   2HD1  LEU 458          2HD1      LEU 458   1.389 -13.995  -0.353
   53   3HD1  LEU 458          3HD1      LEU 458   0.280 -14.218   1.000
   54   1HD2  LEU 458          1HD2      LEU 458  -2.445 -15.283  -0.431
   55   2HD2  LEU 458          2HD2      LEU 458  -1.433 -15.384   1.010
   56   3HD2  LEU 458          3HD2      LEU 458  -1.550 -16.763  -0.084
   57    H    GLY 459           H        GLY 459  -0.328 -15.660  -5.275
   58   1HA   GLY 459          2HA       GLY 459  -0.877 -15.026  -7.423
   59   2HA   GLY 459          1HA       GLY 459  -2.553 -14.911  -6.907
   60    HA   PRO 460           HA       PRO 460  -1.560 -10.566  -7.798
   61   1HB   PRO 460          2HB       PRO 460  -4.151  -9.713  -7.702
   62   2HB   PRO 460          1HB       PRO 460  -3.422 -10.452  -9.132
   63   1HG   PRO 460          2HG       PRO 460  -5.158 -11.698  -7.033
   64   2HG   PRO 460          1HG       PRO 460  -5.219 -11.893  -8.795
   65   1HD   PRO 460          2HD       PRO 460  -4.082 -13.739  -7.204
   66   2HD   PRO 460          1HD       PRO 460  -3.440 -13.375  -8.819
   67    H    LEU 461           H        LEU 461  -0.583 -10.723  -5.592
   68    HA   LEU 461           HA       LEU 461  -0.313  -9.928  -3.484
   69   1HB   LEU 461          2HB       LEU 461  -2.550  -8.029  -4.172
   70   2HB   LEU 461          1HB       LEU 461  -1.289  -7.796  -2.976
   71    HG   LEU 461           HG       LEU 461   0.363  -7.882  -4.928
   72   1HD1  LEU 461          1HD1      LEU 461  -0.768  -8.721  -6.735
   73   2HD1  LEU 461          2HD1      LEU 461  -0.829  -6.987  -7.053
   74   3HD1  LEU 461          3HD1      LEU 461  -2.237  -7.810  -6.382
   75   1HD2  LEU 461          1HD2      LEU 461   0.417  -5.697  -4.552
   76   2HD2  LEU 461          2HD2      LEU 461  -1.191  -5.786  -3.832
   77   3HD2  LEU 461          3HD2      LEU 461  -1.015  -5.475  -5.558
   78    HA   PRO 462           HA       PRO 462  -3.161 -11.865  -0.745
   79   1HB   PRO 462          2HB       PRO 462  -2.690  -9.804   1.294
   80   2HB   PRO 462          1HB       PRO 462  -2.262 -11.515   1.313
   81   1HG   PRO 462          2HG       PRO 462  -0.402  -9.588   1.071
   82   2HG   PRO 462          1HG       PRO 462  -0.237 -11.159   0.265
   83   1HD   PRO 462          2HD       PRO 462  -1.115  -8.528  -0.868
   84   2HD   PRO 462          1HD       PRO 462  -0.039  -9.754  -1.572
   85    HA   PRO 463           HA       PRO 463  -7.084  -9.856  -0.505
   86   1HB   PRO 463          2HB       PRO 463  -8.005 -10.335   2.007
   87   2HB   PRO 463          1HB       PRO 463  -7.906 -11.585   0.763
   88   1HG   PRO 463          2HG       PRO 463  -6.026 -11.004   3.019
   89   2HG   PRO 463          1HG       PRO 463  -6.618 -12.569   2.429
   90   1HD   PRO 463          2HD       PRO 463  -4.174 -11.606   1.790
   91   2HD   PRO 463          1HD       PRO 463  -5.116 -12.621   0.681
   92    H    GLY 464           H        GLY 464  -7.697  -7.785  -0.345
   93   1HA   GLY 464          2HA       GLY 464  -8.079  -5.714   0.654
   94   2HA   GLY 464          1HA       GLY 464  -7.175  -6.254   2.060
   95    H    TRP 465           H        TRP 465  -5.127  -7.054  -0.269
   96    HA   TRP 465           HA       TRP 465  -3.621  -4.575   0.004
   97   1HB   TRP 465          2HB       TRP 465  -2.941  -7.380  -0.824
   98   2HB   TRP 465          1HB       TRP 465  -1.848  -6.054  -1.197
   99    HD1  TRP 465           HD       TRP 465  -3.253  -8.003   1.784
  100    HE1  TRP 465           1HE      TRP 465  -1.737  -7.555   3.816
  101    HE3  TRP 465           3HE      TRP 465  -0.264  -4.378  -0.220
  102    HZ2  TRP 465           2HZ      TRP 465   0.434  -5.885   4.470
  103    HZ3  TRP 465           3HZ      TRP 465   1.511  -3.404   1.177
  104    HH2  TRP 465           HH       TRP 465   1.851  -4.143   3.480
  105    H    GLU 466           H        GLU 466  -2.387  -3.791  -1.895
  106    HA   GLU 466           HA       GLU 466  -3.601  -4.286  -4.488
  107   1HB   GLU 466          2HB       GLU 466  -4.272  -2.006  -2.858
  108   2HB   GLU 466          1HB       GLU 466  -3.457  -1.476  -4.322
  109   1HG   GLU 466          2HG       GLU 466  -5.459  -1.577  -5.278
  110   2HG   GLU 466          1HG       GLU 466  -5.238  -3.326  -5.272
  111    H    GLU 467           H        GLU 467  -2.502  -2.564  -6.087
  112    HA   GLU 467           HA       GLU 467   0.347  -2.365  -5.397
  113   1HB   GLU 467          2HB       GLU 467   0.970  -3.156  -7.612
  114   2HB   GLU 467          1HB       GLU 467   0.002  -4.368  -6.787
  115   1HG   GLU 467          2HG       GLU 467  -1.981  -3.287  -8.056
  116   2HG   GLU 467          1HG       GLU 467  -0.722  -2.628  -9.100
  117    H    ARG 468           H        ARG 468   0.548  -0.211  -5.244
  118    HA   ARG 468           HA       ARG 468  -0.530   1.447  -7.419
  119   1HB   ARG 468          2HB       ARG 468  -0.036   1.932  -4.519
  120   2HB   ARG 468          1HB       ARG 468   0.109   3.294  -5.622
  121   1HG   ARG 468          2HG       ARG 468  -2.311   1.724  -6.038
  122   2HG   ARG 468          1HG       ARG 468  -2.196   2.435  -4.426
  123   1HD   ARG 468          2HD       ARG 468  -3.323   3.834  -6.227
  124   2HD   ARG 468          1HD       ARG 468  -2.059   4.617  -5.279
  125    HE   ARG 468           HE       ARG 468  -0.908   3.509  -7.585
  126   1HH1  ARG 468          1HH1      ARG 468  -3.078   6.065  -6.645
  127   2HH1  ARG 468          2HH1      ARG 468  -2.665   7.084  -7.984
  128   1HH2  ARG 468          1HH2      ARG 468  -0.354   4.843  -9.349
  129   2HH2  ARG 468          2HH2      ARG 468  -1.116   6.389  -9.522
  130    H    THR 469           H        THR 469   0.789   2.831  -8.548
  131    HA   THR 469           HA       THR 469   3.600   2.177  -8.533
  132    HB   THR 469           HB       THR 469   3.622   3.990 -10.390
  133    HG1  THR 469           1HG      THR 469   1.614   4.476 -11.240
  134   1HG2  THR 469          1HG2      THR 469   3.854   1.993 -11.400
  135   2HG2  THR 469          2HG2      THR 469   2.147   2.178 -11.801
  136   3HG2  THR 469          3HG2      THR 469   2.624   1.232 -10.391
  137    H    HIS 470           H        HIS 470   5.173   3.269  -7.566
  138    HA   HIS 470           HA       HIS 470   4.570   5.610  -6.009
  139   1HB   HIS 470          2HB       HIS 470   6.173   3.720  -5.368
  140   2HB   HIS 470          1HB       HIS 470   7.315   4.454  -6.490
  141    HD2  HIS 470           2HD      HIS 470   8.789   6.465  -5.469
  142    HE1  HIS 470           1HE      HIS 470   6.558   6.970  -1.907
  143    HE2  HIS 470           2HE      HIS 470   8.552   7.784  -3.248
  144    H    THR 471           H        THR 471   5.922   7.578  -6.120
  145    HA   THR 471           HA       THR 471   5.765   8.818  -8.606
  146    HB   THR 471           HB       THR 471   7.811   9.823  -6.694
  147    HG1  THR 471           1HG      THR 471   6.451   9.997  -5.074
  148   1HG2  THR 471          1HG2      THR 471   6.818  10.956  -8.826
  149   2HG2  THR 471          2HG2      THR 471   7.074  11.912  -7.366
  150   3HG2  THR 471          3HG2      THR 471   5.459  11.328  -7.765
  151    H    ASP 472           H        ASP 472   8.229   6.778  -7.316
  152    HA   ASP 472           HA       ASP 472  10.241   7.678  -9.210
  153   1HB   ASP 472          2HB       ASP 472  10.184   5.836  -6.876
  154   2HB   ASP 472          1HB       ASP 472  11.390   5.525  -8.120
  155    H    GLY 473           H        GLY 473   7.683   5.445  -9.173
  156   1HA   GLY 473          2HA       GLY 473   7.106   4.398 -11.280
  157   2HA   GLY 473          1HA       GLY 473   8.820   4.126 -11.551
  158    H    ARG 474           H        ARG 474   8.933   3.370  -8.558
  159    HA   ARG 474           HA       ARG 474   8.588   0.551  -9.000
  160   1HB   ARG 474          2HB       ARG 474   9.308   2.018  -6.454
  161   2HB   ARG 474          1HB       ARG 474   9.482   0.292  -6.741
  162   1HG   ARG 474          2HG       ARG 474  11.274   0.581  -8.184
  163   2HG   ARG 474          1HG       ARG 474  10.874   2.270  -8.500
  164   1HD   ARG 474          2HD       ARG 474  11.351   2.596  -5.973
  165   2HD   ARG 474          1HD       ARG 474  12.194   1.053  -6.105
  166    HE   ARG 474           HE       ARG 474  12.979   2.989  -8.084
  167   1HH1  ARG 474          1HH1      ARG 474  13.532   1.784  -4.864
  168   2HH1  ARG 474          2HH1      ARG 474  15.157   2.379  -4.782
  169   1HH2  ARG 474          1HH2      ARG 474  15.119   3.774  -7.987
  170   2HH2  ARG 474          2HH2      ARG 474  16.059   3.510  -6.557
  171    H    VAL 475           H        VAL 475   6.764  -0.538  -8.697
  172    HA   VAL 475           HA       VAL 475   4.495   0.708  -7.451
  173    HB   VAL 475           HB       VAL 475   4.289  -0.756  -9.436
  174   1HG1  VAL 475          1HG1      VAL 475   6.027  -2.397  -8.540
  175   2HG1  VAL 475          2HG1      VAL 475   4.637  -3.083  -9.374
  176   3HG1  VAL 475          3HG1      VAL 475   4.718  -3.119  -7.609
  177   1HG2  VAL 475          1HG2      VAL 475   2.289  -2.042  -8.540
  178   2HG2  VAL 475          2HG2      VAL 475   2.314  -0.315  -8.199
  179   3HG2  VAL 475          3HG2      VAL 475   2.746  -1.461  -6.934
  180    H    PHE 476           H        PHE 476   4.298   0.802  -5.323
  181    HA   PHE 476           HA       PHE 476   5.495  -1.231  -3.623
  182   1HB   PHE 476          2HB       PHE 476   4.875   0.245  -1.769
  183   2HB   PHE 476          1HB       PHE 476   5.745   1.135  -3.013
  184    HD1  PHE 476           1HD      PHE 476   4.630   2.807  -4.359
  185    HD2  PHE 476           2HD      PHE 476   2.530   0.639  -1.359
  186    HE1  PHE 476           1HE      PHE 476   2.790   4.438  -4.474
  187    HE2  PHE 476           2HE      PHE 476   0.686   2.266  -1.468
  188    HZ   PHE 476           HZ       PHE 476   0.815   4.167  -3.028
  189    H    PHE 477           H        PHE 477   4.056  -1.748  -1.589
  190    HA   PHE 477           HA       PHE 477   1.511  -2.796  -2.627
  191   1HB   PHE 477          2HB       PHE 477   3.177  -3.735  -0.281
  192   2HB   PHE 477          1HB       PHE 477   1.667  -4.465  -0.815
  193    HD1  PHE 477           1HD      PHE 477   4.938  -3.454  -2.309
  194    HD2  PHE 477           2HD      PHE 477   1.854  -6.376  -2.054
  195    HE1  PHE 477           1HE      PHE 477   6.189  -4.904  -3.854
  196    HE2  PHE 477           2HE      PHE 477   3.100  -7.831  -3.599
  197    HZ   PHE 477           HZ       PHE 477   5.271  -7.096  -4.501
  198    H    ILE 478           H        ILE 478  -0.390  -2.639  -1.346
  199    HA   ILE 478           HA       ILE 478  -0.269  -1.002   1.061
  200    HB   ILE 478           HB       ILE 478  -0.501   0.609  -0.811
  201   1HG1  ILE 478          2HG1      ILE 478  -2.827   0.317   1.091
  202   2HG1  ILE 478          1HG1      ILE 478  -1.404   1.332   1.277
  203   1HG2  ILE 478          1HG2      ILE 478  -1.832  -1.058  -2.209
  204   2HG2  ILE 478          2HG2      ILE 478  -2.303   0.639  -2.287
  205   3HG2  ILE 478          3HG2      ILE 478  -3.235  -0.490  -1.305
  206   1HD1  ILE 478          1HD1      ILE 478  -3.869   1.789  -0.314
  207   2HD1  ILE 478          2HD1      ILE 478  -2.355   2.454  -0.929
  208   3HD1  ILE 478          3HD1      ILE 478  -2.933   2.912   0.675
  209    H    ASN 479           H        ASN 479  -1.634  -1.762   2.545
  210    HA   ASN 479           HA       ASN 479  -3.693  -3.652   1.693
  211   1HB   ASN 479          2HB       ASN 479  -3.660  -4.538   3.878
  212   2HB   ASN 479          1HB       ASN 479  -1.977  -4.200   3.501
  213   1HD2  ASN 479          1HD2      ASN 479  -2.783  -4.536   6.078
  214   2HD2  ASN 479          2HD2      ASN 479  -2.701  -3.034   6.924
  215    H    HIS 480           H        HIS 480  -5.841  -3.552   2.538
  216    HA   HIS 480           HA       HIS 480  -6.727  -0.788   2.952
  217   1HB   HIS 480          2HB       HIS 480  -7.979  -3.228   1.776
  218   2HB   HIS 480          1HB       HIS 480  -9.032  -2.020   2.506
  219    HD2  HIS 480           2HD      HIS 480  -5.987  -1.610   0.008
  220    HE1  HIS 480           1HE      HIS 480  -9.356   0.540  -1.386
  221    HE2  HIS 480           2HE      HIS 480  -6.986  -0.188  -1.919
  222    H    ASN 481           H        ASN 481  -6.418  -3.785   4.595
  223    HA   ASN 481           HA       ASN 481  -8.491  -3.831   6.391
  224   1HB   ASN 481          2HB       ASN 481  -5.674  -4.355   7.312
  225   2HB   ASN 481          1HB       ASN 481  -7.159  -5.160   7.805
  226   1HD2  ASN 481          1HD2      ASN 481  -4.629  -4.990   5.488
  227   2HD2  ASN 481          2HD2      ASN 481  -5.056  -6.400   4.589
  228    H    ILE 482           H        ILE 482  -5.413  -2.089   6.809
  229    HA   ILE 482           HA       ILE 482  -6.793  -0.310   8.710
  230    HB   ILE 482           HB       ILE 482  -4.408  -0.038   9.713
  231   1HG1  ILE 482          2HG1      ILE 482  -4.218  -2.755   8.396
  232   2HG1  ILE 482          1HG1      ILE 482  -3.202  -1.354   8.066
  233   1HG2  ILE 482          1HG2      ILE 482  -5.166  -2.588  10.712
  234   2HG2  ILE 482          2HG2      ILE 482  -6.629  -1.686  10.318
  235   3HG2  ILE 482          3HG2      ILE 482  -5.440  -0.997  11.423
  236   1HD1  ILE 482          1HD1      ILE 482  -2.903  -3.399  10.050
  237   2HD1  ILE 482          2HD1      ILE 482  -2.983  -1.809  10.811
  238   3HD1  ILE 482          3HD1      ILE 482  -1.777  -2.132   9.565
  239    H    LYS 483           H        LYS 483  -6.253  -0.093   5.805
  240    HA   LYS 483           HA       LYS 483  -5.350   1.332   4.254
  241   1HB   LYS 483          2HB       LYS 483  -5.949   3.281   6.484
  242   2HB   LYS 483          1HB       LYS 483  -5.745   3.697   4.788
  243   1HG   LYS 483          2HG       LYS 483  -8.047   3.649   5.080
  244   2HG   LYS 483          1HG       LYS 483  -7.685   2.081   4.357
  245   1HD   LYS 483          2HD       LYS 483  -8.110   0.934   6.303
  246   2HD   LYS 483          1HD       LYS 483  -7.717   2.316   7.327
  247   1HE   LYS 483          2HE       LYS 483  -9.872   2.822   7.476
  248   2HE   LYS 483          1HE       LYS 483  -9.944   3.031   5.726
  249   1HZ   LYS 483          1HZ       LYS 483 -10.274   0.434   7.128
  250   2HZ   LYS 483          2HZ       LYS 483 -10.457   0.713   5.470
  251   3HZ   LYS 483          3HZ       LYS 483 -11.549   1.393   6.566
  252    H    LYS 484           H        LYS 484  -3.195   0.415   4.436
  253    HA   LYS 484           HA       LYS 484  -1.261   2.460   5.149
  254   1HB   LYS 484          2HB       LYS 484  -1.766   0.463   6.980
  255   2HB   LYS 484          1HB       LYS 484  -0.387  -0.171   6.092
  256   1HG   LYS 484          2HG       LYS 484   0.969   1.122   7.265
  257   2HG   LYS 484          1HG       LYS 484   0.131   2.556   6.669
  258   1HD   LYS 484          2HD       LYS 484  -0.082   2.756   8.972
  259   2HD   LYS 484          1HD       LYS 484  -1.611   2.008   8.503
  260   1HE   LYS 484          2HE       LYS 484  -1.164   0.449  10.033
  261   2HE   LYS 484          1HE       LYS 484   0.062  -0.147   8.915
  262   1HZ   LYS 484          1HZ       LYS 484   0.549   0.656  11.432
  263   2HZ   LYS 484          2HZ       LYS 484   0.919   2.061  10.566
  264   3HZ   LYS 484          3HZ       LYS 484   1.710   0.611  10.201
  265    H    THR 485           H        THR 485   0.966   1.831   4.415
  266    HA   THR 485           HA       THR 485   0.994  -0.149   2.265
  267    HB   THR 485           HB       THR 485   0.495   1.667   0.901
  268    HG1  THR 485           1HG      THR 485   3.291   2.053   0.973
  269   1HG2  THR 485          1HG2      THR 485   1.743   3.897   1.226
  270   2HG2  THR 485          2HG2      THR 485   2.126   3.286   2.836
  271   3HG2  THR 485          3HG2      THR 485   0.444   3.502   2.352
  272    H    GLN 486           H        GLN 486   3.279  -0.364   1.354
  273    HA   GLN 486           HA       GLN 486   5.428   0.468   3.089
  274   1HB   GLN 486          2HB       GLN 486   6.113  -1.964   3.469
  275   2HB   GLN 486          1HB       GLN 486   4.770  -1.354   4.428
  276   1HG   GLN 486          2HG       GLN 486   3.198  -2.568   3.244
  277   2HG   GLN 486          1HG       GLN 486   4.255  -2.760   1.848
  278   1HE2  GLN 486          1HE2      GLN 486   5.270  -4.612   1.624
  279   2HE2  GLN 486          2HE2      GLN 486   5.483  -5.804   2.853
  280    H    TRP 487           H        TRP 487   7.501   0.023   2.226
  281    HA   TRP 487           HA       TRP 487   7.578  -0.060  -0.625
  282   1HB   TRP 487          2HB       TRP 487   9.498   0.369   1.574
  283   2HB   TRP 487          1HB       TRP 487  10.182  -0.338   0.114
  284    HD1  TRP 487           HD       TRP 487   9.994   2.871   1.546
  285    HE1  TRP 487           1HE      TRP 487   9.882   4.759  -0.200
  286    HE3  TRP 487           3HE      TRP 487   8.649   0.115  -2.544
  287    HZ2  TRP 487           2HZ      TRP 487   9.301   5.042  -2.947
  288    HZ3  TRP 487           3HZ      TRP 487   8.335   1.270  -4.694
  289    HH2  TRP 487           HH       TRP 487   8.654   3.683  -4.889
  290    H    GLU 488           H        GLU 488   8.635  -2.270   1.941
  291    HA   GLU 488           HA       GLU 488   9.733  -4.242   0.272
  292   1HB   GLU 488          2HB       GLU 488   9.548  -3.864   2.978
  293   2HB   GLU 488          1HB       GLU 488   8.466  -5.228   2.732
  294   1HG   GLU 488          2HG       GLU 488  10.242  -6.543   2.770
  295   2HG   GLU 488          1HG       GLU 488  10.726  -5.834   1.230
  296    H    ASP 489           H        ASP 489   8.714  -6.612   0.553
  297    HA   ASP 489           HA       ASP 489   6.022  -6.427  -0.616
  298   1HB   ASP 489          2HB       ASP 489   7.835  -8.811  -0.892
  299   2HB   ASP 489          1HB       ASP 489   6.496  -8.321  -1.925
  300    HA   PRO 490           HA       PRO 490   4.834  -8.596   3.130
  301   1HB   PRO 490          2HB       PRO 490   2.171  -8.484   2.777
  302   2HB   PRO 490          1HB       PRO 490   3.114  -7.062   3.240
  303   1HG   PRO 490          2HG       PRO 490   2.019  -7.826   0.572
  304   2HG   PRO 490          1HG       PRO 490   2.125  -6.229   1.327
  305   1HD   PRO 490          2HD       PRO 490   3.881  -7.192  -0.577
  306   2HD   PRO 490          1HD       PRO 490   4.246  -5.888   0.569
  307    H    ARG 491           H        ARG 491   3.426  -9.384  -0.034
  308    HA   ARG 491           HA       ARG 491   2.620 -12.014   0.751
  309   1HB   ARG 491          2HB       ARG 491   2.201 -12.336  -1.684
  310   2HB   ARG 491          1HB       ARG 491   1.403 -10.924  -1.007
  311   1HG   ARG 491          2HG       ARG 491   2.742  -9.449  -2.142
  312   2HG   ARG 491          1HG       ARG 491   4.074 -10.599  -2.283
  313   1HD   ARG 491          2HD       ARG 491   1.480 -10.603  -3.815
  314   2HD   ARG 491          1HD       ARG 491   3.096 -10.304  -4.451
  315    HE   ARG 491           HE       ARG 491   1.872 -12.835  -4.029
  316   1HH1  ARG 491          1HH1      ARG 491   4.932 -11.176  -3.937
  317   2HH1  ARG 491          2HH1      ARG 491   5.864 -12.605  -4.240
  318   1HH2  ARG 491          1HH2      ARG 491   3.087 -14.724  -4.424
  319   2HH2  ARG 491          2HH2      ARG 491   4.814 -14.623  -4.518
  320    H    MET 492           H        MET 492   5.598 -10.641  -0.198
  321    HA   MET 492           HA       MET 492   6.690 -13.065  -1.331
  322   1HB   MET 492          2HB       MET 492   7.310 -10.570  -1.853
  323   2HB   MET 492          1HB       MET 492   8.366 -10.742  -0.458
  324   1HG   MET 492          2HG       MET 492   9.629 -12.438  -1.494
  325   2HG   MET 492          1HG       MET 492   8.434 -12.650  -2.772
  326   1HE   MET 492          1HE       MET 492  12.046 -11.290  -3.725
  327   2HE   MET 492          2HE       MET 492  10.895 -11.935  -4.895
  328   3HE   MET 492          3HE       MET 492  11.101 -12.726  -3.333
  329    H    GLN 493           H        GLN 493   6.881 -11.287   1.711
  330    HA   GLN 493           HA       GLN 493   8.897 -12.935   2.863
  331   1HB   GLN 493          2HB       GLN 493   7.251 -10.672   3.682
  332   2HB   GLN 493          1HB       GLN 493   7.488 -11.832   4.982
  333   1HG   GLN 493          2HG       GLN 493   9.879 -11.036   3.432
  334   2HG   GLN 493          1HG       GLN 493   9.169  -9.829   4.504
  335   1HE2  GLN 493          1HE2      GLN 493  11.033 -12.679   4.276
  336   2HE2  GLN 493          2HE2      GLN 493  11.321 -12.902   5.965
  337    H    ASN 494           H        ASN 494   8.524 -15.058   3.059
  338    HA   ASN 494           HA       ASN 494   6.567 -15.969   4.929
  339   1HB   ASN 494          2HB       ASN 494   5.641 -17.644   3.114
  340   2HB   ASN 494          1HB       ASN 494   4.932 -16.044   3.307
  341   1HD2  ASN 494          1HD2      ASN 494   4.222 -15.756   1.265
  342   2HD2  ASN 494          2HD2      ASN 494   5.255 -15.647  -0.115
  343    H    VAL 495           H        VAL 495   8.304 -17.308   2.112
  344    HA   VAL 495           HA       VAL 495  10.142 -18.726   3.806
  345    HB   VAL 495           HB       VAL 495   8.168 -20.210   3.915
  346   1HG1  VAL 495          1HG1      VAL 495   6.898 -20.482   2.115
  347   2HG1  VAL 495          2HG1      VAL 495   8.199 -21.422   1.386
  348   3HG1  VAL 495          3HG1      VAL 495   8.097 -19.686   1.096
  349   1HG2  VAL 495          1HG2      VAL 495  10.797 -20.889   3.445
  350   2HG2  VAL 495          2HG2      VAL 495   9.907 -21.892   2.299
  351   3HG2  VAL 495          3HG2      VAL 495   9.532 -21.975   4.021
  352    H    ALA 496           H        ALA 496  10.426 -16.810   1.759
  353    HA   ALA 496           HA       ALA 496  11.371 -16.398  -0.301
  354   1HB   ALA 496          1HB       ALA 496  13.619 -17.060  -0.353
  355   2HB   ALA 496          2HB       ALA 496  13.290 -18.554   0.525
  356   3HB   ALA 496          3HB       ALA 496  13.203 -17.002   1.359
  357    H    ILE 497           H        ILE 497   9.789 -17.166  -1.752
  358    HA   ILE 497           HA       ILE 497  10.692 -19.351  -3.400
  359    HB   ILE 497           HB       ILE 497   8.385 -20.445  -3.344
  360   1HG1  ILE 497          2HG1      ILE 497   8.301 -18.969  -0.703
  361   2HG1  ILE 497          1HG1      ILE 497   7.232 -18.697  -2.076
  362   1HG2  ILE 497          1HG2      ILE 497  10.504 -21.393  -2.416
  363   2HG2  ILE 497          2HG2      ILE 497   9.036 -21.959  -1.618
  364   3HG2  ILE 497          3HG2      ILE 497  10.043 -20.733  -0.847
  365   1HD1  ILE 497          1HD1      ILE 497   6.179 -20.026  -0.296
  366   2HD1  ILE 497          2HD1      ILE 497   7.409 -21.270  -0.523
  367   3HD1  ILE 497          3HD1      ILE 497   6.281 -20.899  -1.825
  368    H    THR 498           H        THR 498  10.706 -16.927  -4.312
  369    HA   THR 498           HA       THR 498   8.220 -16.618  -5.867
  370    HB   THR 498           HB       THR 498  10.093 -14.321  -5.434
  371    HG1  THR 498           1HG      THR 498   8.217 -15.378  -3.595
  372   1HG2  THR 498          1HG2      THR 498   7.327 -14.767  -6.368
  373   2HG2  THR 498          2HG2      THR 498   8.509 -13.553  -6.860
  374   3HG2  THR 498          3HG2      THR 498   7.585 -13.332  -5.375
  375    H    GLY 499           H        GLY 499   8.416 -16.911  -7.985
  376   1HA   GLY 499          2HA       GLY 499  10.977 -16.283  -9.281
  377   2HA   GLY 499          1HA       GLY 499  10.292 -17.887  -9.492
  378   1H    GLY 605          1HT       GLY 605  21.302  12.009  -2.729
  379   2H    GLY 605          2HT       GLY 605  19.974  12.851  -3.354
  380   3H    GLY 605          3HT       GLY 605  21.375  12.670  -4.285
  381   1HA   GLY 605          1HA       GLY 605  19.547  10.491  -3.434
  382   2HA   GLY 605          2HA       GLY 605  19.661  11.163  -5.054
  383    H    SER 606           H        SER 606  20.749   9.920  -6.410
  384    HA   SER 606           HA       SER 606  22.271   8.467  -7.273
  385   1HB   SER 606          2HB       SER 606  24.065   9.851  -6.704
  386   2HB   SER 606          1HB       SER 606  23.807   9.638  -4.973
  387    HG   SER 606           HG       SER 606  25.580   8.426  -5.554
  388    H    THR 607           H        THR 607  23.150   7.926  -3.887
  389    HA   THR 607           HA       THR 607  22.682   5.088  -4.203
  390    HB   THR 607           HB       THR 607  23.392   6.335  -1.575
  391    HG1  THR 607           1HG      THR 607  24.987   6.236  -3.904
  392   1HG2  THR 607          1HG2      THR 607  24.422   4.304  -1.126
  393   2HG2  THR 607          2HG2      THR 607  24.629   3.916  -2.834
  394   3HG2  THR 607          3HG2      THR 607  23.032   3.813  -2.094
  395    H    LEU 608           H        LEU 608  21.700   7.402  -1.670
  396    HA   LEU 608           HA       LEU 608  19.883   7.440  -0.291
  397   1HB   LEU 608          2HB       LEU 608  18.882   8.288  -2.342
  398   2HB   LEU 608          1HB       LEU 608  18.549   6.653  -2.881
  399    HG   LEU 608           HG       LEU 608  17.294   6.833  -0.397
  400   1HD1  LEU 608          1HD1      LEU 608  17.640   9.452  -1.388
  401   2HD1  LEU 608          2HD1      LEU 608  16.664   8.922  -0.017
  402   3HD1  LEU 608          3HD1      LEU 608  15.946   9.022  -1.625
  403   1HD2  LEU 608          1HD2      LEU 608  16.546   6.634  -3.234
  404   2HD2  LEU 608          2HD2      LEU 608  15.273   7.198  -2.152
  405   3HD2  LEU 608          3HD2      LEU 608  16.058   5.647  -1.856
  406    HA   PRO 609           HA       PRO 609  19.866   2.728   0.054
  407   1HB   PRO 609          2HB       PRO 609  21.157   2.612   2.449
  408   2HB   PRO 609          1HB       PRO 609  21.997   2.568   0.894
  409   1HG   PRO 609          2HG       PRO 609  21.580   4.874   2.758
  410   2HG   PRO 609          1HG       PRO 609  23.039   4.405   1.867
  411   1HD   PRO 609          2HD       PRO 609  21.417   6.395   1.029
  412   2HD   PRO 609          1HD       PRO 609  22.290   5.344  -0.105
  413    H    ILE 610           H        ILE 610  19.322   5.334   2.366
  414    HA   ILE 610           HA       ILE 610  17.150   3.753   3.578
  415    HB   ILE 610           HB       ILE 610  18.642   6.088   4.783
  416   1HG1  ILE 610          2HG1      ILE 610  18.756   3.147   5.488
  417   2HG1  ILE 610          1HG1      ILE 610  19.998   4.015   4.590
  418   1HG2  ILE 610          1HG2      ILE 610  17.391   5.743   6.757
  419   2HG2  ILE 610          2HG2      ILE 610  16.717   4.230   6.153
  420   3HG2  ILE 610          3HG2      ILE 610  16.222   5.763   5.437
  421   1HD1  ILE 610          1HD1      ILE 610  19.507   3.883   7.446
  422   2HD1  ILE 610          2HD1      ILE 610  19.697   5.534   6.856
  423   3HD1  ILE 610          3HD1      ILE 610  20.963   4.342   6.562
  424    HA   PRO 611           HA       PRO 611  14.918   6.844   0.967
  425   1HB   PRO 611          2HB       PRO 611  12.763   5.043   1.984
  426   2HB   PRO 611          1HB       PRO 611  13.009   5.698   0.361
  427   1HG   PRO 611          2HG       PRO 611  13.618   3.166   0.902
  428   2HG   PRO 611          1HG       PRO 611  14.647   4.140  -0.164
  429   1HD   PRO 611          2HD       PRO 611  15.100   3.297   2.658
  430   2HD   PRO 611          1HD       PRO 611  16.272   3.535   1.347
  431    H    GLY 612           H        GLY 612  13.356   5.467   3.873
  432   1HA   GLY 612          2HA       GLY 612  13.458   7.148   5.822
  433   2HA   GLY 612          1HA       GLY 612  12.651   8.211   4.678
  434    H    THR 613           H        THR 613  10.482   7.995   4.318
  435    HA   THR 613           HA       THR 613   9.088   6.129   6.108
  436    HB   THR 613           HB       THR 613   7.220   7.577   6.085
  437    HG1  THR 613           1HG      THR 613   7.025   9.282   4.606
  438   1HG2  THR 613          1HG2      THR 613   9.804   9.117   6.177
  439   2HG2  THR 613          2HG2      THR 613   8.851   8.494   7.525
  440   3HG2  THR 613          3HG2      THR 613   8.251   9.853   6.574
  441    HA   PRO 614           HA       PRO 614   7.619   3.457   2.928
  442   1HB   PRO 614          2HB       PRO 614   4.939   3.925   4.167
  443   2HB   PRO 614          1HB       PRO 614   5.729   2.403   3.740
  444   1HG   PRO 614          2HG       PRO 614   5.636   3.212   6.273
  445   2HG   PRO 614          1HG       PRO 614   7.086   2.426   5.622
  446   1HD   PRO 614          2HD       PRO 614   6.609   5.297   6.253
  447   2HD   PRO 614          1HD       PRO 614   8.107   4.352   6.352
  448    HA   PRO 615           HA       PRO 615   5.788   5.561  -0.482
  449   1HB   PRO 615          2HB       PRO 615   3.417   3.758  -0.370
  450   2HB   PRO 615          1HB       PRO 615   4.483   4.136  -1.729
  451   1HG   PRO 615          2HG       PRO 615   4.677   1.805  -0.455
  452   2HG   PRO 615          1HG       PRO 615   6.124   2.657  -1.029
  453   1HD   PRO 615          2HD       PRO 615   5.046   2.401   1.741
  454   2HD   PRO 615          1HD       PRO 615   6.730   2.473   1.185
  455    HA   PRO 616           HA       PRO 616   2.627   8.469   0.528
  456   1HB   PRO 616          2HB       PRO 616   0.795   7.537  -1.604
  457   2HB   PRO 616          1HB       PRO 616   1.518   9.130  -1.358
  458   1HG   PRO 616          2HG       PRO 616   2.370   7.517  -3.310
  459   2HG   PRO 616          1HG       PRO 616   3.499   8.538  -2.400
  460   1HD   PRO 616          2HD       PRO 616   2.962   5.605  -2.141
  461   2HD   PRO 616          1HD       PRO 616   4.505   6.482  -2.053
  462    H    ASN 617           H        ASN 617   1.303   8.400   2.215
  463    HA   ASN 617           HA       ASN 617  -0.007   6.103   3.121
  464   1HB   ASN 617          2HB       ASN 617   0.625   8.190   4.451
  465   2HB   ASN 617          1HB       ASN 617  -0.851   8.913   3.820
  466   1HD2  ASN 617          1HD2      ASN 617  -0.041   5.680   5.034
  467   2HD2  ASN 617          2HD2      ASN 617  -1.294   5.628   6.224
  468    H    TYR 618           H        TYR 618  -2.251   5.596   3.256
  469    HA   TYR 618           HA       TYR 618  -3.649   5.863   0.841
  470   1HB   TYR 618          2HB       TYR 618  -4.055   4.000   2.357
  471   2HB   TYR 618          1HB       TYR 618  -4.677   5.100   3.582
  472    HD1  TYR 618           1HD      TYR 618  -6.876   6.158   3.300
  473    HD2  TYR 618           2HD      TYR 618  -5.404   3.337   0.476
  474    HE1  TYR 618           1HE      TYR 618  -9.143   5.905   2.380
  475    HE2  TYR 618           2HE      TYR 618  -7.666   3.076  -0.452
  476    HH   TYR 618           HH       TYR 618  -9.903   4.886  -0.385
  477    H    ASP 619           H        ASP 619  -3.779   7.700   3.830
  478    HA   ASP 619           HA       ASP 619  -6.132   9.160   3.270
  479   1HB   ASP 619          2HB       ASP 619  -3.888   9.358   5.187
  480   2HB   ASP 619          1HB       ASP 619  -4.731  10.866   4.846
  481    H    SER 620           H        SER 620  -2.713   9.774   2.617
  482    HA   SER 620           HA       SER 620  -3.116  12.356   1.484
  483   1HB   SER 620          2HB       SER 620  -0.908  10.788   2.222
  484   2HB   SER 620          1HB       SER 620  -0.743  11.036   0.485
  485    HG   SER 620           HG       SER 620   0.185  12.797   1.348
  486    H    LEU 621           H        LEU 621  -3.381   9.125   0.291
  487    HA   LEU 621           HA       LEU 621  -3.071   9.733  -2.479
  488   1HB   LEU 621          2HB       LEU 621  -3.920   7.397  -0.868
  489   2HB   LEU 621          1HB       LEU 621  -4.503   7.458  -2.521
  490    HG   LEU 621           HG       LEU 621  -1.633   7.398  -1.600
  491   1HD1  LEU 621          1HD1      LEU 621  -3.322   5.500  -3.221
  492   2HD1  LEU 621          2HD1      LEU 621  -2.690   5.235  -1.596
  493   3HD1  LEU 621          3HD1      LEU 621  -1.584   5.337  -2.966
  494   1HD2  LEU 621          1HD2      LEU 621  -2.828   8.063  -4.261
  495   2HD2  LEU 621          2HD2      LEU 621  -1.257   7.271  -4.156
  496   3HD2  LEU 621          3HD2      LEU 621  -1.502   8.848  -3.403
  Start of MODEL    9
    1   1H    GLY 450          1HT       GLY 450  18.425 -15.247  -0.307
    2   2H    GLY 450          2HT       GLY 450  19.182 -13.738  -0.419
    3   3H    GLY 450          3HT       GLY 450  19.692 -14.856   0.744
    4   1HA   GLY 450          1HA       GLY 450  21.087 -14.581  -1.378
    5   2HA   GLY 450          2HA       GLY 450  20.761 -16.196  -0.768
    6    H    SER 451           H        SER 451  19.427 -13.752  -2.981
    7    HA   SER 451           HA       SER 451  18.354 -13.937  -4.979
    8   1HB   SER 451          2HB       SER 451  19.540 -16.620  -5.503
    9   2HB   SER 451          1HB       SER 451  19.432 -15.211  -6.559
   10    HG   SER 451           HG       SER 451  21.105 -14.257  -5.359
   11    HA   PRO 452           HA       PRO 452  14.679 -16.358  -4.925
   12   1HB   PRO 452          2HB       PRO 452  15.361 -17.718  -7.479
   13   2HB   PRO 452          1HB       PRO 452  13.934 -16.765  -7.054
   14   1HG   PRO 452          2HG       PRO 452  15.812 -15.757  -8.651
   15   2HG   PRO 452          1HG       PRO 452  15.007 -14.743  -7.439
   16   1HD   PRO 452          2HD       PRO 452  17.730 -15.979  -7.370
   17   2HD   PRO 452          1HD       PRO 452  17.204 -14.377  -6.811
   18    H    VAL 453           H        VAL 453  13.754 -18.535  -4.825
   19    HA   VAL 453           HA       VAL 453  15.502 -20.820  -4.832
   20    HB   VAL 453           HB       VAL 453  14.952 -21.379  -2.406
   21   1HG1  VAL 453          1HG1      VAL 453  17.197 -20.684  -3.239
   22   2HG1  VAL 453          2HG1      VAL 453  16.892 -20.258  -1.556
   23   3HG1  VAL 453          3HG1      VAL 453  16.788 -19.022  -2.808
   24   1HG2  VAL 453          1HG2      VAL 453  13.234 -19.709  -2.036
   25   2HG2  VAL 453          2HG2      VAL 453  14.396 -18.415  -2.330
   26   3HG2  VAL 453          3HG2      VAL 453  14.573 -19.456  -0.917
   27    H    ASP 454           H        ASP 454  12.401 -19.462  -3.782
   28    HA   ASP 454           HA       ASP 454  11.075 -21.853  -4.861
   29   1HB   ASP 454          2HB       ASP 454   9.524 -21.919  -3.020
   30   2HB   ASP 454          1HB       ASP 454  11.156 -21.937  -2.358
   31    H    SER 455           H        SER 455  10.695 -18.494  -3.801
   32    HA   SER 455           HA       SER 455   9.664 -16.721  -4.861
   33   1HB   SER 455          2HB       SER 455  10.092 -18.223  -6.998
   34   2HB   SER 455          1HB       SER 455   8.349 -18.461  -6.906
   35    HG   SER 455           HG       SER 455   9.807 -16.181  -7.517
   36    H    ASN 456           H        ASN 456   7.505 -19.523  -5.358
   37    HA   ASN 456           HA       ASN 456   5.404 -19.968  -4.600
   38   1HB   ASN 456          2HB       ASN 456   6.562 -19.394  -2.374
   39   2HB   ASN 456          1HB       ASN 456   5.765 -17.829  -2.507
   40   1HD2  ASN 456          1HD2      ASN 456   5.139 -21.304  -2.502
   41   2HD2  ASN 456          2HD2      ASN 456   3.578 -21.201  -1.770
   42    H    ASP 457           H        ASP 457   3.951 -19.340  -6.068
   43    HA   ASP 457           HA       ASP 457   3.510 -16.531  -6.623
   44   1HB   ASP 457          2HB       ASP 457   2.395 -19.071  -7.810
   45   2HB   ASP 457          1HB       ASP 457   1.837 -17.472  -8.293
   46    H    LEU 458           H        LEU 458   1.634 -15.392  -6.267
   47    HA   LEU 458           HA       LEU 458  -0.423 -16.696  -4.618
   48   1HB   LEU 458          2HB       LEU 458   1.195 -14.287  -4.049
   49   2HB   LEU 458          1HB       LEU 458  -0.516 -14.161  -3.691
   50    HG   LEU 458           HG       LEU 458   1.450 -16.127  -2.525
   51   1HD1  LEU 458          1HD1      LEU 458  -0.190 -13.886  -1.359
   52   2HD1  LEU 458          2HD1      LEU 458   1.567 -13.976  -1.481
   53   3HD1  LEU 458          3HD1      LEU 458   0.700 -15.068  -0.401
   54   1HD2  LEU 458          1HD2      LEU 458  -1.525 -16.140  -2.598
   55   2HD2  LEU 458          2HD2      LEU 458  -0.710 -16.663  -1.124
   56   3HD2  LEU 458          3HD2      LEU 458  -0.386 -17.487  -2.650
   57    H    GLY 459           H        GLY 459   0.390 -13.957  -6.719
   58   1HA   GLY 459          2HA       GLY 459  -1.130 -13.678  -8.662
   59   2HA   GLY 459          1HA       GLY 459  -2.454 -13.860  -7.520
   60    HA   PRO 460           HA       PRO 460  -1.976  -9.324  -8.089
   61   1HB   PRO 460          2HB       PRO 460  -4.800  -9.361  -7.256
   62   2HB   PRO 460          1HB       PRO 460  -4.066  -8.661  -8.701
   63   1HG   PRO 460          2HG       PRO 460  -5.590 -10.868  -8.824
   64   2HG   PRO 460          1HG       PRO 460  -4.186 -10.642  -9.884
   65   1HD   PRO 460          2HD       PRO 460  -4.439 -12.296  -7.399
   66   2HD   PRO 460          1HD       PRO 460  -3.623 -12.681  -8.930
   67    H    LEU 461           H        LEU 461  -0.768 -10.167  -5.935
   68    HA   LEU 461           HA       LEU 461  -0.284  -9.721  -3.759
   69   1HB   LEU 461          2HB       LEU 461  -2.388  -7.576  -3.836
   70   2HB   LEU 461          1HB       LEU 461  -0.925  -7.627  -2.871
   71    HG   LEU 461           HG       LEU 461  -0.900  -7.385  -5.875
   72   1HD1  LEU 461          1HD1      LEU 461  -1.357  -5.359  -3.786
   73   2HD1  LEU 461          2HD1      LEU 461  -1.816  -5.365  -5.488
   74   3HD1  LEU 461          3HD1      LEU 461  -0.168  -4.947  -5.021
   75   1HD2  LEU 461          1HD2      LEU 461   1.241  -7.942  -5.437
   76   2HD2  LEU 461          2HD2      LEU 461   1.131  -7.474  -3.741
   77   3HD2  LEU 461          3HD2      LEU 461   1.368  -6.245  -4.981
   78    HA   PRO 462           HA       PRO 462  -3.186 -11.694  -1.101
   79   1HB   PRO 462          2HB       PRO 462  -2.740  -9.852   1.122
   80   2HB   PRO 462          1HB       PRO 462  -2.251 -11.535   0.958
   81   1HG   PRO 462          2HG       PRO 462  -0.476  -9.496   0.921
   82   2HG   PRO 462          1HG       PRO 462  -0.230 -10.998   0.012
   83   1HD   PRO 462          2HD       PRO 462  -1.186  -8.330  -0.956
   84   2HD   PRO 462          1HD       PRO 462  -0.062  -9.473  -1.725
   85    HA   PRO 463           HA       PRO 463  -7.112  -9.710  -0.745
   86   1HB   PRO 463          2HB       PRO 463  -8.003 -10.315   1.766
   87   2HB   PRO 463          1HB       PRO 463  -7.977 -11.476   0.434
   88   1HG   PRO 463          2HG       PRO 463  -6.030 -11.121   2.680
   89   2HG   PRO 463          1HG       PRO 463  -6.677 -12.619   1.983
   90   1HD   PRO 463          2HD       PRO 463  -4.219 -11.696   1.367
   91   2HD   PRO 463          1HD       PRO 463  -5.225 -12.561   0.187
   92    H    GLY 464           H        GLY 464  -7.692  -7.640  -0.481
   93   1HA   GLY 464          2HA       GLY 464  -8.057  -5.626   0.643
   94   2HA   GLY 464          1HA       GLY 464  -7.143  -6.249   2.006
   95    H    TRP 465           H        TRP 465  -5.121  -6.941  -0.370
   96    HA   TRP 465           HA       TRP 465  -3.596  -4.490   0.018
   97   1HB   TRP 465          2HB       TRP 465  -2.948  -7.256  -0.962
   98   2HB   TRP 465          1HB       TRP 465  -1.839  -5.924  -1.261
   99    HD1  TRP 465           HD       TRP 465  -3.237  -8.053   1.587
  100    HE1  TRP 465           1HE      TRP 465  -1.735  -7.719   3.652
  101    HE3  TRP 465           3HE      TRP 465  -0.300  -4.262  -0.162
  102    HZ2  TRP 465           2HZ      TRP 465   0.408  -6.063   4.424
  103    HZ3  TRP 465           3HZ      TRP 465   1.449  -3.352   1.304
  104    HH2  TRP 465           HH       TRP 465   1.797  -4.236   3.555
  105    H    GLU 466           H        GLU 466  -2.412  -3.566  -1.839
  106    HA   GLU 466           HA       GLU 466  -3.614  -3.950  -4.455
  107   1HB   GLU 466          2HB       GLU 466  -4.404  -1.818  -2.691
  108   2HB   GLU 466          1HB       GLU 466  -3.606  -1.149  -4.108
  109   1HG   GLU 466          2HG       GLU 466  -5.463  -3.207  -4.874
  110   2HG   GLU 466          1HG       GLU 466  -6.257  -1.982  -3.885
  111    H    GLU 467           H        GLU 467  -2.325  -3.274  -6.143
  112    HA   GLU 467           HA       GLU 467   0.419  -2.588  -5.408
  113   1HB   GLU 467          2HB       GLU 467   1.020  -3.283  -7.647
  114   2HB   GLU 467          1HB       GLU 467   0.001  -4.514  -6.916
  115   1HG   GLU 467          2HG       GLU 467  -1.828  -2.935  -8.187
  116   2HG   GLU 467          1HG       GLU 467  -0.444  -2.863  -9.277
  117    H    ARG 468           H        ARG 468   0.620  -0.429  -5.137
  118    HA   ARG 468           HA       ARG 468  -0.561   1.351  -7.155
  119   1HB   ARG 468          2HB       ARG 468  -0.150   1.538  -4.289
  120   2HB   ARG 468          1HB       ARG 468   0.509   2.934  -5.127
  121   1HG   ARG 468          2HG       ARG 468  -2.258   1.984  -5.730
  122   2HG   ARG 468          1HG       ARG 468  -1.939   2.975  -4.305
  123   1HD   ARG 468          2HD       ARG 468  -2.159   4.739  -5.650
  124   2HD   ARG 468          1HD       ARG 468  -0.587   4.293  -6.313
  125    HE   ARG 468           HE       ARG 468  -2.411   2.795  -7.710
  126   1HH1  ARG 468          1HH1      ARG 468  -1.881   6.186  -7.128
  127   2HH1  ARG 468          2HH1      ARG 468  -2.544   6.685  -8.649
  128   1HH2  ARG 468          1HH2      ARG 468  -3.286   3.439  -9.717
  129   2HH2  ARG 468          2HH2      ARG 468  -3.343   5.123 -10.120
  130    H    THR 469           H        THR 469   0.684   2.930  -8.183
  131    HA   THR 469           HA       THR 469   3.493   2.226  -8.456
  132    HB   THR 469           HB       THR 469   3.462   3.891 -10.334
  133    HG1  THR 469           1HG      THR 469   1.588   5.053  -9.429
  134   1HG2  THR 469          1HG2      THR 469   1.507   2.428 -11.538
  135   2HG2  THR 469          2HG2      THR 469   1.926   1.391 -10.174
  136   3HG2  THR 469          3HG2      THR 469   3.171   1.885 -11.321
  137    H    HIS 470           H        HIS 470   5.105   3.295  -7.529
  138    HA   HIS 470           HA       HIS 470   4.582   5.617  -5.913
  139   1HB   HIS 470          2HB       HIS 470   6.209   3.702  -5.380
  140   2HB   HIS 470          1HB       HIS 470   7.304   4.479  -6.519
  141    HD2  HIS 470           2HD      HIS 470   8.833   6.420  -5.466
  142    HE1  HIS 470           1HE      HIS 470   6.654   6.911  -1.871
  143    HE2  HIS 470           2HE      HIS 470   8.804   7.467  -3.094
  144    H    THR 471           H        THR 471   5.928   7.579  -6.049
  145    HA   THR 471           HA       THR 471   5.699   8.844  -8.522
  146    HB   THR 471           HB       THR 471   7.707   9.723  -6.462
  147    HG1  THR 471           1HG      THR 471   6.081  10.436  -5.182
  148   1HG2  THR 471          1HG2      THR 471   7.376  11.852  -7.291
  149   2HG2  THR 471          2HG2      THR 471   5.764  11.478  -7.902
  150   3HG2  THR 471          3HG2      THR 471   7.189  10.884  -8.754
  151    H    ASP 472           H        ASP 472   8.197   6.802  -7.300
  152    HA   ASP 472           HA       ASP 472  10.164   7.721  -9.231
  153   1HB   ASP 472          2HB       ASP 472  10.179   6.054  -6.819
  154   2HB   ASP 472          1HB       ASP 472  11.221   5.453  -8.105
  155    H    GLY 473           H        GLY 473   7.625   5.467  -9.152
  156   1HA   GLY 473          2HA       GLY 473   7.025   4.420 -11.255
  157   2HA   GLY 473          1HA       GLY 473   8.737   4.155 -11.548
  158    H    ARG 474           H        ARG 474   8.884   3.397  -8.556
  159    HA   ARG 474           HA       ARG 474   8.554   0.576  -8.993
  160   1HB   ARG 474          2HB       ARG 474   9.370   2.155  -6.549
  161   2HB   ARG 474          1HB       ARG 474   9.344   0.398  -6.621
  162   1HG   ARG 474          2HG       ARG 474  11.323   0.328  -7.622
  163   2HG   ARG 474          1HG       ARG 474  10.836   1.523  -8.825
  164   1HD   ARG 474          2HD       ARG 474  11.601   3.298  -7.566
  165   2HD   ARG 474          1HD       ARG 474  11.468   2.412  -6.048
  166    HE   ARG 474           HE       ARG 474  13.446   1.341  -7.833
  167   1HH1  ARG 474          1HH1      ARG 474  12.807   3.706  -5.361
  168   2HH1  ARG 474          2HH1      ARG 474  14.462   3.831  -4.868
  169   1HH2  ARG 474          1HH2      ARG 474  15.630   1.495  -7.193
  170   2HH2  ARG 474          2HH2      ARG 474  16.069   2.573  -5.911
  171    H    VAL 475           H        VAL 475   6.764  -0.556  -8.637
  172    HA   VAL 475           HA       VAL 475   4.485   0.684  -7.406
  173    HB   VAL 475           HB       VAL 475   4.299  -0.804  -9.378
  174   1HG1  VAL 475          1HG1      VAL 475   4.726  -3.137  -7.512
  175   2HG1  VAL 475          2HG1      VAL 475   6.032  -2.429  -8.455
  176   3HG1  VAL 475          3HG1      VAL 475   4.642  -3.131  -9.277
  177   1HG2  VAL 475          1HG2      VAL 475   2.289  -2.063  -8.492
  178   2HG2  VAL 475          2HG2      VAL 475   2.321  -0.340  -8.142
  179   3HG2  VAL 475          3HG2      VAL 475   2.740  -1.495  -6.879
  180    H    PHE 476           H        PHE 476   4.292   0.800  -5.279
  181    HA   PHE 476           HA       PHE 476   5.500  -1.213  -3.560
  182   1HB   PHE 476          2HB       PHE 476   4.908   0.301  -1.724
  183   2HB   PHE 476          1HB       PHE 476   5.785   1.156  -2.989
  184    HD1  PHE 476           1HD      PHE 476   4.656   2.774  -4.412
  185    HD2  PHE 476           2HD      PHE 476   2.606   0.783  -1.259
  186    HE1  PHE 476           1HE      PHE 476   2.841   4.430  -4.552
  187    HE2  PHE 476           2HE      PHE 476   0.787   2.435  -1.394
  188    HZ   PHE 476           HZ       PHE 476   0.903   4.261  -3.042
  189    H    PHE 477           H        PHE 477   4.064  -1.688  -1.503
  190    HA   PHE 477           HA       PHE 477   1.496  -2.704  -2.517
  191   1HB   PHE 477          2HB       PHE 477   3.049  -3.665  -0.109
  192   2HB   PHE 477          1HB       PHE 477   1.626  -4.421  -0.814
  193    HD1  PHE 477           1HD      PHE 477   5.152  -3.521  -1.548
  194    HD2  PHE 477           2HD      PHE 477   1.849  -6.045  -2.462
  195    HE1  PHE 477           1HE      PHE 477   6.602  -4.891  -2.987
  196    HE2  PHE 477           2HE      PHE 477   3.294  -7.421  -3.902
  197    HZ   PHE 477           HZ       PHE 477   5.674  -6.844  -4.166
  198    H    ILE 478           H        ILE 478  -0.386  -2.547  -1.218
  199    HA   ILE 478           HA       ILE 478  -0.260  -0.917   1.190
  200    HB   ILE 478           HB       ILE 478  -0.512   0.710  -0.682
  201   1HG1  ILE 478          2HG1      ILE 478  -2.792   0.390   1.267
  202   2HG1  ILE 478          1HG1      ILE 478  -1.382   1.427   1.416
  203   1HG2  ILE 478          1HG2      ILE 478  -3.251  -0.392  -1.144
  204   2HG2  ILE 478          2HG2      ILE 478  -1.858  -0.949  -2.071
  205   3HG2  ILE 478          3HG2      ILE 478  -2.333   0.746  -2.130
  206   1HD1  ILE 478          1HD1      ILE 478  -3.954   1.976   0.228
  207   2HD1  ILE 478          2HD1      ILE 478  -2.644   2.297  -0.910
  208   3HD1  ILE 478          3HD1      ILE 478  -2.657   3.088   0.668
  209    H    ASN 479           H        ASN 479  -1.577  -1.780   2.667
  210    HA   ASN 479           HA       ASN 479  -3.661  -3.621   1.766
  211   1HB   ASN 479          2HB       ASN 479  -3.603  -4.593   3.919
  212   2HB   ASN 479          1HB       ASN 479  -1.924  -4.264   3.517
  213   1HD2  ASN 479          1HD2      ASN 479  -2.717  -4.690   6.099
  214   2HD2  ASN 479          2HD2      ASN 479  -2.579  -3.225   7.000
  215    H    HIS 480           H        HIS 480  -5.807  -3.507   2.541
  216    HA   HIS 480           HA       HIS 480  -6.656  -0.769   3.119
  217   1HB   HIS 480          2HB       HIS 480  -7.976  -3.161   1.907
  218   2HB   HIS 480          1HB       HIS 480  -8.979  -1.924   2.656
  219    HD2  HIS 480           2HD      HIS 480  -5.826  -1.066   0.494
  220    HE1  HIS 480           1HE      HIS 480  -9.319   0.293  -1.470
  221    HE2  HIS 480           2HE      HIS 480  -6.787   0.405  -1.414
  222    H    ASN 481           H        ASN 481  -6.288  -3.782   4.701
  223    HA   ASN 481           HA       ASN 481  -8.370  -3.825   6.522
  224   1HB   ASN 481          2HB       ASN 481  -5.562  -4.489   7.370
  225   2HB   ASN 481          1HB       ASN 481  -7.068  -5.257   7.857
  226   1HD2  ASN 481          1HD2      ASN 481  -4.571  -5.094   5.512
  227   2HD2  ASN 481          2HD2      ASN 481  -5.058  -6.455   4.571
  228    H    ILE 482           H        ILE 482  -5.258  -2.140   6.799
  229    HA   ILE 482           HA       ILE 482  -6.507  -0.320   8.738
  230    HB   ILE 482           HB       ILE 482  -4.160  -0.225   9.826
  231   1HG1  ILE 482          2HG1      ILE 482  -4.064  -2.975   8.567
  232   2HG1  ILE 482          1HG1      ILE 482  -3.042  -1.614   8.118
  233   1HG2  ILE 482          1HG2      ILE 482  -5.314  -2.814  10.556
  234   2HG2  ILE 482          2HG2      ILE 482  -6.482  -1.495  10.475
  235   3HG2  ILE 482          3HG2      ILE 482  -5.073  -1.361  11.528
  236   1HD1  ILE 482          1HD1      ILE 482  -1.779  -1.761  10.024
  237   2HD1  ILE 482          2HD1      ILE 482  -2.164  -3.457   9.734
  238   3HD1  ILE 482          3HD1      ILE 482  -3.062  -2.543  10.945
  239    H    LYS 483           H        LYS 483  -5.794  -0.226   5.820
  240    HA   LYS 483           HA       LYS 483  -4.694   1.092   4.298
  241   1HB   LYS 483          2HB       LYS 483  -5.405   3.154   6.390
  242   2HB   LYS 483          1HB       LYS 483  -5.059   3.483   4.697
  243   1HG   LYS 483          2HG       LYS 483  -7.388   3.521   4.855
  244   2HG   LYS 483          1HG       LYS 483  -7.012   1.942   4.163
  245   1HD   LYS 483          2HD       LYS 483  -7.745   0.825   5.987
  246   2HD   LYS 483          1HD       LYS 483  -7.147   2.050   7.106
  247   1HE   LYS 483          2HE       LYS 483  -9.696   1.719   6.867
  248   2HE   LYS 483          1HE       LYS 483  -9.050   3.359   6.891
  249   1HZ   LYS 483          1HZ       LYS 483 -10.753   2.564   5.066
  250   2HZ   LYS 483          2HZ       LYS 483  -9.339   2.056   4.290
  251   3HZ   LYS 483          3HZ       LYS 483  -9.535   3.683   4.712
  252    H    LYS 484           H        LYS 484  -2.584   0.168   4.613
  253    HA   LYS 484           HA       LYS 484  -0.660   2.162   5.477
  254   1HB   LYS 484          2HB       LYS 484  -1.348   0.272   7.308
  255   2HB   LYS 484          1HB       LYS 484  -0.011  -0.529   6.493
  256   1HG   LYS 484          2HG       LYS 484   1.531   0.997   7.221
  257   2HG   LYS 484          1HG       LYS 484   0.339   2.290   7.380
  258   1HD   LYS 484          2HD       LYS 484  -0.383   1.551   9.440
  259   2HD   LYS 484          1HD       LYS 484   0.132  -0.111   9.142
  260   1HE   LYS 484          2HE       LYS 484   1.687   0.644  10.689
  261   2HE   LYS 484          1HE       LYS 484   2.519   0.873   9.150
  262   1HZ   LYS 484          1HZ       LYS 484   1.376   3.226   9.360
  263   2HZ   LYS 484          2HZ       LYS 484   2.875   2.897  10.072
  264   3HZ   LYS 484          3HZ       LYS 484   1.467   2.863  11.010
  265    H    THR 485           H        THR 485   0.875   2.297   3.996
  266    HA   THR 485           HA       THR 485   1.220   0.092   2.105
  267    HB   THR 485           HB       THR 485   0.920   2.074   0.901
  268    HG1  THR 485           1HG      THR 485   3.182   2.575   0.179
  269   1HG2  THR 485          1HG2      THR 485   2.468   4.097   1.452
  270   2HG2  THR 485          2HG2      THR 485   2.603   3.331   3.035
  271   3HG2  THR 485          3HG2      THR 485   1.022   3.821   2.423
  272    H    GLN 486           H        GLN 486   3.435  -0.430   1.374
  273    HA   GLN 486           HA       GLN 486   5.637   0.220   3.111
  274   1HB   GLN 486          2HB       GLN 486   6.061  -2.250   3.605
  275   2HB   GLN 486          1HB       GLN 486   4.784  -1.461   4.523
  276   1HG   GLN 486          2HG       GLN 486   3.116  -2.612   3.464
  277   2HG   GLN 486          1HG       GLN 486   4.072  -2.864   2.005
  278   1HE2  GLN 486          1HE2      GLN 486   5.588  -4.530   1.950
  279   2HE2  GLN 486          2HE2      GLN 486   5.530  -5.846   3.064
  280    H    TRP 487           H        TRP 487   7.600  -0.148   2.152
  281    HA   TRP 487           HA       TRP 487   7.603  -0.577  -0.662
  282   1HB   TRP 487          2HB       TRP 487   9.660   0.007   1.415
  283   2HB   TRP 487          1HB       TRP 487  10.208  -0.636  -0.129
  284    HD1  TRP 487           HD       TRP 487   9.612   2.554   1.499
  285    HE1  TRP 487           1HE      TRP 487   9.369   4.458  -0.214
  286    HE3  TRP 487           3HE      TRP 487   8.942  -0.239  -2.734
  287    HZ2  TRP 487           2HZ      TRP 487   8.949   4.742  -2.990
  288    HZ3  TRP 487           3HZ      TRP 487   8.625   0.928  -4.877
  289    HH2  TRP 487           HH       TRP 487   8.628   3.367  -5.001
  290    H    GLU 488           H        GLU 488   8.449  -2.536   2.132
  291    HA   GLU 488           HA       GLU 488   9.747  -4.628   0.782
  292   1HB   GLU 488          2HB       GLU 488   8.620  -4.172   3.443
  293   2HB   GLU 488          1HB       GLU 488   8.517  -5.850   2.927
  294   1HG   GLU 488          2HG       GLU 488  10.551  -5.816   3.978
  295   2HG   GLU 488          1HG       GLU 488  11.020  -5.531   2.303
  296    H    ASP 489           H        ASP 489   8.873  -6.888   0.617
  297    HA   ASP 489           HA       ASP 489   6.299  -6.785  -0.757
  298   1HB   ASP 489          2HB       ASP 489   8.401  -8.959  -0.676
  299   2HB   ASP 489          1HB       ASP 489   6.934  -8.999  -1.650
  300    HA   PRO 490           HA       PRO 490   4.657  -8.675   3.024
  301   1HB   PRO 490          2HB       PRO 490   2.052  -8.267   2.456
  302   2HB   PRO 490          1HB       PRO 490   3.101  -6.970   3.044
  303   1HG   PRO 490          2HG       PRO 490   2.239  -7.587   0.241
  304   2HG   PRO 490          1HG       PRO 490   2.326  -6.018   1.064
  305   1HD   PRO 490          2HD       PRO 490   4.247  -6.897  -0.647
  306   2HD   PRO 490          1HD       PRO 490   4.595  -5.826   0.724
  307    H    ARG 491           H        ARG 491   3.561  -9.290  -0.280
  308    HA   ARG 491           HA       ARG 491   2.277 -11.764   0.341
  309   1HB   ARG 491          2HB       ARG 491   2.383 -12.054  -2.200
  310   2HB   ARG 491          1HB       ARG 491   1.462 -10.692  -1.579
  311   1HG   ARG 491          2HG       ARG 491   3.104  -9.147  -2.212
  312   2HG   ARG 491          1HG       ARG 491   4.323 -10.404  -2.426
  313   1HD   ARG 491          2HD       ARG 491   1.881  -9.947  -4.136
  314   2HD   ARG 491          1HD       ARG 491   3.555  -9.623  -4.584
  315    HE   ARG 491           HE       ARG 491   2.211 -12.135  -4.685
  316   1HH1  ARG 491          1HH1      ARG 491   5.312 -10.634  -4.173
  317   2HH1  ARG 491          2HH1      ARG 491   6.212 -12.023  -4.681
  318   1HH2  ARG 491          1HH2      ARG 491   3.390 -13.971  -5.355
  319   2HH2  ARG 491          2HH2      ARG 491   5.121 -13.919  -5.352
  320    H    MET 492           H        MET 492   5.542 -10.869  -0.071
  321    HA   MET 492           HA       MET 492   6.433 -13.441  -1.034
  322   1HB   MET 492          2HB       MET 492   7.525 -10.841  -0.900
  323   2HB   MET 492          1HB       MET 492   8.549 -11.860   0.104
  324   1HG   MET 492          2HG       MET 492   7.868 -12.264  -2.796
  325   2HG   MET 492          1HG       MET 492   9.432 -11.817  -2.115
  326   1HE   MET 492          1HE       MET 492  11.156 -15.006  -1.484
  327   2HE   MET 492          2HE       MET 492  10.879 -13.557  -0.516
  328   3HE   MET 492          3HE       MET 492  11.195 -13.414  -2.245
  329    H    GLN 493           H        GLN 493   6.031 -11.813   2.018
  330    HA   GLN 493           HA       GLN 493   7.652 -13.627   3.530
  331   1HB   GLN 493          2HB       GLN 493   5.969 -11.283   4.072
  332   2HB   GLN 493          1HB       GLN 493   5.942 -12.488   5.353
  333   1HG   GLN 493          2HG       GLN 493   8.378 -12.402   5.491
  334   2HG   GLN 493          1HG       GLN 493   8.408 -11.197   4.205
  335   1HE2  GLN 493          1HE2      GLN 493   9.279  -9.551   5.361
  336   2HE2  GLN 493          2HE2      GLN 493   8.486  -8.781   6.690
  337    H    ASN 494           H        ASN 494   6.481 -15.480   2.344
  338    HA   ASN 494           HA       ASN 494   3.872 -16.187   3.302
  339   1HB   ASN 494          2HB       ASN 494   5.850 -18.037   1.973
  340   2HB   ASN 494          1HB       ASN 494   4.094 -18.166   1.993
  341   1HD2  ASN 494          1HD2      ASN 494   3.079 -15.966   1.166
  342   2HD2  ASN 494          2HD2      ASN 494   3.696 -15.453  -0.364
  343    H    VAL 495           H        VAL 495   7.145 -17.476   3.842
  344    HA   VAL 495           HA       VAL 495   6.220 -19.194   5.976
  345    HB   VAL 495           HB       VAL 495   9.060 -18.592   5.120
  346   1HG1  VAL 495          1HG1      VAL 495   8.905 -19.417   7.412
  347   2HG1  VAL 495          2HG1      VAL 495   9.641 -20.616   6.348
  348   3HG1  VAL 495          3HG1      VAL 495   7.962 -20.799   6.855
  349   1HG2  VAL 495          1HG2      VAL 495   8.420 -21.200   4.415
  350   2HG2  VAL 495          2HG2      VAL 495   8.589 -19.827   3.322
  351   3HG2  VAL 495          3HG2      VAL 495   6.999 -20.264   3.950
  352    H    ALA 496           H        ALA 496   7.598 -16.035   5.650
  353    HA   ALA 496           HA       ALA 496   7.694 -14.335   7.191
  354   1HB   ALA 496          1HB       ALA 496   5.919 -15.717   8.448
  355   2HB   ALA 496          2HB       ALA 496   6.856 -14.528   9.351
  356   3HB   ALA 496          3HB       ALA 496   7.263 -16.240   9.464
  357    H    ILE 497           H        ILE 497   8.981 -17.223   8.852
  358    HA   ILE 497           HA       ILE 497  11.360 -15.780   9.612
  359    HB   ILE 497           HB       ILE 497  12.049 -17.854  10.711
  360   1HG1  ILE 497          2HG1      ILE 497   9.499 -19.239  10.152
  361   2HG1  ILE 497          1HG1      ILE 497  10.619 -19.150   8.795
  362   1HG2  ILE 497          1HG2      ILE 497  10.623 -17.607  12.462
  363   2HG2  ILE 497          2HG2      ILE 497   9.184 -17.671  11.445
  364   3HG2  ILE 497          3HG2      ILE 497  10.142 -16.192  11.526
  365   1HD1  ILE 497          1HD1      ILE 497  11.049 -20.435  11.473
  366   2HD1  ILE 497          2HD1      ILE 497  12.377 -20.074  10.370
  367   3HD1  ILE 497          3HD1      ILE 497  11.094 -21.177   9.872
  368    H    THR 498           H        THR 498  13.467 -17.281   9.405
  369    HA   THR 498           HA       THR 498  13.976 -17.400   6.555
  370    HB   THR 498           HB       THR 498  15.647 -16.344   7.984
  371    HG1  THR 498           1HG      THR 498  16.989 -17.103   6.544
  372   1HG2  THR 498          1HG2      THR 498  16.408 -17.210   9.905
  373   2HG2  THR 498          2HG2      THR 498  16.687 -18.793   9.179
  374   3HG2  THR 498          3HG2      THR 498  15.082 -18.365   9.772
  375    H    GLY 499           H        GLY 499  13.946 -19.191   5.366
  376   1HA   GLY 499          2HA       GLY 499  14.453 -21.776   6.665
  377   2HA   GLY 499          1HA       GLY 499  12.966 -21.567   5.753
  378   1H    GLY 605          1HT       GLY 605   5.237  -4.138  14.274
  379   2H    GLY 605          2HT       GLY 605   6.545  -5.196  14.438
  380   3H    GLY 605          3HT       GLY 605   6.791  -3.527  14.540
  381   1HA   GLY 605          1HA       GLY 605   5.931  -3.352  16.636
  382   2HA   GLY 605          2HA       GLY 605   4.931  -4.781  16.425
  383    H    SER 606           H        SER 606   8.421  -4.084  16.184
  384    HA   SER 606           HA       SER 606   9.015  -5.793  18.415
  385   1HB   SER 606          2HB       SER 606  10.396  -7.402  17.143
  386   2HB   SER 606          1HB       SER 606   8.695  -7.497  16.690
  387    HG   SER 606           HG       SER 606   9.206  -6.196  14.866
  388    H    THR 607           H        THR 607  10.837  -4.973  15.470
  389    HA   THR 607           HA       THR 607  12.524  -3.191  17.086
  390    HB   THR 607           HB       THR 607  13.768  -4.955  15.001
  391    HG1  THR 607           1HG      THR 607  14.230  -6.450  16.649
  392   1HG2  THR 607          1HG2      THR 607  14.679  -2.882  16.660
  393   2HG2  THR 607          2HG2      THR 607  15.651  -3.955  15.652
  394   3HG2  THR 607          3HG2      THR 607  15.341  -4.369  17.338
  395    H    LEU 608           H        LEU 608  11.496  -4.182  13.842
  396    HA   LEU 608           HA       LEU 608  12.288  -1.526  12.852
  397   1HB   LEU 608          2HB       LEU 608  13.169  -3.762  11.826
  398   2HB   LEU 608          1HB       LEU 608  11.596  -3.812  11.052
  399    HG   LEU 608           HG       LEU 608  12.344  -1.298  10.412
  400   1HD1  LEU 608          1HD1      LEU 608  14.709  -2.506  11.404
  401   2HD1  LEU 608          2HD1      LEU 608  14.512  -0.920  10.657
  402   3HD1  LEU 608          3HD1      LEU 608  14.879  -2.325   9.658
  403   1HD2  LEU 608          1HD2      LEU 608  12.734  -3.927   9.044
  404   2HD2  LEU 608          2HD2      LEU 608  13.253  -2.433   8.265
  405   3HD2  LEU 608          3HD2      LEU 608  11.560  -2.654   8.711
  406    HA   PRO 609           HA       PRO 609   7.629  -1.600  12.840
  407   1HB   PRO 609          2HB       PRO 609   7.242   0.711  14.163
  408   2HB   PRO 609          1HB       PRO 609   7.535  -0.813  15.011
  409   1HG   PRO 609          2HG       PRO 609   9.448   1.408  14.393
  410   2HG   PRO 609          1HG       PRO 609   9.245   0.495  15.900
  411   1HD   PRO 609          2HD       PRO 609  11.208  -0.039  14.089
  412   2HD   PRO 609          1HD       PRO 609  10.492  -1.277  15.141
  413    H    ILE 610           H        ILE 610   9.893   1.082  12.325
  414    HA   ILE 610           HA       ILE 610   8.624   1.680   9.783
  415    HB   ILE 610           HB       ILE 610   8.707   4.212  10.481
  416   1HG1  ILE 610          2HG1      ILE 610   8.179   2.880  13.145
  417   2HG1  ILE 610          1HG1      ILE 610   9.644   3.762  12.725
  418   1HG2  ILE 610          1HG2      ILE 610   6.658   3.344   9.731
  419   2HG2  ILE 610          2HG2      ILE 610   6.308   4.024  11.318
  420   3HG2  ILE 610          3HG2      ILE 610   6.493   2.281  11.131
  421   1HD1  ILE 610          1HD1      ILE 610   7.823   5.645  12.180
  422   2HD1  ILE 610          2HD1      ILE 610   8.564   5.437  13.767
  423   3HD1  ILE 610          3HD1      ILE 610   6.968   4.759  13.443
  424    HA   PRO 611           HA       PRO 611  13.203   1.842   9.458
  425   1HB   PRO 611          2HB       PRO 611  12.323   1.945   6.611
  426   2HB   PRO 611          1HB       PRO 611  13.586   0.965   7.364
  427   1HG   PRO 611          2HG       PRO 611  11.261  -0.127   6.678
  428   2HG   PRO 611          1HG       PRO 611  12.074  -0.595   8.184
  429   1HD   PRO 611          2HD       PRO 611   9.707   1.181   7.777
  430   2HD   PRO 611          1HD       PRO 611  10.045   0.031   9.087
  431    H    GLY 612           H        GLY 612  11.181   3.579   7.078
  432   1HA   GLY 612          2HA       GLY 612  12.492   6.085   7.900
  433   2HA   GLY 612          1HA       GLY 612  12.454   5.637   6.202
  434    H    THR 613           H        THR 613  10.620   5.964   5.017
  435    HA   THR 613           HA       THR 613   8.175   6.785   6.383
  436    HB   THR 613           HB       THR 613   7.907   8.831   5.182
  437    HG1  THR 613           1HG      THR 613  10.436   8.510   3.946
  438   1HG2  THR 613          1HG2      THR 613   9.292   8.987   7.196
  439   2HG2  THR 613          2HG2      THR 613   9.795  10.167   5.986
  440   3HG2  THR 613          3HG2      THR 613  10.737   8.696   6.230
  441    HA   PRO 614           HA       PRO 614   7.101   3.701   3.166
  442   1HB   PRO 614          2HB       PRO 614   4.484   4.515   4.367
  443   2HB   PRO 614          1HB       PRO 614   5.064   2.905   3.926
  444   1HG   PRO 614          2HG       PRO 614   5.064   3.712   6.470
  445   2HG   PRO 614          1HG       PRO 614   6.373   2.707   5.823
  446   1HD   PRO 614          2HD       PRO 614   6.377   5.584   6.537
  447   2HD   PRO 614          1HD       PRO 614   7.717   4.421   6.517
  448    HA   PRO 615           HA       PRO 615   5.844   6.166  -0.263
  449   1HB   PRO 615          2HB       PRO 615   3.586   4.270  -0.670
  450   2HB   PRO 615          1HB       PRO 615   4.833   4.794  -1.806
  451   1HG   PRO 615          2HG       PRO 615   4.928   2.372  -0.695
  452   2HG   PRO 615          1HG       PRO 615   6.406   3.313  -0.968
  453   1HD   PRO 615          2HD       PRO 615   4.922   2.804   1.569
  454   2HD   PRO 615          1HD       PRO 615   6.668   2.964   1.293
  455    HA   PRO 616           HA       PRO 616   2.422   8.885   0.380
  456   1HB   PRO 616          2HB       PRO 616   0.868   7.672  -1.856
  457   2HB   PRO 616          1HB       PRO 616   1.275   9.365  -1.559
  458   1HG   PRO 616          2HG       PRO 616   2.560   7.966  -3.425
  459   2HG   PRO 616          1HG       PRO 616   3.421   9.135  -2.407
  460   1HD   PRO 616          2HD       PRO 616   3.407   6.157  -2.279
  461   2HD   PRO 616          1HD       PRO 616   4.724   7.297  -1.936
  462    H    ASN 617           H        ASN 617   1.182   8.603   2.118
  463    HA   ASN 617           HA       ASN 617  -0.050   6.212   2.879
  464   1HB   ASN 617          2HB       ASN 617   0.507   8.133   4.395
  465   2HB   ASN 617          1HB       ASN 617  -0.878   8.993   3.729
  466   1HD2  ASN 617          1HD2      ASN 617  -0.368   5.631   4.739
  467   2HD2  ASN 617          2HD2      ASN 617  -1.690   5.585   5.850
  468    H    TYR 618           H        TYR 618  -2.271   5.622   2.974
  469    HA   TYR 618           HA       TYR 618  -3.681   5.986   0.582
  470   1HB   TYR 618          2HB       TYR 618  -3.966   4.046   2.114
  471   2HB   TYR 618          1HB       TYR 618  -4.806   5.100   3.248
  472    HD1  TYR 618           1HD      TYR 618  -4.986   3.627  -0.146
  473    HD2  TYR 618           2HD      TYR 618  -7.099   5.598   2.976
  474    HE1  TYR 618           1HE      TYR 618  -7.108   3.171  -1.303
  475    HE2  TYR 618           2HE      TYR 618  -9.227   5.147   1.828
  476    HH   TYR 618           HH       TYR 618  -9.591   2.932  -0.568
  477    H    ASP 619           H        ASP 619  -3.834   7.672   3.653
  478    HA   ASP 619           HA       ASP 619  -6.245   9.066   3.221
  479   1HB   ASP 619          2HB       ASP 619  -3.871   9.453   4.997
  480   2HB   ASP 619          1HB       ASP 619  -5.030  10.768   4.837
  481    H    SER 620           H        SER 620  -3.050   9.492   1.974
  482    HA   SER 620           HA       SER 620  -3.650  12.186   1.010
  483   1HB   SER 620          2HB       SER 620  -1.314  11.046   1.934
  484   2HB   SER 620          1HB       SER 620  -1.093  11.020   0.184
  485    HG   SER 620           HG       SER 620  -1.054  13.150   0.139
  486    H    LEU 621           H        LEU 621  -3.647   8.924  -0.061
  487    HA   LEU 621           HA       LEU 621  -3.222   9.416  -2.838
  488   1HB   LEU 621          2HB       LEU 621  -4.122   7.124  -1.176
  489   2HB   LEU 621          1HB       LEU 621  -4.544   7.095  -2.877
  490    HG   LEU 621           HG       LEU 621  -1.749   7.275  -1.750
  491   1HD1  LEU 621          1HD1      LEU 621  -3.386   5.065  -2.019
  492   2HD1  LEU 621          2HD1      LEU 621  -1.628   5.057  -1.878
  493   3HD1  LEU 621          3HD1      LEU 621  -2.385   5.031  -3.470
  494   1HD2  LEU 621          1HD2      LEU 621  -1.166   6.839  -4.197
  495   2HD2  LEU 621          2HD2      LEU 621  -1.686   8.468  -3.766
  496   3HD2  LEU 621          3HD2      LEU 621  -2.811   7.364  -4.557
  Start of MODEL   10
    1   1H    GLY 450          1HT       GLY 450  15.402 -24.705  -0.908
    2   2H    GLY 450          2HT       GLY 450  16.251 -25.799   0.064
    3   3H    GLY 450          3HT       GLY 450  15.900 -26.193  -1.544
    4   1HA   GLY 450          1HA       GLY 450  18.186 -24.968  -0.562
    5   2HA   GLY 450          2HA       GLY 450  17.774 -25.284  -2.241
    6    H    SER 451           H        SER 451  15.653 -23.594  -2.646
    7    HA   SER 451           HA       SER 451  16.514 -20.926  -1.844
    8   1HB   SER 451          2HB       SER 451  17.108 -22.048  -4.409
    9   2HB   SER 451          1HB       SER 451  15.933 -20.750  -4.620
   10    HG   SER 451           HG       SER 451  18.472 -20.609  -3.368
   11    HA   PRO 452           HA       PRO 452  11.928 -21.346  -1.796
   12   1HB   PRO 452          2HB       PRO 452  11.578 -19.684   0.327
   13   2HB   PRO 452          1HB       PRO 452  11.946 -21.404   0.501
   14   1HG   PRO 452          2HG       PRO 452  13.786 -19.047   0.668
   15   2HG   PRO 452          1HG       PRO 452  13.708 -20.480   1.710
   16   1HD   PRO 452          2HD       PRO 452  15.552 -20.222  -0.244
   17   2HD   PRO 452          1HD       PRO 452  14.861 -21.796   0.202
   18    H    VAL 453           H        VAL 453  12.688 -20.003  -3.848
   19    HA   VAL 453           HA       VAL 453  12.424 -17.150  -3.591
   20    HB   VAL 453           HB       VAL 453  12.580 -17.101  -6.035
   21   1HG1  VAL 453          1HG1      VAL 453  14.762 -18.734  -6.026
   22   2HG1  VAL 453          2HG1      VAL 453  14.530 -18.434  -4.303
   23   3HG1  VAL 453          3HG1      VAL 453  14.735 -17.080  -5.415
   24   1HG2  VAL 453          1HG2      VAL 453  11.800 -19.885  -5.742
   25   2HG2  VAL 453          2HG2      VAL 453  13.203 -19.683  -6.791
   26   3HG2  VAL 453          3HG2      VAL 453  11.705 -18.826  -7.148
   27    H    ASP 454           H        ASP 454  10.309 -19.824  -4.243
   28    HA   ASP 454           HA       ASP 454   8.040 -18.003  -4.283
   29   1HB   ASP 454          2HB       ASP 454   9.025 -18.859  -6.690
   30   2HB   ASP 454          1HB       ASP 454   7.807 -20.083  -6.350
   31    H    SER 455           H        SER 455   8.260 -19.253  -2.129
   32    HA   SER 455           HA       SER 455   7.409 -21.984  -2.107
   33   1HB   SER 455          2HB       SER 455   7.537 -21.855   0.241
   34   2HB   SER 455          1HB       SER 455   8.787 -20.745  -0.318
   35    HG   SER 455           HG       SER 455   6.330 -20.204   0.899
   36    H    ASN 456           H        ASN 456   5.811 -18.920  -2.149
   37    HA   ASN 456           HA       ASN 456   3.226 -20.303  -2.041
   38   1HB   ASN 456          2HB       ASN 456   3.695 -19.262   0.183
   39   2HB   ASN 456          1HB       ASN 456   3.773 -17.694  -0.613
   40   1HD2  ASN 456          1HD2      ASN 456   1.751 -20.166   0.620
   41   2HD2  ASN 456          2HD2      ASN 456   0.238 -19.394   0.308
   42    H    ASP 457           H        ASP 457   1.933 -19.764  -3.675
   43    HA   ASP 457           HA       ASP 457   2.665 -17.432  -5.306
   44   1HB   ASP 457          2HB       ASP 457   0.838 -19.687  -6.131
   45   2HB   ASP 457          1HB       ASP 457   1.645 -18.514  -7.165
   46    H    LEU 458           H        LEU 458   1.477 -15.675  -5.001
   47    HA   LEU 458           HA       LEU 458  -1.293 -15.972  -4.068
   48   1HB   LEU 458          2HB       LEU 458   0.808 -13.900  -3.715
   49   2HB   LEU 458          1HB       LEU 458  -0.858 -13.355  -3.772
   50    HG   LEU 458           HG       LEU 458  -0.036 -15.553  -1.902
   51   1HD1  LEU 458          1HD1      LEU 458   1.483 -13.915  -1.238
   52   2HD1  LEU 458          2HD1      LEU 458   0.093 -13.650  -0.186
   53   3HD1  LEU 458          3HD1      LEU 458   0.358 -12.600  -1.578
   54   1HD2  LEU 458          1HD2      LEU 458  -2.253 -13.512  -1.934
   55   2HD2  LEU 458          2HD2      LEU 458  -1.941 -14.627  -0.605
   56   3HD2  LEU 458          3HD2      LEU 458  -2.401 -15.250  -2.190
   57    H    GLY 459           H        GLY 459   0.667 -14.059  -6.342
   58   1HA   GLY 459          2HA       GLY 459   0.049 -13.688  -8.602
   59   2HA   GLY 459          1HA       GLY 459  -1.620 -14.028  -8.175
   60    HA   PRO 460           HA       PRO 460  -2.014  -9.593  -8.192
   61   1HB   PRO 460          2HB       PRO 460  -4.617  -9.409  -7.598
   62   2HB   PRO 460          1HB       PRO 460  -4.072 -10.059  -9.149
   63   1HG   PRO 460          2HG       PRO 460  -5.031 -11.509  -6.718
   64   2HG   PRO 460          1HG       PRO 460  -5.365 -11.842  -8.426
   65   1HD   PRO 460          2HD       PRO 460  -3.481 -13.171  -6.902
   66   2HD   PRO 460          1HD       PRO 460  -3.459 -13.071  -8.673
   67    H    LEU 461           H        LEU 461  -0.646 -10.243  -5.994
   68    HA   LEU 461           HA       LEU 461  -0.217  -9.693  -3.828
   69   1HB   LEU 461          2HB       LEU 461  -2.398  -7.671  -3.809
   70   2HB   LEU 461          1HB       LEU 461  -0.757  -7.553  -3.201
   71    HG   LEU 461           HG       LEU 461  -1.380  -7.597  -6.146
   72   1HD1  LEU 461          1HD1      LEU 461  -1.989  -5.459  -6.143
   73   2HD1  LEU 461          2HD1      LEU 461  -0.670  -5.009  -5.062
   74   3HD1  LEU 461          3HD1      LEU 461  -2.190  -5.609  -4.398
   75   1HD2  LEU 461          1HD2      LEU 461   0.814  -7.168  -6.478
   76   2HD2  LEU 461          2HD2      LEU 461   0.975  -7.967  -4.914
   77   3HD2  LEU 461          3HD2      LEU 461   0.962  -6.205  -5.008
   78    HA   PRO 462           HA       PRO 462  -3.061 -11.663  -1.108
   79   1HB   PRO 462          2HB       PRO 462  -2.588  -9.773   1.067
   80   2HB   PRO 462          1HB       PRO 462  -2.079 -11.452   0.922
   81   1HG   PRO 462          2HG       PRO 462  -0.331  -9.395   0.809
   82   2HG   PRO 462          1HG       PRO 462  -0.088 -10.905  -0.087
   83   1HD   PRO 462          2HD       PRO 462  -1.123  -8.268  -1.064
   84   2HD   PRO 462          1HD       PRO 462   0.017  -9.389  -1.841
   85    HA   PRO 463           HA       PRO 463  -6.985  -9.686  -0.708
   86   1HB   PRO 463          2HB       PRO 463  -7.858 -10.282   1.801
   87   2HB   PRO 463          1HB       PRO 463  -7.801 -11.464   0.490
   88   1HG   PRO 463          2HG       PRO 463  -5.871 -11.029   2.734
   89   2HG   PRO 463          1HG       PRO 463  -6.481 -12.552   2.059
   90   1HD   PRO 463          2HD       PRO 463  -4.042 -11.561   1.438
   91   2HD   PRO 463          1HD       PRO 463  -5.009 -12.503   0.285
   92    H    GLY 464           H        GLY 464  -7.603  -7.630  -0.445
   93   1HA   GLY 464          2HA       GLY 464  -7.977  -5.608   0.656
   94   2HA   GLY 464          1HA       GLY 464  -7.049  -6.207   2.021
   95    H    TRP 465           H        TRP 465  -5.040  -6.894  -0.380
   96    HA   TRP 465           HA       TRP 465  -3.549  -4.422  -0.011
   97   1HB   TRP 465          2HB       TRP 465  -2.851  -7.179  -0.977
   98   2HB   TRP 465          1HB       TRP 465  -1.766  -5.826  -1.270
   99    HD1  TRP 465           HD       TRP 465  -3.121  -7.997   1.558
  100    HE1  TRP 465           1HE      TRP 465  -1.652  -7.622   3.638
  101    HE3  TRP 465           3HE      TRP 465  -0.302  -4.096  -0.145
  102    HZ2  TRP 465           2HZ      TRP 465   0.420  -5.897   4.440
  103    HZ3  TRP 465           3HZ      TRP 465   1.404  -3.134   1.347
  104    HH2  TRP 465           HH       TRP 465   1.755  -4.019   3.597
  105    H    GLU 466           H        GLU 466  -2.371  -3.505  -1.880
  106    HA   GLU 466           HA       GLU 466  -3.593  -3.906  -4.486
  107   1HB   GLU 466          2HB       GLU 466  -4.284  -1.710  -2.714
  108   2HB   GLU 466          1HB       GLU 466  -3.617  -1.131  -4.233
  109   1HG   GLU 466          2HG       GLU 466  -5.668  -3.245  -4.418
  110   2HG   GLU 466          1HG       GLU 466  -6.209  -1.660  -3.867
  111    H    GLU 467           H        GLU 467  -2.274  -3.348  -6.165
  112    HA   GLU 467           HA       GLU 467   0.451  -2.578  -5.453
  113   1HB   GLU 467          2HB       GLU 467   1.067  -3.349  -7.667
  114   2HB   GLU 467          1HB       GLU 467   0.082  -4.571  -6.876
  115   1HG   GLU 467          2HG       GLU 467  -1.777  -3.066  -8.219
  116   2HG   GLU 467          1HG       GLU 467  -0.400  -3.070  -9.319
  117    H    ARG 468           H        ARG 468   0.615  -0.408  -5.269
  118    HA   ARG 468           HA       ARG 468  -0.516   1.254  -7.421
  119   1HB   ARG 468          2HB       ARG 468  -0.055   1.705  -4.516
  120   2HB   ARG 468          1HB       ARG 468   0.125   3.087  -5.588
  121   1HG   ARG 468          2HG       ARG 468  -2.302   1.531  -6.061
  122   2HG   ARG 468          1HG       ARG 468  -2.207   2.255  -4.453
  123   1HD   ARG 468          2HD       ARG 468  -3.304   3.782  -5.974
  124   2HD   ARG 468          1HD       ARG 468  -1.741   4.439  -5.491
  125    HE   ARG 468           HE       ARG 468  -1.014   4.248  -7.665
  126   1HH1  ARG 468          1HH1      ARG 468  -4.020   2.530  -7.281
  127   2HH1  ARG 468          2HH1      ARG 468  -4.248   2.288  -8.981
  128   1HH2  ARG 468          1HH2      ARG 468  -1.307   3.936  -9.905
  129   2HH2  ARG 468          2HH2      ARG 468  -2.706   3.087 -10.472
  130    H    THR 469           H        THR 469   0.763   2.722  -8.513
  131    HA   THR 469           HA       THR 469   3.588   2.120  -8.533
  132    HB   THR 469           HB       THR 469   2.480   2.426 -10.666
  133    HG1  THR 469           1HG      THR 469   3.975   3.863 -11.540
  134   1HG2  THR 469          1HG2      THR 469   2.053   5.174 -10.883
  135   2HG2  THR 469          2HG2      THR 469   1.335   4.723  -9.337
  136   3HG2  THR 469          3HG2      THR 469   0.822   3.914 -10.818
  137    H    HIS 470           H        HIS 470   5.164   3.255  -7.609
  138    HA   HIS 470           HA       HIS 470   4.519   5.503  -5.940
  139   1HB   HIS 470          2HB       HIS 470   6.215   3.696  -5.394
  140   2HB   HIS 470          1HB       HIS 470   7.275   4.448  -6.581
  141    HD2  HIS 470           2HD      HIS 470   8.881   6.326  -5.563
  142    HE1  HIS 470           1HE      HIS 470   6.671   7.078  -2.032
  143    HE2  HIS 470           2HE      HIS 470   8.709   7.734  -3.391
  144    H    THR 471           H        THR 471   5.792   7.535  -6.018
  145    HA   THR 471           HA       THR 471   5.482   8.857  -8.448
  146    HB   THR 471           HB       THR 471   7.388   9.657  -6.241
  147    HG1  THR 471           1HG      THR 471   5.444   9.490  -5.246
  148   1HG2  THR 471          1HG2      THR 471   6.354  11.951  -7.199
  149   2HG2  THR 471          2HG2      THR 471   6.332  10.975  -8.667
  150   3HG2  THR 471          3HG2      THR 471   7.848  11.236  -7.803
  151    H    ASP 472           H        ASP 472   8.078   6.891  -7.299
  152    HA   ASP 472           HA       ASP 472   9.965   7.893  -9.271
  153   1HB   ASP 472          2HB       ASP 472  10.150   5.772  -7.134
  154   2HB   ASP 472          1HB       ASP 472  11.439   6.066  -8.296
  155    H    GLY 473           H        GLY 473   7.490   5.583  -9.171
  156   1HA   GLY 473          2HA       GLY 473   6.896   4.523 -11.268
  157   2HA   GLY 473          1HA       GLY 473   8.611   4.291 -11.571
  158    H    ARG 474           H        ARG 474   8.785   3.531  -8.577
  159    HA   ARG 474           HA       ARG 474   8.517   0.705  -9.022
  160   1HB   ARG 474          2HB       ARG 474   9.538   2.438  -6.813
  161   2HB   ARG 474          1HB       ARG 474   9.130   0.767  -6.446
  162   1HG   ARG 474          2HG       ARG 474  11.051   0.070  -7.289
  163   2HG   ARG 474          1HG       ARG 474  10.702   0.856  -8.831
  164   1HD   ARG 474          2HD       ARG 474  11.397   3.007  -7.406
  165   2HD   ARG 474          1HD       ARG 474  12.335   1.790  -6.543
  166    HE   ARG 474           HE       ARG 474  12.665   1.607  -9.374
  167   1HH1  ARG 474          1HH1      ARG 474  13.699   3.324  -6.526
  168   2HH1  ARG 474          2HH1      ARG 474  15.229   3.781  -7.199
  169   1HH2  ARG 474          1HH2      ARG 474  14.678   2.200 -10.268
  170   2HH2  ARG 474          2HH2      ARG 474  15.785   3.142  -9.326
  171    H    VAL 475           H        VAL 475   6.746  -0.466  -8.676
  172    HA   VAL 475           HA       VAL 475   4.434   0.713  -7.441
  173    HB   VAL 475           HB       VAL 475   4.293  -0.784  -9.412
  174   1HG1  VAL 475          1HG1      VAL 475   4.698  -3.102  -9.307
  175   2HG1  VAL 475          2HG1      VAL 475   4.789  -3.101  -7.543
  176   3HG1  VAL 475          3HG1      VAL 475   6.071  -2.358  -8.493
  177   1HG2  VAL 475          1HG2      VAL 475   2.748  -1.526  -6.920
  178   2HG2  VAL 475          2HG2      VAL 475   2.322  -2.107  -8.533
  179   3HG2  VAL 475          3HG2      VAL 475   2.298  -0.384  -8.182
  180    H    PHE 476           H        PHE 476   4.245   0.837  -5.316
  181    HA   PHE 476           HA       PHE 476   5.487  -1.148  -3.587
  182   1HB   PHE 476          2HB       PHE 476   4.901   0.357  -1.761
  183   2HB   PHE 476          1HB       PHE 476   5.708   1.250  -3.045
  184    HD1  PHE 476           1HD      PHE 476   2.534   0.663  -1.326
  185    HD2  PHE 476           2HD      PHE 476   4.536   2.898  -4.343
  186    HE1  PHE 476           1HE      PHE 476   0.640   2.234  -1.414
  187    HE2  PHE 476           2HE      PHE 476   2.649   4.476  -4.434
  188    HZ   PHE 476           HZ       PHE 476   0.698   4.144  -2.967
  189    H    PHE 477           H        PHE 477   4.086  -1.686  -1.554
  190    HA   PHE 477           HA       PHE 477   1.512  -2.711  -2.545
  191   1HB   PHE 477          2HB       PHE 477   3.280  -3.692  -0.294
  192   2HB   PHE 477          1HB       PHE 477   1.710  -4.377  -0.700
  193    HD1  PHE 477           1HD      PHE 477   1.655  -6.217  -2.072
  194    HD2  PHE 477           2HD      PHE 477   4.961  -3.552  -2.327
  195    HE1  PHE 477           1HE      PHE 477   2.730  -7.714  -3.704
  196    HE2  PHE 477           2HE      PHE 477   6.043  -5.043  -3.959
  197    HZ   PHE 477           HZ       PHE 477   4.928  -7.127  -4.648
  198    H    ILE 478           H        ILE 478  -0.368  -2.495  -1.284
  199    HA   ILE 478           HA       ILE 478  -0.205  -0.949   1.179
  200    HB   ILE 478           HB       ILE 478  -0.393   0.734  -0.651
  201   1HG1  ILE 478          2HG1      ILE 478  -2.710   0.453   1.264
  202   2HG1  ILE 478          1HG1      ILE 478  -1.246   1.402   1.479
  203   1HG2  ILE 478          1HG2      ILE 478  -2.172   0.851  -2.127
  204   2HG2  ILE 478          2HG2      ILE 478  -3.182  -0.208  -1.143
  205   3HG2  ILE 478          3HG2      ILE 478  -1.828  -0.877  -2.054
  206   1HD1  ILE 478          1HD1      ILE 478  -2.386   3.165   0.751
  207   2HD1  ILE 478          2HD1      ILE 478  -3.758   2.154   0.294
  208   3HD1  ILE 478          3HD1      ILE 478  -2.435   2.411  -0.844
  209    H    ASN 479           H        ASN 479  -1.581  -1.746   2.633
  210    HA   ASN 479           HA       ASN 479  -3.685  -3.552   1.716
  211   1HB   ASN 479          2HB       ASN 479  -3.724  -4.445   3.919
  212   2HB   ASN 479          1HB       ASN 479  -2.029  -4.222   3.509
  213   1HD2  ASN 479          1HD2      ASN 479  -2.699  -4.506   6.094
  214   2HD2  ASN 479          2HD2      ASN 479  -2.536  -3.009   6.937
  215    H    HIS 480           H        HIS 480  -5.846  -3.375   2.399
  216    HA   HIS 480           HA       HIS 480  -6.656  -0.619   2.957
  217   1HB   HIS 480          2HB       HIS 480  -8.049  -2.988   1.748
  218   2HB   HIS 480          1HB       HIS 480  -8.975  -1.621   2.359
  219    HD2  HIS 480           2HD      HIS 480  -5.702  -1.519   0.154
  220    HE1  HIS 480           1HE      HIS 480  -8.830   0.592  -1.762
  221    HE2  HIS 480           2HE      HIS 480  -6.348   0.079  -1.785
  222    H    ASN 481           H        ASN 481  -6.362  -3.616   4.546
  223    HA   ASN 481           HA       ASN 481  -8.517  -3.680   6.280
  224   1HB   ASN 481          2HB       ASN 481  -5.750  -4.305   7.277
  225   2HB   ASN 481          1HB       ASN 481  -7.269  -5.110   7.655
  226   1HD2  ASN 481          1HD2      ASN 481  -4.570  -4.961   5.578
  227   2HD2  ASN 481          2HD2      ASN 481  -4.984  -6.294   4.564
  228    H    ILE 482           H        ILE 482  -5.433  -1.965   6.688
  229    HA   ILE 482           HA       ILE 482  -6.781  -0.157   8.572
  230    HB   ILE 482           HB       ILE 482  -4.457  -0.052   9.740
  231   1HG1  ILE 482          2HG1      ILE 482  -4.373  -2.859   8.614
  232   2HG1  ILE 482          1HG1      ILE 482  -3.357  -1.533   8.057
  233   1HG2  ILE 482          1HG2      ILE 482  -6.172  -2.487  10.182
  234   2HG2  ILE 482          2HG2      ILE 482  -6.619  -0.860  10.696
  235   3HG2  ILE 482          3HG2      ILE 482  -5.185  -1.636  11.370
  236   1HD1  ILE 482          1HD1      ILE 482  -3.299  -2.978  10.673
  237   2HD1  ILE 482          2HD1      ILE 482  -2.595  -1.370  10.503
  238   3HD1  ILE 482          3HD1      ILE 482  -1.994  -2.704   9.518
  239    H    LYS 483           H        LYS 483  -5.983  -0.016   5.701
  240    HA   LYS 483           HA       LYS 483  -4.854   1.332   4.225
  241   1HB   LYS 483          2HB       LYS 483  -5.726   3.238   6.394
  242   2HB   LYS 483          1HB       LYS 483  -5.067   3.773   4.855
  243   1HG   LYS 483          2HG       LYS 483  -7.506   3.838   4.876
  244   2HG   LYS 483          1HG       LYS 483  -6.894   2.702   3.672
  245   1HD   LYS 483          2HD       LYS 483  -7.692   0.884   4.783
  246   2HD   LYS 483          1HD       LYS 483  -7.478   1.625   6.370
  247   1HE   LYS 483          2HE       LYS 483  -9.537   2.558   6.360
  248   2HE   LYS 483          1HE       LYS 483  -9.500   2.875   4.625
  249   1HZ   LYS 483          1HZ       LYS 483 -10.219   0.373   6.022
  250   2HZ   LYS 483          2HZ       LYS 483  -9.765   0.366   4.392
  251   3HZ   LYS 483          3HZ       LYS 483 -11.121   1.247   4.888
  252    H    LYS 484           H        LYS 484  -2.767   0.320   4.603
  253    HA   LYS 484           HA       LYS 484  -0.807   2.274   5.475
  254   1HB   LYS 484          2HB       LYS 484  -1.597   0.400   7.311
  255   2HB   LYS 484          1HB       LYS 484  -0.209  -0.384   6.572
  256   1HG   LYS 484          2HG       LYS 484   0.995   1.859   6.989
  257   2HG   LYS 484          1HG       LYS 484  -0.330   2.175   8.113
  258   1HD   LYS 484          2HD       LYS 484   0.198   0.149   9.342
  259   2HD   LYS 484          1HD       LYS 484   1.467  -0.250   8.184
  260   1HE   LYS 484          2HE       LYS 484   1.552   2.380   9.585
  261   2HE   LYS 484          1HE       LYS 484   2.039   0.929  10.460
  262   1HZ   LYS 484          1HZ       LYS 484   3.183   1.813   7.866
  263   2HZ   LYS 484          2HZ       LYS 484   3.683   0.478   8.776
  264   3HZ   LYS 484          3HZ       LYS 484   3.910   2.042   9.376
  265    H    THR 485           H        THR 485   0.689   2.352   3.947
  266    HA   THR 485           HA       THR 485   1.088   0.020   2.220
  267    HB   THR 485           HB       THR 485   0.704   1.819   0.809
  268    HG1  THR 485           1HG      THR 485   3.500   2.162   1.027
  269   1HG2  THR 485          1HG2      THR 485   0.604   3.685   2.215
  270   2HG2  THR 485          2HG2      THR 485   1.979   4.033   1.167
  271   3HG2  THR 485          3HG2      THR 485   2.248   3.446   2.808
  272    H    GLN 486           H        GLN 486   3.336  -0.377   1.434
  273    HA   GLN 486           HA       GLN 486   5.514   0.447   3.130
  274   1HB   GLN 486          2HB       GLN 486   6.072  -1.991   3.674
  275   2HB   GLN 486          1HB       GLN 486   4.773  -1.241   4.595
  276   1HG   GLN 486          2HG       GLN 486   3.136  -2.470   3.551
  277   2HG   GLN 486          1HG       GLN 486   4.125  -2.766   2.122
  278   1HE2  GLN 486          1HE2      GLN 486   5.463  -4.496   2.061
  279   2HE2  GLN 486          2HE2      GLN 486   5.520  -5.707   3.289
  280    H    TRP 487           H        TRP 487   7.557  -0.116   2.282
  281    HA   TRP 487           HA       TRP 487   7.606  -0.413  -0.554
  282   1HB   TRP 487          2HB       TRP 487   9.593   0.049   1.595
  283   2HB   TRP 487          1HB       TRP 487  10.201  -0.701   0.122
  284    HD1  TRP 487           HD       TRP 487  10.245   2.521   1.465
  285    HE1  TRP 487           1HE      TRP 487  10.056   4.383  -0.302
  286    HE3  TRP 487           3HE      TRP 487   8.431  -0.242  -2.434
  287    HZ2  TRP 487           2HZ      TRP 487   9.246   4.645  -2.993
  288    HZ3  TRP 487           3HZ      TRP 487   7.973   0.890  -4.570
  289    HH2  TRP 487           HH       TRP 487   8.373   3.283  -4.842
  290    H    GLU 488           H        GLU 488   8.539  -2.496   2.156
  291    HA   GLU 488           HA       GLU 488   9.605  -4.601   0.637
  292   1HB   GLU 488          2HB       GLU 488   9.319  -4.056   3.320
  293   2HB   GLU 488          1HB       GLU 488   8.244  -5.430   3.095
  294   1HG   GLU 488          2HG       GLU 488   9.937  -6.866   2.688
  295   2HG   GLU 488          1HG       GLU 488  10.923  -5.649   1.879
  296    H    ASP 489           H        ASP 489   8.683  -6.773   0.378
  297    HA   ASP 489           HA       ASP 489   5.963  -6.584  -0.643
  298   1HB   ASP 489          2HB       ASP 489   8.176  -8.598  -0.975
  299   2HB   ASP 489          1HB       ASP 489   6.533  -8.935  -1.513
  300    HA   PRO 490           HA       PRO 490   4.673  -8.573   3.214
  301   1HB   PRO 490          2HB       PRO 490   2.011  -8.316   2.797
  302   2HB   PRO 490          1HB       PRO 490   3.021  -6.974   3.349
  303   1HG   PRO 490          2HG       PRO 490   2.050  -7.597   0.585
  304   2HG   PRO 490          1HG       PRO 490   2.090  -6.039   1.427
  305   1HD   PRO 490          2HD       PRO 490   3.960  -6.753  -0.390
  306   2HD   PRO 490          1HD       PRO 490   4.337  -5.728   1.009
  307    H    ARG 491           H        ARG 491   3.514  -9.295  -0.028
  308    HA   ARG 491           HA       ARG 491   2.332 -11.804   0.660
  309   1HB   ARG 491          2HB       ARG 491   2.400 -12.138  -1.869
  310   2HB   ARG 491          1HB       ARG 491   1.454 -10.784  -1.267
  311   1HG   ARG 491          2HG       ARG 491   2.975  -9.213  -2.021
  312   2HG   ARG 491          1HG       ARG 491   4.296 -10.382  -2.097
  313   1HD   ARG 491          2HD       ARG 491   1.903 -10.242  -3.926
  314   2HD   ARG 491          1HD       ARG 491   3.564  -9.811  -4.333
  315    HE   ARG 491           HE       ARG 491   3.486 -12.476  -3.441
  316   1HH1  ARG 491          1HH1      ARG 491   2.506 -10.511  -6.144
  317   2HH1  ARG 491          2HH1      ARG 491   2.596 -11.810  -7.286
  318   1HH2  ARG 491          1HH2      ARG 491   3.606 -14.193  -4.935
  319   2HH2  ARG 491          2HH2      ARG 491   3.221 -13.904  -6.599
  320    H    MET 492           H        MET 492   5.552 -10.797   0.226
  321    HA   MET 492           HA       MET 492   6.535 -13.338  -0.735
  322   1HB   MET 492          2HB       MET 492   7.507 -10.811  -0.902
  323   2HB   MET 492          1HB       MET 492   8.434 -11.419   0.463
  324   1HG   MET 492          2HG       MET 492   8.265 -12.760  -2.224
  325   2HG   MET 492          1HG       MET 492   9.570 -11.692  -1.710
  326   1HE   MET 492          1HE       MET 492  11.538 -12.852  -1.747
  327   2HE   MET 492          2HE       MET 492  12.028 -14.146  -0.654
  328   3HE   MET 492          3HE       MET 492  11.610 -12.559  -0.009
  329    H    GLN 493           H        GLN 493   6.208 -11.651   2.318
  330    HA   GLN 493           HA       GLN 493   7.845 -13.449   3.817
  331   1HB   GLN 493          2HB       GLN 493   6.187 -11.102   4.350
  332   2HB   GLN 493          1HB       GLN 493   6.100 -12.304   5.632
  333   1HG   GLN 493          2HG       GLN 493   8.604 -11.029   4.550
  334   2HG   GLN 493          1HG       GLN 493   7.829 -10.678   6.094
  335   1HE2  GLN 493          1HE2      GLN 493  10.464 -11.420   5.969
  336   2HE2  GLN 493          2HE2      GLN 493  10.657 -12.992   6.660
  337    H    ASN 494           H        ASN 494   4.313 -12.967   3.690
  338    HA   ASN 494           HA       ASN 494   2.575 -14.409   3.960
  339   1HB   ASN 494          2HB       ASN 494   4.634 -15.962   2.746
  340   2HB   ASN 494          1HB       ASN 494   3.836 -16.965   3.955
  341   1HD2  ASN 494          1HD2      ASN 494   3.495 -15.261   0.964
  342   2HD2  ASN 494          2HD2      ASN 494   1.956 -15.911   0.529
  343    H    VAL 495           H        VAL 495   5.078 -16.467   5.392
  344    HA   VAL 495           HA       VAL 495   5.322 -17.346   7.477
  345    HB   VAL 495           HB       VAL 495   3.919 -14.958   8.636
  346   1HG1  VAL 495          1HG1      VAL 495   5.521 -15.235  10.426
  347   2HG1  VAL 495          2HG1      VAL 495   6.348 -16.508   9.528
  348   3HG1  VAL 495          3HG1      VAL 495   4.706 -16.768  10.117
  349   1HG2  VAL 495          1HG2      VAL 495   6.130 -13.779   8.547
  350   2HG2  VAL 495          2HG2      VAL 495   5.328 -13.963   6.987
  351   3HG2  VAL 495          3HG2      VAL 495   6.674 -15.018   7.416
  352    H    ALA 496           H        ALA 496   3.834 -19.025   7.063
  353    HA   ALA 496           HA       ALA 496   1.040 -18.746   7.612
  354   1HB   ALA 496          1HB       ALA 496   2.627 -21.312   7.433
  355   2HB   ALA 496          2HB       ALA 496   1.909 -20.466   6.057
  356   3HB   ALA 496          3HB       ALA 496   0.877 -21.138   7.318
  357    H    ILE 497           H        ILE 497  -0.090 -20.115   9.252
  358    HA   ILE 497           HA       ILE 497   1.049 -19.583  11.851
  359    HB   ILE 497           HB       ILE 497  -1.086 -20.368  12.746
  360   1HG1  ILE 497          2HG1      ILE 497  -1.911 -20.873   9.881
  361   2HG1  ILE 497          1HG1      ILE 497  -1.405 -22.149  10.986
  362   1HG2  ILE 497          1HG2      ILE 497  -0.975 -18.067  12.101
  363   2HG2  ILE 497          2HG2      ILE 497  -2.555 -18.692  11.626
  364   3HG2  ILE 497          3HG2      ILE 497  -1.293 -18.472  10.414
  365   1HD1  ILE 497          1HD1      ILE 497  -3.261 -21.685  12.446
  366   2HD1  ILE 497          2HD1      ILE 497  -3.853 -21.938  10.805
  367   3HD1  ILE 497          3HD1      ILE 497  -3.738 -20.303  11.459
  368    H    THR 498           H        THR 498   0.647 -22.304   9.745
  369    HA   THR 498           HA       THR 498   1.439 -24.151  11.889
  370    HB   THR 498           HB       THR 498   0.959 -25.809   9.824
  371    HG1  THR 498           1HG      THR 498  -1.044 -24.893   8.861
  372   1HG2  THR 498          1HG2      THR 498  -1.509 -24.889  11.157
  373   2HG2  THR 498          2HG2      THR 498  -0.178 -25.332  12.225
  374   3HG2  THR 498          3HG2      THR 498  -0.804 -26.503  11.064
  375    H    GLY 499           H        GLY 499   3.276 -25.395  11.737
  376   1HA   GLY 499          2HA       GLY 499   4.969 -25.053   9.361
  377   2HA   GLY 499          1HA       GLY 499   5.626 -24.634  10.937
  378   1H    GLY 605          1HT       GLY 605  16.542  -3.647  -3.140
  379   2H    GLY 605          2HT       GLY 605  15.348  -4.558  -3.916
  380   3H    GLY 605          3HT       GLY 605  16.328  -3.513  -4.813
  381   1HA   GLY 605          1HA       GLY 605  17.236  -5.950  -3.382
  382   2HA   GLY 605          2HA       GLY 605  17.018  -5.807  -5.119
  383    H    SER 606           H        SER 606  19.083  -5.191  -2.440
  384    HA   SER 606           HA       SER 606  21.305  -4.695  -2.341
  385   1HB   SER 606          2HB       SER 606  21.078  -5.875  -4.788
  386   2HB   SER 606          1HB       SER 606  21.705  -4.289  -5.235
  387    HG   SER 606           HG       SER 606  23.373  -5.801  -4.785
  388    H    THR 607           H        THR 607  20.134  -2.894  -5.191
  389    HA   THR 607           HA       THR 607  21.504  -0.515  -4.474
  390    HB   THR 607           HB       THR 607  20.117   0.560  -6.250
  391    HG1  THR 607           1HG      THR 607  18.220  -0.582  -6.196
  392   1HG2  THR 607          1HG2      THR 607  21.755  -0.154  -7.579
  393   2HG2  THR 607          2HG2      THR 607  20.877  -1.663  -7.833
  394   3HG2  THR 607          3HG2      THR 607  22.040  -1.532  -6.515
  395    H    LEU 608           H        LEU 608  18.278  -1.728  -3.850
  396    HA   LEU 608           HA       LEU 608  17.684   0.749  -2.368
  397   1HB   LEU 608          2HB       LEU 608  16.212   0.297  -4.327
  398   2HB   LEU 608          1HB       LEU 608  15.705  -1.195  -3.557
  399    HG   LEU 608           HG       LEU 608  15.354   1.122  -1.824
  400   1HD1  LEU 608          1HD1      LEU 608  13.936   2.424  -3.022
  401   2HD1  LEU 608          2HD1      LEU 608  13.393   1.090  -4.040
  402   3HD1  LEU 608          3HD1      LEU 608  14.949   1.859  -4.351
  403   1HD2  LEU 608          1HD2      LEU 608  14.097  -1.397  -2.477
  404   2HD2  LEU 608          2HD2      LEU 608  12.914  -0.094  -2.354
  405   3HD2  LEU 608          3HD2      LEU 608  13.995  -0.434  -1.002
  406    HA   PRO 609           HA       PRO 609  17.842  -2.803   0.654
  407   1HB   PRO 609          2HB       PRO 609  19.753  -1.850   2.281
  408   2HB   PRO 609          1HB       PRO 609  20.149  -2.713   0.790
  409   1HG   PRO 609          2HG       PRO 609  20.114   0.233   1.322
  410   2HG   PRO 609          1HG       PRO 609  21.308  -0.729   0.432
  411   1HD   PRO 609          2HD       PRO 609  19.333   0.732  -0.775
  412   2HD   PRO 609          1HD       PRO 609  20.064  -0.717  -1.492
  413    H    ILE 610           H        ILE 610  17.918   0.697   1.143
  414    HA   ILE 610           HA       ILE 610  15.743   0.478   3.058
  415    HB   ILE 610           HB       ILE 610  17.074   2.195   4.543
  416   1HG1  ILE 610          2HG1      ILE 610  19.314   0.587   3.298
  417   2HG1  ILE 610          1HG1      ILE 610  19.028   2.308   3.053
  418   1HG2  ILE 610          1HG2      ILE 610  17.366  -0.797   4.592
  419   2HG2  ILE 610          2HG2      ILE 610  16.314   0.231   5.568
  420   3HG2  ILE 610          3HG2      ILE 610  18.053   0.231   5.849
  421   1HD1  ILE 610          1HD1      ILE 610  20.543   2.525   4.684
  422   2HD1  ILE 610          2HD1      ILE 610  20.265   0.897   5.305
  423   3HD1  ILE 610          3HD1      ILE 610  19.170   2.208   5.744
  424    HA   PRO 611           HA       PRO 611  15.102   3.900   0.034
  425   1HB   PRO 611          2HB       PRO 611  12.425   3.559   1.306
  426   2HB   PRO 611          1HB       PRO 611  12.842   3.769  -0.398
  427   1HG   PRO 611          2HG       PRO 611  12.160   1.375   0.533
  428   2HG   PRO 611          1HG       PRO 611  13.464   1.546  -0.658
  429   1HD   PRO 611          2HD       PRO 611  13.630   1.025   2.277
  430   2HD   PRO 611          1HD       PRO 611  14.656   0.417   0.961
  431    H    GLY 612           H        GLY 612  13.378   3.817   3.169
  432   1HA   GLY 612          2HA       GLY 612  14.449   5.497   4.801
  433   2HA   GLY 612          1HA       GLY 612  14.091   6.651   3.527
  434    H    THR 613           H        THR 613  11.736   6.659   2.810
  435    HA   THR 613           HA       THR 613  10.015   6.353   5.181
  436    HB   THR 613           HB       THR 613   8.819   8.315   4.620
  437    HG1  THR 613           1HG      THR 613   8.913   9.272   2.649
  438   1HG2  THR 613          1HG2      THR 613  10.962   8.785   5.677
  439   2HG2  THR 613          2HG2      THR 613  10.555  10.060   4.530
  440   3HG2  THR 613          3HG2      THR 613  11.749   8.836   4.099
  441    HA   PRO 614           HA       PRO 614   7.551   3.520   2.815
  442   1HB   PRO 614          2HB       PRO 614   5.284   4.675   4.352
  443   2HB   PRO 614          1HB       PRO 614   5.793   2.991   4.190
  444   1HG   PRO 614          2HG       PRO 614   6.249   4.340   6.441
  445   2HG   PRO 614          1HG       PRO 614   7.444   3.195   5.804
  446   1HD   PRO 614          2HD       PRO 614   7.437   6.184   5.706
  447   2HD   PRO 614          1HD       PRO 614   8.794   5.064   5.947
  448    HA   PRO 615           HA       PRO 615   5.816   5.702  -0.608
  449   1HB   PRO 615          2HB       PRO 615   3.570   3.749  -0.436
  450   2HB   PRO 615          1HB       PRO 615   4.585   4.179  -1.818
  451   1HG   PRO 615          2HG       PRO 615   4.956   1.881  -0.531
  452   2HG   PRO 615          1HG       PRO 615   6.335   2.824  -1.126
  453   1HD   PRO 615          2HD       PRO 615   5.301   2.526   1.658
  454   2HD   PRO 615          1HD       PRO 615   6.973   2.690   1.084
  455    HA   PRO 616           HA       PRO 616   2.595   8.496   0.509
  456   1HB   PRO 616          2HB       PRO 616   0.896   7.572  -1.747
  457   2HB   PRO 616          1HB       PRO 616   1.485   9.195  -1.371
  458   1HG   PRO 616          2HG       PRO 616   2.550   7.793  -3.370
  459   2HG   PRO 616          1HG       PRO 616   3.564   8.806  -2.325
  460   1HD   PRO 616          2HD       PRO 616   3.207   5.837  -2.320
  461   2HD   PRO 616          1HD       PRO 616   4.679   6.797  -2.062
  462    H    ASN 617           H        ASN 617   1.248   8.269   2.166
  463    HA   ASN 617           HA       ASN 617  -0.008   5.877   2.889
  464   1HB   ASN 617          2HB       ASN 617   0.410   8.344   4.074
  465   2HB   ASN 617          1HB       ASN 617  -1.343   8.261   3.925
  466   1HD2  ASN 617          1HD2      ASN 617  -2.326   6.187   4.679
  467   2HD2  ASN 617          2HD2      ASN 617  -1.679   5.486   6.119
  468    H    TYR 618           H        TYR 618  -2.229   5.291   2.933
  469    HA   TYR 618           HA       TYR 618  -3.601   5.715   0.518
  470   1HB   TYR 618          2HB       TYR 618  -3.956   3.693   1.804
  471   2HB   TYR 618          1HB       TYR 618  -4.581   4.620   3.162
  472    HD1  TYR 618           1HD      TYR 618  -5.274   3.713  -0.371
  473    HD2  TYR 618           2HD      TYR 618  -6.870   5.132   3.308
  474    HE1  TYR 618           1HE      TYR 618  -7.548   3.489  -1.279
  475    HE2  TYR 618           2HE      TYR 618  -9.149   4.910   2.411
  476    HH   TYR 618           HH       TYR 618 -10.195   3.310   0.417
  477    H    ASP 619           H        ASP 619  -3.984   7.150   3.722
  478    HA   ASP 619           HA       ASP 619  -6.349   8.588   3.174
  479   1HB   ASP 619          2HB       ASP 619  -4.137   9.141   5.164
  480   2HB   ASP 619          1HB       ASP 619  -5.689   9.973   5.142
  481    H    SER 620           H        SER 620  -3.031   9.133   2.370
  482    HA   SER 620           HA       SER 620  -3.471  11.928   1.690
  483   1HB   SER 620          2HB       SER 620  -1.265  10.604   2.606
  484   2HB   SER 620          1HB       SER 620  -0.934  10.667   0.875
  485    HG   SER 620           HG       SER 620  -0.451  12.555   2.518
  486    H    LEU 621           H        LEU 621  -3.457   8.829   0.178
  487    HA   LEU 621           HA       LEU 621  -2.916   9.705  -2.481
  488   1HB   LEU 621          2HB       LEU 621  -3.823   7.205  -1.175
  489   2HB   LEU 621          1HB       LEU 621  -4.258   7.403  -2.862
  490    HG   LEU 621           HG       LEU 621  -1.466   7.398  -1.717
  491   1HD1  LEU 621          1HD1      LEU 621  -1.934   5.183  -1.861
  492   2HD1  LEU 621          2HD1      LEU 621  -1.460   5.462  -3.536
  493   3HD1  LEU 621          3HD1      LEU 621  -3.168   5.408  -3.100
  494   1HD2  LEU 621          1HD2      LEU 621  -1.495   7.248  -4.547
  495   2HD2  LEU 621          2HD2      LEU 621  -0.780   8.490  -3.520
  496   3HD2  LEU 621          3HD2      LEU 621  -2.449   8.650  -4.067
  Start of MODEL   11
    1   1H    GLY 450          1HT       GLY 450  12.517 -23.678 -12.504
    2   2H    GLY 450          2HT       GLY 450  12.652 -23.542 -10.823
    3   3H    GLY 450          3HT       GLY 450  12.029 -24.957 -11.509
    4   1HA   GLY 450          1HA       GLY 450  14.041 -25.783 -12.059
    5   2HA   GLY 450          2HA       GLY 450  14.694 -24.182 -12.378
    6    H    SER 451           H        SER 451  14.371 -22.843 -10.072
    7    HA   SER 451           HA       SER 451  15.802 -24.484  -8.087
    8   1HB   SER 451          2HB       SER 451  16.422 -21.722  -7.723
    9   2HB   SER 451          1HB       SER 451  17.508 -23.039  -8.167
   10    HG   SER 451           HG       SER 451  17.214 -22.586 -10.281
   11    HA   PRO 452           HA       PRO 452  12.861 -23.269  -5.041
   12   1HB   PRO 452          2HB       PRO 452  14.379 -22.869  -2.830
   13   2HB   PRO 452          1HB       PRO 452  14.072 -24.474  -3.502
   14   1HG   PRO 452          2HG       PRO 452  16.473 -22.714  -3.821
   15   2HG   PRO 452          1HG       PRO 452  16.397 -24.462  -3.526
   16   1HD   PRO 452          2HD       PRO 452  16.848 -23.414  -5.983
   17   2HD   PRO 452          1HD       PRO 452  15.985 -24.946  -5.741
   18    H    VAL 453           H        VAL 453  12.043 -21.306  -5.746
   19    HA   VAL 453           HA       VAL 453  12.835 -18.995  -4.210
   20    HB   VAL 453           HB       VAL 453  12.887 -18.731  -7.216
   21   1HG1  VAL 453          1HG1      VAL 453  13.421 -16.527  -6.908
   22   2HG1  VAL 453          2HG1      VAL 453  14.149 -16.809  -5.326
   23   3HG1  VAL 453          3HG1      VAL 453  12.393 -16.796  -5.500
   24   1HG2  VAL 453          1HG2      VAL 453  15.337 -18.515  -7.017
   25   2HG2  VAL 453          2HG2      VAL 453  14.762 -20.125  -6.589
   26   3HG2  VAL 453          3HG2      VAL 453  15.222 -18.988  -5.322
   27    H    ASP 454           H        ASP 454  10.990 -19.915  -7.125
   28    HA   ASP 454           HA       ASP 454   8.800 -18.186  -6.305
   29   1HB   ASP 454          2HB       ASP 454   7.786 -18.880  -8.478
   30   2HB   ASP 454          1HB       ASP 454   9.374 -18.141  -8.650
   31    H    SER 455           H        SER 455   8.973 -19.965  -4.389
   32    HA   SER 455           HA       SER 455   7.525 -22.383  -4.859
   33   1HB   SER 455          2HB       SER 455   7.917 -21.085  -2.164
   34   2HB   SER 455          1HB       SER 455   7.771 -22.802  -2.542
   35    HG   SER 455           HG       SER 455   9.909 -22.500  -2.282
   36    H    ASN 456           H        ASN 456   6.725 -19.358  -3.151
   37    HA   ASN 456           HA       ASN 456   3.931 -20.125  -3.001
   38   1HB   ASN 456          2HB       ASN 456   3.631 -18.066  -1.730
   39   2HB   ASN 456          1HB       ASN 456   5.013 -18.959  -1.105
   40   1HD2  ASN 456          1HD2      ASN 456   4.007 -16.208  -3.012
   41   2HD2  ASN 456          2HD2      ASN 456   5.488 -15.329  -2.879
   42    H    ASP 457           H        ASP 457   2.268 -18.439  -3.629
   43    HA   ASP 457           HA       ASP 457   2.810 -16.516  -5.612
   44   1HB   ASP 457          2HB       ASP 457   1.959 -17.623  -7.602
   45   2HB   ASP 457          1HB       ASP 457   3.332 -18.522  -6.964
   46    H    LEU 458           H        LEU 458   1.267 -15.112  -5.131
   47    HA   LEU 458           HA       LEU 458  -1.418 -16.113  -4.469
   48   1HB   LEU 458          2HB       LEU 458   0.015 -13.556  -3.781
   49   2HB   LEU 458          1HB       LEU 458  -1.715 -13.742  -3.568
   50    HG   LEU 458           HG       LEU 458   0.400 -15.423  -2.219
   51   1HD1  LEU 458          1HD1      LEU 458  -1.402 -13.298  -1.070
   52   2HD1  LEU 458          2HD1      LEU 458   0.313 -13.092  -1.420
   53   3HD1  LEU 458          3HD1      LEU 458  -0.203 -14.253  -0.197
   54   1HD2  LEU 458          1HD2      LEU 458  -1.651 -16.064  -0.811
   55   2HD2  LEU 458          2HD2      LEU 458  -1.472 -16.804  -2.402
   56   3HD2  LEU 458          3HD2      LEU 458  -2.599 -15.467  -2.174
   57    H    GLY 459           H        GLY 459   0.376 -13.934  -6.549
   58   1HA   GLY 459          2HA       GLY 459  -0.286 -13.379  -8.743
   59   2HA   GLY 459          1HA       GLY 459  -1.940 -13.792  -8.326
   60    HA   PRO 460           HA       PRO 460  -2.496  -9.371  -8.183
   61   1HB   PRO 460          2HB       PRO 460  -5.043  -9.323  -7.277
   62   2HB   PRO 460          1HB       PRO 460  -4.634  -9.776  -8.936
   63   1HG   PRO 460          2HG       PRO 460  -5.257 -11.532  -6.592
   64   2HG   PRO 460          1HG       PRO 460  -5.808 -11.672  -8.272
   65   1HD   PRO 460          2HD       PRO 460  -3.772 -13.155  -7.259
   66   2HD   PRO 460          1HD       PRO 460  -3.851 -12.665  -8.962
   67    H    LEU 461           H        LEU 461  -0.893 -10.035  -6.173
   68    HA   LEU 461           HA       LEU 461  -0.262  -9.564  -4.040
   69   1HB   LEU 461          2HB       LEU 461  -2.479  -7.602  -3.735
   70   2HB   LEU 461          1HB       LEU 461  -0.793  -7.463  -3.275
   71    HG   LEU 461           HG       LEU 461  -1.628  -7.450  -6.162
   72   1HD1  LEU 461          1HD1      LEU 461  -1.223  -4.970  -4.518
   73   2HD1  LEU 461          2HD1      LEU 461  -2.818  -5.676  -4.782
   74   3HD1  LEU 461          3HD1      LEU 461  -1.864  -5.115  -6.156
   75   1HD2  LEU 461          1HD2      LEU 461   0.837  -7.490  -4.870
   76   2HD2  LEU 461          2HD2      LEU 461   0.620  -5.817  -5.385
   77   3HD2  LEU 461          3HD2      LEU 461   0.532  -7.123  -6.567
   78    HA   PRO 462           HA       PRO 462  -2.667 -11.704  -1.040
   79   1HB   PRO 462          2HB       PRO 462  -2.305  -9.594   0.983
   80   2HB   PRO 462          1HB       PRO 462  -1.725 -11.261   0.985
   81   1HG   PRO 462          2HG       PRO 462  -0.054  -9.192   0.643
   82   2HG   PRO 462          1HG       PRO 462   0.189 -10.739  -0.187
   83   1HD   PRO 462          2HD       PRO 462  -0.954  -8.180  -1.243
   84   2HD   PRO 462          1HD       PRO 462   0.160  -9.321  -2.024
   85    HA   PRO 463           HA       PRO 463  -6.744 -10.073  -0.467
   86   1HB   PRO 463          2HB       PRO 463  -7.509 -10.885   1.986
   87   2HB   PRO 463          1HB       PRO 463  -7.260 -12.022   0.658
   88   1HG   PRO 463          2HG       PRO 463  -5.448 -11.349   2.940
   89   2HG   PRO 463          1HG       PRO 463  -5.810 -12.931   2.228
   90   1HD   PRO 463          2HD       PRO 463  -3.551 -11.494   1.664
   91   2HD   PRO 463          1HD       PRO 463  -4.283 -12.657   0.541
   92    H    GLY 464           H        GLY 464  -7.299  -8.002  -0.218
   93   1HA   GLY 464          2HA       GLY 464  -7.775  -6.028   0.919
   94   2HA   GLY 464          1HA       GLY 464  -7.007  -6.700   2.352
   95    H    TRP 465           H        TRP 465  -5.636  -6.439  -0.874
   96    HA   TRP 465           HA       TRP 465  -3.797  -4.331   0.034
   97   1HB   TRP 465          2HB       TRP 465  -3.074  -7.055  -1.017
   98   2HB   TRP 465          1HB       TRP 465  -1.998  -5.689  -1.274
   99    HD1  TRP 465           HD       TRP 465  -3.326  -7.961   1.494
  100    HE1  TRP 465           1HE      TRP 465  -1.829  -7.660   3.568
  101    HE3  TRP 465           3HE      TRP 465  -0.508  -4.018  -0.112
  102    HZ2  TRP 465           2HZ      TRP 465   0.267  -5.975   4.398
  103    HZ3  TRP 465           3HZ      TRP 465   1.227  -3.118   1.384
  104    HH2  TRP 465           HH       TRP 465   1.603  -4.078   3.598
  105    H    GLU 466           H        GLU 466  -2.531  -3.440  -1.843
  106    HA   GLU 466           HA       GLU 466  -3.755  -3.769  -4.453
  107   1HB   GLU 466          2HB       GLU 466  -4.356  -1.534  -2.668
  108   2HB   GLU 466          1HB       GLU 466  -3.755  -1.017  -4.236
  109   1HG   GLU 466          2HG       GLU 466  -5.574  -2.919  -4.939
  110   2HG   GLU 466          1HG       GLU 466  -6.314  -2.217  -3.501
  111    H    GLU 467           H        GLU 467  -2.441  -3.147  -6.132
  112    HA   GLU 467           HA       GLU 467   0.306  -2.470  -5.385
  113   1HB   GLU 467          2HB       GLU 467   0.925  -3.230  -7.601
  114   2HB   GLU 467          1HB       GLU 467  -0.098  -4.438  -6.839
  115   1HG   GLU 467          2HG       GLU 467  -2.018  -3.243  -8.105
  116   2HG   GLU 467          1HG       GLU 467  -0.716  -2.593  -9.101
  117    H    ARG 468           H        ARG 468   0.503  -0.297  -5.173
  118    HA   ARG 468           HA       ARG 468  -0.604   1.401  -7.305
  119   1HB   ARG 468          2HB       ARG 468   0.032   1.901  -4.421
  120   2HB   ARG 468          1HB       ARG 468   0.013   3.247  -5.550
  121   1HG   ARG 468          2HG       ARG 468  -2.338   1.587  -5.829
  122   2HG   ARG 468          1HG       ARG 468  -2.145   2.186  -4.180
  123   1HD   ARG 468          2HD       ARG 468  -3.446   3.780  -5.394
  124   2HD   ARG 468          1HD       ARG 468  -1.850   4.475  -5.121
  125    HE   ARG 468           HE       ARG 468  -1.473   4.443  -7.389
  126   1HH1  ARG 468          1HH1      ARG 468  -4.304   2.557  -6.647
  127   2HH1  ARG 468          2HH1      ARG 468  -4.791   2.397  -8.302
  128   1HH2  ARG 468          1HH2      ARG 468  -2.105   4.242  -9.572
  129   2HH2  ARG 468          2HH2      ARG 468  -3.540   3.354  -9.964
  130    H    THR 469           H        THR 469   0.683   2.789  -8.454
  131    HA   THR 469           HA       THR 469   3.483   2.134  -8.557
  132    HB   THR 469           HB       THR 469   3.546   3.834 -10.404
  133    HG1  THR 469           1HG      THR 469   1.738   5.084  -9.631
  134   1HG2  THR 469          1HG2      THR 469   3.185   1.501 -10.932
  135   2HG2  THR 469          2HG2      THR 469   2.155   2.495 -11.963
  136   3HG2  THR 469          3HG2      THR 469   1.465   1.653 -10.575
  137    H    HIS 470           H        HIS 470   5.116   3.187  -7.638
  138    HA   HIS 470           HA       HIS 470   4.596   5.442  -5.934
  139   1HB   HIS 470          2HB       HIS 470   6.214   3.572  -5.413
  140   2HB   HIS 470          1HB       HIS 470   7.284   4.255  -6.633
  141    HD2  HIS 470           2HD      HIS 470   9.076   5.928  -5.590
  142    HE1  HIS 470           1HE      HIS 470   6.860   7.068  -2.171
  143    HE2  HIS 470           2HE      HIS 470   8.984   7.459  -3.499
  144    H    THR 471           H        THR 471   6.000   7.395  -6.000
  145    HA   THR 471           HA       THR 471   5.697   8.787  -8.397
  146    HB   THR 471           HB       THR 471   7.702   9.456  -6.236
  147    HG1  THR 471           1HG      THR 471   4.895   9.890  -6.390
  148   1HG2  THR 471          1HG2      THR 471   8.126  11.176  -7.604
  149   2HG2  THR 471          2HG2      THR 471   6.523  11.775  -7.177
  150   3HG2  THR 471          3HG2      THR 471   6.742  10.803  -8.632
  151    H    ASP 472           H        ASP 472   8.255   6.723  -7.301
  152    HA   ASP 472           HA       ASP 472  10.115   7.666  -9.325
  153   1HB   ASP 472          2HB       ASP 472  10.294   5.613  -7.130
  154   2HB   ASP 472          1HB       ASP 472  11.547   5.769  -8.359
  155    H    GLY 473           H        GLY 473   7.519   5.584  -9.333
  156   1HA   GLY 473          2HA       GLY 473   6.907   4.465 -11.356
  157   2HA   GLY 473          1HA       GLY 473   8.612   4.191 -11.677
  158    H    ARG 474           H        ARG 474   8.806   3.425  -8.690
  159    HA   ARG 474           HA       ARG 474   8.455   0.608  -9.134
  160   1HB   ARG 474          2HB       ARG 474   9.424   2.240  -6.793
  161   2HB   ARG 474          1HB       ARG 474   9.219   0.496  -6.689
  162   1HG   ARG 474          2HG       ARG 474  10.882   0.106  -8.320
  163   2HG   ARG 474          1HG       ARG 474  10.925   1.809  -8.783
  164   1HD   ARG 474          2HD       ARG 474  12.059   2.433  -6.853
  165   2HD   ARG 474          1HD       ARG 474  11.577   0.977  -5.982
  166    HE   ARG 474           HE       ARG 474  13.142   0.132  -8.094
  167   1HH1  ARG 474          1HH1      ARG 474  13.515   2.174  -5.298
  168   2HH1  ARG 474          2HH1      ARG 474  15.206   1.845  -5.123
  169   1HH2  ARG 474          1HH2      ARG 474  15.368  -0.310  -7.871
  170   2HH2  ARG 474          2HH2      ARG 474  16.260   0.432  -6.586
  171    H    VAL 475           H        VAL 475   6.661  -0.514  -8.758
  172    HA   VAL 475           HA       VAL 475   4.414   0.728  -7.469
  173    HB   VAL 475           HB       VAL 475   3.958  -0.636  -9.373
  174   1HG1  VAL 475          1HG1      VAL 475   5.809  -2.110  -9.447
  175   2HG1  VAL 475          2HG1      VAL 475   4.383  -3.130  -9.315
  176   3HG1  VAL 475          3HG1      VAL 475   5.399  -2.844  -7.902
  177   1HG2  VAL 475          1HG2      VAL 475   2.378  -0.613  -7.383
  178   2HG2  VAL 475          2HG2      VAL 475   2.948  -2.237  -7.017
  179   3HG2  VAL 475          3HG2      VAL 475   2.138  -1.907  -8.552
  180    H    PHE 476           H        PHE 476   4.260   0.843  -5.346
  181    HA   PHE 476           HA       PHE 476   5.501  -1.171  -3.651
  182   1HB   PHE 476          2HB       PHE 476   5.040   0.346  -1.815
  183   2HB   PHE 476          1HB       PHE 476   5.784   1.239  -3.137
  184    HD1  PHE 476           1HD      PHE 476   2.614   0.558  -1.396
  185    HD2  PHE 476           2HD      PHE 476   4.648   3.008  -4.219
  186    HE1  PHE 476           1HE      PHE 476   0.731   2.144  -1.370
  187    HE2  PHE 476           2HE      PHE 476   2.770   4.599  -4.198
  188    HZ   PHE 476           HZ       PHE 476   0.809   4.168  -2.771
  189    H    PHE 477           H        PHE 477   4.130  -1.674  -1.576
  190    HA   PHE 477           HA       PHE 477   1.518  -2.641  -2.524
  191   1HB   PHE 477          2HB       PHE 477   3.186  -3.668  -0.223
  192   2HB   PHE 477          1HB       PHE 477   1.696  -4.381  -0.825
  193    HD1  PHE 477           1HD      PHE 477   1.756  -5.993  -2.499
  194    HD2  PHE 477           2HD      PHE 477   5.173  -3.550  -1.821
  195    HE1  PHE 477           1HE      PHE 477   3.054  -7.384  -4.060
  196    HE2  PHE 477           2HE      PHE 477   6.478  -4.935  -3.381
  197    HZ   PHE 477           HZ       PHE 477   5.419  -6.854  -4.503
  198    H    ILE 478           H        ILE 478  -0.325  -2.446  -1.223
  199    HA   ILE 478           HA       ILE 478  -0.128  -0.919   1.255
  200    HB   ILE 478           HB       ILE 478  -0.414   0.768  -0.560
  201   1HG1  ILE 478          2HG1      ILE 478  -2.661   0.413   1.421
  202   2HG1  ILE 478          1HG1      ILE 478  -1.224   1.409   1.592
  203   1HG2  ILE 478          1HG2      ILE 478  -2.279   0.873  -1.949
  204   2HG2  ILE 478          2HG2      ILE 478  -3.171  -0.302  -0.983
  205   3HG2  ILE 478          3HG2      ILE 478  -1.807  -0.824  -1.972
  206   1HD1  ILE 478          1HD1      ILE 478  -2.396   3.146   0.862
  207   2HD1  ILE 478          2HD1      ILE 478  -3.790   2.110   0.550
  208   3HD1  ILE 478          3HD1      ILE 478  -2.569   2.344  -0.701
  209    H    ASN 479           H        ASN 479  -1.566  -1.633   2.735
  210    HA   ASN 479           HA       ASN 479  -3.537  -3.593   1.837
  211   1HB   ASN 479          2HB       ASN 479  -3.566  -4.445   4.043
  212   2HB   ASN 479          1HB       ASN 479  -1.878  -4.075   3.709
  213   1HD2  ASN 479          1HD2      ASN 479  -2.723  -4.387   6.269
  214   2HD2  ASN 479          2HD2      ASN 479  -2.709  -2.869   7.090
  215    H    HIS 480           H        HIS 480  -5.711  -3.574   2.708
  216    HA   HIS 480           HA       HIS 480  -6.704  -0.827   3.021
  217   1HB   HIS 480          2HB       HIS 480  -7.894  -3.340   1.905
  218   2HB   HIS 480          1HB       HIS 480  -8.953  -2.066   2.500
  219    HD2  HIS 480           2HD      HIS 480  -5.701  -1.364   0.421
  220    HE1  HIS 480           1HE      HIS 480  -9.105  -0.156  -1.786
  221    HE2  HIS 480           2HE      HIS 480  -6.576  -0.051  -1.639
  222    H    ASN 481           H        ASN 481  -6.308  -3.774   4.725
  223    HA   ASN 481           HA       ASN 481  -8.435  -3.853   6.472
  224   1HB   ASN 481          2HB       ASN 481  -5.626  -4.304   7.454
  225   2HB   ASN 481          1HB       ASN 481  -7.102  -5.139   7.925
  226   1HD2  ASN 481          1HD2      ASN 481  -4.528  -4.936   5.660
  227   2HD2  ASN 481          2HD2      ASN 481  -4.901  -6.369   4.771
  228    H    ILE 482           H        ILE 482  -5.408  -2.032   6.884
  229    HA   ILE 482           HA       ILE 482  -6.857  -0.168   8.632
  230    HB   ILE 482           HB       ILE 482  -4.600   0.035   9.891
  231   1HG1  ILE 482          2HG1      ILE 482  -4.365  -2.779   8.802
  232   2HG1  ILE 482          1HG1      ILE 482  -3.342  -1.423   8.336
  233   1HG2  ILE 482          1HG2      ILE 482  -5.609  -1.053  11.576
  234   2HG2  ILE 482          2HG2      ILE 482  -5.790  -2.538  10.643
  235   3HG2  ILE 482          3HG2      ILE 482  -6.944  -1.220  10.436
  236   1HD1  ILE 482          1HD1      ILE 482  -3.479  -1.966  11.218
  237   2HD1  ILE 482          2HD1      ILE 482  -2.100  -1.555  10.198
  238   3HD1  ILE 482          3HD1      ILE 482  -2.706  -3.211  10.237
  239    H    LYS 483           H        LYS 483  -5.946  -0.148   5.786
  240    HA   LYS 483           HA       LYS 483  -4.813   1.169   4.293
  241   1HB   LYS 483          2HB       LYS 483  -5.443   3.309   6.329
  242   2HB   LYS 483          1HB       LYS 483  -5.205   3.530   4.601
  243   1HG   LYS 483          2HG       LYS 483  -7.524   3.628   4.946
  244   2HG   LYS 483          1HG       LYS 483  -7.213   2.029   4.267
  245   1HD   LYS 483          2HD       LYS 483  -7.784   0.955   6.181
  246   2HD   LYS 483          1HD       LYS 483  -7.157   2.240   7.215
  247   1HE   LYS 483          2HE       LYS 483  -9.599   2.042   7.369
  248   2HE   LYS 483          1HE       LYS 483  -9.101   3.610   6.737
  249   1HZ   LYS 483          1HZ       LYS 483  -9.618   1.549   4.757
  250   2HZ   LYS 483          2HZ       LYS 483 -10.015   3.193   4.738
  251   3HZ   LYS 483          3HZ       LYS 483 -10.972   2.102   5.608
  252    H    LYS 484           H        LYS 484  -2.721   0.283   4.555
  253    HA   LYS 484           HA       LYS 484  -0.804   2.198   5.590
  254   1HB   LYS 484          2HB       LYS 484  -1.486  -0.214   7.013
  255   2HB   LYS 484          1HB       LYS 484   0.196  -0.267   6.502
  256   1HG   LYS 484          2HG       LYS 484   0.751   1.645   7.725
  257   2HG   LYS 484          1HG       LYS 484  -0.938   2.125   7.906
  258   1HD   LYS 484          2HD       LYS 484  -1.286   0.729   9.656
  259   2HD   LYS 484          1HD       LYS 484  -0.206  -0.512   9.016
  260   1HE   LYS 484          2HE       LYS 484   0.534   2.006  10.491
  261   2HE   LYS 484          1HE       LYS 484   0.797   0.337  10.998
  262   1HZ   LYS 484          1HZ       LYS 484   2.848   0.803  10.195
  263   2HZ   LYS 484          2HZ       LYS 484   2.295   1.958   9.087
  264   3HZ   LYS 484          3HZ       LYS 484   2.140   0.310   8.739
  265    H    THR 485           H        THR 485   0.730   2.435   4.124
  266    HA   THR 485           HA       THR 485   1.123   0.353   2.107
  267    HB   THR 485           HB       THR 485   0.814   2.437   1.060
  268    HG1  THR 485           1HG      THR 485   2.768   1.246   0.411
  269   1HG2  THR 485          1HG2      THR 485   2.478   4.358   1.771
  270   2HG2  THR 485          2HG2      THR 485   2.474   3.487   3.304
  271   3HG2  THR 485          3HG2      THR 485   0.963   4.104   2.637
  272    H    GLN 486           H        GLN 486   3.289  -0.284   1.472
  273    HA   GLN 486           HA       GLN 486   5.501   0.350   3.204
  274   1HB   GLN 486          2HB       GLN 486   5.865  -2.095   3.777
  275   2HB   GLN 486          1HB       GLN 486   4.554  -1.287   4.628
  276   1HG   GLN 486          2HG       GLN 486   2.933  -2.481   3.555
  277   2HG   GLN 486          1HG       GLN 486   3.918  -2.734   2.116
  278   1HE2  GLN 486          1HE2      GLN 486   5.452  -4.380   2.102
  279   2HE2  GLN 486          2HE2      GLN 486   5.395  -5.685   3.228
  280    H    TRP 487           H        TRP 487   7.466  -0.120   2.290
  281    HA   TRP 487           HA       TRP 487   7.504  -0.562  -0.523
  282   1HB   TRP 487          2HB       TRP 487   9.524  -0.016   1.591
  283   2HB   TRP 487          1HB       TRP 487  10.099  -0.728   0.089
  284    HD1  TRP 487           HD       TRP 487   9.677   2.527   1.584
  285    HE1  TRP 487           1HE      TRP 487   9.548   4.386  -0.190
  286    HE3  TRP 487           3HE      TRP 487   8.812  -0.354  -2.548
  287    HZ2  TRP 487           2HZ      TRP 487   9.133   4.604  -2.975
  288    HZ3  TRP 487           3HZ      TRP 487   8.560   0.757  -4.729
  289    HH2  TRP 487           HH       TRP 487   8.717   3.185  -4.936
  290    H    GLU 488           H        GLU 488   8.310  -2.532   2.290
  291    HA   GLU 488           HA       GLU 488   9.550  -4.659   0.955
  292   1HB   GLU 488          2HB       GLU 488   8.703  -4.075   3.601
  293   2HB   GLU 488          1HB       GLU 488   8.059  -5.658   3.182
  294   1HG   GLU 488          2HG       GLU 488  10.049  -6.613   3.376
  295   2HG   GLU 488          1HG       GLU 488  10.814  -5.391   2.362
  296    H    ASP 489           H        ASP 489   8.729  -6.807   0.538
  297    HA   ASP 489           HA       ASP 489   6.101  -6.708  -0.712
  298   1HB   ASP 489          2HB       ASP 489   8.066  -8.996  -0.783
  299   2HB   ASP 489          1HB       ASP 489   6.751  -8.665  -1.907
  300    HA   PRO 490           HA       PRO 490   4.630  -8.769   3.057
  301   1HB   PRO 490          2HB       PRO 490   1.983  -8.488   2.475
  302   2HB   PRO 490          1HB       PRO 490   2.956  -7.212   3.216
  303   1HG   PRO 490          2HG       PRO 490   2.130  -7.552   0.365
  304   2HG   PRO 490          1HG       PRO 490   2.210  -6.078   1.341
  305   1HD   PRO 490          2HD       PRO 490   4.116  -6.753  -0.467
  306   2HD   PRO 490          1HD       PRO 490   4.468  -5.824   1.003
  307    H    ARG 491           H        ARG 491   3.566  -9.346  -0.258
  308    HA   ARG 491           HA       ARG 491   2.431 -11.915   0.303
  309   1HB   ARG 491          2HB       ARG 491   2.513 -12.123  -2.243
  310   2HB   ARG 491          1HB       ARG 491   1.523 -10.833  -1.579
  311   1HG   ARG 491          2HG       ARG 491   2.985  -9.178  -2.256
  312   2HG   ARG 491          1HG       ARG 491   4.347 -10.293  -2.380
  313   1HD   ARG 491          2HD       ARG 491   1.991 -10.029  -4.232
  314   2HD   ARG 491          1HD       ARG 491   3.694  -9.759  -4.599
  315    HE   ARG 491           HE       ARG 491   2.306 -12.254  -4.616
  316   1HH1  ARG 491          1HH1      ARG 491   5.406 -10.762  -4.073
  317   2HH1  ARG 491          2HH1      ARG 491   6.306 -12.189  -4.467
  318   1HH2  ARG 491          1HH2      ARG 491   3.480 -14.137  -5.137
  319   2HH2  ARG 491          2HH2      ARG 491   5.210 -14.109  -5.072
  320    H    MET 492           H        MET 492   5.601 -10.734  -0.369
  321    HA   MET 492           HA       MET 492   6.622 -13.310  -1.216
  322   1HB   MET 492          2HB       MET 492   7.409 -10.740  -1.706
  323   2HB   MET 492          1HB       MET 492   8.559 -11.229  -0.470
  324   1HG   MET 492          2HG       MET 492   8.035 -12.741  -3.017
  325   2HG   MET 492          1HG       MET 492   9.361 -11.606  -2.770
  326   1HE   MET 492          1HE       MET 492  11.311 -11.990  -2.186
  327   2HE   MET 492          2HE       MET 492  11.774 -13.591  -2.765
  328   3HE   MET 492          3HE       MET 492  11.982 -13.174  -1.064
  329    H    GLN 493           H        GLN 493   6.218 -11.577   1.728
  330    HA   GLN 493           HA       GLN 493   8.320 -12.838   3.191
  331   1HB   GLN 493          2HB       GLN 493   5.961 -11.145   3.887
  332   2HB   GLN 493          1HB       GLN 493   6.771 -12.036   5.168
  333   1HG   GLN 493          2HG       GLN 493   8.594 -10.570   3.422
  334   2HG   GLN 493          1HG       GLN 493   7.451  -9.545   4.290
  335   1HE2  GLN 493          1HE2      GLN 493  10.088  -9.296   4.812
  336   2HE2  GLN 493          2HE2      GLN 493  10.459  -9.930   6.375
  337    H    ASN 494           H        ASN 494   7.485 -14.994   2.127
  338    HA   ASN 494           HA       ASN 494   6.432 -16.556   4.268
  339   1HB   ASN 494          2HB       ASN 494   4.542 -17.473   2.681
  340   2HB   ASN 494          1HB       ASN 494   4.258 -16.053   3.682
  341   1HD2  ASN 494          1HD2      ASN 494   4.542 -17.288   0.500
  342   2HD2  ASN 494          2HD2      ASN 494   4.178 -15.823  -0.342
  343    H    VAL 495           H        VAL 495   8.339 -17.711   3.995
  344    HA   VAL 495           HA       VAL 495   8.239 -19.757   1.958
  345    HB   VAL 495           HB       VAL 495  10.783 -18.159   2.087
  346   1HG1  VAL 495          1HG1      VAL 495   9.645 -20.231   0.234
  347   2HG1  VAL 495          2HG1      VAL 495  11.131 -20.300   1.182
  348   3HG1  VAL 495          3HG1      VAL 495  11.021 -19.222  -0.210
  349   1HG2  VAL 495          1HG2      VAL 495  10.129 -17.028   0.019
  350   2HG2  VAL 495          2HG2      VAL 495   9.039 -16.619   1.343
  351   3HG2  VAL 495          3HG2      VAL 495   8.535 -17.774   0.110
  352    H    ALA 496           H        ALA 496   8.049 -21.121   3.772
  353    HA   ALA 496           HA       ALA 496  10.520 -22.092   4.783
  354   1HB   ALA 496          1HB       ALA 496   9.628 -19.952   6.212
  355   2HB   ALA 496          2HB       ALA 496  10.667 -21.229   6.847
  356   3HB   ALA 496          3HB       ALA 496   8.924 -21.299   7.108
  357    H    ILE 497           H        ILE 497  10.329 -24.170   5.470
  358    HA   ILE 497           HA       ILE 497   7.816 -25.242   6.381
  359    HB   ILE 497           HB       ILE 497   7.997 -27.091   4.535
  360   1HG1  ILE 497          2HG1      ILE 497   8.641 -25.009   2.599
  361   2HG1  ILE 497          1HG1      ILE 497  10.003 -25.379   3.652
  362   1HG2  ILE 497          1HG2      ILE 497   6.787 -24.844   3.206
  363   2HG2  ILE 497          2HG2      ILE 497   6.409 -24.830   4.929
  364   3HG2  ILE 497          3HG2      ILE 497   6.027 -26.250   3.955
  365   1HD1  ILE 497          1HD1      ILE 497   8.471 -27.362   1.982
  366   2HD1  ILE 497          2HD1      ILE 497   9.814 -27.745   3.059
  367   3HD1  ILE 497          3HD1      ILE 497  10.084 -26.729   1.643
  368    H    THR 498           H        THR 498  11.068 -25.964   5.169
  369    HA   THR 498           HA       THR 498  11.357 -27.904   7.363
  370    HB   THR 498           HB       THR 498  12.436 -28.263   4.560
  371    HG1  THR 498           1HG      THR 498  10.852 -29.751   4.314
  372   1HG2  THR 498          1HG2      THR 498  13.817 -29.817   5.367
  373   2HG2  THR 498          2HG2      THR 498  12.506 -30.593   6.254
  374   3HG2  THR 498          3HG2      THR 498  13.402 -29.265   6.990
  375    H    GLY 499           H        GLY 499  13.128 -27.645   8.581
  376   1HA   GLY 499          2HA       GLY 499  15.407 -26.159   7.477
  377   2HA   GLY 499          1HA       GLY 499  14.659 -25.577   8.958
  378   1H    GLY 605          1HT       GLY 605  20.572   9.895  -0.517
  379   2H    GLY 605          2HT       GLY 605  22.068  10.428   0.065
  380   3H    GLY 605          3HT       GLY 605  21.985   9.054  -0.919
  381   1HA   GLY 605          1HA       GLY 605  21.375  11.843  -1.736
  382   2HA   GLY 605          2HA       GLY 605  22.797  10.918  -2.195
  383    H    SER 606           H        SER 606  22.715  10.112  -4.171
  384    HA   SER 606           HA       SER 606  20.344  10.105  -5.723
  385   1HB   SER 606          2HB       SER 606  22.651  10.390  -6.645
  386   2HB   SER 606          1HB       SER 606  22.944   8.680  -6.326
  387    HG   SER 606           HG       SER 606  20.775   9.583  -7.903
  388    H    THR 607           H        THR 607  21.695   7.817  -3.555
  389    HA   THR 607           HA       THR 607  20.581   5.466  -4.735
  390    HB   THR 607           HB       THR 607  20.923   4.651  -2.229
  391    HG1  THR 607           1HG      THR 607  21.871   6.095  -1.014
  392   1HG2  THR 607          1HG2      THR 607  22.966   3.798  -2.889
  393   2HG2  THR 607          2HG2      THR 607  23.433   5.278  -3.727
  394   3HG2  THR 607          3HG2      THR 607  22.239   4.197  -4.446
  395    H    LEU 608           H        LEU 608  19.813   6.797  -1.523
  396    HA   LEU 608           HA       LEU 608  17.852   7.014  -0.388
  397   1HB   LEU 608          2HB       LEU 608  17.259   8.354  -2.437
  398   2HB   LEU 608          1HB       LEU 608  16.499   6.911  -3.082
  399    HG   LEU 608           HG       LEU 608  15.405   7.278  -0.514
  400   1HD1  LEU 608          1HD1      LEU 608  14.921   9.459  -0.212
  401   2HD1  LEU 608          2HD1      LEU 608  14.831   9.792  -1.942
  402   3HD1  LEU 608          3HD1      LEU 608  16.401   9.690  -1.143
  403   1HD2  LEU 608          1HD2      LEU 608  13.443   8.090  -2.150
  404   2HD2  LEU 608          2HD2      LEU 608  13.915   6.400  -1.970
  405   3HD2  LEU 608          3HD2      LEU 608  14.520   7.344  -3.331
  406    HA   PRO 609           HA       PRO 609  17.164   2.408  -1.116
  407   1HB   PRO 609          2HB       PRO 609  18.231   1.558   1.230
  408   2HB   PRO 609          1HB       PRO 609  19.188   1.770  -0.241
  409   1HG   PRO 609          2HG       PRO 609  18.893   3.602   2.110
  410   2HG   PRO 609          1HG       PRO 609  20.358   3.158   1.213
  411   1HD   PRO 609          2HD       PRO 609  19.057   5.495   0.805
  412   2HD   PRO 609          1HD       PRO 609  19.915   4.642  -0.496
  413    H    ILE 610           H        ILE 610  16.890   4.307   1.883
  414    HA   ILE 610           HA       ILE 610  14.109   3.504   2.129
  415    HB   ILE 610           HB       ILE 610  14.596   3.043   4.666
  416   1HG1  ILE 610          2HG1      ILE 610  17.163   1.967   3.517
  417   2HG1  ILE 610          1HG1      ILE 610  17.082   3.570   4.240
  418   1HG2  ILE 610          1HG2      ILE 610  14.977   0.583   4.107
  419   2HG2  ILE 610          2HG2      ILE 610  14.966   1.081   2.417
  420   3HG2  ILE 610          3HG2      ILE 610  13.544   1.352   3.427
  421   1HD1  ILE 610          1HD1      ILE 610  15.939   2.091   6.185
  422   2HD1  ILE 610          2HD1      ILE 610  17.659   2.471   6.102
  423   3HD1  ILE 610          3HD1      ILE 610  17.068   0.923   5.498
  424    HA   PRO 611           HA       PRO 611  14.655   7.983   3.000
  425   1HB   PRO 611          2HB       PRO 611  11.693   7.628   2.881
  426   2HB   PRO 611          1HB       PRO 611  12.705   8.889   2.166
  427   1HG   PRO 611          2HG       PRO 611  11.710   6.937   0.657
  428   2HG   PRO 611          1HG       PRO 611  13.354   7.546   0.388
  429   1HD   PRO 611          2HD       PRO 611  12.457   5.006   1.666
  430   2HD   PRO 611          1HD       PRO 611  13.897   5.328   0.678
  431    H    GLY 612           H        GLY 612  12.331   5.728   4.465
  432   1HA   GLY 612          2HA       GLY 612  12.850   5.555   6.980
  433   2HA   GLY 612          1HA       GLY 612  12.483   7.273   6.967
  434    H    THR 613           H        THR 613  10.319   7.224   5.156
  435    HA   THR 613           HA       THR 613   8.321   5.757   6.752
  436    HB   THR 613           HB       THR 613   6.746   7.489   6.410
  437    HG1  THR 613           1HG      THR 613   8.602   8.516   4.510
  438   1HG2  THR 613          1HG2      THR 613   9.329   8.091   7.506
  439   2HG2  THR 613          2HG2      THR 613   7.742   8.653   8.029
  440   3HG2  THR 613          3HG2      THR 613   8.631   9.545   6.794
  441    HA   PRO 614           HA       PRO 614   7.197   3.350   3.221
  442   1HB   PRO 614          2HB       PRO 614   4.408   3.859   4.147
  443   2HB   PRO 614          1HB       PRO 614   5.205   2.329   3.762
  444   1HG   PRO 614          2HG       PRO 614   4.792   3.039   6.292
  445   2HG   PRO 614          1HG       PRO 614   6.293   2.228   5.808
  446   1HD   PRO 614          2HD       PRO 614   5.813   5.100   6.461
  447   2HD   PRO 614          1HD       PRO 614   7.240   4.093   6.776
  448    HA   PRO 615           HA       PRO 615   5.901   5.788  -0.210
  449   1HB   PRO 615          2HB       PRO 615   3.538   4.008  -0.577
  450   2HB   PRO 615          1HB       PRO 615   4.781   4.484  -1.740
  451   1HG   PRO 615          2HG       PRO 615   4.807   2.056  -0.655
  452   2HG   PRO 615          1HG       PRO 615   6.317   2.944  -0.929
  453   1HD   PRO 615          2HD       PRO 615   4.823   2.473   1.613
  454   2HD   PRO 615          1HD       PRO 615   6.575   2.551   1.327
  455    HA   PRO 616           HA       PRO 616   2.586   8.628   0.491
  456   1HB   PRO 616          2HB       PRO 616   0.970   7.664  -1.804
  457   2HB   PRO 616          1HB       PRO 616   1.594   9.281  -1.467
  458   1HG   PRO 616          2HG       PRO 616   2.693   7.759  -3.361
  459   2HG   PRO 616          1HG       PRO 616   3.692   8.796  -2.325
  460   1HD   PRO 616          2HD       PRO 616   3.258   5.839  -2.197
  461   2HD   PRO 616          1HD       PRO 616   4.743   6.774  -1.927
  462    H    ASN 617           H        ASN 617   1.161   8.485   2.087
  463    HA   ASN 617           HA       ASN 617  -0.180   6.145   2.833
  464   1HB   ASN 617          2HB       ASN 617   0.333   8.092   4.329
  465   2HB   ASN 617          1HB       ASN 617  -0.977   8.973   3.550
  466   1HD2  ASN 617          1HD2      ASN 617  -0.460   5.749   4.949
  467   2HD2  ASN 617          2HD2      ASN 617  -1.922   5.730   5.870
  468    H    TYR 618           H        TYR 618  -2.417   5.610   2.794
  469    HA   TYR 618           HA       TYR 618  -3.662   5.989   0.301
  470   1HB   TYR 618          2HB       TYR 618  -4.039   4.035   1.807
  471   2HB   TYR 618          1HB       TYR 618  -4.964   5.083   2.878
  472    HD1  TYR 618           1HD      TYR 618  -7.211   4.591   2.750
  473    HD2  TYR 618           2HD      TYR 618  -4.916   4.592  -0.832
  474    HE1  TYR 618           1HE      TYR 618  -9.247   4.125   1.451
  475    HE2  TYR 618           2HE      TYR 618  -6.944   4.127  -2.140
  476    HH   TYR 618           HH       TYR 618  -9.541   2.894  -1.130
  477    H    ASP 619           H        ASP 619  -4.146   7.522   3.441
  478    HA   ASP 619           HA       ASP 619  -6.445   9.010   2.747
  479   1HB   ASP 619          2HB       ASP 619  -5.220   8.545   5.074
  480   2HB   ASP 619          1HB       ASP 619  -4.517  10.121   4.727
  481    H    SER 620           H        SER 620  -3.033   9.516   2.264
  482    HA   SER 620           HA       SER 620  -3.389  12.275   1.435
  483   1HB   SER 620          2HB       SER 620  -1.273  10.887   2.542
  484   2HB   SER 620          1HB       SER 620  -0.795  11.055   0.852
  485    HG   SER 620           HG       SER 620  -0.470  13.101   1.178
  486    H    LEU 621           H        LEU 621  -3.369   9.154   0.005
  487    HA   LEU 621           HA       LEU 621  -2.506   9.917  -2.602
  488   1HB   LEU 621          2HB       LEU 621  -3.665   7.514  -1.329
  489   2HB   LEU 621          1HB       LEU 621  -3.971   7.687  -3.047
  490    HG   LEU 621           HG       LEU 621  -1.248   7.627  -1.742
  491   1HD1  LEU 621          1HD1      LEU 621  -2.514   5.467  -1.807
  492   2HD1  LEU 621          2HD1      LEU 621  -0.990   5.462  -2.695
  493   3HD1  LEU 621          3HD1      LEU 621  -2.518   5.596  -3.565
  494   1HD2  LEU 621          1HD2      LEU 621  -0.521   7.402  -4.167
  495   2HD2  LEU 621          2HD2      LEU 621  -1.045   9.001  -3.639
  496   3HD2  LEU 621          3HD2      LEU 621  -2.129   7.989  -4.591
  Start of MODEL   12
    1   1H    GLY 450          1HT       GLY 450  16.563 -12.531   0.267
    2   2H    GLY 450          2HT       GLY 450  16.758 -11.606  -1.135
    3   3H    GLY 450          3HT       GLY 450  17.229 -10.978   0.364
    4   1HA   GLY 450          1HA       GLY 450  19.207 -11.629  -0.722
    5   2HA   GLY 450          2HA       GLY 450  18.887 -12.807   0.542
    6    H    SER 451           H        SER 451  16.625 -13.904  -1.117
    7    HA   SER 451           HA       SER 451  17.714 -14.912  -3.533
    8   1HB   SER 451          2HB       SER 451  18.071 -17.241  -2.880
    9   2HB   SER 451          1HB       SER 451  19.130 -16.182  -1.948
   10    HG   SER 451           HG       SER 451  17.676 -17.953  -0.912
   11    HA   PRO 452           HA       PRO 452  13.176 -15.320  -3.260
   12   1HB   PRO 452          2HB       PRO 452  12.657 -14.550  -5.781
   13   2HB   PRO 452          1HB       PRO 452  13.029 -13.380  -4.508
   14   1HG   PRO 452          2HG       PRO 452  14.816 -14.490  -6.639
   15   2HG   PRO 452          1HG       PRO 452  14.658 -12.817  -6.071
   16   1HD   PRO 452          2HD       PRO 452  16.651 -14.502  -5.266
   17   2HD   PRO 452          1HD       PRO 452  16.032 -13.172  -4.268
   18    H    VAL 453           H        VAL 453  14.140 -17.666  -3.174
   19    HA   VAL 453           HA       VAL 453  14.113 -19.111  -5.663
   20    HB   VAL 453           HB       VAL 453  13.992 -20.340  -2.915
   21   1HG1  VAL 453          1HG1      VAL 453  15.081 -22.210  -3.938
   22   2HG1  VAL 453          2HG1      VAL 453  15.306 -21.321  -5.444
   23   3HG1  VAL 453          3HG1      VAL 453  13.684 -21.781  -4.925
   24   1HG2  VAL 453          1HG2      VAL 453  16.666 -20.210  -3.914
   25   2HG2  VAL 453          2HG2      VAL 453  16.015 -19.583  -2.400
   26   3HG2  VAL 453          3HG2      VAL 453  15.989 -18.582  -3.851
   27    H    ASP 454           H        ASP 454  12.051 -19.103  -2.755
   28    HA   ASP 454           HA       ASP 454   9.760 -19.776  -4.441
   29   1HB   ASP 454          2HB       ASP 454   9.013 -21.486  -2.780
   30   2HB   ASP 454          1HB       ASP 454  10.479 -21.937  -3.646
   31    H    SER 455           H        SER 455   7.760 -19.116  -3.612
   32    HA   SER 455           HA       SER 455   7.479 -17.992  -1.006
   33   1HB   SER 455          2HB       SER 455   7.340 -15.687  -1.499
   34   2HB   SER 455          1HB       SER 455   8.790 -16.230  -2.342
   35    HG   SER 455           HG       SER 455   6.599 -15.088  -3.358
   36    H    ASN 456           H        ASN 456   6.157 -19.895  -2.766
   37    HA   ASN 456           HA       ASN 456   4.071 -20.529  -3.422
   38   1HB   ASN 456          2HB       ASN 456   3.771 -18.932  -1.024
   39   2HB   ASN 456          1HB       ASN 456   2.345 -18.800  -2.051
   40   1HD2  ASN 456          1HD2      ASN 456   4.563 -21.507  -1.545
   41   2HD2  ASN 456          2HD2      ASN 456   3.366 -22.605  -0.957
   42    H    ASP 457           H        ASP 457   1.927 -19.712  -4.349
   43    HA   ASP 457           HA       ASP 457   2.440 -17.295  -5.957
   44   1HB   ASP 457          2HB       ASP 457   1.049 -19.864  -6.734
   45   2HB   ASP 457          1HB       ASP 457   1.003 -18.398  -7.709
   46    H    LEU 458           H        LEU 458   1.134 -15.686  -5.423
   47    HA   LEU 458           HA       LEU 458  -1.517 -16.308  -4.317
   48   1HB   LEU 458          2HB       LEU 458   0.324 -13.954  -4.043
   49   2HB   LEU 458          1HB       LEU 458  -1.388 -13.793  -3.696
   50    HG   LEU 458           HG       LEU 458   0.523 -15.676  -2.310
   51   1HD1  LEU 458          1HD1      LEU 458   0.114 -14.236  -0.358
   52   2HD1  LEU 458          2HD1      LEU 458  -0.819 -13.142  -1.379
   53   3HD1  LEU 458          3HD1      LEU 458   0.904 -13.372  -1.676
   54   1HD2  LEU 458          1HD2      LEU 458  -2.438 -15.323  -2.198
   55   2HD2  LEU 458          2HD2      LEU 458  -1.560 -15.773  -0.735
   56   3HD2  LEU 458          3HD2      LEU 458  -1.478 -16.802  -2.164
   57    H    GLY 459           H        GLY 459   0.155 -14.482  -6.808
   58   1HA   GLY 459          2HA       GLY 459  -0.765 -14.034  -8.934
   59   2HA   GLY 459          1HA       GLY 459  -2.371 -14.245  -8.261
   60    HA   PRO 460           HA       PRO 460  -2.365  -9.778  -8.338
   61   1HB   PRO 460          2HB       PRO 460  -4.913  -9.371  -7.640
   62   2HB   PRO 460          1HB       PRO 460  -4.494 -10.074  -9.208
   63   1HG   PRO 460          2HG       PRO 460  -5.465 -11.424  -6.724
   64   2HG   PRO 460          1HG       PRO 460  -5.906 -11.732  -8.412
   65   1HD   PRO 460          2HD       PRO 460  -4.072 -13.213  -6.965
   66   2HD   PRO 460          1HD       PRO 460  -4.130 -13.126  -8.736
   67    H    LEU 461           H        LEU 461  -0.910 -10.380  -6.260
   68    HA   LEU 461           HA       LEU 461  -0.304  -9.770  -4.154
   69   1HB   LEU 461          2HB       LEU 461  -2.650  -7.913  -4.024
   70   2HB   LEU 461          1HB       LEU 461  -1.048  -7.715  -3.339
   71    HG   LEU 461           HG       LEU 461  -1.748  -7.526  -6.271
   72   1HD1  LEU 461          1HD1      LEU 461  -2.121  -5.660  -4.267
   73   2HD1  LEU 461          2HD1      LEU 461  -2.018  -5.333  -5.998
   74   3HD1  LEU 461          3HD1      LEU 461  -0.578  -5.203  -4.988
   75   1HD2  LEU 461          1HD2      LEU 461   0.536  -8.449  -5.691
   76   2HD2  LEU 461          2HD2      LEU 461   0.883  -6.882  -4.960
   77   3HD2  LEU 461          3HD2      LEU 461   0.517  -6.990  -6.682
   78    HA   PRO 462           HA       PRO 462  -2.690 -11.937  -1.149
   79   1HB   PRO 462          2HB       PRO 462  -2.339  -9.877   0.906
   80   2HB   PRO 462          1HB       PRO 462  -1.665 -11.506   0.831
   81   1HG   PRO 462          2HG       PRO 462  -0.136  -9.313   0.512
   82   2HG   PRO 462          1HG       PRO 462   0.195 -10.827  -0.348
   83   1HD   PRO 462          2HD       PRO 462  -1.158  -8.342  -1.337
   84   2HD   PRO 462          1HD       PRO 462   0.042  -9.370  -2.153
   85    HA   PRO 463           HA       PRO 463  -6.766 -10.323  -0.506
   86   1HB   PRO 463          2HB       PRO 463  -7.493 -11.160   1.952
   87   2HB   PRO 463          1HB       PRO 463  -7.262 -12.283   0.608
   88   1HG   PRO 463          2HG       PRO 463  -5.424 -11.635   2.876
   89   2HG   PRO 463          1HG       PRO 463  -5.784 -13.207   2.140
   90   1HD   PRO 463          2HD       PRO 463  -3.541 -11.734   1.579
   91   2HD   PRO 463          1HD       PRO 463  -4.265 -12.899   0.454
   92    H    GLY 464           H        GLY 464  -7.297  -8.246  -0.248
   93   1HA   GLY 464          2HA       GLY 464  -7.780  -6.292   0.933
   94   2HA   GLY 464          1HA       GLY 464  -6.966  -6.969   2.337
   95    H    TRP 465           H        TRP 465  -5.672  -6.681  -0.924
   96    HA   TRP 465           HA       TRP 465  -3.875  -4.532  -0.057
   97   1HB   TRP 465          2HB       TRP 465  -3.070  -7.263  -1.015
   98   2HB   TRP 465          1HB       TRP 465  -2.026  -5.878  -1.308
   99    HD1  TRP 465           HD       TRP 465  -3.361  -8.054   1.540
  100    HE1  TRP 465           1HE      TRP 465  -1.884  -7.658   3.610
  101    HE3  TRP 465           3HE      TRP 465  -0.542  -4.170  -0.212
  102    HZ2  TRP 465           2HZ      TRP 465   0.201  -5.932   4.384
  103    HZ3  TRP 465           3HZ      TRP 465   1.176  -3.202   1.263
  104    HH2  TRP 465           HH       TRP 465   1.537  -4.065   3.517
  105    H    GLU 466           H        GLU 466  -2.640  -3.615  -1.909
  106    HA   GLU 466           HA       GLU 466  -3.769  -4.055  -4.547
  107   1HB   GLU 466          2HB       GLU 466  -4.557  -1.836  -2.842
  108   2HB   GLU 466          1HB       GLU 466  -3.842  -1.278  -4.346
  109   1HG   GLU 466          2HG       GLU 466  -5.600  -1.922  -5.567
  110   2HG   GLU 466          1HG       GLU 466  -5.791  -3.432  -4.679
  111    H    GLU 467           H        GLU 467  -2.459  -3.322  -6.217
  112    HA   GLU 467           HA       GLU 467   0.265  -2.646  -5.405
  113   1HB   GLU 467          2HB       GLU 467   0.906  -3.291  -7.668
  114   2HB   GLU 467          1HB       GLU 467  -0.045  -4.560  -6.909
  115   1HG   GLU 467          2HG       GLU 467  -2.034  -3.358  -8.123
  116   2HG   GLU 467          1HG       GLU 467  -0.746  -2.756  -9.165
  117    H    ARG 468           H        ARG 468   0.479  -0.493  -5.126
  118    HA   ARG 468           HA       ARG 468  -0.636   1.295  -7.175
  119   1HB   ARG 468          2HB       ARG 468  -0.225   1.510  -4.289
  120   2HB   ARG 468          1HB       ARG 468   0.357   2.914  -5.172
  121   1HG   ARG 468          2HG       ARG 468  -2.386   1.808  -5.649
  122   2HG   ARG 468          1HG       ARG 468  -2.058   2.925  -4.321
  123   1HD   ARG 468          2HD       ARG 468  -2.671   4.391  -5.977
  124   2HD   ARG 468          1HD       ARG 468  -0.922   4.348  -6.202
  125    HE   ARG 468           HE       ARG 468  -1.247   3.369  -8.243
  126   1HH1  ARG 468          1HH1      ARG 468  -4.178   3.109  -6.383
  127   2HH1  ARG 468          2HH1      ARG 468  -5.118   2.502  -7.704
  128   1HH2  ARG 468          1HH2      ARG 468  -2.474   2.571  -9.993
  129   2HH2  ARG 468          2HH2      ARG 468  -4.149   2.196  -9.759
  130    H    THR 469           H        THR 469   0.645   2.864  -8.178
  131    HA   THR 469           HA       THR 469   3.449   2.123  -8.398
  132    HB   THR 469           HB       THR 469   2.130   2.519 -10.448
  133    HG1  THR 469           1HG      THR 469   4.164   2.907 -10.979
  134   1HG2  THR 469          1HG2      THR 469   0.847   4.323 -10.738
  135   2HG2  THR 469          2HG2      THR 469   2.194   5.404 -10.382
  136   3HG2  THR 469          3HG2      THR 469   1.203   4.769  -9.068
  137    H    HIS 470           H        HIS 470   5.091   3.198  -7.521
  138    HA   HIS 470           HA       HIS 470   4.583   5.460  -5.822
  139   1HB   HIS 470          2HB       HIS 470   6.239   3.584  -5.355
  140   2HB   HIS 470          1HB       HIS 470   7.283   4.330  -6.562
  141    HD2  HIS 470           2HD      HIS 470   8.940   6.189  -5.584
  142    HE1  HIS 470           1HE      HIS 470   6.897   6.871  -1.941
  143    HE2  HIS 470           2HE      HIS 470   8.866   7.560  -3.382
  144    H    THR 471           H        THR 471   5.864   7.459  -5.946
  145    HA   THR 471           HA       THR 471   5.538   8.781  -8.375
  146    HB   THR 471           HB       THR 471   7.679   9.858  -6.664
  147    HG1  THR 471           1HG      THR 471   6.447  10.093  -4.865
  148   1HG2  THR 471          1HG2      THR 471   6.753  11.845  -7.233
  149   2HG2  THR 471          2HG2      THR 471   5.103  11.252  -7.043
  150   3HG2  THR 471          3HG2      THR 471   6.008  10.888  -8.513
  151    H    ASP 472           H        ASP 472   8.144   6.800  -7.256
  152    HA   ASP 472           HA       ASP 472  10.004   7.791  -9.256
  153   1HB   ASP 472          2HB       ASP 472  10.342   5.449  -7.378
  154   2HB   ASP 472          1HB       ASP 472  11.608   6.276  -8.278
  155    H    GLY 473           H        GLY 473   7.513   5.503  -9.140
  156   1HA   GLY 473          2HA       GLY 473   6.887   4.458 -11.234
  157   2HA   GLY 473          1HA       GLY 473   8.596   4.209 -11.557
  158    H    ARG 474           H        ARG 474   8.796   3.439  -8.569
  159    HA   ARG 474           HA       ARG 474   8.489   0.618  -9.017
  160   1HB   ARG 474          2HB       ARG 474   9.233   2.092  -6.480
  161   2HB   ARG 474          1HB       ARG 474   9.417   0.367  -6.766
  162   1HG   ARG 474          2HG       ARG 474  11.398   0.677  -7.704
  163   2HG   ARG 474          1HG       ARG 474  10.728   1.846  -8.842
  164   1HD   ARG 474          2HD       ARG 474  10.835   3.507  -6.886
  165   2HD   ARG 474          1HD       ARG 474  11.897   2.327  -6.120
  166    HE   ARG 474           HE       ARG 474  12.952   2.716  -8.618
  167   1HH1  ARG 474          1HH1      ARG 474  12.183   4.746  -5.894
  168   2HH1  ARG 474          2HH1      ARG 474  13.439   5.891  -6.229
  169   1HH2  ARG 474          1HH2      ARG 474  14.609   4.217  -9.067
  170   2HH2  ARG 474          2HH2      ARG 474  14.819   5.590  -8.032
  171    H    VAL 475           H        VAL 475   6.679  -0.495  -8.704
  172    HA   VAL 475           HA       VAL 475   4.417   0.705  -7.400
  173    HB   VAL 475           HB       VAL 475   4.196  -0.733  -9.402
  174   1HG1  VAL 475          1HG1      VAL 475   4.569  -3.058  -9.379
  175   2HG1  VAL 475          2HG1      VAL 475   4.697  -3.116  -7.618
  176   3HG1  VAL 475          3HG1      VAL 475   5.971  -2.363  -8.572
  177   1HG2  VAL 475          1HG2      VAL 475   2.221  -0.360  -8.179
  178   2HG2  VAL 475          2HG2      VAL 475   2.703  -1.444  -6.879
  179   3HG2  VAL 475          3HG2      VAL 475   2.245  -2.101  -8.453
  180    H    PHE 476           H        PHE 476   4.265   0.768  -5.260
  181    HA   PHE 476           HA       PHE 476   5.496  -1.302  -3.630
  182   1HB   PHE 476          2HB       PHE 476   4.962   0.139  -1.730
  183   2HB   PHE 476          1HB       PHE 476   5.788   1.057  -2.984
  184    HD1  PHE 476           1HD      PHE 476   2.532   0.414  -1.398
  185    HD2  PHE 476           2HD      PHE 476   4.741   2.893  -4.056
  186    HE1  PHE 476           1HE      PHE 476   0.697   2.053  -1.383
  187    HE2  PHE 476           2HE      PHE 476   2.912   4.540  -4.046
  188    HZ   PHE 476           HZ       PHE 476   0.887   4.120  -2.708
  189    H    PHE 477           H        PHE 477   3.933  -1.558  -1.464
  190    HA   PHE 477           HA       PHE 477   1.418  -2.650  -2.546
  191   1HB   PHE 477          2HB       PHE 477   3.181  -3.709  -0.332
  192   2HB   PHE 477          1HB       PHE 477   1.570  -4.330  -0.685
  193    HD1  PHE 477           1HD      PHE 477   1.344  -6.100  -2.140
  194    HD2  PHE 477           2HD      PHE 477   4.839  -3.680  -2.350
  195    HE1  PHE 477           1HE      PHE 477   2.295  -7.626  -3.819
  196    HE2  PHE 477           2HE      PHE 477   5.797  -5.202  -4.030
  197    HZ   PHE 477           HZ       PHE 477   4.523  -7.177  -4.767
  198    H    ILE 478           H        ILE 478  -0.457  -2.505  -1.293
  199    HA   ILE 478           HA       ILE 478  -0.349  -0.928   1.168
  200    HB   ILE 478           HB       ILE 478  -0.738   0.702  -0.662
  201   1HG1  ILE 478          2HG1      ILE 478  -3.058   0.179   1.201
  202   2HG1  ILE 478          1HG1      ILE 478  -1.704   1.270   1.465
  203   1HG2  ILE 478          1HG2      ILE 478  -1.799  -0.785  -2.250
  204   2HG2  ILE 478          2HG2      ILE 478  -2.801   0.636  -1.953
  205   3HG2  ILE 478          3HG2      ILE 478  -3.210  -0.905  -1.200
  206   1HD1  ILE 478          1HD1      ILE 478  -3.554   1.742  -0.839
  207   2HD1  ILE 478          2HD1      ILE 478  -2.569   2.893   0.064
  208   3HD1  ILE 478          3HD1      ILE 478  -4.027   2.217   0.791
  209    H    ASN 479           H        ASN 479  -1.801  -1.619   2.651
  210    HA   ASN 479           HA       ASN 479  -3.614  -3.752   1.821
  211   1HB   ASN 479          2HB       ASN 479  -3.662  -4.461   4.083
  212   2HB   ASN 479          1HB       ASN 479  -1.986  -4.049   3.741
  213   1HD2  ASN 479          1HD2      ASN 479  -2.684  -4.219   6.289
  214   2HD2  ASN 479          2HD2      ASN 479  -2.791  -2.659   7.018
  215    H    HIS 480           H        HIS 480  -5.819  -3.781   2.400
  216    HA   HIS 480           HA       HIS 480  -6.951  -1.094   2.747
  217   1HB   HIS 480          2HB       HIS 480  -7.744  -3.486   1.219
  218   2HB   HIS 480          1HB       HIS 480  -9.067  -2.651   2.027
  219    HD2  HIS 480           2HD      HIS 480  -6.027  -1.047   0.083
  220    HE1  HIS 480           1HE      HIS 480  -9.691   0.289  -1.559
  221    HE2  HIS 480           2HE      HIS 480  -7.179   0.625  -1.530
  222    H    ASN 481           H        ASN 481  -6.004  -3.049   4.887
  223    HA   ASN 481           HA       ASN 481  -8.506  -3.578   6.295
  224   1HB   ASN 481          2HB       ASN 481  -5.770  -4.180   7.381
  225   2HB   ASN 481          1HB       ASN 481  -7.295  -4.992   7.719
  226   1HD2  ASN 481          1HD2      ASN 481  -4.507  -4.914   5.793
  227   2HD2  ASN 481          2HD2      ASN 481  -4.908  -6.217   4.735
  228    H    ILE 482           H        ILE 482  -5.474  -1.801   6.743
  229    HA   ILE 482           HA       ILE 482  -6.881  -0.011   8.599
  230    HB   ILE 482           HB       ILE 482  -4.638   0.180   9.832
  231   1HG1  ILE 482          2HG1      ILE 482  -4.261  -2.483   8.446
  232   2HG1  ILE 482          1HG1      ILE 482  -3.275  -1.042   8.216
  233   1HG2  ILE 482          1HG2      ILE 482  -5.619  -1.018  11.438
  234   2HG2  ILE 482          2HG2      ILE 482  -5.574  -2.497  10.477
  235   3HG2  ILE 482          3HG2      ILE 482  -6.890  -1.343  10.260
  236   1HD1  ILE 482          1HD1      ILE 482  -1.950  -2.175   9.659
  237   2HD1  ILE 482          2HD1      ILE 482  -3.304  -2.990  10.441
  238   3HD1  ILE 482          3HD1      ILE 482  -2.946  -1.307  10.827
  239    H    LYS 483           H        LYS 483  -6.086   0.115   5.730
  240    HA   LYS 483           HA       LYS 483  -5.014   1.481   4.233
  241   1HB   LYS 483          2HB       LYS 483  -5.849   3.398   6.410
  242   2HB   LYS 483          1HB       LYS 483  -5.241   3.921   4.846
  243   1HG   LYS 483          2HG       LYS 483  -7.680   3.966   4.942
  244   2HG   LYS 483          1HG       LYS 483  -7.094   2.828   3.728
  245   1HD   LYS 483          2HD       LYS 483  -7.710   0.977   4.983
  246   2HD   LYS 483          1HD       LYS 483  -7.713   1.880   6.498
  247   1HE   LYS 483          2HE       LYS 483  -9.969   1.618   6.101
  248   2HE   LYS 483          1HE       LYS 483  -9.661   3.204   5.393
  249   1HZ   LYS 483          1HZ       LYS 483 -10.704   2.309   3.636
  250   2HZ   LYS 483          2HZ       LYS 483 -10.395   0.713   4.106
  251   3HZ   LYS 483          3HZ       LYS 483  -9.201   1.605   3.306
  252    H    LYS 484           H        LYS 484  -2.912   0.474   4.601
  253    HA   LYS 484           HA       LYS 484  -0.960   2.456   5.436
  254   1HB   LYS 484          2HB       LYS 484  -1.668   0.749   7.355
  255   2HB   LYS 484          1HB       LYS 484  -0.502  -0.274   6.528
  256   1HG   LYS 484          2HG       LYS 484   1.058   1.787   6.712
  257   2HG   LYS 484          1HG       LYS 484  -0.067   2.303   7.969
  258   1HD   LYS 484          2HD       LYS 484   0.916  -0.492   8.088
  259   2HD   LYS 484          1HD       LYS 484   2.067   0.787   8.484
  260   1HE   LYS 484          2HE       LYS 484  -0.009   1.634   9.930
  261   2HE   LYS 484          1HE       LYS 484  -0.378  -0.090   9.912
  262   1HZ   LYS 484          1HZ       LYS 484   2.084  -0.323  10.601
  263   2HZ   LYS 484          2HZ       LYS 484   0.944   0.123  11.768
  264   3HZ   LYS 484          3HZ       LYS 484   1.945   1.296  11.073
  265    H    THR 485           H        THR 485   0.586   2.533   3.960
  266    HA   THR 485           HA       THR 485   0.917   0.279   2.124
  267    HB   THR 485           HB       THR 485   0.650   2.269   0.902
  268    HG1  THR 485           1HG      THR 485   3.480   2.076   1.088
  269   1HG2  THR 485          1HG2      THR 485   0.847   4.051   2.355
  270   2HG2  THR 485          2HG2      THR 485   2.335   4.215   1.421
  271   3HG2  THR 485          3HG2      THR 485   2.375   3.476   3.022
  272    H    GLN 486           H        GLN 486   3.210  -0.149   1.369
  273    HA   GLN 486           HA       GLN 486   5.322   0.413   3.246
  274   1HB   GLN 486          2HB       GLN 486   5.754  -2.082   3.589
  275   2HB   GLN 486          1HB       GLN 486   4.423  -1.372   4.495
  276   1HG   GLN 486          2HG       GLN 486   2.818  -2.435   3.234
  277   2HG   GLN 486          1HG       GLN 486   3.893  -2.635   1.851
  278   1HE2  GLN 486          1HE2      GLN 486   5.265  -4.363   1.763
  279   2HE2  GLN 486          2HE2      GLN 486   5.166  -5.697   2.852
  280    H    TRP 487           H        TRP 487   7.347   0.071   2.385
  281    HA   TRP 487           HA       TRP 487   7.510  -0.123  -0.452
  282   1HB   TRP 487          2HB       TRP 487   9.339   0.438   1.779
  283   2HB   TRP 487          1HB       TRP 487  10.099  -0.383   0.420
  284    HD1  TRP 487           HD       TRP 487  10.062   2.885   1.541
  285    HE1  TRP 487           1HE      TRP 487   9.978   4.649  -0.330
  286    HE3  TRP 487           3HE      TRP 487   8.427  -0.076  -2.294
  287    HZ2  TRP 487           2HZ      TRP 487   9.306   4.771  -3.068
  288    HZ3  TRP 487           3HZ      TRP 487   8.088   0.943  -4.508
  289    HH2  TRP 487           HH       TRP 487   8.519   3.318  -4.885
  290    H    GLU 488           H        GLU 488   8.287  -2.291   2.223
  291    HA   GLU 488           HA       GLU 488   9.564  -4.295   0.719
  292   1HB   GLU 488          2HB       GLU 488   9.221  -3.896   3.348
  293   2HB   GLU 488          1HB       GLU 488   7.965  -5.098   3.088
  294   1HG   GLU 488          2HG       GLU 488   9.454  -6.731   3.045
  295   2HG   GLU 488          1HG       GLU 488  10.388  -5.915   1.792
  296    H    ASP 489           H        ASP 489   8.618  -6.596   0.628
  297    HA   ASP 489           HA       ASP 489   6.055  -6.410  -0.772
  298   1HB   ASP 489          2HB       ASP 489   8.140  -8.600  -0.778
  299   2HB   ASP 489          1HB       ASP 489   6.658  -8.609  -1.729
  300    HA   PRO 490           HA       PRO 490   4.369  -8.380   2.927
  301   1HB   PRO 490          2HB       PRO 490   1.763  -8.186   2.212
  302   2HB   PRO 490          1HB       PRO 490   2.682  -6.823   2.861
  303   1HG   PRO 490          2HG       PRO 490   1.985  -7.458   0.025
  304   2HG   PRO 490          1HG       PRO 490   1.986  -5.895   0.856
  305   1HD   PRO 490          2HD       PRO 490   3.991  -6.713  -0.794
  306   2HD   PRO 490          1HD       PRO 490   4.239  -5.597   0.563
  307    H    ARG 491           H        ARG 491   3.522  -9.199  -0.403
  308    HA   ARG 491           HA       ARG 491   2.353 -11.726   0.247
  309   1HB   ARG 491          2HB       ARG 491   2.711 -12.126  -2.273
  310   2HB   ARG 491          1HB       ARG 491   1.607 -10.847  -1.787
  311   1HG   ARG 491          2HG       ARG 491   3.119  -9.161  -2.366
  312   2HG   ARG 491          1HG       ARG 491   4.483 -10.280  -2.412
  313   1HD   ARG 491          2HD       ARG 491   2.217 -10.025  -4.372
  314   2HD   ARG 491          1HD       ARG 491   3.941  -9.799  -4.663
  315    HE   ARG 491           HE       ARG 491   2.496 -12.272  -4.667
  316   1HH1  ARG 491          1HH1      ARG 491   5.609 -10.808  -4.124
  317   2HH1  ARG 491          2HH1      ARG 491   6.495 -12.252  -4.485
  318   1HH2  ARG 491          1HH2      ARG 491   3.651 -14.177  -5.143
  319   2HH2  ARG 491          2HH2      ARG 491   5.381 -14.169  -5.065
  320    H    MET 492           H        MET 492   5.570 -10.589  -0.279
  321    HA   MET 492           HA       MET 492   6.662 -13.226  -0.779
  322   1HB   MET 492          2HB       MET 492   7.500 -10.650  -1.354
  323   2HB   MET 492          1HB       MET 492   8.578 -11.146  -0.057
  324   1HG   MET 492          2HG       MET 492   8.165 -12.478  -2.717
  325   2HG   MET 492          1HG       MET 492   9.622 -11.690  -2.112
  326   1HE   MET 492          1HE       MET 492  11.219 -12.413  -0.975
  327   2HE   MET 492          2HE       MET 492  11.704 -14.105  -1.084
  328   3HE   MET 492          3HE       MET 492  11.055 -13.470   0.429
  329    H    GLN 493           H        GLN 493   6.206 -11.049   1.898
  330    HA   GLN 493           HA       GLN 493   8.062 -11.965   3.727
  331   1HB   GLN 493          2HB       GLN 493   6.409 -10.053   3.983
  332   2HB   GLN 493          1HB       GLN 493   5.220 -11.261   4.447
  333   1HG   GLN 493          2HG       GLN 493   6.112 -11.552   6.488
  334   2HG   GLN 493          1HG       GLN 493   7.767 -11.376   5.906
  335   1HE2  GLN 493          1HE2      GLN 493   8.117  -9.022   5.006
  336   2HE2  GLN 493          2HE2      GLN 493   7.648  -7.772   6.102
  337    H    ASN 494           H        ASN 494   4.852 -13.290   2.997
  338    HA   ASN 494           HA       ASN 494   5.067 -15.383   4.942
  339   1HB   ASN 494          2HB       ASN 494   3.029 -16.288   3.702
  340   2HB   ASN 494          1HB       ASN 494   2.860 -14.696   4.437
  341   1HD2  ASN 494          1HD2      ASN 494   2.570 -16.502   1.621
  342   2HD2  ASN 494          2HD2      ASN 494   2.314 -15.204   0.511
  343    H    VAL 495           H        VAL 495   5.782 -17.424   4.711
  344    HA   VAL 495           HA       VAL 495   6.716 -19.292   3.801
  345    HB   VAL 495           HB       VAL 495   5.826 -18.267   1.107
  346   1HG1  VAL 495          1HG1      VAL 495   7.393 -20.415   1.720
  347   2HG1  VAL 495          2HG1      VAL 495   6.401 -20.264   0.270
  348   3HG1  VAL 495          3HG1      VAL 495   5.785 -21.137   1.673
  349   1HG2  VAL 495          1HG2      VAL 495   3.721 -19.248   1.407
  350   2HG2  VAL 495          2HG2      VAL 495   4.019 -18.389   2.918
  351   3HG2  VAL 495          3HG2      VAL 495   4.239 -20.138   2.838
  352    H    ALA 496           H        ALA 496   8.549 -17.569   4.443
  353    HA   ALA 496           HA       ALA 496  10.654 -18.022   2.595
  354   1HB   ALA 496          1HB       ALA 496  10.954 -16.036   1.554
  355   2HB   ALA 496          2HB       ALA 496  10.314 -15.103   2.907
  356   3HB   ALA 496          3HB       ALA 496   9.211 -15.914   1.795
  357    H    ILE 497           H        ILE 497   9.516 -16.009   5.279
  358    HA   ILE 497           HA       ILE 497  10.495 -15.349   7.227
  359    HB   ILE 497           HB       ILE 497  12.149 -17.858   6.929
  360   1HG1  ILE 497          2HG1      ILE 497   9.914 -18.157   8.697
  361   2HG1  ILE 497          1HG1      ILE 497   9.330 -17.586   7.136
  362   1HG2  ILE 497          1HG2      ILE 497  11.227 -16.867   9.557
  363   2HG2  ILE 497          2HG2      ILE 497  12.489 -15.934   8.754
  364   3HG2  ILE 497          3HG2      ILE 497  12.744 -17.643   9.102
  365   1HD1  ILE 497          1HD1      ILE 497   9.919 -19.495   6.055
  366   2HD1  ILE 497          2HD1      ILE 497   9.619 -20.160   7.661
  367   3HD1  ILE 497          3HD1      ILE 497  11.271 -19.828   7.136
  368    H    THR 498           H        THR 498  11.503 -13.887   5.286
  369    HA   THR 498           HA       THR 498  14.340 -14.083   4.992
  370    HB   THR 498           HB       THR 498  14.237 -12.042   3.774
  371    HG1  THR 498           1HG      THR 498  12.800 -10.518   4.188
  372   1HG2  THR 498          1HG2      THR 498  11.687 -13.600   3.335
  373   2HG2  THR 498          2HG2      THR 498  13.253 -13.908   2.583
  374   3HG2  THR 498          3HG2      THR 498  12.366 -12.432   2.200
  375    H    GLY 499           H        GLY 499  15.881 -13.379   6.320
  376   1HA   GLY 499          2HA       GLY 499  16.411 -11.185   7.614
  377   2HA   GLY 499          1HA       GLY 499  15.080 -11.737   8.621
  378   1H    GLY 605          1HT       GLY 605  18.593   9.577  -8.528
  379   2H    GLY 605          2HT       GLY 605  17.665   8.270  -9.068
  380   3H    GLY 605          3HT       GLY 605  18.976   8.813  -9.989
  381   1HA   GLY 605          1HA       GLY 605  20.528   7.828  -8.683
  382   2HA   GLY 605          2HA       GLY 605  19.531   7.985  -7.246
  383    H    SER 606           H        SER 606  20.947   5.738  -8.961
  384    HA   SER 606           HA       SER 606  18.672   3.874  -8.969
  385   1HB   SER 606          2HB       SER 606  20.583   4.351 -10.917
  386   2HB   SER 606          1HB       SER 606  21.156   2.875 -10.140
  387    HG   SER 606           HG       SER 606  18.482   3.222 -11.006
  388    H    THR 607           H        THR 607  21.737   4.570  -7.518
  389    HA   THR 607           HA       THR 607  22.353   2.036  -6.464
  390    HB   THR 607           HB       THR 607  23.064   4.411  -4.838
  391    HG1  THR 607           1HG      THR 607  23.835   4.055  -7.550
  392   1HG2  THR 607          1HG2      THR 607  24.258   2.570  -4.160
  393   2HG2  THR 607          2HG2      THR 607  25.372   3.236  -5.354
  394   3HG2  THR 607          3HG2      THR 607  24.327   1.882  -5.783
  395    H    LEU 608           H        LEU 608  20.677   4.805  -4.974
  396    HA   LEU 608           HA       LEU 608  20.172   3.947  -2.465
  397   1HB   LEU 608          2HB       LEU 608  19.393   6.080  -3.401
  398   2HB   LEU 608          1HB       LEU 608  18.150   5.232  -4.301
  399    HG   LEU 608           HG       LEU 608  17.528   4.421  -1.804
  400   1HD1  LEU 608          1HD1      LEU 608  18.916   5.571  -0.417
  401   2HD1  LEU 608          2HD1      LEU 608  17.634   6.771  -0.580
  402   3HD1  LEU 608          3HD1      LEU 608  19.106   6.917  -1.541
  403   1HD2  LEU 608          1HD2      LEU 608  16.675   6.735  -3.472
  404   2HD2  LEU 608          2HD2      LEU 608  16.003   6.555  -1.851
  405   3HD2  LEU 608          3HD2      LEU 608  15.794   5.269  -3.040
  406    HA   PRO 609           HA       PRO 609  18.017   0.062  -3.485
  407   1HB   PRO 609          2HB       PRO 609  18.531  -1.167  -1.139
  408   2HB   PRO 609          1HB       PRO 609  19.737  -1.052  -2.427
  409   1HG   PRO 609          2HG       PRO 609  19.443   0.610   0.046
  410   2HG   PRO 609          1HG       PRO 609  20.913  -0.076  -0.671
  411   1HD   PRO 609          2HD       PRO 609  20.169   2.520  -1.007
  412   2HD   PRO 609          1HD       PRO 609  21.092   1.613  -2.221
  413    H    ILE 610           H        ILE 610  17.789   1.907  -0.471
  414    HA   ILE 610           HA       ILE 610  14.893   1.693  -0.562
  415    HB   ILE 610           HB       ILE 610  15.002   1.207   2.021
  416   1HG1  ILE 610          2HG1      ILE 610  17.412  -0.364   1.123
  417   2HG1  ILE 610          1HG1      ILE 610  17.555   1.205   1.909
  418   1HG2  ILE 610          1HG2      ILE 610  14.906  -1.284   1.511
  419   2HG2  ILE 610          2HG2      ILE 610  15.191  -0.844  -0.172
  420   3HG2  ILE 610          3HG2      ILE 610  13.755  -0.252   0.666
  421   1HD1  ILE 610          1HD1      ILE 610  17.697  -1.010   3.285
  422   2HD1  ILE 610          2HD1      ILE 610  15.937  -0.917   3.221
  423   3HD1  ILE 610          3HD1      ILE 610  16.864   0.403   3.935
  424    HA   PRO 611           HA       PRO 611  15.874   5.977   0.475
  425   1HB   PRO 611          2HB       PRO 611  12.921   6.154   0.627
  426   2HB   PRO 611          1HB       PRO 611  14.065   7.123  -0.309
  427   1HG   PRO 611          2HG       PRO 611  12.502   5.291  -1.480
  428   2HG   PRO 611          1HG       PRO 611  14.158   5.594  -2.035
  429   1HD   PRO 611          2HD       PRO 611  13.087   3.340  -0.398
  430   2HD   PRO 611          1HD       PRO 611  14.346   3.329  -1.648
  431    H    GLY 612           H        GLY 612  13.106   4.384   2.089
  432   1HA   GLY 612          2HA       GLY 612  13.710   3.928   4.547
  433   2HA   GLY 612          1HA       GLY 612  13.957   5.666   4.600
  434    H    THR 613           H        THR 613  12.078   7.031   4.053
  435    HA   THR 613           HA       THR 613   9.864   6.409   5.613
  436    HB   THR 613           HB       THR 613   8.739   8.322   4.537
  437    HG1  THR 613           1HG      THR 613  11.043   8.549   2.888
  438   1HG2  THR 613          1HG2      THR 613   9.964   9.415   6.054
  439   2HG2  THR 613          2HG2      THR 613  11.091   9.783   4.748
  440   3HG2  THR 613          3HG2      THR 613  11.361   8.376   5.777
  441    HA   PRO 614           HA       PRO 614   7.591   3.497   3.125
  442   1HB   PRO 614          2HB       PRO 614   5.236   4.681   4.500
  443   2HB   PRO 614          1HB       PRO 614   5.744   2.993   4.389
  444   1HG   PRO 614          2HG       PRO 614   6.062   4.363   6.650
  445   2HG   PRO 614          1HG       PRO 614   7.293   3.209   6.102
  446   1HD   PRO 614          2HD       PRO 614   7.299   6.196   5.968
  447   2HD   PRO 614          1HD       PRO 614   8.636   5.079   6.313
  448    HA   PRO 615           HA       PRO 615   6.008   5.626  -0.397
  449   1HB   PRO 615          2HB       PRO 615   3.696   3.753  -0.326
  450   2HB   PRO 615          1HB       PRO 615   4.828   4.097  -1.639
  451   1HG   PRO 615          2HG       PRO 615   5.005   1.827  -0.263
  452   2HG   PRO 615          1HG       PRO 615   6.464   2.696  -0.776
  453   1HD   PRO 615          2HD       PRO 615   5.186   2.562   1.925
  454   2HD   PRO 615          1HD       PRO 615   6.908   2.578   1.491
  455    HA   PRO 616           HA       PRO 616   2.784   8.505   0.465
  456   1HB   PRO 616          2HB       PRO 616   1.130   7.509  -1.792
  457   2HB   PRO 616          1HB       PRO 616   1.746   9.136  -1.480
  458   1HG   PRO 616          2HG       PRO 616   2.829   7.611  -3.378
  459   2HG   PRO 616          1HG       PRO 616   3.836   8.659  -2.362
  460   1HD   PRO 616          2HD       PRO 616   3.425   5.701  -2.215
  461   2HD   PRO 616          1HD       PRO 616   4.906   6.648  -1.967
  462    H    ASN 617           H        ASN 617   1.496   8.275   2.172
  463    HA   ASN 617           HA       ASN 617   0.105   5.945   2.857
  464   1HB   ASN 617          2HB       ASN 617   0.777   7.834   4.405
  465   2HB   ASN 617          1HB       ASN 617  -0.611   8.728   3.788
  466   1HD2  ASN 617          1HD2      ASN 617   0.047   5.423   4.917
  467   2HD2  ASN 617          2HD2      ASN 617  -1.319   5.331   5.969
  468    H    TYR 618           H        TYR 618  -2.144   5.493   2.912
  469    HA   TYR 618           HA       TYR 618  -3.506   6.050   0.517
  470   1HB   TYR 618          2HB       TYR 618  -3.923   4.021   1.812
  471   2HB   TYR 618          1HB       TYR 618  -4.576   4.980   3.136
  472    HD1  TYR 618           1HD      TYR 618  -5.197   3.720  -0.257
  473    HD2  TYR 618           2HD      TYR 618  -6.805   5.903   3.022
  474    HE1  TYR 618           1HE      TYR 618  -7.440   3.553  -1.253
  475    HE2  TYR 618           2HE      TYR 618  -9.051   5.742   2.034
  476    HH   TYR 618           HH       TYR 618 -10.287   4.423   0.471
  477    H    ASP 619           H        ASP 619  -3.627   7.534   3.695
  478    HA   ASP 619           HA       ASP 619  -5.982   9.043   3.326
  479   1HB   ASP 619          2HB       ASP 619  -4.223   8.630   5.405
  480   2HB   ASP 619          1HB       ASP 619  -3.935  10.318   4.992
  481    H    SER 620           H        SER 620  -2.725   9.466   2.228
  482    HA   SER 620           HA       SER 620  -3.248  12.227   1.417
  483   1HB   SER 620          2HB       SER 620  -0.982  11.046   2.419
  484   2HB   SER 620          1HB       SER 620  -0.650  11.068   0.687
  485    HG   SER 620           HG       SER 620  -1.142  13.325   0.734
  486    H    LEU 621           H        LEU 621  -3.118   9.032   0.136
  487    HA   LEU 621           HA       LEU 621  -2.581   9.741  -2.575
  488   1HB   LEU 621          2HB       LEU 621  -3.413   7.305  -1.111
  489   2HB   LEU 621          1HB       LEU 621  -3.846   7.376  -2.809
  490    HG   LEU 621           HG       LEU 621  -1.053   7.584  -1.681
  491   1HD1  LEU 621          1HD1      LEU 621  -2.568   5.397  -3.068
  492   2HD1  LEU 621          2HD1      LEU 621  -1.690   5.335  -1.540
  493   3HD1  LEU 621          3HD1      LEU 621  -0.806   5.453  -3.061
  494   1HD2  LEU 621          1HD2      LEU 621  -2.107   7.791  -4.490
  495   2HD2  LEU 621          2HD2      LEU 621  -0.426   7.405  -4.121
  496   3HD2  LEU 621          3HD2      LEU 621  -1.110   8.949  -3.610
  Start of MODEL   13
    1   1H    GLY 450          1HT       GLY 450  15.907 -15.857 -15.016
    2   2H    GLY 450          2HT       GLY 450  16.915 -16.890 -14.135
    3   3H    GLY 450          3HT       GLY 450  16.637 -15.313 -13.590
    4   1HA   GLY 450          1HA       GLY 450  15.283 -16.591 -12.225
    5   2HA   GLY 450          2HA       GLY 450  14.200 -15.945 -13.449
    6    H    SER 451           H        SER 451  13.790 -18.296 -11.852
    7    HA   SER 451           HA       SER 451  12.837 -20.062 -13.799
    8   1HB   SER 451          2HB       SER 451  15.508 -20.378 -13.689
    9   2HB   SER 451          1HB       SER 451  15.034 -21.486 -12.402
   10    HG   SER 451           HG       SER 451  14.213 -22.800 -13.835
   11    HA   PRO 452           HA       PRO 452  11.356 -20.601  -9.414
   12   1HB   PRO 452          2HB       PRO 452   8.814 -19.807  -9.783
   13   2HB   PRO 452          1HB       PRO 452  10.120 -18.650  -9.499
   14   1HG   PRO 452          2HG       PRO 452   8.824 -19.449 -12.076
   15   2HG   PRO 452          1HG       PRO 452   9.286 -17.834 -11.511
   16   1HD   PRO 452          2HD       PRO 452  10.784 -19.311 -13.257
   17   2HD   PRO 452          1HD       PRO 452  11.469 -18.100 -12.156
   18    H    VAL 453           H        VAL 453  10.912 -22.653  -8.940
   19    HA   VAL 453           HA       VAL 453   9.717 -24.420 -10.870
   20    HB   VAL 453           HB       VAL 453  10.365 -25.013  -7.979
   21   1HG1  VAL 453          1HG1      VAL 453   9.515 -27.014  -8.423
   22   2HG1  VAL 453          2HG1      VAL 453  10.770 -27.245  -9.639
   23   3HG1  VAL 453          3HG1      VAL 453   9.213 -26.558 -10.099
   24   1HG2  VAL 453          1HG2      VAL 453  12.262 -24.087  -9.466
   25   2HG2  VAL 453          2HG2      VAL 453  12.180 -25.653 -10.274
   26   3HG2  VAL 453          3HG2      VAL 453  12.547 -25.568  -8.551
   27    H    ASP 454           H        ASP 454   8.869 -23.686  -7.482
   28    HA   ASP 454           HA       ASP 454   6.032 -23.940  -8.234
   29   1HB   ASP 454          2HB       ASP 454   7.047 -25.859  -6.847
   30   2HB   ASP 454          1HB       ASP 454   7.083 -24.705  -5.518
   31    H    SER 455           H        SER 455   8.380 -22.491  -6.029
   32    HA   SER 455           HA       SER 455   8.230 -20.685  -4.594
   33   1HB   SER 455          2HB       SER 455   6.710 -19.314  -6.793
   34   2HB   SER 455          1HB       SER 455   7.993 -18.680  -5.764
   35    HG   SER 455           HG       SER 455   9.478 -19.609  -7.005
   36    H    ASN 456           H        ASN 456   6.296 -18.574  -4.546
   37    HA   ASN 456           HA       ASN 456   3.890 -19.991  -3.614
   38   1HB   ASN 456          2HB       ASN 456   5.338 -17.735  -2.214
   39   2HB   ASN 456          1HB       ASN 456   3.765 -18.364  -1.732
   40   1HD2  ASN 456          1HD2      ASN 456   3.640 -20.544  -0.992
   41   2HD2  ASN 456          2HD2      ASN 456   5.020 -21.302  -0.279
   42    H    ASP 457           H        ASP 457   3.262 -19.301  -5.861
   43    HA   ASP 457           HA       ASP 457   2.827 -16.523  -6.374
   44   1HB   ASP 457          2HB       ASP 457   3.042 -18.567  -8.031
   45   2HB   ASP 457          1HB       ASP 457   1.297 -18.654  -7.812
   46    H    LEU 458           H        LEU 458   1.397 -15.369  -5.266
   47    HA   LEU 458           HA       LEU 458  -0.997 -16.637  -4.194
   48   1HB   LEU 458          2HB       LEU 458   0.397 -14.030  -3.734
   49   2HB   LEU 458          1HB       LEU 458  -1.281 -14.214  -3.259
   50    HG   LEU 458           HG       LEU 458   0.996 -15.936  -2.279
   51   1HD1  LEU 458          1HD1      LEU 458   1.402 -14.011  -1.137
   52   2HD1  LEU 458          2HD1      LEU 458   0.170 -14.708  -0.087
   53   3HD1  LEU 458          3HD1      LEU 458  -0.268 -13.457  -1.251
   54   1HD2  LEU 458          1HD2      LEU 458  -0.570 -17.353  -1.602
   55   2HD2  LEU 458          2HD2      LEU 458  -1.833 -16.319  -2.268
   56   3HD2  LEU 458          3HD2      LEU 458  -1.274 -16.073  -0.613
   57    H    GLY 459           H        GLY 459  -0.025 -14.350  -6.645
   58   1HA   GLY 459          2HA       GLY 459  -1.408 -14.048  -8.591
   59   2HA   GLY 459          1HA       GLY 459  -2.819 -14.269  -7.568
   60    HA   PRO 460           HA       PRO 460  -2.745  -9.761  -8.142
   61   1HB   PRO 460          2HB       PRO 460  -5.296  -9.372  -7.261
   62   2HB   PRO 460          1HB       PRO 460  -4.901  -9.856  -8.914
   63   1HG   PRO 460          2HG       PRO 460  -5.799 -11.542  -6.610
   64   2HG   PRO 460          1HG       PRO 460  -6.307 -11.605  -8.308
   65   1HD   PRO 460          2HD       PRO 460  -4.523 -13.347  -7.278
   66   2HD   PRO 460          1HD       PRO 460  -4.428 -12.781  -8.957
   67    H    LEU 461           H        LEU 461  -1.229 -10.363  -6.127
   68    HA   LEU 461           HA       LEU 461  -0.538  -9.781  -4.041
   69   1HB   LEU 461          2HB       LEU 461  -2.772  -7.827  -3.767
   70   2HB   LEU 461          1HB       LEU 461  -1.088  -7.668  -3.305
   71    HG   LEU 461           HG       LEU 461  -1.946  -7.720  -6.188
   72   1HD1  LEU 461          1HD1      LEU 461  -1.330  -5.159  -4.821
   73   2HD1  LEU 461          2HD1      LEU 461  -2.939  -5.851  -4.610
   74   3HD1  LEU 461          3HD1      LEU 461  -2.344  -5.478  -6.229
   75   1HD2  LEU 461          1HD2      LEU 461   0.509  -6.659  -4.795
   76   2HD2  LEU 461          2HD2      LEU 461   0.197  -6.603  -6.530
   77   3HD2  LEU 461          3HD2      LEU 461   0.411  -8.157  -5.722
   78    HA   PRO 462           HA       PRO 462  -2.897 -11.817  -0.931
   79   1HB   PRO 462          2HB       PRO 462  -2.413  -9.731   1.072
   80   2HB   PRO 462          1HB       PRO 462  -1.817 -11.391   1.018
   81   1HG   PRO 462          2HG       PRO 462  -0.189  -9.291   0.612
   82   2HG   PRO 462          1HG       PRO 462   0.031 -10.827  -0.249
   83   1HD   PRO 462          2HD       PRO 462  -1.245  -8.286  -1.206
   84   2HD   PRO 462          1HD       PRO 462  -0.111  -9.361  -2.052
   85    HA   PRO 463           HA       PRO 463  -6.934 -10.195  -0.180
   86   1HB   PRO 463          2HB       PRO 463  -6.947 -10.885   2.657
   87   2HB   PRO 463          1HB       PRO 463  -7.838 -11.626   1.329
   88   1HG   PRO 463          2HG       PRO 463  -5.809 -12.877   2.623
   89   2HG   PRO 463          1HG       PRO 463  -6.205 -13.180   0.923
   90   1HD   PRO 463          2HD       PRO 463  -4.020 -11.508   2.092
   91   2HD   PRO 463          1HD       PRO 463  -3.993 -12.569   0.670
   92    H    GLY 464           H        GLY 464  -7.356  -8.074  -0.096
   93   1HA   GLY 464          2HA       GLY 464  -7.766  -6.021   0.925
   94   2HA   GLY 464          1HA       GLY 464  -7.012  -6.631   2.391
   95    H    TRP 465           H        TRP 465  -5.682  -6.505  -0.881
   96    HA   TRP 465           HA       TRP 465  -3.800  -4.418  -0.046
   97   1HB   TRP 465          2HB       TRP 465  -3.105  -7.192  -0.959
   98   2HB   TRP 465          1HB       TRP 465  -2.013  -5.853  -1.294
   99    HD1  TRP 465           HD       TRP 465  -3.404  -7.908   1.619
  100    HE1  TRP 465           1HE      TRP 465  -1.892  -7.521   3.665
  101    HE3  TRP 465           3HE      TRP 465  -0.447  -4.186  -0.258
  102    HZ2  TRP 465           2HZ      TRP 465   0.268  -5.861   4.378
  103    HZ3  TRP 465           3HZ      TRP 465   1.324  -3.252   1.176
  104    HH2  TRP 465           HH       TRP 465   1.670  -4.075   3.449
  105    H    GLU 466           H        GLU 466  -2.538  -3.561  -1.905
  106    HA   GLU 466           HA       GLU 466  -3.677  -3.988  -4.540
  107   1HB   GLU 466          2HB       GLU 466  -4.391  -1.726  -2.848
  108   2HB   GLU 466          1HB       GLU 466  -3.701  -1.220  -4.382
  109   1HG   GLU 466          2HG       GLU 466  -5.370  -2.873  -5.432
  110   2HG   GLU 466          1HG       GLU 466  -6.180  -2.806  -3.868
  111    H    GLU 467           H        GLU 467  -2.367  -3.245  -6.226
  112    HA   GLU 467           HA       GLU 467   0.382  -2.651  -5.423
  113   1HB   GLU 467          2HB       GLU 467   1.003  -3.285  -7.683
  114   2HB   GLU 467          1HB       GLU 467  -0.016  -4.531  -6.974
  115   1HG   GLU 467          2HG       GLU 467  -1.941  -3.254  -8.169
  116   2HG   GLU 467          1HG       GLU 467  -0.636  -2.589  -9.151
  117    H    ARG 468           H        ARG 468   0.620  -0.502  -5.097
  118    HA   ARG 468           HA       ARG 468  -0.500   1.352  -7.075
  119   1HB   ARG 468          2HB       ARG 468   0.129   1.511  -4.210
  120   2HB   ARG 468          1HB       ARG 468   0.595   2.934  -5.131
  121   1HG   ARG 468          2HG       ARG 468  -2.156   1.741  -5.277
  122   2HG   ARG 468          1HG       ARG 468  -1.702   2.960  -4.084
  123   1HD   ARG 468          2HD       ARG 468  -2.602   4.235  -5.797
  124   2HD   ARG 468          1HD       ARG 468  -0.873   4.306  -6.132
  125    HE   ARG 468           HE       ARG 468  -1.252   3.197  -8.090
  126   1HH1  ARG 468          1HH1      ARG 468  -4.000   2.745  -5.998
  127   2HH1  ARG 468          2HH1      ARG 468  -4.949   1.940  -7.203
  128   1HH2  ARG 468          1HH2      ARG 468  -2.492   2.138  -9.684
  129   2HH2  ARG 468          2HH2      ARG 468  -4.091   1.595  -9.298
  130    H    THR 469           H        THR 469   0.775   2.864  -8.145
  131    HA   THR 469           HA       THR 469   3.566   2.077  -8.437
  132    HB   THR 469           HB       THR 469   3.389   3.950 -10.289
  133    HG1  THR 469           1HG      THR 469   1.243   4.569  -9.591
  134   1HG2  THR 469          1HG2      THR 469   3.642   2.089 -11.487
  135   2HG2  THR 469          2HG2      THR 469   1.892   1.871 -11.453
  136   3HG2  THR 469          3HG2      THR 469   2.898   1.122 -10.214
  137    H    HIS 470           H        HIS 470   5.211   3.163  -7.584
  138    HA   HIS 470           HA       HIS 470   4.732   5.532  -6.029
  139   1HB   HIS 470          2HB       HIS 470   6.385   3.612  -5.516
  140   2HB   HIS 470          1HB       HIS 470   7.454   4.415  -6.663
  141    HD2  HIS 470           2HD      HIS 470   8.886   6.475  -5.664
  142    HE1  HIS 470           1HE      HIS 470   6.847   6.750  -1.965
  143    HE2  HIS 470           2HE      HIS 470   8.705   7.718  -3.394
  144    H    THR 471           H        THR 471   5.984   7.513  -6.262
  145    HA   THR 471           HA       THR 471   5.734   8.677  -8.780
  146    HB   THR 471           HB       THR 471   7.721   9.698  -6.769
  147    HG1  THR 471           1HG      THR 471   4.898   9.582  -6.567
  148   1HG2  THR 471          1HG2      THR 471   6.088  10.795  -8.983
  149   2HG2  THR 471          2HG2      THR 471   7.702  11.249  -8.432
  150   3HG2  THR 471          3HG2      THR 471   6.279  11.818  -7.558
  151    H    ASP 472           H        ASP 472   8.266   6.723  -7.498
  152    HA   ASP 472           HA       ASP 472  10.230   7.633  -9.435
  153   1HB   ASP 472          2HB       ASP 472  10.308   5.506  -7.291
  154   2HB   ASP 472          1HB       ASP 472  11.649   5.827  -8.388
  155    H    GLY 473           H        GLY 473   7.708   5.360  -9.329
  156   1HA   GLY 473          2HA       GLY 473   7.113   4.278 -11.410
  157   2HA   GLY 473          1HA       GLY 473   8.826   4.027 -11.707
  158    H    ARG 474           H        ARG 474   9.001   3.309  -8.708
  159    HA   ARG 474           HA       ARG 474   8.674   0.481  -9.111
  160   1HB   ARG 474          2HB       ARG 474   9.532   2.078  -6.691
  161   2HB   ARG 474          1HB       ARG 474   9.531   0.322  -6.769
  162   1HG   ARG 474          2HG       ARG 474  11.291   0.258  -8.275
  163   2HG   ARG 474          1HG       ARG 474  11.036   1.927  -8.793
  164   1HD   ARG 474          2HD       ARG 474  11.908   2.776  -6.744
  165   2HD   ARG 474          1HD       ARG 474  11.928   1.169  -6.018
  166    HE   ARG 474           HE       ARG 474  13.548   1.169  -8.316
  167   1HH1  ARG 474          1HH1      ARG 474  13.470   2.440  -5.075
  168   2HH1  ARG 474          2HH1      ARG 474  15.193   2.493  -4.915
  169   1HH2  ARG 474          1HH2      ARG 474  15.822   1.231  -8.115
  170   2HH2  ARG 474          2HH2      ARG 474  16.531   1.806  -6.642
  171    H    VAL 475           H        VAL 475   6.833  -0.579  -8.801
  172    HA   VAL 475           HA       VAL 475   4.608   0.667  -7.477
  173    HB   VAL 475           HB       VAL 475   4.307  -0.749  -9.467
  174   1HG1  VAL 475          1HG1      VAL 475   4.678  -3.077  -9.492
  175   2HG1  VAL 475          2HG1      VAL 475   4.872  -3.158  -7.738
  176   3HG1  VAL 475          3HG1      VAL 475   6.108  -2.390  -8.728
  177   1HG2  VAL 475          1HG2      VAL 475   2.898  -1.549  -6.916
  178   2HG2  VAL 475          2HG2      VAL 475   2.376  -2.110  -8.508
  179   3HG2  VAL 475          3HG2      VAL 475   2.383  -0.391  -8.139
  180    H    PHE 476           H        PHE 476   4.466   0.731  -5.340
  181    HA   PHE 476           HA       PHE 476   5.675  -1.350  -3.711
  182   1HB   PHE 476          2HB       PHE 476   5.106   0.102  -1.803
  183   2HB   PHE 476          1HB       PHE 476   6.016   0.973  -3.034
  184    HD1  PHE 476           1HD      PHE 476   2.925   0.733  -1.203
  185    HD2  PHE 476           2HD      PHE 476   4.846   2.590  -4.512
  186    HE1  PHE 476           1HE      PHE 476   1.156   2.445  -1.261
  187    HE2  PHE 476           2HE      PHE 476   3.084   4.307  -4.577
  188    HZ   PHE 476           HZ       PHE 476   1.236   4.236  -2.951
  189    H    PHE 477           H        PHE 477   4.116  -1.575  -1.538
  190    HA   PHE 477           HA       PHE 477   1.586  -2.650  -2.604
  191   1HB   PHE 477          2HB       PHE 477   3.261  -3.709  -0.317
  192   2HB   PHE 477          1HB       PHE 477   1.717  -4.374  -0.840
  193    HD1  PHE 477           1HD      PHE 477   5.037  -3.479  -2.291
  194    HD2  PHE 477           2HD      PHE 477   1.770  -6.204  -2.218
  195    HE1  PHE 477           1HE      PHE 477   6.211  -4.923  -3.902
  196    HE2  PHE 477           2HE      PHE 477   2.938  -7.653  -3.828
  197    HZ   PHE 477           HZ       PHE 477   5.161  -7.014  -4.672
  198    H    ILE 478           H        ILE 478  -0.277  -2.505  -1.309
  199    HA   ILE 478           HA       ILE 478  -0.130  -0.904   1.131
  200    HB   ILE 478           HB       ILE 478  -0.499   0.698  -0.743
  201   1HG1  ILE 478          2HG1      ILE 478  -2.731   0.303   1.248
  202   2HG1  ILE 478          1HG1      ILE 478  -1.355   1.388   1.373
  203   1HG2  ILE 478          1HG2      ILE 478  -3.079  -0.782  -1.147
  204   2HG2  ILE 478          2HG2      ILE 478  -1.692  -0.818  -2.237
  205   3HG2  ILE 478          3HG2      ILE 478  -2.577   0.685  -1.985
  206   1HD1  ILE 478          1HD1      ILE 478  -2.558   2.326  -0.880
  207   2HD1  ILE 478          2HD1      ILE 478  -2.831   2.956   0.746
  208   3HD1  ILE 478          3HD1      ILE 478  -3.946   1.773   0.059
  209    H    ASN 479           H        ASN 479  -1.655  -1.487   2.618
  210    HA   ASN 479           HA       ASN 479  -3.441  -3.669   1.843
  211   1HB   ASN 479          2HB       ASN 479  -3.549  -4.260   4.142
  212   2HB   ASN 479          1HB       ASN 479  -1.864  -3.875   3.813
  213   1HD2  ASN 479          1HD2      ASN 479  -2.687  -3.906   6.362
  214   2HD2  ASN 479          2HD2      ASN 479  -2.776  -2.303   6.999
  215    H    HIS 480           H        HIS 480  -5.637  -3.715   2.826
  216    HA   HIS 480           HA       HIS 480  -6.786  -1.004   2.947
  217   1HB   HIS 480          2HB       HIS 480  -7.542  -3.362   1.348
  218   2HB   HIS 480          1HB       HIS 480  -8.883  -2.528   2.124
  219    HD2  HIS 480           2HD      HIS 480  -5.758  -1.018   0.232
  220    HE1  HIS 480           1HE      HIS 480  -9.351   0.556  -1.357
  221    HE2  HIS 480           2HE      HIS 480  -6.821   0.738  -1.352
  222    H    ASN 481           H        ASN 481  -5.920  -3.053   5.057
  223    HA   ASN 481           HA       ASN 481  -8.468  -3.593   6.370
  224   1HB   ASN 481          2HB       ASN 481  -5.800  -4.210   7.594
  225   2HB   ASN 481          1HB       ASN 481  -7.329  -5.062   7.778
  226   1HD2  ASN 481          1HD2      ASN 481  -4.534  -4.584   5.786
  227   2HD2  ASN 481          2HD2      ASN 481  -4.772  -5.954   4.763
  228    H    ILE 482           H        ILE 482  -5.446  -1.840   6.987
  229    HA   ILE 482           HA       ILE 482  -6.926  -0.128   8.871
  230    HB   ILE 482           HB       ILE 482  -4.678   0.128  10.080
  231   1HG1  ILE 482          2HG1      ILE 482  -4.185  -2.449   8.574
  232   2HG1  ILE 482          1HG1      ILE 482  -3.255  -0.961   8.441
  233   1HG2  ILE 482          1HG2      ILE 482  -6.777  -1.809  10.317
  234   2HG2  ILE 482          2HG2      ILE 482  -5.862  -0.993  11.584
  235   3HG2  ILE 482          3HG2      ILE 482  -5.257  -2.496  10.890
  236   1HD1  ILE 482          1HD1      ILE 482  -1.926  -2.248   9.800
  237   2HD1  ILE 482          2HD1      ILE 482  -3.299  -2.976  10.634
  238   3HD1  ILE 482          3HD1      ILE 482  -2.841  -1.309  10.980
  239    H    LYS 483           H        LYS 483  -6.260   0.159   6.020
  240    HA   LYS 483           HA       LYS 483  -5.312   1.618   4.536
  241   1HB   LYS 483          2HB       LYS 483  -5.951   3.471   6.836
  242   2HB   LYS 483          1HB       LYS 483  -5.595   3.997   5.197
  243   1HG   LYS 483          2HG       LYS 483  -7.967   4.011   5.527
  244   2HG   LYS 483          1HG       LYS 483  -7.554   2.715   4.401
  245   1HD   LYS 483          2HD       LYS 483  -8.082   1.061   5.896
  246   2HD   LYS 483          1HD       LYS 483  -7.716   2.065   7.300
  247   1HE   LYS 483          2HE       LYS 483  -9.968   2.120   7.482
  248   2HE   LYS 483          1HE       LYS 483  -9.803   3.427   6.311
  249   1HZ   LYS 483          1HZ       LYS 483 -10.261   0.595   5.554
  250   2HZ   LYS 483          2HZ       LYS 483 -10.329   1.950   4.544
  251   3HZ   LYS 483          3HZ       LYS 483 -11.506   1.727   5.739
  252    H    LYS 484           H        LYS 484  -3.197   0.654   4.676
  253    HA   LYS 484           HA       LYS 484  -1.203   2.591   5.509
  254   1HB   LYS 484          2HB       LYS 484  -1.766   0.657   7.308
  255   2HB   LYS 484          1HB       LYS 484  -0.561  -0.179   6.338
  256   1HG   LYS 484          2HG       LYS 484   1.130   1.178   7.010
  257   2HG   LYS 484          1HG       LYS 484   0.074   2.576   7.223
  258   1HD   LYS 484          2HD       LYS 484   0.084   2.174   9.412
  259   2HD   LYS 484          1HD       LYS 484  -0.788   0.673   9.092
  260   1HE   LYS 484          2HE       LYS 484   2.045   0.409   8.555
  261   2HE   LYS 484          1HE       LYS 484   1.743   0.929  10.212
  262   1HZ   LYS 484          1HZ       LYS 484   1.101  -1.108  10.739
  263   2HZ   LYS 484          2HZ       LYS 484   1.535  -1.634   9.192
  264   3HZ   LYS 484          3HZ       LYS 484  -0.052  -1.135   9.502
  265    H    THR 485           H        THR 485   1.025   1.861   4.785
  266    HA   THR 485           HA       THR 485   0.976   0.009   2.528
  267    HB   THR 485           HB       THR 485   0.472   2.135   1.468
  268    HG1  THR 485           1HG      THR 485   2.002   0.662   0.474
  269   1HG2  THR 485          1HG2      THR 485   3.077   3.216   2.521
  270   2HG2  THR 485          2HG2      THR 485   1.540   3.500   3.338
  271   3HG2  THR 485          3HG2      THR 485   1.786   4.086   1.693
  272    H    GLN 486           H        GLN 486   3.228  -0.310   1.628
  273    HA   GLN 486           HA       GLN 486   5.432   0.367   3.354
  274   1HB   GLN 486          2HB       GLN 486   5.994  -2.125   3.633
  275   2HB   GLN 486          1HB       GLN 486   4.742  -1.449   4.667
  276   1HG   GLN 486          2HG       GLN 486   3.033  -2.516   3.511
  277   2HG   GLN 486          1HG       GLN 486   4.034  -2.775   2.085
  278   1HE2  GLN 486          1HE2      GLN 486   5.513  -4.450   2.061
  279   2HE2  GLN 486          2HE2      GLN 486   5.439  -5.755   3.187
  280    H    TRP 487           H        TRP 487   7.439   0.012   2.391
  281    HA   TRP 487           HA       TRP 487   7.435  -0.098  -0.455
  282   1HB   TRP 487          2HB       TRP 487   9.420   0.346   1.682
  283   2HB   TRP 487          1HB       TRP 487  10.064  -0.378   0.212
  284    HD1  TRP 487           HD       TRP 487   9.784   2.868   1.641
  285    HE1  TRP 487           1HE      TRP 487   9.675   4.728  -0.135
  286    HE3  TRP 487           3HE      TRP 487   8.643   0.020  -2.449
  287    HZ2  TRP 487           2HZ      TRP 487   9.170   4.958  -2.901
  288    HZ3  TRP 487           3HZ      TRP 487   8.363   1.139  -4.624
  289    HH2  TRP 487           HH       TRP 487   8.622   3.557  -4.843
  290    H    GLU 488           H        GLU 488   8.359  -2.342   2.107
  291    HA   GLU 488           HA       GLU 488   9.524  -4.321   0.492
  292   1HB   GLU 488          2HB       GLU 488   8.490  -4.134   3.245
  293   2HB   GLU 488          1HB       GLU 488   8.463  -5.753   2.557
  294   1HG   GLU 488          2HG       GLU 488  10.824  -5.679   2.143
  295   2HG   GLU 488          1HG       GLU 488  10.899  -3.989   2.641
  296    H    ASP 489           H        ASP 489   8.497  -6.623   0.440
  297    HA   ASP 489           HA       ASP 489   5.832  -6.332  -0.768
  298   1HB   ASP 489          2HB       ASP 489   7.908  -8.480  -1.234
  299   2HB   ASP 489          1HB       ASP 489   6.363  -8.339  -2.067
  300    HA   PRO 490           HA       PRO 490   4.605  -8.686   2.904
  301   1HB   PRO 490          2HB       PRO 490   1.928  -8.564   2.401
  302   2HB   PRO 490          1HB       PRO 490   2.834  -7.255   3.166
  303   1HG   PRO 490          2HG       PRO 490   1.971  -7.549   0.319
  304   2HG   PRO 490          1HG       PRO 490   1.949  -6.111   1.350
  305   1HD   PRO 490          2HD       PRO 490   3.869  -6.538  -0.505
  306   2HD   PRO 490          1HD       PRO 490   4.190  -5.684   1.018
  307    H    ARG 491           H        ARG 491   3.389  -9.206  -0.378
  308    HA   ARG 491           HA       ARG 491   2.492 -11.875   0.128
  309   1HB   ARG 491          2HB       ARG 491   2.405 -11.973  -2.416
  310   2HB   ARG 491          1HB       ARG 491   1.398 -10.758  -1.640
  311   1HG   ARG 491          2HG       ARG 491   2.705  -9.009  -2.369
  312   2HG   ARG 491          1HG       ARG 491   4.135 -10.024  -2.571
  313   1HD   ARG 491          2HD       ARG 491   1.666 -10.025  -4.302
  314   2HD   ARG 491          1HD       ARG 491   3.252  -9.391  -4.736
  315    HE   ARG 491           HE       ARG 491   3.773 -11.974  -4.144
  316   1HH1  ARG 491          1HH1      ARG 491   1.445 -10.428  -6.222
  317   2HH1  ARG 491          2HH1      ARG 491   1.387 -11.741  -7.351
  318   1HH2  ARG 491          1HH2      ARG 491   3.706 -13.709  -5.624
  319   2HH2  ARG 491          2HH2      ARG 491   2.672 -13.607  -7.010
  320    H    MET 492           H        MET 492   5.503 -10.420  -0.738
  321    HA   MET 492           HA       MET 492   6.670 -12.890  -1.706
  322   1HB   MET 492          2HB       MET 492   7.202 -10.319  -2.296
  323   2HB   MET 492          1HB       MET 492   8.394 -10.572  -1.029
  324   1HG   MET 492          2HG       MET 492   9.320 -10.979  -3.245
  325   2HG   MET 492          1HG       MET 492   9.343 -12.434  -2.250
  326   1HE   MET 492          1HE       MET 492   8.355 -12.199  -6.338
  327   2HE   MET 492          2HE       MET 492   8.961 -10.931  -5.272
  328   3HE   MET 492          3HE       MET 492   7.249 -10.986  -5.692
  329    H    GLN 493           H        GLN 493   6.420 -11.104   1.245
  330    HA   GLN 493           HA       GLN 493   8.469 -12.761   2.526
  331   1HB   GLN 493          2HB       GLN 493   8.523 -10.290   2.854
  332   2HB   GLN 493          1HB       GLN 493   6.958 -10.394   3.648
  333   1HG   GLN 493          2HG       GLN 493   8.619 -10.265   5.332
  334   2HG   GLN 493          1HG       GLN 493   7.990 -11.911   5.328
  335   1HE2  GLN 493          1HE2      GLN 493  10.434 -10.211   3.396
  336   2HE2  GLN 493          2HE2      GLN 493  11.702 -11.346   3.688
  337    H    ASN 494           H        ASN 494   6.556 -14.404   1.954
  338    HA   ASN 494           HA       ASN 494   4.414 -14.476   3.859
  339   1HB   ASN 494          2HB       ASN 494   5.434 -16.497   1.858
  340   2HB   ASN 494          1HB       ASN 494   4.039 -16.781   2.895
  341   1HD2  ASN 494          1HD2      ASN 494   4.368 -16.509  -0.057
  342   2HD2  ASN 494          2HD2      ASN 494   3.214 -15.310  -0.520
  343    H    VAL 495           H        VAL 495   7.146 -16.699   3.276
  344    HA   VAL 495           HA       VAL 495   8.234 -18.152   4.659
  345    HB   VAL 495           HB       VAL 495   7.777 -16.225   6.916
  346   1HG1  VAL 495          1HG1      VAL 495  10.238 -16.828   7.267
  347   2HG1  VAL 495          2HG1      VAL 495   9.959 -18.114   6.094
  348   3HG1  VAL 495          3HG1      VAL 495   9.036 -18.075   7.597
  349   1HG2  VAL 495          1HG2      VAL 495   9.743 -15.828   4.661
  350   2HG2  VAL 495          2HG2      VAL 495   9.597 -14.832   6.109
  351   3HG2  VAL 495          3HG2      VAL 495   8.286 -14.870   4.930
  352    H    ALA 496           H        ALA 496   6.561 -19.732   4.611
  353    HA   ALA 496           HA       ALA 496   5.628 -20.481   7.189
  354   1HB   ALA 496          1HB       ALA 496   3.894 -18.806   5.652
  355   2HB   ALA 496          2HB       ALA 496   3.643 -19.493   7.256
  356   3HB   ALA 496          3HB       ALA 496   3.168 -20.404   5.824
  357    H    ILE 497           H        ILE 497   5.842 -22.612   7.170
  358    HA   ILE 497           HA       ILE 497   5.834 -24.788   6.503
  359    HB   ILE 497           HB       ILE 497   3.860 -23.887   4.403
  360   1HG1  ILE 497          2HG1      ILE 497   2.552 -25.194   6.530
  361   2HG1  ILE 497          1HG1      ILE 497   3.642 -24.028   7.275
  362   1HG2  ILE 497          1HG2      ILE 497   3.366 -26.506   5.360
  363   2HG2  ILE 497          2HG2      ILE 497   5.075 -26.400   4.935
  364   3HG2  ILE 497          3HG2      ILE 497   3.842 -26.002   3.739
  365   1HD1  ILE 497          1HD1      ILE 497   1.876 -22.656   6.997
  366   2HD1  ILE 497          2HD1      ILE 497   1.226 -23.579   5.640
  367   3HD1  ILE 497          3HD1      ILE 497   2.570 -22.465   5.387
  368    H    THR 498           H        THR 498   8.026 -23.636   5.681
  369    HA   THR 498           HA       THR 498   8.357 -23.740   2.816
  370    HB   THR 498           HB       THR 498  10.737 -23.257   3.284
  371    HG1  THR 498           1HG      THR 498  10.847 -24.360   5.321
  372   1HG2  THR 498          1HG2      THR 498   9.679 -21.241   5.032
  373   2HG2  THR 498          2HG2      THR 498   8.515 -21.595   3.757
  374   3HG2  THR 498          3HG2      THR 498  10.157 -21.107   3.340
  375    H    GLY 499           H        GLY 499   9.026 -25.420   1.635
  376   1HA   GLY 499          2HA       GLY 499  10.825 -27.289   1.817
  377   2HA   GLY 499          1HA       GLY 499   9.736 -27.889   3.059
  378   1H    GLY 605          1HT       GLY 605  21.662   4.548  -0.285
  379   2H    GLY 605          2HT       GLY 605  21.528   3.507  -1.612
  380   3H    GLY 605          3HT       GLY 605  22.955   3.539  -0.704
  381   1HA   GLY 605          1HA       GLY 605  20.937   3.009   1.107
  382   2HA   GLY 605          2HA       GLY 605  20.609   2.003  -0.295
  383    H    SER 606           H        SER 606  22.707   2.588   2.387
  384    HA   SER 606           HA       SER 606  24.250   0.176   1.685
  385   1HB   SER 606          2HB       SER 606  25.272   2.170   3.671
  386   2HB   SER 606          1HB       SER 606  26.170   1.088   2.608
  387    HG   SER 606           HG       SER 606  25.969   3.507   2.133
  388    H    THR 607           H        THR 607  22.977   2.044   4.433
  389    HA   THR 607           HA       THR 607  22.511  -0.501   5.835
  390    HB   THR 607           HB       THR 607  23.111   0.512   7.962
  391    HG1  THR 607           1HG      THR 607  22.735   2.657   7.759
  392   1HG2  THR 607          1HG2      THR 607  25.588   1.295   6.932
  393   2HG2  THR 607          2HG2      THR 607  24.970   0.100   5.793
  394   3HG2  THR 607          3HG2      THR 607  25.132  -0.310   7.501
  395    H    LEU 608           H        LEU 608  21.691   2.948   5.657
  396    HA   LEU 608           HA       LEU 608  19.418   2.913   7.265
  397   1HB   LEU 608          2HB       LEU 608  20.409   4.987   6.561
  398   2HB   LEU 608          1HB       LEU 608  20.097   4.618   4.876
  399    HG   LEU 608           HG       LEU 608  17.644   4.606   6.415
  400   1HD1  LEU 608          1HD1      LEU 608  19.540   6.820   6.844
  401   2HD1  LEU 608          2HD1      LEU 608  18.192   6.266   7.838
  402   3HD1  LEU 608          3HD1      LEU 608  17.890   7.284   6.429
  403   1HD2  LEU 608          1HD2      LEU 608  18.103   4.815   3.887
  404   2HD2  LEU 608          2HD2      LEU 608  18.395   6.519   4.237
  405   3HD2  LEU 608          3HD2      LEU 608  16.826   5.801   4.598
  406    HA   PRO 609           HA       PRO 609  16.919   0.432   4.422
  407   1HB   PRO 609          2HB       PRO 609  15.091  -0.376   6.215
  408   2HB   PRO 609          1HB       PRO 609  16.717  -1.068   6.168
  409   1HG   PRO 609          2HG       PRO 609  15.582   0.989   8.014
  410   2HG   PRO 609          1HG       PRO 609  16.680  -0.356   8.370
  411   1HD   PRO 609          2HD       PRO 609  17.470   2.265   8.023
  412   2HD   PRO 609          1HD       PRO 609  18.527   0.857   7.810
  413    H    ILE 610           H        ILE 610  15.509   2.651   6.827
  414    HA   ILE 610           HA       ILE 610  13.738   3.689   4.730
  415    HB   ILE 610           HB       ILE 610  12.793   3.166   7.546
  416   1HG1  ILE 610          2HG1      ILE 610  12.150   1.599   5.039
  417   2HG1  ILE 610          1HG1      ILE 610  13.251   1.057   6.301
  418   1HG2  ILE 610          1HG2      ILE 610  11.802   5.006   5.975
  419   2HG2  ILE 610          2HG2      ILE 610  10.733   3.957   6.906
  420   3HG2  ILE 610          3HG2      ILE 610  11.018   3.632   5.197
  421   1HD1  ILE 610          1HD1      ILE 610  11.330  -0.035   6.879
  422   2HD1  ILE 610          2HD1      ILE 610  10.287   1.279   6.336
  423   3HD1  ILE 610          3HD1      ILE 610  11.182   1.430   7.849
  424    HA   PRO 611           HA       PRO 611  15.594   7.420   6.442
  425   1HB   PRO 611          2HB       PRO 611  14.360   9.174   4.770
  426   2HB   PRO 611          1HB       PRO 611  15.762   8.211   4.293
  427   1HG   PRO 611          2HG       PRO 611  12.858   7.731   3.745
  428   2HG   PRO 611          1HG       PRO 611  14.248   7.557   2.656
  429   1HD   PRO 611          2HD       PRO 611  13.088   5.441   3.874
  430   2HD   PRO 611          1HD       PRO 611  14.827   5.497   3.518
  431    H    GLY 612           H        GLY 612  12.123   7.341   5.612
  432   1HA   GLY 612          2HA       GLY 612  11.575   8.604   8.216
  433   2HA   GLY 612          1HA       GLY 612  10.851   9.262   6.757
  434    H    THR 613           H        THR 613   9.140   8.200   5.783
  435    HA   THR 613           HA       THR 613   8.100   5.844   7.212
  436    HB   THR 613           HB       THR 613   5.790   6.906   6.444
  437    HG1  THR 613           1HG      THR 613   6.044   8.896   5.789
  438   1HG2  THR 613          1HG2      THR 613   7.399   7.079   8.883
  439   2HG2  THR 613          2HG2      THR 613   5.710   6.618   8.670
  440   3HG2  THR 613          3HG2      THR 613   6.154   8.322   8.763
  441    HA   PRO 614           HA       PRO 614   7.485   3.636   3.462
  442   1HB   PRO 614          2HB       PRO 614   4.556   3.633   4.039
  443   2HB   PRO 614          1HB       PRO 614   5.628   2.283   3.649
  444   1HG   PRO 614          2HG       PRO 614   4.817   2.682   6.149
  445   2HG   PRO 614          1HG       PRO 614   6.477   2.160   5.805
  446   1HD   PRO 614          2HD       PRO 614   5.461   4.846   6.610
  447   2HD   PRO 614          1HD       PRO 614   6.994   4.048   7.017
  448    HA   PRO 615           HA       PRO 615   6.057   5.969  -0.003
  449   1HB   PRO 615          2HB       PRO 615   3.764   4.129  -0.485
  450   2HB   PRO 615          1HB       PRO 615   5.040   4.652  -1.590
  451   1HG   PRO 615          2HG       PRO 615   5.074   2.206  -0.539
  452   2HG   PRO 615          1HG       PRO 615   6.574   3.127  -0.753
  453   1HD   PRO 615          2HD       PRO 615   5.012   2.598   1.736
  454   2HD   PRO 615          1HD       PRO 615   6.769   2.706   1.507
  455    HA   PRO 616           HA       PRO 616   2.648   8.713   0.614
  456   1HB   PRO 616          2HB       PRO 616   1.083   7.575  -1.651
  457   2HB   PRO 616          1HB       PRO 616   1.556   9.249  -1.338
  458   1HG   PRO 616          2HG       PRO 616   2.800   7.820  -3.205
  459   2HG   PRO 616          1HG       PRO 616   3.703   8.937  -2.163
  460   1HD   PRO 616          2HD       PRO 616   3.527   5.956  -2.049
  461   2HD   PRO 616          1HD       PRO 616   4.913   7.019  -1.729
  462    H    ASN 617           H        ASN 617   1.308   8.508   2.275
  463    HA   ASN 617           HA       ASN 617   0.051   6.132   3.051
  464   1HB   ASN 617          2HB       ASN 617   0.571   8.117   4.522
  465   2HB   ASN 617          1HB       ASN 617  -0.831   8.918   3.821
  466   1HD2  ASN 617          1HD2      ASN 617  -0.265   5.584   4.889
  467   2HD2  ASN 617          2HD2      ASN 617  -1.585   5.537   6.002
  468    H    TYR 618           H        TYR 618  -2.169   5.548   3.095
  469    HA   TYR 618           HA       TYR 618  -3.508   5.873   0.650
  470   1HB   TYR 618          2HB       TYR 618  -3.796   3.933   2.177
  471   2HB   TYR 618          1HB       TYR 618  -4.682   4.971   3.288
  472    HD1  TYR 618           1HD      TYR 618  -6.964   4.707   3.234
  473    HD2  TYR 618           2HD      TYR 618  -4.772   4.198  -0.376
  474    HE1  TYR 618           1HE      TYR 618  -9.055   4.203   2.044
  475    HE2  TYR 618           2HE      TYR 618  -6.858   3.693  -1.577
  476    HH   TYR 618           HH       TYR 618  -9.766   3.003  -0.004
  477    H    ASP 619           H        ASP 619  -3.796   7.558   3.716
  478    HA   ASP 619           HA       ASP 619  -6.220   8.901   3.181
  479   1HB   ASP 619          2HB       ASP 619  -4.014   9.156   5.135
  480   2HB   ASP 619          1HB       ASP 619  -4.942  10.624   4.843
  481    H    SER 620           H        SER 620  -2.972   9.413   2.117
  482    HA   SER 620           HA       SER 620  -3.595  12.094   1.127
  483   1HB   SER 620          2HB       SER 620  -1.321  11.130   2.265
  484   2HB   SER 620          1HB       SER 620  -0.938  10.937   0.554
  485    HG   SER 620           HG       SER 620  -1.755  13.326   1.853
  486    H    LEU 621           H        LEU 621  -3.368   8.838   0.055
  487    HA   LEU 621           HA       LEU 621  -2.759   9.358  -2.679
  488   1HB   LEU 621          2HB       LEU 621  -3.635   7.032  -1.071
  489   2HB   LEU 621          1HB       LEU 621  -4.014   6.979  -2.782
  490    HG   LEU 621           HG       LEU 621  -1.242   7.367  -1.650
  491   1HD1  LEU 621          1HD1      LEU 621  -2.714   4.934  -2.603
  492   2HD1  LEU 621          2HD1      LEU 621  -1.799   5.165  -1.113
  493   3HD1  LEU 621          3HD1      LEU 621  -0.954   5.030  -2.655
  494   1HD2  LEU 621          1HD2      LEU 621  -0.531   6.916  -3.961
  495   2HD2  LEU 621          2HD2      LEU 621  -1.503   8.381  -3.835
  496   3HD2  LEU 621          3HD2      LEU 621  -2.221   6.898  -4.464
  Start of MODEL   14
    1   1H    GLY 450          1HT       GLY 450   8.200 -32.003  -1.616
    2   2H    GLY 450          2HT       GLY 450   9.075 -33.451  -1.666
    3   3H    GLY 450          3HT       GLY 450   7.954 -33.099  -2.883
    4   1HA   GLY 450          1HA       GLY 450  10.514 -31.692  -2.362
    5   2HA   GLY 450          2HA       GLY 450  10.149 -32.725  -3.735
    6    H    SER 451           H        SER 451   8.739 -31.970  -5.361
    7    HA   SER 451           HA       SER 451   8.374 -29.046  -5.336
    8   1HB   SER 451          2HB       SER 451   9.444 -30.884  -7.358
    9   2HB   SER 451          1HB       SER 451   8.237 -29.762  -7.987
   10    HG   SER 451           HG       SER 451  10.599 -29.095  -6.561
   11    HA   PRO 452           HA       PRO 452   4.098 -30.733  -5.402
   12   1HB   PRO 452          2HB       PRO 452   2.991 -28.581  -4.163
   13   2HB   PRO 452          1HB       PRO 452   3.739 -29.920  -3.285
   14   1HG   PRO 452          2HG       PRO 452   4.875 -27.239  -3.976
   15   2HG   PRO 452          1HG       PRO 452   4.988 -28.144  -2.456
   16   1HD   PRO 452          2HD       PRO 452   7.004 -28.078  -4.260
   17   2HD   PRO 452          1HD       PRO 452   6.683 -29.498  -3.243
   18    H    VAL 453           H        VAL 453   5.265 -27.494  -6.216
   19    HA   VAL 453           HA       VAL 453   4.857 -26.174  -8.035
   20    HB   VAL 453           HB       VAL 453   2.934 -28.232  -9.096
   21   1HG1  VAL 453          1HG1      VAL 453   3.512 -25.794 -10.043
   22   2HG1  VAL 453          2HG1      VAL 453   3.100 -27.158 -11.080
   23   3HG1  VAL 453          3HG1      VAL 453   4.791 -26.721 -10.827
   24   1HG2  VAL 453          1HG2      VAL 453   5.047 -29.030 -10.374
   25   2HG2  VAL 453          2HG2      VAL 453   4.761 -29.610  -8.734
   26   3HG2  VAL 453          3HG2      VAL 453   5.925 -28.317  -9.021
   27    H    ASP 454           H        ASP 454   3.285 -26.131  -5.591
   28    HA   ASP 454           HA       ASP 454   1.252 -24.324  -6.422
   29   1HB   ASP 454          2HB       ASP 454   0.496 -27.070  -6.232
   30   2HB   ASP 454          1HB       ASP 454  -0.268 -26.196  -4.908
   31    H    SER 455           H        SER 455   3.523 -24.384  -4.659
   32    HA   SER 455           HA       SER 455   2.610 -24.508  -1.952
   33   1HB   SER 455          2HB       SER 455   5.029 -24.767  -2.889
   34   2HB   SER 455          1HB       SER 455   5.068 -23.005  -2.808
   35    HG   SER 455           HG       SER 455   4.307 -24.601  -0.601
   36    H    ASN 456           H        ASN 456   3.853 -22.121  -0.944
   37    HA   ASN 456           HA       ASN 456   1.719 -20.385  -0.809
   38   1HB   ASN 456          2HB       ASN 456   4.592 -19.478  -0.628
   39   2HB   ASN 456          1HB       ASN 456   3.193 -18.811   0.209
   40   1HD2  ASN 456          1HD2      ASN 456   1.997 -21.169   1.058
   41   2HD2  ASN 456          2HD2      ASN 456   3.011 -21.911   2.244
   42    H    ASP 457           H        ASP 457   0.779 -19.884  -2.760
   43    HA   ASP 457           HA       ASP 457   2.387 -18.189  -4.557
   44   1HB   ASP 457          2HB       ASP 457   0.968 -20.580  -5.154
   45   2HB   ASP 457          1HB       ASP 457   0.115 -19.249  -5.930
   46    H    LEU 458           H        LEU 458   1.616 -16.213  -5.022
   47    HA   LEU 458           HA       LEU 458  -1.163 -15.596  -4.279
   48   1HB   LEU 458          2HB       LEU 458   1.309 -13.988  -3.651
   49   2HB   LEU 458          1HB       LEU 458  -0.316 -13.336  -3.545
   50    HG   LEU 458           HG       LEU 458  -0.195 -15.779  -2.054
   51   1HD1  LEU 458          1HD1      LEU 458   1.404 -15.099  -0.329
   52   2HD1  LEU 458          2HD1      LEU 458   1.896 -13.733  -1.329
   53   3HD1  LEU 458          3HD1      LEU 458   2.194 -15.381  -1.880
   54   1HD2  LEU 458          1HD2      LEU 458  -0.626 -13.991  -0.191
   55   2HD2  LEU 458          2HD2      LEU 458  -1.848 -14.314  -1.420
   56   3HD2  LEU 458          3HD2      LEU 458  -0.803 -12.901  -1.567
   57    H    GLY 459           H        GLY 459  -2.278 -14.363  -5.697
   58   1HA   GLY 459          2HA       GLY 459  -0.903 -13.688  -8.193
   59   2HA   GLY 459          1HA       GLY 459  -2.640 -13.827  -7.977
   60    HA   PRO 460           HA       PRO 460  -2.607  -9.391  -7.894
   61   1HB   PRO 460          2HB       PRO 460  -5.149  -8.955  -7.101
   62   2HB   PRO 460          1HB       PRO 460  -4.756  -9.549  -8.719
   63   1HG   PRO 460          2HG       PRO 460  -5.687 -11.073  -6.316
   64   2HG   PRO 460          1HG       PRO 460  -6.203 -11.226  -8.006
   65   1HD   PRO 460          2HD       PRO 460  -4.414 -12.913  -6.838
   66   2HD   PRO 460          1HD       PRO 460  -4.392 -12.525  -8.570
   67    H    LEU 461           H        LEU 461  -1.151 -10.107  -5.828
   68    HA   LEU 461           HA       LEU 461  -0.519  -9.592  -3.700
   69   1HB   LEU 461          2HB       LEU 461  -2.644  -7.482  -3.638
   70   2HB   LEU 461          1HB       LEU 461  -1.048  -7.454  -2.916
   71    HG   LEU 461           HG       LEU 461  -0.892  -7.655  -5.804
   72   1HD1  LEU 461          1HD1      LEU 461  -2.452  -5.367  -4.629
   73   2HD1  LEU 461          2HD1      LEU 461  -2.960  -6.485  -5.895
   74   3HD1  LEU 461          3HD1      LEU 461  -1.678  -5.316  -6.213
   75   1HD2  LEU 461          1HD2      LEU 461   0.890  -6.961  -4.156
   76   2HD2  LEU 461          2HD2      LEU 461   0.027  -5.431  -3.997
   77   3HD2  LEU 461          3HD2      LEU 461   0.690  -5.911  -5.559
   78    HA   PRO 462           HA       PRO 462  -3.094 -11.525  -0.700
   79   1HB   PRO 462          2HB       PRO 462  -2.624  -9.358   1.249
   80   2HB   PRO 462          1HB       PRO 462  -2.203 -11.066   1.348
   81   1HG   PRO 462          2HG       PRO 462  -0.334  -9.184   0.969
   82   2HG   PRO 462          1HG       PRO 462  -0.218 -10.783   0.210
   83   1HD   PRO 462          2HD       PRO 462  -1.059  -8.172  -0.985
   84   2HD   PRO 462          1HD       PRO 462  -0.070  -9.467  -1.690
   85    HA   PRO 463           HA       PRO 463  -7.080  -9.650  -0.344
   86   1HB   PRO 463          2HB       PRO 463  -7.953 -10.196   2.154
   87   2HB   PRO 463          1HB       PRO 463  -7.758 -11.449   0.923
   88   1HG   PRO 463          2HG       PRO 463  -5.939 -10.715   3.182
   89   2HG   PRO 463          1HG       PRO 463  -6.406 -12.321   2.597
   90   1HD   PRO 463          2HD       PRO 463  -4.040 -11.132   1.968
   91   2HD   PRO 463          1HD       PRO 463  -4.858 -12.288   0.899
   92    H    GLY 464           H        GLY 464  -7.452  -7.525  -0.360
   93   1HA   GLY 464          2HA       GLY 464  -8.024  -5.495   0.700
   94   2HA   GLY 464          1HA       GLY 464  -7.140  -6.015   2.123
   95    H    TRP 465           H        TRP 465  -5.102  -6.697  -0.335
   96    HA   TRP 465           HA       TRP 465  -3.626  -4.221   0.093
   97   1HB   TRP 465          2HB       TRP 465  -2.885  -6.955  -0.906
   98   2HB   TRP 465          1HB       TRP 465  -1.809  -5.582  -1.145
   99    HD1  TRP 465           HD       TRP 465  -3.380  -7.645   1.700
  100    HE1  TRP 465           1HE      TRP 465  -1.892  -7.374   3.784
  101    HE3  TRP 465           3HE      TRP 465  -0.143  -4.124  -0.078
  102    HZ2  TRP 465           2HZ      TRP 465   0.354  -5.859   4.557
  103    HZ3  TRP 465           3HZ      TRP 465   1.644  -3.309   1.398
  104    HH2  TRP 465           HH       TRP 465   1.887  -4.161   3.675
  105    H    GLU 466           H        GLU 466  -2.337  -3.394  -1.816
  106    HA   GLU 466           HA       GLU 466  -3.615  -3.713  -4.405
  107   1HB   GLU 466          2HB       GLU 466  -4.453  -1.675  -2.676
  108   2HB   GLU 466          1HB       GLU 466  -3.386  -0.882  -3.824
  109   1HG   GLU 466          2HG       GLU 466  -5.026  -2.563  -5.348
  110   2HG   GLU 466          1HG       GLU 466  -6.083  -1.791  -4.167
  111    H    GLU 467           H        GLU 467  -2.288  -3.179  -6.111
  112    HA   GLU 467           HA       GLU 467   0.476  -2.520  -5.397
  113   1HB   GLU 467          2HB       GLU 467   1.109  -3.403  -7.543
  114   2HB   GLU 467          1HB       GLU 467   0.020  -4.549  -6.776
  115   1HG   GLU 467          2HG       GLU 467  -1.714  -3.020  -8.212
  116   2HG   GLU 467          1HG       GLU 467  -0.286  -3.020  -9.246
  117    H    ARG 468           H        ARG 468   0.782  -0.368  -5.323
  118    HA   ARG 468           HA       ARG 468  -0.299   1.248  -7.537
  119   1HB   ARG 468          2HB       ARG 468   0.459   2.145  -4.753
  120   2HB   ARG 468          1HB       ARG 468  -0.183   3.176  -6.023
  121   1HG   ARG 468          2HG       ARG 468  -1.915   0.926  -5.604
  122   2HG   ARG 468          1HG       ARG 468  -1.611   1.765  -4.081
  123   1HD   ARG 468          2HD       ARG 468  -3.572   2.661  -5.258
  124   2HD   ARG 468          1HD       ARG 468  -2.300   3.868  -5.068
  125    HE   ARG 468           HE       ARG 468  -1.822   2.812  -7.523
  126   1HH1  ARG 468          1HH1      ARG 468  -4.615   4.224  -5.994
  127   2HH1  ARG 468          2HH1      ARG 468  -5.282   4.825  -7.475
  128   1HH2  ARG 468          1HH2      ARG 468  -2.690   3.602  -9.477
  129   2HH2  ARG 468          2HH2      ARG 468  -4.187   4.471  -9.456
  130    H    THR 469           H        THR 469   1.027   2.593  -8.675
  131    HA   THR 469           HA       THR 469   3.841   2.006  -8.595
  132    HB   THR 469           HB       THR 469   4.032   3.416 -10.554
  133    HG1  THR 469           1HG      THR 469   1.291   4.094 -10.161
  134   1HG2  THR 469          1HG2      THR 469   2.462   1.132 -10.393
  135   2HG2  THR 469          2HG2      THR 469   3.131   1.843 -11.862
  136   3HG2  THR 469          3HG2      THR 469   1.494   2.254 -11.348
  137    H    HIS 470           H        HIS 470   5.401   3.138  -7.628
  138    HA   HIS 470           HA       HIS 470   4.728   5.418  -6.018
  139   1HB   HIS 470          2HB       HIS 470   6.414   3.580  -5.440
  140   2HB   HIS 470          1HB       HIS 470   7.510   4.388  -6.556
  141    HD2  HIS 470           2HD      HIS 470   8.968   6.357  -5.462
  142    HE1  HIS 470           1HE      HIS 470   6.664   6.828  -1.942
  143    HE2  HIS 470           2HE      HIS 470   8.840   7.422  -3.100
  144    H    THR 471           H        THR 471   6.036   7.434  -6.084
  145    HA   THR 471           HA       THR 471   5.799   8.736  -8.533
  146    HB   THR 471           HB       THR 471   7.853   9.729  -6.617
  147    HG1  THR 471           1HG      THR 471   6.056  10.470  -5.273
  148   1HG2  THR 471          1HG2      THR 471   5.941  11.670  -7.078
  149   2HG2  THR 471          2HG2      THR 471   6.003  10.784  -8.601
  150   3HG2  THR 471          3HG2      THR 471   7.472  11.498  -7.937
  151    H    ASP 472           H        ASP 472   8.336   6.734  -7.317
  152    HA   ASP 472           HA       ASP 472  10.285   7.691  -9.248
  153   1HB   ASP 472          2HB       ASP 472  10.320   5.900  -6.889
  154   2HB   ASP 472          1HB       ASP 472  11.464   5.516  -8.172
  155    H    GLY 473           H        GLY 473   7.765   5.425  -9.192
  156   1HA   GLY 473          2HA       GLY 473   7.187   4.375 -11.300
  157   2HA   GLY 473          1HA       GLY 473   8.903   4.110 -11.573
  158    H    ARG 474           H        ARG 474   9.016   3.351  -8.578
  159    HA   ARG 474           HA       ARG 474   8.675   0.529  -9.027
  160   1HB   ARG 474          2HB       ARG 474   9.488   2.071  -6.556
  161   2HB   ARG 474          1HB       ARG 474   9.502   0.317  -6.688
  162   1HG   ARG 474          2HG       ARG 474  11.450   0.307  -7.761
  163   2HG   ARG 474          1HG       ARG 474  10.961   1.614  -8.841
  164   1HD   ARG 474          2HD       ARG 474  12.227   3.040  -7.706
  165   2HD   ARG 474          1HD       ARG 474  11.315   2.695  -6.237
  166    HE   ARG 474           HE       ARG 474  13.337   0.742  -6.862
  167   1HH1  ARG 474          1HH1      ARG 474  12.638   3.750  -5.255
  168   2HH1  ARG 474          2HH1      ARG 474  13.951   3.605  -4.134
  169   1HH2  ARG 474          1HH2      ARG 474  15.069   0.541  -5.394
  170   2HH2  ARG 474          2HH2      ARG 474  15.335   1.782  -4.215
  171    H    VAL 475           H        VAL 475   6.873  -0.589  -8.680
  172    HA   VAL 475           HA       VAL 475   4.604   0.656  -7.422
  173    HB   VAL 475           HB       VAL 475   4.400  -0.821  -9.407
  174   1HG1  VAL 475          1HG1      VAL 475   4.819  -3.168  -7.559
  175   2HG1  VAL 475          2HG1      VAL 475   6.129  -2.462  -8.499
  176   3HG1  VAL 475          3HG1      VAL 475   4.734  -3.148  -9.325
  177   1HG2  VAL 475          1HG2      VAL 475   2.399  -0.404  -8.268
  178   2HG2  VAL 475          2HG2      VAL 475   2.853  -1.399  -6.889
  179   3HG2  VAL 475          3HG2      VAL 475   2.421  -2.158  -8.424
  180    H    PHE 476           H        PHE 476   4.440   0.761  -5.287
  181    HA   PHE 476           HA       PHE 476   5.642  -1.293  -3.610
  182   1HB   PHE 476          2HB       PHE 476   5.050   0.208  -1.737
  183   2HB   PHE 476          1HB       PHE 476   6.009   1.023  -2.968
  184    HD1  PHE 476           1HD      PHE 476   5.009   2.706  -4.412
  185    HD2  PHE 476           2HD      PHE 476   2.771   0.821  -1.322
  186    HE1  PHE 476           1HE      PHE 476   3.295   4.463  -4.587
  187    HE2  PHE 476           2HE      PHE 476   1.052   2.575  -1.491
  188    HZ   PHE 476           HZ       PHE 476   1.313   4.399  -3.125
  189    H    PHE 477           H        PHE 477   4.149  -1.591  -1.475
  190    HA   PHE 477           HA       PHE 477   1.582  -2.619  -2.490
  191   1HB   PHE 477          2HB       PHE 477   3.227  -3.630  -0.162
  192   2HB   PHE 477          1HB       PHE 477   1.717  -4.326  -0.737
  193    HD1  PHE 477           1HD      PHE 477   5.150  -3.490  -1.903
  194    HD2  PHE 477           2HD      PHE 477   1.774  -6.055  -2.261
  195    HE1  PHE 477           1HE      PHE 477   6.408  -4.922  -3.459
  196    HE2  PHE 477           2HE      PHE 477   3.026  -7.493  -3.818
  197    HZ   PHE 477           HZ       PHE 477   5.347  -6.926  -4.418
  198    H    ILE 478           H        ILE 478  -0.287  -2.397  -1.199
  199    HA   ILE 478           HA       ILE 478  -0.101  -0.782   1.224
  200    HB   ILE 478           HB       ILE 478  -0.325   0.901  -0.511
  201   1HG1  ILE 478          2HG1      ILE 478  -2.745   0.404   1.204
  202   2HG1  ILE 478          1HG1      ILE 478  -1.459   1.574   1.427
  203   1HG2  ILE 478          1HG2      ILE 478  -1.250  -0.465  -2.269
  204   2HG2  ILE 478          2HG2      ILE 478  -2.256   0.960  -2.015
  205   3HG2  ILE 478          3HG2      ILE 478  -2.771  -0.605  -1.390
  206   1HD1  ILE 478          1HD1      ILE 478  -3.908   1.741  -0.224
  207   2HD1  ILE 478          2HD1      ILE 478  -2.460   2.542  -0.837
  208   3HD1  ILE 478          3HD1      ILE 478  -3.105   2.976   0.747
  209    H    ASN 479           H        ASN 479  -1.481  -1.536   2.719
  210    HA   ASN 479           HA       ASN 479  -3.576  -3.380   1.845
  211   1HB   ASN 479          2HB       ASN 479  -3.563  -4.298   4.017
  212   2HB   ASN 479          1HB       ASN 479  -1.872  -3.987   3.648
  213   1HD2  ASN 479          1HD2      ASN 479  -2.734  -4.345   6.220
  214   2HD2  ASN 479          2HD2      ASN 479  -2.602  -2.858   7.088
  215    H    HIS 480           H        HIS 480  -5.720  -3.257   2.754
  216    HA   HIS 480           HA       HIS 480  -6.514  -0.475   3.291
  217   1HB   HIS 480          2HB       HIS 480  -7.918  -2.752   1.922
  218   2HB   HIS 480          1HB       HIS 480  -8.821  -1.377   2.551
  219    HD2  HIS 480           2HD      HIS 480  -5.528  -0.195   1.132
  220    HE1  HIS 480           1HE      HIS 480  -8.401   0.177  -1.952
  221    HE2  HIS 480           2HE      HIS 480  -5.997   0.625  -1.283
  222    H    ASN 481           H        ASN 481  -6.148  -3.427   4.841
  223    HA   ASN 481           HA       ASN 481  -8.426  -3.591   6.458
  224   1HB   ASN 481          2HB       ASN 481  -5.696  -4.323   7.480
  225   2HB   ASN 481          1HB       ASN 481  -7.238  -5.116   7.783
  226   1HD2  ASN 481          1HD2      ASN 481  -4.589  -4.740   5.596
  227   2HD2  ASN 481          2HD2      ASN 481  -4.976  -6.067   4.563
  228    H    ILE 482           H        ILE 482  -5.374  -1.863   6.926
  229    HA   ILE 482           HA       ILE 482  -6.702  -0.214   8.966
  230    HB   ILE 482           HB       ILE 482  -4.350  -0.092  10.054
  231   1HG1  ILE 482          2HG1      ILE 482  -4.176  -2.724   8.569
  232   2HG1  ILE 482          1HG1      ILE 482  -3.147  -1.317   8.318
  233   1HG2  ILE 482          1HG2      ILE 482  -6.608  -1.794  10.440
  234   2HG2  ILE 482          2HG2      ILE 482  -5.508  -1.120  11.642
  235   3HG2  ILE 482          3HG2      ILE 482  -5.143  -2.670  10.883
  236   1HD1  ILE 482          1HD1      ILE 482  -2.430  -1.582  10.725
  237   2HD1  ILE 482          2HD1      ILE 482  -1.892  -2.829   9.600
  238   3HD1  ILE 482          3HD1      ILE 482  -3.241  -3.148  10.691
  239    H    LYS 483           H        LYS 483  -6.081   0.136   6.088
  240    HA   LYS 483           HA       LYS 483  -5.121   1.625   4.638
  241   1HB   LYS 483          2HB       LYS 483  -5.600   3.454   6.997
  242   2HB   LYS 483          1HB       LYS 483  -5.388   3.965   5.327
  243   1HG   LYS 483          2HG       LYS 483  -7.709   4.015   5.789
  244   2HG   LYS 483          1HG       LYS 483  -7.419   2.618   4.751
  245   1HD   LYS 483          2HD       LYS 483  -7.885   1.118   6.410
  246   2HD   LYS 483          1HD       LYS 483  -7.332   2.198   7.690
  247   1HE   LYS 483          2HE       LYS 483  -9.556   3.441   6.492
  248   2HE   LYS 483          1HE       LYS 483  -9.991   1.747   6.723
  249   1HZ   LYS 483          1HZ       LYS 483  -8.999   2.149   9.073
  250   2HZ   LYS 483          2HZ       LYS 483 -10.574   2.657   8.727
  251   3HZ   LYS 483          3HZ       LYS 483  -9.307   3.777   8.732
  252    H    LYS 484           H        LYS 484  -3.023   0.610   4.700
  253    HA   LYS 484           HA       LYS 484  -0.972   2.462   5.591
  254   1HB   LYS 484          2HB       LYS 484  -1.602   0.324   7.224
  255   2HB   LYS 484          1HB       LYS 484  -0.239  -0.279   6.293
  256   1HG   LYS 484          2HG       LYS 484   1.193   0.919   7.483
  257   2HG   LYS 484          1HG       LYS 484   0.269   2.399   7.219
  258   1HD   LYS 484          2HD       LYS 484  -0.506   2.340   9.304
  259   2HD   LYS 484          1HD       LYS 484  -1.114   0.699   9.073
  260   1HE   LYS 484          2HE       LYS 484   1.134  -0.175   9.575
  261   2HE   LYS 484          1HE       LYS 484   1.692   1.472   9.866
  262   1HZ   LYS 484          1HZ       LYS 484   0.277  -0.285  11.604
  263   2HZ   LYS 484          2HZ       LYS 484  -0.538   1.187  11.438
  264   3HZ   LYS 484          3HZ       LYS 484   1.071   1.166  11.961
  265    H    THR 485           H        THR 485   1.222   1.750   4.810
  266    HA   THR 485           HA       THR 485   1.153  -0.045   2.508
  267    HB   THR 485           HB       THR 485   0.691   1.951   1.350
  268    HG1  THR 485           1HG      THR 485   2.924   2.466   0.455
  269   1HG2  THR 485          1HG2      THR 485   2.549   3.874   1.868
  270   2HG2  THR 485          2HG2      THR 485   2.314   3.176   3.470
  271   3HG2  THR 485          3HG2      THR 485   0.936   3.824   2.579
  272    H    GLN 486           H        GLN 486   3.410  -0.355   1.600
  273    HA   GLN 486           HA       GLN 486   5.615   0.306   3.336
  274   1HB   GLN 486          2HB       GLN 486   6.194  -2.165   3.623
  275   2HB   GLN 486          1HB       GLN 486   4.886  -1.534   4.618
  276   1HG   GLN 486          2HG       GLN 486   3.254  -2.629   3.401
  277   2HG   GLN 486          1HG       GLN 486   4.297  -2.820   1.994
  278   1HE2  GLN 486          1HE2      GLN 486   5.255  -4.694   1.707
  279   2HE2  GLN 486          2HE2      GLN 486   5.396  -5.945   2.887
  280    H    TRP 487           H        TRP 487   7.633  -0.095   2.396
  281    HA   TRP 487           HA       TRP 487   7.647  -0.132  -0.453
  282   1HB   TRP 487          2HB       TRP 487   9.594   0.290   1.704
  283   2HB   TRP 487          1HB       TRP 487  10.271  -0.477   0.272
  284    HD1  TRP 487           HD       TRP 487  10.228   2.764   1.576
  285    HE1  TRP 487           1HE      TRP 487  10.122   4.602  -0.224
  286    HE3  TRP 487           3HE      TRP 487   8.632  -0.060  -2.378
  287    HZ2  TRP 487           2HZ      TRP 487   9.450   4.824  -2.954
  288    HZ3  TRP 487           3HZ      TRP 487   8.281   1.043  -4.549
  289    HH2  TRP 487           HH       TRP 487   8.681   3.436  -4.829
  290    H    GLU 488           H        GLU 488   8.685  -2.424   2.046
  291    HA   GLU 488           HA       GLU 488   9.755  -4.369   0.328
  292   1HB   GLU 488          2HB       GLU 488   9.740  -4.088   2.977
  293   2HB   GLU 488          1HB       GLU 488   8.411  -5.229   2.840
  294   1HG   GLU 488          2HG       GLU 488   9.833  -6.903   2.636
  295   2HG   GLU 488          1HG       GLU 488  10.557  -6.147   1.217
  296    H    ASP 489           H        ASP 489   8.754  -6.692   0.354
  297    HA   ASP 489           HA       ASP 489   6.032  -6.433  -0.720
  298   1HB   ASP 489          2HB       ASP 489   7.942  -8.716  -1.209
  299   2HB   ASP 489          1HB       ASP 489   6.484  -8.315  -2.112
  300    HA   PRO 490           HA       PRO 490   4.932  -8.915   2.858
  301   1HB   PRO 490          2HB       PRO 490   2.278  -8.618   2.700
  302   2HB   PRO 490          1HB       PRO 490   3.329  -7.288   3.199
  303   1HG   PRO 490          2HG       PRO 490   2.014  -7.779   0.566
  304   2HG   PRO 490          1HG       PRO 490   2.270  -6.253   1.424
  305   1HD   PRO 490          2HD       PRO 490   3.838  -7.201  -0.662
  306   2HD   PRO 490          1HD       PRO 490   4.331  -5.965   0.511
  307    H    ARG 491           H        ARG 491   3.316  -9.324  -0.277
  308    HA   ARG 491           HA       ARG 491   2.380 -11.956   0.345
  309   1HB   ARG 491          2HB       ARG 491   2.057 -12.002  -2.251
  310   2HB   ARG 491          1HB       ARG 491   1.034 -10.988  -1.250
  311   1HG   ARG 491          2HG       ARG 491   1.806  -9.093  -2.155
  312   2HG   ARG 491          1HG       ARG 491   3.465  -9.671  -2.206
  313   1HD   ARG 491          2HD       ARG 491   1.257 -10.141  -4.180
  314   2HD   ARG 491          1HD       ARG 491   2.827  -9.392  -4.454
  315    HE   ARG 491           HE       ARG 491   3.543 -11.856  -3.750
  316   1HH1  ARG 491          1HH1      ARG 491   1.133 -10.733  -6.007
  317   2HH1  ARG 491          2HH1      ARG 491   1.228 -12.144  -7.003
  318   1HH2  ARG 491          1HH2      ARG 491   3.665 -13.714  -5.058
  319   2HH2  ARG 491          2HH2      ARG 491   2.668 -13.836  -6.469
  320    H    MET 492           H        MET 492   5.289 -10.643  -1.014
  321    HA   MET 492           HA       MET 492   6.165 -13.183  -2.096
  322   1HB   MET 492          2HB       MET 492   6.824 -11.159  -3.259
  323   2HB   MET 492          1HB       MET 492   7.585 -10.532  -1.803
  324   1HG   MET 492          2HG       MET 492   9.475 -11.376  -2.590
  325   2HG   MET 492          1HG       MET 492   8.826 -12.957  -2.157
  326   1HE   MET 492          1HE       MET 492  11.036 -12.120  -4.626
  327   2HE   MET 492          2HE       MET 492  10.081 -10.648  -4.796
  328   3HE   MET 492          3HE       MET 492  10.222 -11.769  -6.150
  329    H    GLN 493           H        GLN 493   6.585 -11.298   0.803
  330    HA   GLN 493           HA       GLN 493   8.842 -12.769   1.777
  331   1HB   GLN 493          2HB       GLN 493   7.136 -10.569   2.719
  332   2HB   GLN 493          1HB       GLN 493   7.732 -11.617   3.998
  333   1HG   GLN 493          2HG       GLN 493   9.351 -10.053   2.006
  334   2HG   GLN 493          1HG       GLN 493   9.257  -9.811   3.750
  335   1HE2  GLN 493          1HE2      GLN 493  10.934 -11.275   1.243
  336   2HE2  GLN 493          2HE2      GLN 493  11.944 -12.317   2.181
  337    H    ASN 494           H        ASN 494   8.387 -14.936   1.851
  338    HA   ASN 494           HA       ASN 494   6.883 -15.857   4.105
  339   1HB   ASN 494          2HB       ASN 494   5.406 -17.375   2.707
  340   2HB   ASN 494          1HB       ASN 494   4.978 -15.668   2.695
  341   1HD2  ASN 494          1HD2      ASN 494   5.649 -14.400   0.857
  342   2HD2  ASN 494          2HD2      ASN 494   5.803 -15.156  -0.688
  343    H    VAL 495           H        VAL 495   7.697 -17.740   4.835
  344    HA   VAL 495           HA       VAL 495   9.269 -19.387   5.065
  345    HB   VAL 495           HB       VAL 495   7.459 -20.516   3.789
  346   1HG1  VAL 495          1HG1      VAL 495   7.426 -19.417   1.711
  347   2HG1  VAL 495          2HG1      VAL 495   8.023 -21.039   1.365
  348   3HG1  VAL 495          3HG1      VAL 495   9.148 -19.685   1.448
  349   1HG2  VAL 495          1HG2      VAL 495   9.935 -21.751   2.745
  350   2HG2  VAL 495          2HG2      VAL 495   8.624 -22.458   3.688
  351   3HG2  VAL 495          3HG2      VAL 495   9.855 -21.479   4.486
  352    H    ALA 496           H        ALA 496  10.351 -16.948   4.049
  353    HA   ALA 496           HA       ALA 496  12.877 -17.892   3.152
  354   1HB   ALA 496          1HB       ALA 496  12.970 -17.058   0.952
  355   2HB   ALA 496          2HB       ALA 496  11.440 -16.195   1.129
  356   3HB   ALA 496          3HB       ALA 496  11.456 -17.957   1.047
  357    H    ILE 497           H        ILE 497  14.366 -16.536   3.921
  358    HA   ILE 497           HA       ILE 497  15.304 -14.722   4.932
  359    HB   ILE 497           HB       ILE 497  13.518 -13.066   3.154
  360   1HG1  ILE 497          2HG1      ILE 497  16.031 -13.354   1.940
  361   2HG1  ILE 497          1HG1      ILE 497  15.567 -14.981   2.433
  362   1HG2  ILE 497          1HG2      ILE 497  15.901 -11.814   3.215
  363   2HG2  ILE 497          2HG2      ILE 497  15.903 -12.568   4.809
  364   3HG2  ILE 497          3HG2      ILE 497  14.590 -11.483   4.347
  365   1HD1  ILE 497          1HD1      ILE 497  14.875 -14.399   0.130
  366   2HD1  ILE 497          2HD1      ILE 497  13.842 -13.134   0.795
  367   3HD1  ILE 497          3HD1      ILE 497  13.520 -14.826   1.178
  368    H    THR 498           H        THR 498  12.678 -15.799   5.935
  369    HA   THR 498           HA       THR 498  11.520 -13.424   7.191
  370    HB   THR 498           HB       THR 498   9.791 -14.996   8.051
  371    HG1  THR 498           1HG      THR 498   9.820 -17.124   7.014
  372   1HG2  THR 498          1HG2      THR 498  10.221 -15.116   5.065
  373   2HG2  THR 498          2HG2      THR 498   9.451 -13.792   5.940
  374   3HG2  THR 498          3HG2      THR 498   8.694 -15.384   5.904
  375    H    GLY 499           H        GLY 499  11.462 -13.106   9.404
  376   1HA   GLY 499          2HA       GLY 499  11.841 -14.484  11.574
  377   2HA   GLY 499          1HA       GLY 499  13.458 -14.651  10.907
  378   1H    GLY 605          1HT       GLY 605   6.568  19.703  -1.441
  379   2H    GLY 605          2HT       GLY 605   7.982  20.194  -0.654
  380   3H    GLY 605          3HT       GLY 605   6.769  19.392   0.210
  381   1HA   GLY 605          1HA       GLY 605   8.741  17.994  -0.376
  382   2HA   GLY 605          2HA       GLY 605   7.176  17.353  -0.853
  383    H    SER 606           H        SER 606  10.262  17.854  -1.874
  384    HA   SER 606           HA       SER 606   9.491  17.419  -4.650
  385   1HB   SER 606          2HB       SER 606  10.825  19.854  -3.638
  386   2HB   SER 606          1HB       SER 606  11.553  19.131  -5.073
  387    HG   SER 606           HG       SER 606   9.894  20.662  -5.562
  388    H    THR 607           H        THR 607  12.215  17.813  -2.399
  389    HA   THR 607           HA       THR 607  13.697  15.769  -3.896
  390    HB   THR 607           HB       THR 607  14.708  17.595  -1.708
  391    HG1  THR 607           1HG      THR 607  14.197  18.804  -3.551
  392   1HG2  THR 607          1HG2      THR 607  16.592  16.436  -3.630
  393   2HG2  THR 607          2HG2      THR 607  15.801  15.249  -2.593
  394   3HG2  THR 607          3HG2      THR 607  16.708  16.580  -1.876
  395    H    LEU 608           H        LEU 608  12.379  16.519  -0.727
  396    HA   LEU 608           HA       LEU 608  13.126  13.818   0.180
  397   1HB   LEU 608          2HB       LEU 608  13.931  15.957   1.419
  398   2HB   LEU 608          1HB       LEU 608  12.286  16.027   2.024
  399    HG   LEU 608           HG       LEU 608  12.671  13.617   2.827
  400   1HD1  LEU 608          1HD1      LEU 608  14.933  13.715   1.417
  401   2HD1  LEU 608          2HD1      LEU 608  14.746  12.711   2.854
  402   3HD1  LEU 608          3HD1      LEU 608  15.550  14.276   2.971
  403   1HD2  LEU 608          1HD2      LEU 608  12.476  15.480   4.350
  404   2HD2  LEU 608          2HD2      LEU 608  14.156  15.933   4.060
  405   3HD2  LEU 608          3HD2      LEU 608  13.779  14.418   4.882
  406    HA   PRO 609           HA       PRO 609   8.504  13.867  -0.292
  407   1HB   PRO 609          2HB       PRO 609   8.309  11.477  -1.545
  408   2HB   PRO 609          1HB       PRO 609   8.631  12.983  -2.413
  409   1HG   PRO 609          2HG       PRO 609  10.542  10.846  -1.553
  410   2HG   PRO 609          1HG       PRO 609  10.469  11.731  -3.088
  411   1HD   PRO 609          2HD       PRO 609  12.222  12.348  -1.103
  412   2HD   PRO 609          1HD       PRO 609  11.577  13.554  -2.234
  413    H    ILE 610           H        ILE 610  10.649  11.159   0.553
  414    HA   ILE 610           HA       ILE 610   9.138  10.711   2.989
  415    HB   ILE 610           HB       ILE 610   9.182   8.151   2.403
  416   1HG1  ILE 610          2HG1      ILE 610   8.850   9.340  -0.354
  417   2HG1  ILE 610          1HG1      ILE 610  10.324   8.562   0.210
  418   1HG2  ILE 610          1HG2      ILE 610   7.116   9.142   2.942
  419   2HG2  ILE 610          2HG2      ILE 610   6.870   8.378   1.373
  420   3HG2  ILE 610          3HG2      ILE 610   7.106  10.122   1.474
  421   1HD1  ILE 610          1HD1      ILE 610   8.903   7.094  -1.164
  422   2HD1  ILE 610          2HD1      ILE 610   7.635   7.224   0.054
  423   3HD1  ILE 610          3HD1      ILE 610   9.175   6.467   0.463
  424    HA   PRO 611           HA       PRO 611  13.611  10.228   3.752
  425   1HB   PRO 611          2HB       PRO 611  12.688  10.506   6.544
  426   2HB   PRO 611          1HB       PRO 611  13.915  11.426   5.669
  427   1HG   PRO 611          2HG       PRO 611  11.541  12.502   6.284
  428   2HG   PRO 611          1HG       PRO 611  12.367  12.884   4.761
  429   1HD   PRO 611          2HD       PRO 611  10.075  11.023   5.261
  430   2HD   PRO 611          1HD       PRO 611  10.338  12.152   3.914
  431    H    GLY 612           H        GLY 612  11.122   8.857   5.916
  432   1HA   GLY 612          2HA       GLY 612  12.484   6.257   5.680
  433   2HA   GLY 612          1HA       GLY 612  12.087   6.891   7.269
  434    H    THR 613           H        THR 613   9.519   7.997   6.507
  435    HA   THR 613           HA       THR 613   7.865   5.829   7.045
  436    HB   THR 613           HB       THR 613   5.996   7.328   6.175
  437    HG1  THR 613           1HG      THR 613   7.674   8.509   4.814
  438   1HG2  THR 613          1HG2      THR 613   5.967   8.552   8.141
  439   2HG2  THR 613          2HG2      THR 613   7.709   8.823   8.120
  440   3HG2  THR 613          3HG2      THR 613   7.067   7.238   8.554
  441    HA   PRO 614           HA       PRO 614   7.300   3.577   3.306
  442   1HB   PRO 614          2HB       PRO 614   4.558   3.180   3.405
  443   2HB   PRO 614          1HB       PRO 614   5.759   2.187   4.234
  444   1HG   PRO 614          2HG       PRO 614   4.089   4.425   5.293
  445   2HG   PRO 614          1HG       PRO 614   4.545   2.898   6.071
  446   1HD   PRO 614          2HD       PRO 614   5.761   5.197   6.705
  447   2HD   PRO 614          1HD       PRO 614   6.663   3.669   6.627
  448    HA   PRO 615           HA       PRO 615   5.859   5.886  -0.161
  449   1HB   PRO 615          2HB       PRO 615   3.611   3.989  -0.626
  450   2HB   PRO 615          1HB       PRO 615   4.875   4.531  -1.736
  451   1HG   PRO 615          2HG       PRO 615   4.966   2.097  -0.661
  452   2HG   PRO 615          1HG       PRO 615   6.444   3.051  -0.885
  453   1HD   PRO 615          2HD       PRO 615   4.893   2.507   1.608
  454   2HD   PRO 615          1HD       PRO 615   6.647   2.655   1.378
  455    HA   PRO 616           HA       PRO 616   2.385   8.578   0.356
  456   1HB   PRO 616          2HB       PRO 616   0.800   7.201  -1.766
  457   2HB   PRO 616          1HB       PRO 616   1.161   8.920  -1.568
  458   1HG   PRO 616          2HG       PRO 616   2.444   7.468  -3.390
  459   2HG   PRO 616          1HG       PRO 616   3.296   8.708  -2.451
  460   1HD   PRO 616          2HD       PRO 616   3.371   5.740  -2.184
  461   2HD   PRO 616          1HD       PRO 616   4.659   6.931  -1.919
  462    H    ASN 617           H        ASN 617   0.995   8.527   1.994
  463    HA   ASN 617           HA       ASN 617  -0.068   6.176   3.083
  464   1HB   ASN 617          2HB       ASN 617   0.292   8.350   4.297
  465   2HB   ASN 617          1HB       ASN 617  -1.151   8.967   3.497
  466   1HD2  ASN 617          1HD2      ASN 617  -0.374   5.841   4.978
  467   2HD2  ASN 617          2HD2      ASN 617  -1.704   5.840   6.081
  468    H    TYR 618           H        TYR 618  -2.237   5.434   3.224
  469    HA   TYR 618           HA       TYR 618  -3.605   5.343   0.775
  470   1HB   TYR 618          2HB       TYR 618  -3.782   3.577   2.476
  471   2HB   TYR 618          1HB       TYR 618  -4.632   4.687   3.546
  472    HD1  TYR 618           1HD      TYR 618  -6.896   4.326   3.686
  473    HD2  TYR 618           2HD      TYR 618  -4.942   3.584  -0.019
  474    HE1  TYR 618           1HE      TYR 618  -9.041   3.642   2.698
  475    HE2  TYR 618           2HE      TYR 618  -7.082   2.898  -1.018
  476    HH   TYR 618           HH       TYR 618 -10.058   3.510   0.413
  477    H    ASP 619           H        ASP 619  -4.097   7.300   3.668
  478    HA   ASP 619           HA       ASP 619  -6.568   8.435   2.905
  479   1HB   ASP 619          2HB       ASP 619  -5.508   8.461   5.217
  480   2HB   ASP 619          1HB       ASP 619  -4.489   9.774   4.637
  481    H    SER 620           H        SER 620  -3.275   9.143   2.052
  482    HA   SER 620           HA       SER 620  -3.922  11.720   0.899
  483   1HB   SER 620          2HB       SER 620  -1.534  10.368   1.719
  484   2HB   SER 620          1HB       SER 620  -1.365  10.842   0.029
  485    HG   SER 620           HG       SER 620  -0.711  12.566   1.250
  486    H    LEU 621           H        LEU 621  -3.651   8.420  -0.105
  487    HA   LEU 621           HA       LEU 621  -3.332   8.937  -2.896
  488   1HB   LEU 621          2HB       LEU 621  -3.907   6.556  -1.208
  489   2HB   LEU 621          1HB       LEU 621  -4.295   6.462  -2.916
  490    HG   LEU 621           HG       LEU 621  -1.572   7.031  -1.741
  491   1HD1  LEU 621          1HD1      LEU 621  -1.001   4.857  -2.779
  492   2HD1  LEU 621          2HD1      LEU 621  -2.708   4.624  -3.152
  493   3HD1  LEU 621          3HD1      LEU 621  -2.178   4.722  -1.473
  494   1HD2  LEU 621          1HD2      LEU 621  -0.936   6.644  -4.215
  495   2HD2  LEU 621          2HD2      LEU 621  -1.564   8.220  -3.733
  496   3HD2  LEU 621          3HD2      LEU 621  -2.617   7.062  -4.547
  Start of MODEL   15
    1   1H    GLY 450          1HT       GLY 450   2.761 -32.251 -17.466
    2   2H    GLY 450          2HT       GLY 450   3.422 -33.521 -16.564
    3   3H    GLY 450          3HT       GLY 450   4.079 -31.966 -16.442
    4   1HA   GLY 450          1HA       GLY 450   1.430 -32.885 -15.480
    5   2HA   GLY 450          2HA       GLY 450   2.782 -32.336 -14.501
    6    H    SER 451           H        SER 451  -0.144 -31.431 -15.266
    7    HA   SER 451           HA       SER 451  -0.005 -28.885 -16.392
    8   1HB   SER 451          2HB       SER 451  -2.153 -29.886 -16.159
    9   2HB   SER 451          1HB       SER 451  -1.944 -30.096 -14.420
   10    HG   SER 451           HG       SER 451  -2.629 -28.136 -14.125
   11    HA   PRO 452           HA       PRO 452   1.920 -26.275 -13.406
   12   1HB   PRO 452          2HB       PRO 452  -0.191 -24.269 -13.930
   13   2HB   PRO 452          1HB       PRO 452   1.558 -24.143 -14.143
   14   1HG   PRO 452          2HG       PRO 452  -0.081 -24.351 -16.246
   15   2HG   PRO 452          1HG       PRO 452   1.510 -25.135 -16.231
   16   1HD   PRO 452          2HD       PRO 452  -1.199 -26.330 -15.796
   17   2HD   PRO 452          1HD       PRO 452   0.192 -26.983 -16.686
   18    H    VAL 453           H        VAL 453   1.633 -26.993 -11.364
   19    HA   VAL 453           HA       VAL 453  -0.448 -25.812  -9.774
   20    HB   VAL 453           HB       VAL 453  -1.026 -28.191  -8.832
   21   1HG1  VAL 453          1HG1      VAL 453  -2.561 -26.526  -9.915
   22   2HG1  VAL 453          2HG1      VAL 453  -3.022 -28.215 -10.123
   23   3HG1  VAL 453          3HG1      VAL 453  -2.252 -27.343 -11.447
   24   1HG2  VAL 453          1HG2      VAL 453  -0.555 -30.000 -10.063
   25   2HG2  VAL 453          2HG2      VAL 453   0.637 -28.976 -10.863
   26   3HG2  VAL 453          3HG2      VAL 453  -0.962 -29.190 -11.575
   27    H    ASP 454           H        ASP 454   2.495 -25.963  -9.949
   28    HA   ASP 454           HA       ASP 454   2.982 -26.580  -7.141
   29   1HB   ASP 454          2HB       ASP 454   3.825 -28.302  -9.224
   30   2HB   ASP 454          1HB       ASP 454   5.263 -27.469  -8.642
   31    H    SER 455           H        SER 455   3.107 -24.316  -6.897
   32    HA   SER 455           HA       SER 455   5.723 -23.246  -7.269
   33   1HB   SER 455          2HB       SER 455   4.000 -22.873  -9.434
   34   2HB   SER 455          1HB       SER 455   3.939 -21.344  -8.557
   35    HG   SER 455           HG       SER 455   5.744 -21.960 -10.226
   36    H    ASN 456           H        ASN 456   4.957 -20.476  -7.129
   37    HA   ASN 456           HA       ASN 456   3.321 -20.332  -4.708
   38   1HB   ASN 456          2HB       ASN 456   5.054 -18.782  -3.703
   39   2HB   ASN 456          1HB       ASN 456   5.508 -20.482  -3.775
   40   1HD2  ASN 456          1HD2      ASN 456   7.284 -18.282  -3.547
   41   2HD2  ASN 456          2HD2      ASN 456   8.285 -18.270  -4.954
   42    H    ASP 457           H        ASP 457   1.951 -19.483  -6.545
   43    HA   ASP 457           HA       ASP 457   2.509 -16.619  -6.966
   44   1HB   ASP 457          2HB       ASP 457   1.144 -16.806  -9.036
   45   2HB   ASP 457          1HB       ASP 457   2.597 -17.800  -9.078
   46    H    LEU 458           H        LEU 458   1.375 -15.719  -5.315
   47    HA   LEU 458           HA       LEU 458  -1.173 -16.619  -4.449
   48   1HB   LEU 458          2HB       LEU 458   0.668 -14.436  -3.814
   49   2HB   LEU 458          1HB       LEU 458  -1.020 -13.994  -3.643
   50    HG   LEU 458           HG       LEU 458   0.275 -16.360  -2.290
   51   1HD1  LEU 458          1HD1      LEU 458  -0.245 -14.837  -0.246
   52   2HD1  LEU 458          2HD1      LEU 458  -0.169 -13.536  -1.436
   53   3HD1  LEU 458          3HD1      LEU 458   1.229 -14.582  -1.181
   54   1HD2  LEU 458          1HD2      LEU 458  -1.860 -17.015  -2.123
   55   2HD2  LEU 458          2HD2      LEU 458  -2.483 -15.430  -2.579
   56   3HD2  LEU 458          3HD2      LEU 458  -1.995 -15.740  -0.913
   57    H    GLY 459           H        GLY 459  -0.103 -14.150  -6.716
   58   1HA   GLY 459          2HA       GLY 459  -1.565 -13.732  -8.635
   59   2HA   GLY 459          1HA       GLY 459  -2.923 -13.802  -7.523
   60    HA   PRO 460           HA       PRO 460  -2.155  -9.322  -8.138
   61   1HB   PRO 460          2HB       PRO 460  -4.969  -9.170  -7.278
   62   2HB   PRO 460          1HB       PRO 460  -4.206  -8.535  -8.738
   63   1HG   PRO 460          2HG       PRO 460  -5.865 -10.642  -8.823
   64   2HG   PRO 460          1HG       PRO 460  -4.455 -10.521  -9.893
   65   1HD   PRO 460          2HD       PRO 460  -4.797 -12.117  -7.378
   66   2HD   PRO 460          1HD       PRO 460  -4.023 -12.579  -8.909
   67    H    LEU 461           H        LEU 461  -0.964 -10.169  -5.997
   68    HA   LEU 461           HA       LEU 461  -0.423  -9.719  -3.836
   69   1HB   LEU 461          2HB       LEU 461  -2.398  -7.455  -4.122
   70   2HB   LEU 461          1HB       LEU 461  -1.150  -7.595  -2.898
   71    HG   LEU 461           HG       LEU 461  -0.681  -7.251  -5.861
   72   1HD1  LEU 461          1HD1      LEU 461  -1.384  -5.171  -5.110
   73   2HD1  LEU 461          2HD1      LEU 461   0.370  -5.079  -4.948
   74   3HD1  LEU 461          3HD1      LEU 461  -0.633  -5.376  -3.528
   75   1HD2  LEU 461          1HD2      LEU 461   1.039  -8.139  -3.699
   76   2HD2  LEU 461          2HD2      LEU 461   1.659  -6.696  -4.501
   77   3HD2  LEU 461          3HD2      LEU 461   1.314  -8.148  -5.440
   78    HA   PRO 462           HA       PRO 462  -3.268 -11.628  -1.089
   79   1HB   PRO 462          2HB       PRO 462  -2.740  -9.620   1.008
   80   2HB   PRO 462          1HB       PRO 462  -2.447 -11.359   1.018
   81   1HG   PRO 462          2HG       PRO 462  -0.428  -9.611   0.833
   82   2HG   PRO 462          1HG       PRO 462  -0.398 -11.152  -0.045
   83   1HD   PRO 462          2HD       PRO 462  -1.038  -8.404  -1.057
   84   2HD   PRO 462          1HD       PRO 462  -0.078  -9.689  -1.821
   85    HA   PRO 463           HA       PRO 463  -7.216  -9.695  -0.848
   86   1HB   PRO 463          2HB       PRO 463  -7.490 -10.381   2.014
   87   2HB   PRO 463          1HB       PRO 463  -8.467 -10.892   0.636
   88   1HG   PRO 463          2HG       PRO 463  -6.796 -12.586   1.852
   89   2HG   PRO 463          1HG       PRO 463  -7.044 -12.629   0.096
   90   1HD   PRO 463          2HD       PRO 463  -4.772 -11.466   1.662
   91   2HD   PRO 463          1HD       PRO 463  -4.739 -12.392   0.145
   92    H    GLY 464           H        GLY 464  -7.858  -7.639  -0.629
   93   1HA   GLY 464          2HA       GLY 464  -8.221  -5.576   0.366
   94   2HA   GLY 464          1HA       GLY 464  -7.390  -6.157   1.801
   95    H    TRP 465           H        TRP 465  -5.286  -6.875  -0.567
   96    HA   TRP 465           HA       TRP 465  -3.754  -4.452  -0.067
   97   1HB   TRP 465          2HB       TRP 465  -3.098  -7.196  -1.078
   98   2HB   TRP 465          1HB       TRP 465  -1.988  -5.864  -1.382
   99    HD1  TRP 465           HD       TRP 465  -3.461  -7.899   1.524
  100    HE1  TRP 465           1HE      TRP 465  -1.911  -7.612   3.557
  101    HE3  TRP 465           3HE      TRP 465  -0.326  -4.329  -0.352
  102    HZ2  TRP 465           2HZ      TRP 465   0.339  -6.071   4.263
  103    HZ3  TRP 465           3HZ      TRP 465   1.500  -3.495   1.073
  104    HH2  TRP 465           HH       TRP 465   1.821  -4.352   3.338
  105    H    GLU 466           H        GLU 466  -2.478  -3.529  -1.890
  106    HA   GLU 466           HA       GLU 466  -3.665  -3.802  -4.527
  107   1HB   GLU 466          2HB       GLU 466  -4.317  -1.637  -2.703
  108   2HB   GLU 466          1HB       GLU 466  -3.605  -1.037  -4.193
  109   1HG   GLU 466          2HG       GLU 466  -5.763  -3.064  -4.392
  110   2HG   GLU 466          1HG       GLU 466  -6.197  -1.416  -3.942
  111    H    GLU 467           H        GLU 467  -2.299  -3.228  -6.169
  112    HA   GLU 467           HA       GLU 467   0.426  -2.522  -5.369
  113   1HB   GLU 467          2HB       GLU 467   1.079  -3.259  -7.606
  114   2HB   GLU 467          1HB       GLU 467   0.138  -4.503  -6.797
  115   1HG   GLU 467          2HG       GLU 467  -1.870  -3.517  -8.050
  116   2HG   GLU 467          1HG       GLU 467  -0.666  -2.712  -9.055
  117    H    ARG 468           H        ARG 468   0.596  -0.350  -5.178
  118    HA   ARG 468           HA       ARG 468  -0.498   1.314  -7.343
  119   1HB   ARG 468          2HB       ARG 468   0.168   1.913  -4.471
  120   2HB   ARG 468          1HB       ARG 468  -0.051   3.198  -5.650
  121   1HG   ARG 468          2HG       ARG 468  -2.225   1.301  -5.749
  122   2HG   ARG 468          1HG       ARG 468  -2.015   1.967  -4.128
  123   1HD   ARG 468          2HD       ARG 468  -3.521   3.401  -5.271
  124   2HD   ARG 468          1HD       ARG 468  -1.977   4.247  -5.181
  125    HE   ARG 468           HE       ARG 468  -2.169   2.807  -7.607
  126   1HH1  ARG 468          1HH1      ARG 468  -3.398   5.644  -6.004
  127   2HH1  ARG 468          2HH1      ARG 468  -3.683   6.512  -7.476
  128   1HH2  ARG 468          1HH2      ARG 468  -2.536   3.943  -9.552
  129   2HH2  ARG 468          2HH2      ARG 468  -3.193   5.545  -9.493
  130    H    THR 469           H        THR 469   0.785   2.697  -8.487
  131    HA   THR 469           HA       THR 469   3.604   2.102  -8.508
  132    HB   THR 469           HB       THR 469   2.340   2.422 -10.611
  133    HG1  THR 469           1HG      THR 469   4.527   4.126 -10.010
  134   1HG2  THR 469          1HG2      THR 469   1.262   4.621  -9.349
  135   2HG2  THR 469          2HG2      THR 469   1.122   4.248 -11.067
  136   3HG2  THR 469          3HG2      THR 469   2.388   5.337 -10.502
  137    H    HIS 470           H        HIS 470   5.199   3.249  -7.623
  138    HA   HIS 470           HA       HIS 470   4.580   5.534  -5.990
  139   1HB   HIS 470          2HB       HIS 470   6.277   3.690  -5.462
  140   2HB   HIS 470          1HB       HIS 470   7.341   4.492  -6.612
  141    HD2  HIS 470           2HD      HIS 470   8.888   6.384  -5.521
  142    HE1  HIS 470           1HE      HIS 470   6.619   6.971  -1.997
  143    HE2  HIS 470           2HE      HIS 470   8.644   7.733  -3.319
  144    H    THR 471           H        THR 471   5.754   7.578  -6.135
  145    HA   THR 471           HA       THR 471   5.504   8.808  -8.619
  146    HB   THR 471           HB       THR 471   7.507  10.004  -6.805
  147    HG1  THR 471           1HG      THR 471   5.615  10.589  -5.394
  148   1HG2  THR 471          1HG2      THR 471   5.193  11.596  -7.186
  149   2HG2  THR 471          2HG2      THR 471   5.572  10.830  -8.729
  150   3HG2  THR 471          3HG2      THR 471   6.791  11.803  -7.905
  151    H    ASP 472           H        ASP 472   8.087   6.909  -7.356
  152    HA   ASP 472           HA       ASP 472  10.032   7.936  -9.257
  153   1HB   ASP 472          2HB       ASP 472  10.130   5.933  -7.021
  154   2HB   ASP 472          1HB       ASP 472  11.424   6.005  -8.213
  155    H    GLY 473           H        GLY 473   7.589   5.588  -9.237
  156   1HA   GLY 473          2HA       GLY 473   7.080   4.511 -11.348
  157   2HA   GLY 473          1HA       GLY 473   8.808   4.301 -11.593
  158    H    ARG 474           H        ARG 474   8.900   3.561  -8.593
  159    HA   ARG 474           HA       ARG 474   8.657   0.727  -9.031
  160   1HB   ARG 474          2HB       ARG 474   9.775   2.495  -6.944
  161   2HB   ARG 474          1HB       ARG 474   9.169   0.946  -6.375
  162   1HG   ARG 474          2HG       ARG 474  10.587  -0.054  -8.284
  163   2HG   ARG 474          1HG       ARG 474  11.404   1.511  -8.276
  164   1HD   ARG 474          2HD       ARG 474  12.081   1.239  -6.013
  165   2HD   ARG 474          1HD       ARG 474  11.041  -0.169  -5.806
  166    HE   ARG 474           HE       ARG 474  12.766  -0.854  -7.819
  167   1HH1  ARG 474          1HH1      ARG 474  13.093   0.212  -4.519
  168   2HH1  ARG 474          2HH1      ARG 474  14.568  -0.655  -4.248
  169   1HH2  ARG 474          1HH2      ARG 474  14.706  -2.001  -7.473
  170   2HH2  ARG 474          2HH2      ARG 474  15.485  -1.913  -5.928
  171    H    VAL 475           H        VAL 475   6.883  -0.449  -8.686
  172    HA   VAL 475           HA       VAL 475   4.575   0.746  -7.450
  173    HB   VAL 475           HB       VAL 475   4.176  -0.617  -9.362
  174   1HG1  VAL 475          1HG1      VAL 475   4.681  -3.112  -9.288
  175   2HG1  VAL 475          2HG1      VAL 475   5.714  -2.761  -7.901
  176   3HG1  VAL 475          3HG1      VAL 475   6.055  -2.028  -9.463
  177   1HG2  VAL 475          1HG2      VAL 475   3.194  -2.297  -7.049
  178   2HG2  VAL 475          2HG2      VAL 475   2.383  -1.940  -8.579
  179   3HG2  VAL 475          3HG2      VAL 475   2.583  -0.676  -7.372
  180    H    PHE 476           H        PHE 476   4.383   0.853  -5.323
  181    HA   PHE 476           HA       PHE 476   5.646  -1.139  -3.619
  182   1HB   PHE 476          2HB       PHE 476   5.055   0.353  -1.769
  183   2HB   PHE 476          1HB       PHE 476   5.895   1.232  -3.040
  184    HD1  PHE 476           1HD      PHE 476   2.801   0.842  -1.200
  185    HD2  PHE 476           2HD      PHE 476   4.666   2.785  -4.495
  186    HE1  PHE 476           1HE      PHE 476   0.950   2.460  -1.288
  187    HE2  PHE 476           2HE      PHE 476   2.819   4.407  -4.591
  188    HZ   PHE 476           HZ       PHE 476   0.957   4.247  -2.984
  189    H    PHE 477           H        PHE 477   4.215  -1.596  -1.528
  190    HA   PHE 477           HA       PHE 477   1.652  -2.649  -2.528
  191   1HB   PHE 477          2HB       PHE 477   3.287  -3.692  -0.211
  192   2HB   PHE 477          1HB       PHE 477   1.855  -4.438  -0.910
  193    HD1  PHE 477           1HD      PHE 477   2.108  -6.088  -2.502
  194    HD2  PHE 477           2HD      PHE 477   5.290  -3.342  -1.835
  195    HE1  PHE 477           1HE      PHE 477   3.533  -7.372  -4.043
  196    HE2  PHE 477           2HE      PHE 477   6.722  -4.621  -3.376
  197    HZ   PHE 477           HZ       PHE 477   5.843  -6.638  -4.481
  198    H    ILE 478           H        ILE 478  -0.190  -2.557  -1.198
  199    HA   ILE 478           HA       ILE 478  -0.040  -1.042   1.287
  200    HB   ILE 478           HB       ILE 478  -0.381   0.657  -0.505
  201   1HG1  ILE 478          2HG1      ILE 478  -2.652   0.194   1.429
  202   2HG1  ILE 478          1HG1      ILE 478  -1.246   1.224   1.655
  203   1HG2  ILE 478          1HG2      ILE 478  -1.551  -0.656  -2.129
  204   2HG2  ILE 478          2HG2      ILE 478  -2.545   0.728  -1.680
  205   3HG2  ILE 478          3HG2      ILE 478  -2.909  -0.868  -1.025
  206   1HD1  ILE 478          1HD1      ILE 478  -3.530   1.698  -0.255
  207   2HD1  ILE 478          2HD1      ILE 478  -2.089   2.710  -0.137
  208   3HD1  ILE 478          3HD1      ILE 478  -3.191   2.582   1.234
  209    H    ASN 479           H        ASN 479  -1.594  -1.648   2.740
  210    HA   ASN 479           HA       ASN 479  -3.421  -3.757   1.857
  211   1HB   ASN 479          2HB       ASN 479  -3.504  -4.510   4.093
  212   2HB   ASN 479          1HB       ASN 479  -1.822  -4.067   3.826
  213   1HD2  ASN 479          1HD2      ASN 479  -3.256  -4.297   6.313
  214   2HD2  ASN 479          2HD2      ASN 479  -3.186  -2.751   7.077
  215    H    HIS 480           H        HIS 480  -5.614  -3.800   2.901
  216    HA   HIS 480           HA       HIS 480  -6.701  -1.065   3.075
  217   1HB   HIS 480          2HB       HIS 480  -7.800  -3.543   1.776
  218   2HB   HIS 480          1HB       HIS 480  -8.872  -2.243   2.286
  219    HD2  HIS 480           2HD      HIS 480  -5.424  -1.558   0.557
  220    HE1  HIS 480           1HE      HIS 480  -8.568  -0.336  -1.996
  221    HE2  HIS 480           2HE      HIS 480  -6.054  -0.528  -1.737
  222    H    ASN 481           H        ASN 481  -5.753  -3.035   5.187
  223    HA   ASN 481           HA       ASN 481  -8.243  -3.537   6.628
  224   1HB   ASN 481          2HB       ASN 481  -5.874  -4.212   8.144
  225   2HB   ASN 481          1HB       ASN 481  -7.185  -5.249   7.610
  226   1HD2  ASN 481          1HD2      ASN 481  -6.907  -5.162   4.890
  227   2HD2  ASN 481          2HD2      ASN 481  -5.398  -5.871   4.431
  228    H    ILE 482           H        ILE 482  -5.127  -1.922   7.153
  229    HA   ILE 482           HA       ILE 482  -6.489  -0.066   8.986
  230    HB   ILE 482           HB       ILE 482  -4.185   0.056  10.161
  231   1HG1  ILE 482          2HG1      ILE 482  -4.021  -2.702   8.924
  232   2HG1  ILE 482          1HG1      ILE 482  -3.004  -1.333   8.487
  233   1HG2  ILE 482          1HG2      ILE 482  -6.286  -2.035  10.439
  234   2HG2  ILE 482          2HG2      ILE 482  -5.873  -0.699  11.514
  235   3HG2  ILE 482          3HG2      ILE 482  -4.848  -2.132  11.455
  236   1HD1  ILE 482          1HD1      ILE 482  -1.802  -2.808   9.950
  237   2HD1  ILE 482          2HD1      ILE 482  -3.093  -2.727  11.149
  238   3HD1  ILE 482          3HD1      ILE 482  -2.132  -1.292  10.790
  239    H    LYS 483           H        LYS 483  -5.696   0.021   6.103
  240    HA   LYS 483           HA       LYS 483  -4.625   1.367   4.597
  241   1HB   LYS 483          2HB       LYS 483  -5.288   3.361   6.770
  242   2HB   LYS 483          1HB       LYS 483  -4.869   3.778   5.114
  243   1HG   LYS 483          2HG       LYS 483  -7.243   3.883   5.353
  244   2HG   LYS 483          1HG       LYS 483  -6.845   2.492   4.343
  245   1HD   LYS 483          2HD       LYS 483  -7.623   1.008   5.860
  246   2HD   LYS 483          1HD       LYS 483  -7.026   1.945   7.231
  247   1HE   LYS 483          2HE       LYS 483  -9.145   2.518   7.611
  248   2HE   LYS 483          1HE       LYS 483  -9.033   3.527   6.169
  249   1HZ   LYS 483          1HZ       LYS 483  -9.874   1.713   4.849
  250   2HZ   LYS 483          2HZ       LYS 483 -10.946   2.024   6.120
  251   3HZ   LYS 483          3HZ       LYS 483  -9.910   0.689   6.196
  252    H    LYS 484           H        LYS 484  -2.544   0.335   4.900
  253    HA   LYS 484           HA       LYS 484  -0.535   2.262   5.722
  254   1HB   LYS 484          2HB       LYS 484  -1.286   0.302   7.525
  255   2HB   LYS 484          1HB       LYS 484   0.142  -0.380   6.758
  256   1HG   LYS 484          2HG       LYS 484   1.436   1.576   7.353
  257   2HG   LYS 484          1HG       LYS 484   0.004   2.338   8.048
  258   1HD   LYS 484          2HD       LYS 484  -0.029   0.916   9.870
  259   2HD   LYS 484          1HD       LYS 484   0.877  -0.346   9.030
  260   1HE   LYS 484          2HE       LYS 484   2.911   0.887   9.219
  261   2HE   LYS 484          1HE       LYS 484   2.058   2.314   9.805
  262   1HZ   LYS 484          1HZ       LYS 484   2.506   1.558  11.830
  263   2HZ   LYS 484          2HZ       LYS 484   3.002   0.045  11.259
  264   3HZ   LYS 484          3HZ       LYS 484   1.365   0.338  11.558
  265    H    THR 485           H        THR 485   0.954   2.334   4.191
  266    HA   THR 485           HA       THR 485   1.209   0.085   2.336
  267    HB   THR 485           HB       THR 485   0.917   2.064   1.116
  268    HG1  THR 485           1HG      THR 485   3.194   2.492   0.335
  269   1HG2  THR 485          1HG2      THR 485   2.537   4.046   1.577
  270   2HG2  THR 485          2HG2      THR 485   2.726   3.297   3.162
  271   3HG2  THR 485          3HG2      THR 485   1.132   3.823   2.618
  272    H    GLN 486           H        GLN 486   3.431  -0.431   1.531
  273    HA   GLN 486           HA       GLN 486   5.649   0.152   3.272
  274   1HB   GLN 486          2HB       GLN 486   6.061  -2.299   3.751
  275   2HB   GLN 486          1HB       GLN 486   4.724  -1.564   4.627
  276   1HG   GLN 486          2HG       GLN 486   3.148  -2.773   3.523
  277   2HG   GLN 486          1HG       GLN 486   4.111  -2.894   2.054
  278   1HE2  GLN 486          1HE2      GLN 486   5.282  -4.673   1.706
  279   2HE2  GLN 486          2HE2      GLN 486   5.450  -5.977   2.825
  280    H    TRP 487           H        TRP 487   7.613  -0.242   2.316
  281    HA   TRP 487           HA       TRP 487   7.619  -0.604  -0.514
  282   1HB   TRP 487          2HB       TRP 487   9.649  -0.035   1.583
  283   2HB   TRP 487          1HB       TRP 487  10.231  -0.737   0.077
  284    HD1  TRP 487           HD       TRP 487   9.934   2.497   1.538
  285    HE1  TRP 487           1HE      TRP 487   9.687   4.358  -0.222
  286    HE3  TRP 487           3HE      TRP 487   8.677  -0.370  -2.503
  287    HZ2  TRP 487           2HZ      TRP 487   9.044   4.581  -2.963
  288    HZ3  TRP 487           3HZ      TRP 487   8.262   0.744  -4.657
  289    HH2  TRP 487           HH       TRP 487   8.442   3.170  -4.880
  290    H    GLU 488           H        GLU 488   8.420  -2.612   2.252
  291    HA   GLU 488           HA       GLU 488   9.710  -4.705   0.895
  292   1HB   GLU 488          2HB       GLU 488   8.734  -4.184   3.548
  293   2HB   GLU 488          1HB       GLU 488   8.304  -5.822   3.072
  294   1HG   GLU 488          2HG       GLU 488  11.084  -4.688   2.900
  295   2HG   GLU 488          1HG       GLU 488  10.474  -5.626   4.262
  296    H    ASP 489           H        ASP 489   8.779  -6.984   0.819
  297    HA   ASP 489           HA       ASP 489   6.218  -6.858  -0.594
  298   1HB   ASP 489          2HB       ASP 489   8.197  -9.140  -0.531
  299   2HB   ASP 489          1HB       ASP 489   6.842  -8.937  -1.637
  300    HA   PRO 490           HA       PRO 490   4.594  -8.861   3.109
  301   1HB   PRO 490          2HB       PRO 490   1.982  -8.511   2.560
  302   2HB   PRO 490          1HB       PRO 490   3.008  -7.190   3.130
  303   1HG   PRO 490          2HG       PRO 490   2.075  -7.804   0.362
  304   2HG   PRO 490          1HG       PRO 490   2.237  -6.237   1.167
  305   1HD   PRO 490          2HD       PRO 490   4.067  -7.267  -0.613
  306   2HD   PRO 490          1HD       PRO 490   4.448  -6.059   0.627
  307    H    ARG 491           H        ARG 491   3.388  -9.506  -0.171
  308    HA   ARG 491           HA       ARG 491   2.257 -12.041   0.518
  309   1HB   ARG 491          2HB       ARG 491   2.212 -12.313  -2.032
  310   2HB   ARG 491          1HB       ARG 491   1.257 -11.013  -1.335
  311   1HG   ARG 491          2HG       ARG 491   2.692  -9.368  -2.107
  312   2HG   ARG 491          1HG       ARG 491   4.036 -10.495  -2.307
  313   1HD   ARG 491          2HD       ARG 491   1.528 -10.374  -3.977
  314   2HD   ARG 491          1HD       ARG 491   3.140  -9.856  -4.470
  315    HE   ARG 491           HE       ARG 491   3.444 -12.477  -3.769
  316   1HH1  ARG 491          1HH1      ARG 491   1.413 -10.738  -6.001
  317   2HH1  ARG 491          2HH1      ARG 491   1.296 -12.053  -7.120
  318   1HH2  ARG 491          1HH2      ARG 491   3.294 -14.216  -5.236
  319   2HH2  ARG 491          2HH2      ARG 491   2.364 -14.033  -6.685
  320    H    MET 492           H        MET 492   5.387 -10.934  -0.458
  321    HA   MET 492           HA       MET 492   6.310 -13.594  -1.169
  322   1HB   MET 492          2HB       MET 492   7.025 -11.317  -2.227
  323   2HB   MET 492          1HB       MET 492   8.113 -11.223  -0.849
  324   1HG   MET 492          2HG       MET 492   9.488 -12.797  -1.660
  325   2HG   MET 492          1HG       MET 492   8.166 -13.774  -2.296
  326   1HE   MET 492          1HE       MET 492  11.037 -12.631  -4.895
  327   2HE   MET 492          2HE       MET 492  11.035 -13.030  -3.178
  328   3HE   MET 492          3HE       MET 492  11.152 -11.347  -3.692
  329    H    GLN 493           H        GLN 493   5.481 -12.668   1.665
  330    HA   GLN 493           HA       GLN 493   7.909 -13.649   3.004
  331   1HB   GLN 493          2HB       GLN 493   7.475 -11.249   3.461
  332   2HB   GLN 493          1HB       GLN 493   5.903 -11.682   4.119
  333   1HG   GLN 493          2HG       GLN 493   7.750 -11.270   5.784
  334   2HG   GLN 493          1HG       GLN 493   6.853 -12.778   5.960
  335   1HE2  GLN 493          1HE2      GLN 493   9.335 -12.092   3.573
  336   2HE2  GLN 493          2HE2      GLN 493  10.480 -13.248   4.155
  337    H    ASN 494           H        ASN 494   6.342 -15.587   2.216
  338    HA   ASN 494           HA       ASN 494   5.357 -16.715   4.653
  339   1HB   ASN 494          2HB       ASN 494   3.054 -17.205   3.576
  340   2HB   ASN 494          1HB       ASN 494   3.326 -15.617   4.289
  341   1HD2  ASN 494          1HD2      ASN 494   2.896 -17.413   1.361
  342   2HD2  ASN 494          2HD2      ASN 494   2.676 -16.054   0.316
  343    H    VAL 495           H        VAL 495   5.330 -16.952   1.114
  344    HA   VAL 495           HA       VAL 495   5.479 -18.756  -0.293
  345    HB   VAL 495           HB       VAL 495   7.452 -20.227   0.190
  346   1HG1  VAL 495          1HG1      VAL 495   7.378 -17.733  -0.777
  347   2HG1  VAL 495          2HG1      VAL 495   8.869 -18.661  -0.623
  348   3HG1  VAL 495          3HG1      VAL 495   8.439 -17.473   0.607
  349   1HG2  VAL 495          1HG2      VAL 495   7.795 -18.447   2.599
  350   2HG2  VAL 495          2HG2      VAL 495   8.875 -19.737   2.070
  351   3HG2  VAL 495          3HG2      VAL 495   7.259 -20.127   2.658
  352    H    ALA 496           H        ALA 496   3.287 -19.343   0.830
  353    HA   ALA 496           HA       ALA 496   1.891 -20.880   1.825
  354   1HB   ALA 496          1HB       ALA 496   1.654 -22.567   0.372
  355   2HB   ALA 496          2HB       ALA 496   3.307 -23.134   0.610
  356   3HB   ALA 496          3HB       ALA 496   2.983 -21.796  -0.493
  357    H    ILE 497           H        ILE 497   2.257 -20.908   4.012
  358    HA   ILE 497           HA       ILE 497   4.450 -22.402   5.148
  359    HB   ILE 497           HB       ILE 497   3.474 -21.783   7.324
  360   1HG1  ILE 497          2HG1      ILE 497   1.376 -20.328   5.702
  361   2HG1  ILE 497          1HG1      ILE 497   1.094 -21.845   6.552
  362   1HG2  ILE 497          1HG2      ILE 497   5.037 -20.266   6.305
  363   2HG2  ILE 497          2HG2      ILE 497   3.762 -19.334   7.090
  364   3HG2  ILE 497          3HG2      ILE 497   3.756 -19.535   5.337
  365   1HD1  ILE 497          1HD1      ILE 497   1.421 -20.803   8.667
  366   2HD1  ILE 497          2HD1      ILE 497   0.319 -19.782   7.742
  367   3HD1  ILE 497          3HD1      ILE 497   2.014 -19.324   7.911
  368    H    THR 498           H        THR 498   1.072 -22.910   4.477
  369    HA   THR 498           HA       THR 498   1.113 -25.441   5.969
  370    HB   THR 498           HB       THR 498  -1.392 -24.492   4.681
  371    HG1  THR 498           1HG      THR 498  -1.696 -23.142   6.635
  372   1HG2  THR 498          1HG2      THR 498  -1.839 -26.367   5.902
  373   2HG2  THR 498          2HG2      THR 498  -2.066 -25.163   7.170
  374   3HG2  THR 498          3HG2      THR 498  -0.548 -26.054   7.062
  375    H    GLY 499           H        GLY 499   1.027 -27.368   4.958
  376   1HA   GLY 499          2HA       GLY 499  -0.098 -28.388   2.849
  377   2HA   GLY 499          1HA       GLY 499   1.032 -27.328   2.020
  378   1H    GLY 605          1HT       GLY 605  17.766   4.423  -8.236
  379   2H    GLY 605          2HT       GLY 605  16.681   5.612  -8.753
  380   3H    GLY 605          3HT       GLY 605  16.532   4.948  -7.204
  381   1HA   GLY 605          1HA       GLY 605  18.502   6.881  -8.219
  382   2HA   GLY 605          2HA       GLY 605  17.536   6.956  -6.753
  383    H    SER 606           H        SER 606  20.578   6.455  -7.927
  384    HA   SER 606           HA       SER 606  21.493   4.426  -6.135
  385   1HB   SER 606          2HB       SER 606  22.887   6.433  -7.899
  386   2HB   SER 606          1HB       SER 606  23.786   5.374  -6.813
  387    HG   SER 606           HG       SER 606  23.328   3.700  -8.041
  388    H    THR 607           H        THR 607  21.266   7.919  -6.042
  389    HA   THR 607           HA       THR 607  22.814   8.119  -3.602
  390    HB   THR 607           HB       THR 607  21.544  10.555  -3.922
  391    HG1  THR 607           1HG      THR 607  20.721  10.229  -5.917
  392   1HG2  THR 607          1HG2      THR 607  23.699  11.089  -3.746
  393   2HG2  THR 607          2HG2      THR 607  23.929  10.634  -5.434
  394   3HG2  THR 607          3HG2      THR 607  24.168   9.440  -4.159
  395    H    LEU 608           H        LEU 608  19.436   8.305  -4.600
  396    HA   LEU 608           HA       LEU 608  18.665   8.343  -1.756
  397   1HB   LEU 608          2HB       LEU 608  17.958  10.368  -2.886
  398   2HB   LEU 608          1HB       LEU 608  17.192   9.432  -4.154
  399    HG   LEU 608           HG       LEU 608  16.060   8.594  -1.691
  400   1HD1  LEU 608          1HD1      LEU 608  17.035  11.045  -1.209
  401   2HD1  LEU 608          2HD1      LEU 608  15.539  10.439  -0.500
  402   3HD1  LEU 608          3HD1      LEU 608  15.484  11.478  -1.926
  403   1HD2  LEU 608          1HD2      LEU 608  14.807   8.434  -3.665
  404   2HD2  LEU 608          2HD2      LEU 608  15.095  10.122  -4.087
  405   3HD2  LEU 608          3HD2      LEU 608  14.026   9.719  -2.743
  406    HA   PRO 609           HA       PRO 609  17.220   4.360  -3.756
  407   1HB   PRO 609          2HB       PRO 609  18.441   2.649  -2.064
  408   2HB   PRO 609          1HB       PRO 609  19.254   3.313  -3.487
  409   1HG   PRO 609          2HG       PRO 609  19.447   4.170  -0.625
  410   2HG   PRO 609          1HG       PRO 609  20.741   3.971  -1.822
  411   1HD   PRO 609          2HD       PRO 609  19.676   6.390  -1.179
  412   2HD   PRO 609          1HD       PRO 609  20.333   6.019  -2.786
  413    H    ILE 610           H        ILE 610  17.483   5.379  -0.384
  414    HA   ILE 610           HA       ILE 610  14.846   4.161   0.106
  415    HB   ILE 610           HB       ILE 610  17.047   4.351   2.163
  416   1HG1  ILE 610          2HG1      ILE 610  16.053   1.869   0.753
  417   2HG1  ILE 610          1HG1      ILE 610  17.516   2.731   0.289
  418   1HG2  ILE 610          1HG2      ILE 610  15.626   3.372   3.663
  419   2HG2  ILE 610          2HG2      ILE 610  14.668   2.583   2.412
  420   3HG2  ILE 610          3HG2      ILE 610  14.473   4.310   2.715
  421   1HD1  ILE 610          1HD1      ILE 610  17.073   0.838   2.433
  422   2HD1  ILE 610          2HD1      ILE 610  17.841   2.324   2.994
  423   3HD1  ILE 610          3HD1      ILE 610  18.578   1.385   1.696
  424    HA   PRO 611           HA       PRO 611  14.256   8.683   0.683
  425   1HB   PRO 611          2HB       PRO 611  11.524   7.533   1.053
  426   2HB   PRO 611          1HB       PRO 611  12.028   8.961   0.139
  427   1HG   PRO 611          2HG       PRO 611  11.423   6.698  -1.120
  428   2HG   PRO 611          1HG       PRO 611  12.779   7.704  -1.663
  429   1HD   PRO 611          2HD       PRO 611  12.809   5.126  -0.169
  430   2HD   PRO 611          1HD       PRO 611  13.955   5.750  -1.371
  431    H    GLY 612           H        GLY 612  12.751   6.078   2.595
  432   1HA   GLY 612          2HA       GLY 612  13.651   6.205   5.002
  433   2HA   GLY 612          1HA       GLY 612  12.927   7.804   4.973
  434    H    THR 613           H        THR 613  10.616   7.969   4.753
  435    HA   THR 613           HA       THR 613   9.261   5.885   6.215
  436    HB   THR 613           HB       THR 613   7.272   7.395   6.030
  437    HG1  THR 613           1HG      THR 613   7.392   9.207   4.873
  438   1HG2  THR 613          1HG2      THR 613   8.528   7.663   7.996
  439   2HG2  THR 613          2HG2      THR 613   8.371   9.297   7.354
  440   3HG2  THR 613          3HG2      THR 613   9.876   8.406   7.136
  441    HA   PRO 614           HA       PRO 614   7.276   3.565   3.053
  442   1HB   PRO 614          2HB       PRO 614   4.648   4.281   4.247
  443   2HB   PRO 614          1HB       PRO 614   5.333   2.689   3.907
  444   1HG   PRO 614          2HG       PRO 614   5.214   3.617   6.403
  445   2HG   PRO 614          1HG       PRO 614   6.613   2.680   5.841
  446   1HD   PRO 614          2HD       PRO 614   6.349   5.623   6.274
  447   2HD   PRO 614          1HD       PRO 614   7.738   4.557   6.572
  448    HA   PRO 615           HA       PRO 615   5.890   6.038  -0.315
  449   1HB   PRO 615          2HB       PRO 615   3.537   4.219  -0.544
  450   2HB   PRO 615          1HB       PRO 615   4.699   4.716  -1.780
  451   1HG   PRO 615          2HG       PRO 615   4.837   2.293  -0.693
  452   2HG   PRO 615          1HG       PRO 615   6.311   3.209  -1.060
  453   1HD   PRO 615          2HD       PRO 615   4.994   2.703   1.568
  454   2HD   PRO 615          1HD       PRO 615   6.720   2.841   1.176
  455    HA   PRO 616           HA       PRO 616   2.617   8.894   0.497
  456   1HB   PRO 616          2HB       PRO 616   0.870   7.754  -1.632
  457   2HB   PRO 616          1HB       PRO 616   1.399   9.422  -1.382
  458   1HG   PRO 616          2HG       PRO 616   2.479   7.932  -3.305
  459   2HG   PRO 616          1HG       PRO 616   3.474   9.049  -2.351
  460   1HD   PRO 616          2HD       PRO 616   3.256   6.076  -2.171
  461   2HD   PRO 616          1HD       PRO 616   4.676   7.120  -1.958
  462    H    ASN 617           H        ASN 617   1.064   8.980   2.007
  463    HA   ASN 617           HA       ASN 617   0.011   6.680   3.197
  464   1HB   ASN 617          2HB       ASN 617  -0.123   9.526   3.613
  465   2HB   ASN 617          1HB       ASN 617  -1.722   8.818   3.831
  466   1HD2  ASN 617          1HD2      ASN 617  -0.995   6.323   4.819
  467   2HD2  ASN 617          2HD2      ASN 617  -0.292   6.529   6.384
  468    H    TYR 618           H        TYR 618  -2.141   5.866   3.283
  469    HA   TYR 618           HA       TYR 618  -3.384   5.591   0.781
  470   1HB   TYR 618          2HB       TYR 618  -3.562   3.923   2.594
  471   2HB   TYR 618          1HB       TYR 618  -4.550   5.048   3.520
  472    HD1  TYR 618           1HD      TYR 618  -4.520   3.678   0.035
  473    HD2  TYR 618           2HD      TYR 618  -6.801   4.587   3.508
  474    HE1  TYR 618           1HE      TYR 618  -6.536   2.805  -1.069
  475    HE2  TYR 618           2HE      TYR 618  -8.824   3.716   2.415
  476    HH   TYR 618           HH       TYR 618  -8.683   2.075  -0.674
  477    H    ASP 619           H        ASP 619  -4.264   7.544   3.612
  478    HA   ASP 619           HA       ASP 619  -6.663   8.574   2.550
  479   1HB   ASP 619          2HB       ASP 619  -6.367  10.369   4.285
  480   2HB   ASP 619          1HB       ASP 619  -6.283   8.725   4.912
  481    H    SER 620           H        SER 620  -3.345   9.373   2.012
  482    HA   SER 620           HA       SER 620  -3.878  11.993   0.931
  483   1HB   SER 620          2HB       SER 620  -1.665  10.935   2.021
  484   2HB   SER 620          1HB       SER 620  -1.316  10.616   0.322
  485    HG   SER 620           HG       SER 620  -1.921  12.948   0.061
  486    H    LEU 621           H        LEU 621  -3.798   8.753  -0.246
  487    HA   LEU 621           HA       LEU 621  -3.279   9.375  -2.983
  488   1HB   LEU 621          2HB       LEU 621  -4.289   6.968  -1.517
  489   2HB   LEU 621          1HB       LEU 621  -4.380   7.026  -3.267
  490    HG   LEU 621           HG       LEU 621  -1.796   7.453  -1.785
  491   1HD1  LEU 621          1HD1      LEU 621  -2.632   5.274  -1.141
  492   2HD1  LEU 621          2HD1      LEU 621  -1.284   5.099  -2.265
  493   3HD1  LEU 621          3HD1      LEU 621  -2.939   4.868  -2.829
  494   1HD2  LEU 621          1HD2      LEU 621  -2.078   8.185  -4.187
  495   2HD2  LEU 621          2HD2      LEU 621  -2.272   6.479  -4.591
  496   3HD2  LEU 621          3HD2      LEU 621  -0.764   7.050  -3.874