*HEADER    SIGNALLING PROTEIN,LIGASE               10-NOV-05   2EZ5              
*TITLE     SOLUTION STRUCTURE OF THE DNEDD4 WW3* DOMAIN- COMM LPSY               
*TITLE    2 PEPTIDE COMPLEX                                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE NEDD4;                         
*COMPND   3 CHAIN: W;                                                            
*COMPND   4 FRAGMENT: WW3* DOMAIN;                                               
*COMPND   5 SYNONYM: DNEDD4;                                                     
*COMPND   6 EC: 6.3.2.-;                                                         
*COMPND   7 ENGINEERED: YES;                                                     
*COMPND   8 MOL_ID: 2;                                                           
*COMPND   9 MOLECULE: COMMISSURELESS LPSY PEPTIDE;                               
*COMPND  10 CHAIN: P;                                                            
*COMPND  11 FRAGMENT: RESIDUES 227-237;                                          
*COMPND  12 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER;                        
*SOURCE   3 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   4 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   5 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   6 MOL_ID: 2;                                                           
*SOURCE   7 SYNTHETIC: YES;                                                      
*SOURCE   8 OTHER_DETAILS: A PEPTIDE COMPRISING RESIDUES 227-237 OF              
*SOURCE   9 COMMISSURELESS FROM DROSOPHILA MELANOGASTER WAS MADE USING           
*SOURCE  10 STANDARD FMOC PEPTIDE SYNTHESIS                                      
*KEYWDS    NEDD4; WW DOMAIN; COMMISSURELESS; PY MOTIF; BINDING AFFINITY          
*EXPDTA    NMR, 30 STRUCTURES                                                    
*AUTHOR    V.KANELIS, M.C.BRUCE, N.R.SKRYNNIKOV, D.ROTIN, J.D.FORMAN-            
*AUTHOR   2 KAY                                                                  
*REVDAT   1   28-MAR-06 2EZ5    0                                                


! unambiguous NOEs assigned by ARIA1.0
 ASSI {    1}
   (( segid W   and resid 557   and name HD1 ))
   (( segid W   and resid 557   and name HE1 ))
      2.500     1.500     1.500 peak     1 weight  0.10000E+01 volume  0.79168E-02 ppm1      7.247 ppm2     10.189 CV     1
 ASSI {    1}
   (( segid P   and resid 227   and name HB ))
   (( segid W   and resid 557   and name HE1 ))
      3.700     3.200     2.300 peak     1 weight  0.10000E+01 volume  0.68334E-03 ppm1      4.195 ppm2     10.183 CV     1
 ASSI {    3}
   (( segid P   and resid 229   and name HB1 ))
   (( segid W   and resid 557   and name HE1 ))
      3.700     3.100     2.300 peak     3 weight  0.10000E+01 volume  0.17028E-02 ppm1      1.415 ppm2     10.185 CV     1
 ASSI {    4}
   (( segid P   and resid 229   and name HB2 ))
   (( segid W   and resid 557   and name HE1 ))
      3.100     2.300     2.300 peak     4 weight  0.10000E+01 volume  0.12618E-02 ppm1      0.724 ppm2     10.187 CV     1
 ASSI {    6}
   (( segid W   and resid 557   and name HB2 ))
   (( segid W   and resid 557   and name HE1 ))
      4.600     4.600     1.400 peak     6 weight  0.10000E+01 volume  0.63644E-03 ppm1      3.098 ppm2     10.181 CV     1
 ASSI {    7}
   (( segid W   and resid 535   and name HZ2 ))
   (( segid W   and resid 535   and name HE1 ))
      2.700     1.700     1.700 peak     7 weight  0.10000E+01 volume  0.56860E-02 ppm1      7.410 ppm2     10.116 CV     1
 ASSI {    8}
   (( segid W   and resid 535   and name HD1 ))
   (( segid W   and resid 535   and name HE1 ))
      2.200     1.200     1.200 peak     8 weight  0.10000E+01 volume  0.12188E-01 ppm1      7.304 ppm2     10.117 CV     1
 ASSI {    9}
   (( segid W   and resid 535   and name HH2 ))
   (( segid W   and resid 535   and name HE1 ))
      4.500     4.500     1.500 peak     9 weight  0.10000E+01 volume  0.88270E-03 ppm1      7.120 ppm2     10.124 CV     1
 ASSI {   11}
   (( segid W   and resid 535   and name HB1 ))
   (( segid W   and resid 535   and name HE1 ))
      4.500     4.500     1.500 peak    11 weight  0.10000E+01 volume  0.62173E-03 ppm1      3.199 ppm2     10.113 CV     1
 ASSI {   13}
   (( segid W   and resid 532   and name HB1 ))
   (( segid W   and resid 535   and name HE1 ))
      3.500     2.900     2.500 peak    13 weight  0.10000E+01 volume  0.19996E-02 ppm1      1.951 ppm2     10.119 CV     1
 ASSI {   16}
   (( segid W   and resid 560   and name HB1 ))
   (( segid W   and resid 535   and name HE1 ))
      3.700     3.100     2.300 peak    16 weight  0.10000E+01 volume  0.67916E-03 ppm1      0.883 ppm2     10.117 CV     1
 ASSI {   17}
   (( segid W   and resid 560   and name HG2 ))
   (( segid W   and resid 535   and name HE1 ))
      3.600     2.900     2.400 peak    17 weight  0.10000E+01 volume  0.66718E-03 ppm1      0.597 ppm2     10.115 CV     1
 ASSI {   20}
   (( segid W   and resid 548   and name HN ))
   (( segid W   and resid 536   and name HN ))
      2.700     1.700     1.700 peak    20 weight  0.10000E+01 volume  0.21382E-02 ppm1      9.185 ppm2      9.625 CV     1
 ASSI {   23}
   (( segid W   and resid 535   and name HE3 ))
   (( segid W   and resid 536   and name HN ))
      3.200     2.300     2.300 peak    23 weight  0.10000E+01 volume  0.10457E-02 ppm1      7.556 ppm2      9.631 CV     1
 ASSI {   27}
   (( segid W   and resid 536   and name HA ))
   (( segid W   and resid 536   and name HN ))
      2.800     1.900     1.900 peak    27 weight  0.10000E+01 volume  0.20189E-02 ppm1      4.949 ppm2      9.625 CV     1
 ASSI {   30}
   (( segid W   and resid 549   and name HA ))
   (( segid W   and resid 536   and name HN ))
      4.200     3.900     1.800 peak    30 weight  0.10000E+01 volume  0.73443E-03 ppm1      3.480 ppm2      9.620 CV     1
 ASSI {   31}
   (( segid W   and resid 535   and name HB1 ))
   (( segid W   and resid 536   and name HN ))
      3.600     3.000     2.400 peak    31 weight  0.10000E+01 volume  0.25552E-02 ppm1      3.236 ppm2      9.631 CV     1
 ASSI {   36}
   (( segid W   and resid 539   and name HN ))
   (( segid W   and resid 540   and name HN ))
      4.100     3.800     1.900 peak    36 weight  0.10000E+01 volume  0.99063E-03 ppm1      8.343 ppm2      9.392 CV     1
 ASSI {   37}
   ( segid W   and resid 546   and name HD% )
   (( segid W   and resid 540   and name HN ))
      2.800     1.800     1.800 peak    37 weight  0.10000E+01 volume  0.29038E-02 ppm1      7.032 ppm2      9.390 CV     1
 ASSI {   39}
   (( segid W   and resid 539   and name HA ))
   (( segid W   and resid 540   and name HN ))
      1.900     0.900     0.900 peak    39 weight  0.10000E+01 volume  0.12246E-01 ppm1      4.424 ppm2      9.392 CV     1
 ASSI {   43}
   ( segid W   and resid 546   and name HE% )
   (( segid W   and resid 540   and name HN ))
      3.300     2.500     2.500 peak    43 weight  0.10000E+01 volume  0.13073E-02 ppm1      6.761 ppm2      9.394 CV     1
 ASSI {   44}
   (( segid W   and resid 541   and name HD2 ))
   (( segid W   and resid 540   and name HN ))
      4.200     4.000     1.800 peak    44 weight  0.10000E+01 volume  0.12708E-02 ppm1      3.882 ppm2      9.392 CV     1
 ASSI {   45}
   (( segid W   and resid 545   and name HN ))
   (( segid W   and resid 546   and name HN ))
      4.500     4.500     1.500 peak    45 weight  0.10000E+01 volume  0.63080E-03 ppm1      8.977 ppm2      9.348 CV     1
 ASSI {   46}
   (( segid W   and resid 538   and name HN ))
   (( segid W   and resid 546   and name HN ))
      2.800     1.800     1.800 peak    46 weight  0.10000E+01 volume  0.26364E-02 ppm1      8.067 ppm2      9.350 CV     1
 ASSI {   47}
   ( segid W   and resid 546   and name HD% )
   (( segid W   and resid 546   and name HN ))
      2.400     1.400     1.400 peak    47 weight  0.10000E+01 volume  0.42331E-02 ppm1      7.035 ppm2      9.352 CV     1
 ASSI {   48}
   ( segid W   and resid 546   and name HE% )
   (( segid W   and resid 546   and name HN ))
      3.900     3.500     2.100 peak    48 weight  0.10000E+01 volume  0.80720E-03 ppm1      6.760 ppm2      9.350 CV     1
 ASSI {   50}
   (( segid W   and resid 545   and name HA ))
   (( segid W   and resid 546   and name HN ))
      2.200     1.100     1.100 peak    50 weight  0.10000E+01 volume  0.76686E-02 ppm1      4.714 ppm2      9.350 CV     1
 ASSI {   51}
   (( segid W   and resid 539   and name HA ))
   (( segid W   and resid 546   and name HN ))
      3.300     2.500     2.500 peak    51 weight  0.10000E+01 volume  0.24959E-02 ppm1      4.424 ppm2      9.352 CV     1
 ASSI {   52}
   (( segid W   and resid 545   and name HB ))
   (( segid W   and resid 546   and name HN ))
      3.400     2.600     2.600 peak    52 weight  0.10000E+01 volume  0.96506E-03 ppm1      4.036 ppm2      9.348 CV     1
 ASSI {   53}
   (( segid W   and resid 546   and name HB2 ))
   (( segid W   and resid 546   and name HN ))
      3.200     2.400     2.400 peak    53 weight  0.10000E+01 volume  0.10434E-02 ppm1      3.181 ppm2      9.348 CV     1
 ASSI {   57}
   ( segid W   and resid 545   and name HG2%) 
   (( segid W   and resid 546   and name HN ))
      3.200     2.300     2.300 peak    57 weight  0.10000E+01 volume  0.58965E-02 ppm1      0.830 ppm2      9.350 CV     1
 ASSI {   58}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 548   and name HN ))
      3.700     3.100     2.300 peak    58 weight  0.10000E+01 volume  0.13555E-02 ppm1      7.087 ppm2      9.179 CV     1
 ASSI {   60}
   (( segid W   and resid 535   and name HE3 ))
   (( segid W   and resid 548   and name HN ))
      3.200     2.400     2.400 peak    60 weight  0.10000E+01 volume  0.15335E-02 ppm1      7.558 ppm2      9.179 CV     1
 ASSI {   62}
   (( segid W   and resid 535   and name HA ))
   (( segid W   and resid 548   and name HN ))
      4.600     4.600     1.400 peak    62 weight  0.10000E+01 volume  0.55499E-03 ppm1      6.246 ppm2      9.181 CV     1
 ASSI {   63}
   (( segid W   and resid 547   and name HA ))
   (( segid W   and resid 548   and name HN ))
      2.100     1.100     1.100 peak    63 weight  0.10000E+01 volume  0.94013E-02 ppm1      5.128 ppm2      9.181 CV     1
 ASSI {   64}
   (( segid W   and resid 548   and name HA ))
   (( segid W   and resid 548   and name HN ))
      2.900     1.900     1.900 peak    64 weight  0.10000E+01 volume  0.16905E-02 ppm1      4.227 ppm2      9.179 CV     1
 ASSI {   66}
   (( segid W   and resid 547   and name HB2 ))
   (( segid W   and resid 548   and name HN ))
      4.100     3.700     1.900 peak    66 weight  0.10000E+01 volume  0.12676E-02 ppm1      3.182 ppm2      9.179 CV     1
 ASSI {   68}
   (( segid W   and resid 548   and name HB ))
   (( segid W   and resid 548   and name HN ))
      2.300     1.300     1.300 peak    68 weight  0.10000E+01 volume  0.41431E-02 ppm1      1.456 ppm2      9.179 CV     1
 ASSI {   69}
   (( segid W   and resid 548   and name HG12)) 
   (( segid W   and resid 548   and name HN ))
      2.500     1.600     1.600 peak    69 weight  0.10000E+01 volume  0.24207E-02 ppm1      1.109 ppm2      9.181 CV     1
 ASSI {   72}
   ( segid W   and resid 548   and name HG2%) 
   (( segid W   and resid 548   and name HN ))
      3.800     3.300     2.200 peak    72 weight  0.10000E+01 volume  0.17015E-02 ppm1      0.164 ppm2      9.179 CV     1
 ASSI {   75}
   ( segid W   and resid 546   and name HD% )
   (( segid W   and resid 556   and name HN ))
      3.200     2.300     2.300 peak    75 weight  0.10000E+01 volume  0.20539E-02 ppm1      7.045 ppm2      9.126 CV     1
 ASSI {   76}
   (( segid W   and resid 555   and name HA ))
   (( segid W   and resid 556   and name HN ))
      2.200     1.200     1.200 peak    76 weight  0.10000E+01 volume  0.82382E-02 ppm1      5.523 ppm2      9.124 CV     1
 ASSI {   77}
   (( segid W   and resid 556   and name HA ))
   (( segid W   and resid 556   and name HN ))
      2.800     1.800     1.800 peak    77 weight  0.10000E+01 volume  0.20845E-02 ppm1      4.672 ppm2      9.122 CV     1
 ASSI {   78}
   (( segid W   and resid 556   and name HB ))
   (( segid W   and resid 556   and name HN ))
      3.300     2.600     2.600 peak    78 weight  0.10000E+01 volume  0.14230E-02 ppm1      4.431 ppm2      9.122 CV     1
 ASSI {   79}
   (( segid W   and resid 555   and name HB ))
   (( segid W   and resid 556   and name HN ))
      2.300     1.300     1.300 peak    79 weight  0.10000E+01 volume  0.48814E-02 ppm1      4.183 ppm2      9.124 CV     1
 ASSI {   80}
   (( segid W   and resid 547   and name HB1 ))
   (( segid W   and resid 556   and name HN ))
      4.200     3.900     1.800 peak    80 weight  0.10000E+01 volume  0.59779E-03 ppm1      3.346 ppm2      9.124 CV     1
 ASSI {   82}
   (( segid W   and resid 546   and name HB1 ))
   (( segid W   and resid 556   and name HN ))
      3.000     2.100     2.100 peak    82 weight  0.10000E+01 volume  0.88154E-03 ppm1      2.573 ppm2      9.122 CV     1
 ASSI {   83}
   ( segid W   and resid 556   and name HG2%) 
   (( segid W   and resid 556   and name HN ))
      2.300     2.300     3.700 peak    83 weight  0.10000E+01 volume  0.71618E-02 ppm1      1.635 ppm2      9.124 CV     1
 ASSI {   85}
   ( segid P   and resid 229   and name HD1%) 
   (( segid W   and resid 556   and name HN ))
      3.700     3.100     2.300 peak    85 weight  0.10000E+01 volume  0.49058E-03 ppm1      0.180 ppm2      9.119 CV     1
 ASSI {   86}
   (( segid W   and resid 546   and name HA ))
   (( segid W   and resid 556   and name HN ))
      4.700     4.700     1.300 peak    86 weight  0.10000E+01 volume  0.56656E-03 ppm1      5.194 ppm2      9.117 CV     1
 ASSI {   87}
   (( segid W   and resid 546   and name HN ))
   (( segid W   and resid 547   and name HN ))
      4.400     4.300     1.600 peak    87 weight  0.10000E+01 volume  0.57537E-03 ppm1      9.362 ppm2      9.119 CV     1
 ASSI {   89}
   (( segid W   and resid 557   and name HA ))
   (( segid W   and resid 547   and name HN ))
      3.600     2.900     2.400 peak    89 weight  0.10000E+01 volume  0.10921E-02 ppm1      5.474 ppm2      9.119 CV     1
 ASSI {   91}
   (( segid W   and resid 547   and name HB1 ))
   (( segid W   and resid 547   and name HN ))
      3.600     3.000     2.400 peak    91 weight  0.10000E+01 volume  0.17247E-02 ppm1      3.352 ppm2      9.122 CV     1
 ASSI {   93}
   (( segid W   and resid 546   and name HB1 ))
   (( segid W   and resid 547   and name HN ))
      2.300     2.300     3.700 peak    93 weight  0.10000E+01 volume  0.40856E-02 ppm1      2.576 ppm2      9.119 CV     1
 ASSI {   94}
   ( segid W   and resid 556   and name HG2%) 
   (( segid W   and resid 547   and name HN ))
      3.300     2.500     2.500 peak    94 weight  0.10000E+01 volume  0.15347E-02 ppm1      1.637 ppm2      9.119 CV     1
 ASSI {   98}
   (( segid W   and resid 544   and name HN ))
   (( segid W   and resid 545   and name HN ))
      4.300     4.100     1.700 peak    98 weight  0.10000E+01 volume  0.78064E-03 ppm1      8.103 ppm2      8.971 CV     1
 ASSI {   99}
   (( segid W   and resid 545   and name HA ))
   (( segid W   and resid 545   and name HN ))
      2.900     2.000     2.000 peak    99 weight  0.10000E+01 volume  0.16042E-02 ppm1      4.712 ppm2      8.978 CV     1
 ASSI {  102}
   (( segid W   and resid 544   and name HB1 ))
   (( segid W   and resid 545   and name HN ))
      4.200     3.900     1.800 peak   102 weight  0.10000E+01 volume  0.15741E-02 ppm1      1.914 ppm2      8.974 CV     1
 ASSI {  103}
   (( segid W   and resid 544   and name HB2 ))
   (( segid W   and resid 545   and name HN ))
      2.900     1.900     1.900 peak   103 weight  0.10000E+01 volume  0.26975E-02 ppm1      1.496 ppm2      8.978 CV     1
 ASSI {  108}
   (( segid W   and resid 534   and name HD1 ))
   (( segid W   and resid 534   and name HN ))
      3.800     3.200     2.200 peak   108 weight  0.10000E+01 volume  0.75756E-03 ppm1      3.177 ppm2      8.906 CV     1
 ASSI {  111}
   (( segid W   and resid 533   and name HB1 ))
   (( segid W   and resid 534   and name HN ))
      3.800     3.200     2.200 peak   111 weight  0.10000E+01 volume  0.96047E-03 ppm1      1.936 ppm2      8.910 CV     1
 ASSI {  112}
   (( segid W   and resid 534   and name HG1 ))
   (( segid W   and resid 534   and name HN ))
      4.600     4.600     1.400 peak   112 weight  0.10000E+01 volume  0.84260E-03 ppm1      1.652 ppm2      8.906 CV     1
 ASSI {  113}
   (( segid W   and resid 534   and name HG2 ))
   (( segid W   and resid 534   and name HN ))
      3.200     2.400     2.400 peak   113 weight  0.10000E+01 volume  0.94995E-03 ppm1      1.475 ppm2      8.906 CV     1
 ASSI {  114}
   (( segid W   and resid 540   and name HN ))
   (( segid W   and resid 543   and name HN ))
      3.700     3.100     2.300 peak   114 weight  0.10000E+01 volume  0.57604E-03 ppm1      9.410 ppm2      8.713 CV     1
 ASSI {  119}
   (( segid W   and resid 542   and name HB1 ))
   (( segid W   and resid 543   and name HN ))
      4.400     4.400     1.600 peak   119 weight  0.10000E+01 volume  0.67358E-03 ppm1      2.892 ppm2      8.711 CV     1
 ASSI {  121}
   ( segid W   and resid 539   and name HG1%) 
   (( segid W   and resid 543   and name HN ))
      3.000     2.100     2.100 peak   121 weight  0.10000E+01 volume  0.29807E-02 ppm1      0.973 ppm2      8.709 CV     1
 ASSI {  122}
   (( segid W   and resid 536   and name HN ))
   (( segid W   and resid 537   and name HN ))
      4.200     3.900     1.800 peak   122 weight  0.10000E+01 volume  0.76221E-03 ppm1      9.641 ppm2      8.690 CV     1
 ASSI {  125}
   (( segid W   and resid 536   and name HA ))
   (( segid W   and resid 537   and name HN ))
      2.300     1.300     1.300 peak   125 weight  0.10000E+01 volume  0.78785E-02 ppm1      4.950 ppm2      8.692 CV     1
 ASSI {  126}
   (( segid W   and resid 536   and name HB2 ))
   (( segid W   and resid 537   and name HN ))
      2.200     1.200     1.200 peak   126 weight  0.10000E+01 volume  0.46340E-02 ppm1      4.032 ppm2      8.690 CV     1
 ASSI {  128}
   (( segid W   and resid 537   and name HG2 ))
   (( segid W   and resid 537   and name HN ))
      3.100     2.300     2.300 peak   128 weight  0.10000E+01 volume  0.34142E-02 ppm1      2.274 ppm2      8.692 CV     1
 ASSI {  129}
   (( segid W   and resid 537   and name HG1 ))
   (( segid W   and resid 537   and name HN ))
      3.700     3.100     2.300 peak   129 weight  0.10000E+01 volume  0.19131E-02 ppm1      2.156 ppm2      8.692 CV     1
 ASSI {  131}
   (( segid W   and resid 537   and name HB2 ))
   (( segid W   and resid 537   and name HN ))
      2.800     1.800     1.800 peak   131 weight  0.10000E+01 volume  0.15973E-02 ppm1      1.674 ppm2      8.690 CV     1
 ASSI {  132}
   (( segid W   and resid 548   and name HB ))
   (( segid W   and resid 537   and name HN ))
      5.300     5.300     0.700 peak   132 weight  0.10000E+01 volume  0.56760E-03 ppm1      1.460 ppm2      8.692 CV     1
 ASSI {  133}
   ( segid W   and resid 531   and name HD1%) 
   (( segid W   and resid 537   and name HN ))
      3.100     2.200     2.200 peak   133 weight  0.10000E+01 volume  0.26876E-02 ppm1      1.050 ppm2      8.690 CV     1
 ASSI {  137}
   (( segid W   and resid 557   and name HN ))
   (( segid W   and resid 558   and name HN ))
      2.500     1.500     1.500 peak   137 weight  0.10000E+01 volume  0.42622E-02 ppm1      8.830 ppm2      8.680 CV     1
 ASSI {  138}
   (( segid W   and resid 559   and name HN ))
   (( segid W   and resid 558   and name HN ))
      4.600     4.600     1.400 peak   138 weight  0.10000E+01 volume  0.58866E-03 ppm1      7.927 ppm2      8.675 CV     1
 ASSI {  139}
   (( segid W   and resid 557   and name HA ))
   (( segid W   and resid 558   and name HN ))
      3.500     2.800     2.500 peak   139 weight  0.10000E+01 volume  0.89619E-03 ppm1      5.466 ppm2      8.684 CV     1
 ASSI {  142}
   (( segid W   and resid 558   and name HA ))
   (( segid W   and resid 558   and name HN ))
      2.800     1.800     1.800 peak   142 weight  0.10000E+01 volume  0.22869E-02 ppm1      3.791 ppm2      8.684 CV     1
 ASSI {  143}
   (( segid W   and resid 558   and name HB ))
   (( segid W   and resid 558   and name HN ))
      2.500     1.500     1.500 peak   143 weight  0.10000E+01 volume  0.52719E-02 ppm1      1.927 ppm2      8.682 CV     1
 ASSI {  145}
   (( segid W   and resid 558   and name HG11)) 
   (( segid W   and resid 558   and name HN ))
      2.500     1.500     1.500 peak   145 weight  0.10000E+01 volume  0.30364E-02 ppm1      1.245 ppm2      8.684 CV     1
 ASSI {  148}
   (( segid W   and resid 557   and name HB2 ))
   (( segid W   and resid 558   and name HN ))
      3.100     2.200     2.200 peak   148 weight  0.10000E+01 volume  0.10480E-02 ppm1      3.102 ppm2      8.682 CV     1
 ASSI {  149}
   (( segid W   and resid 525   and name HA ))
   (( segid W   and resid 526   and name HN ))
      3.700     3.000     2.300 peak   149 weight  0.10000E+01 volume  0.79546E-03 ppm1      4.434 ppm2      8.631 CV     1
 ASSI {  150}
   (( segid W   and resid 526   and name HA2 ))
   (( segid W   and resid 526   and name HN ))
      3.600     3.000     2.400 peak   150 weight  0.10000E+01 volume  0.90810E-03 ppm1      3.962 ppm2      8.629 CV     1
 OR {  150}
   (( segid W   and resid 526   and name HA1 ))
   (( segid W   and resid 526   and name HN ))
 ASSI {  151}
   (( segid W   and resid 523   and name HA ))
   (( segid W   and resid 524   and name HN ))
      3.500     2.800     2.500 peak   151 weight  0.10000E+01 volume  0.88590E-03 ppm1      4.334 ppm2      8.540 CV     1
 ASSI {  153}
   (( segid W   and resid 524   and name HA2 ))
   (( segid W   and resid 524   and name HN ))
      3.700     3.200     2.300 peak   153 weight  0.10000E+01 volume  0.72664E-03 ppm1      3.986 ppm2      8.530 CV     1
 OR {  153}
   (( segid W   and resid 524   and name HA1 ))
   (( segid W   and resid 524   and name HN ))
 ASSI {  154}
   (( segid W   and resid 564   and name HN ))
   (( segid W   and resid 563   and name HN ))
      3.100     2.200     2.200 peak   154 weight  0.10000E+01 volume  0.92868E-03 ppm1      8.162 ppm2      8.530 CV     1
 ASSI {  155}
   (( segid W   and resid 562   and name HN ))
   (( segid W   and resid 563   and name HN ))
      2.600     1.600     1.600 peak   155 weight  0.10000E+01 volume  0.24854E-02 ppm1      7.164 ppm2      8.525 CV     1
 ASSI {  156}
   (( segid W   and resid 562   and name HA ))
   (( segid W   and resid 563   and name HN ))
      3.500     2.800     2.500 peak   156 weight  0.10000E+01 volume  0.13132E-02 ppm1      4.614 ppm2      8.532 CV     1
 ASSI {  158}
   (( segid W   and resid 563   and name HA2 ))
   (( segid W   and resid 563   and name HN ))
      2.600     1.600     1.600 peak   158 weight  0.10000E+01 volume  0.29157E-02 ppm1      3.648 ppm2      8.527 CV     1
 ASSI {  159}
   ( segid W   and resid 558   and name HG2%) 
   (( segid W   and resid 563   and name HN ))
      4.200     3.900     1.800 peak   159 weight  0.10000E+01 volume  0.85812E-03 ppm1      0.563 ppm2      8.527 CV     1
 ASSI {  161}
   (( segid W   and resid 561   and name HE ))
   (( segid W   and resid 561   and name HN ))
      3.500     2.800     2.500 peak   161 weight  0.10000E+01 volume  0.25456E-02 ppm1      8.852 ppm2      8.472 CV     1
 ASSI {  163}
   (( segid W   and resid 532   and name HD1 ))
   (( segid W   and resid 561   and name HN ))
      4.100     3.800     1.900 peak   163 weight  0.10000E+01 volume  0.50832E-03 ppm1      3.304 ppm2      8.468 CV     1
 ASSI {  164}
   (( segid W   and resid 559   and name HB2 ))
   (( segid W   and resid 561   and name HN ))
      4.300     4.000     1.700 peak   164 weight  0.10000E+01 volume  0.53933E-03 ppm1      3.096 ppm2      8.470 CV     1
 ASSI {  166}
   (( segid W   and resid 560   and name HD2 ))
   (( segid W   and resid 561   and name HN ))
      2.900     2.000     2.000 peak   166 weight  0.10000E+01 volume  0.12387E-02 ppm1      2.714 ppm2      8.477 CV     1
 ASSI {  167}
   (( segid W   and resid 559   and name HA ))
   (( segid W   and resid 561   and name HN ))
      3.800     3.300     2.200 peak   167 weight  0.10000E+01 volume  0.94937E-03 ppm1      2.328 ppm2      8.475 CV     1
 ASSI {  168}
   (( segid W   and resid 561   and name HG1 ))
   (( segid W   and resid 561   and name HN ))
      2.400     1.400     1.400 peak   168 weight  0.10000E+01 volume  0.51540E-02 ppm1      1.744 ppm2      8.475 CV     1
 OR {  168}
   (( segid W   and resid 561   and name HB1 ))
   (( segid W   and resid 561   and name HN ))
 ASSI {  169}
   (( segid W   and resid 561   and name HB2 ))
   (( segid W   and resid 561   and name HN ))
      2.900     2.000     2.000 peak   169 weight  0.10000E+01 volume  0.37624E-02 ppm1      1.559 ppm2      8.477 CV     1
 ASSI {  170}
   (( segid W   and resid 561   and name HG2 ))
   (( segid W   and resid 561   and name HN ))
      2.400     1.400     1.400 peak   170 weight  0.10000E+01 volume  0.29319E-02 ppm1      1.148 ppm2      8.475 CV     1
 ASSI {  171}
   (( segid W   and resid 560   and name HB1 ))
   (( segid W   and resid 561   and name HN ))
      3.600     3.000     2.400 peak   171 weight  0.10000E+01 volume  0.18508E-02 ppm1      0.865 ppm2      8.475 CV     1
 ASSI {  172}
   (( segid W   and resid 560   and name HG2 ))
   (( segid W   and resid 561   and name HN ))
      3.900     3.500     2.100 peak   172 weight  0.10000E+01 volume  0.13558E-02 ppm1      0.579 ppm2      8.475 CV     1
 ASSI {  173}
   (( segid W   and resid 560   and name HG1 ))
   (( segid W   and resid 561   and name HN ))
      2.900     2.000     2.000 peak   173 weight  0.10000E+01 volume  0.85835E-03 ppm1      0.169 ppm2      8.477 CV     1
 ASSI {  174}
   (( segid W   and resid 565   and name HA ))
   (( segid W   and resid 565   and name HN ))
      3.300     2.500     2.500 peak   174 weight  0.10000E+01 volume  0.10581E-02 ppm1      4.599 ppm2      8.610 CV     1
 ASSI {  175}
   (( segid W   and resid 564   and name HA ))
   (( segid W   and resid 565   and name HN ))
      2.500     1.500     1.500 peak   175 weight  0.10000E+01 volume  0.51868E-02 ppm1      4.434 ppm2      8.608 CV     1
 ASSI {  176}
   (( segid W   and resid 564   and name HB1 ))
   (( segid W   and resid 565   and name HN ))
      3.300     2.500     2.500 peak   176 weight  0.10000E+01 volume  0.85120E-03 ppm1      1.776 ppm2      8.606 CV     1
 ASSI {  178}
   (( segid W   and resid 564   and name HG1 ))
   (( segid W   and resid 565   and name HN ))
      4.700     4.700     1.300 peak   178 weight  0.10000E+01 volume  0.69886E-03 ppm1      1.508 ppm2      8.606 CV     1
 ASSI {  179}
   ( segid W   and resid 565   and name HB% )
   (( segid W   and resid 565   and name HN ))
      2.800     1.800     1.800 peak   179 weight  0.10000E+01 volume  0.38499E-02 ppm1      1.370 ppm2      8.606 CV     1
 ASSI {  183}
   (( segid W   and resid 557   and name HD1 ))
   (( segid W   and resid 557   and name HN ))
      3.300     2.500     2.500 peak   183 weight  0.10000E+01 volume  0.15963E-02 ppm1      7.251 ppm2      8.826 CV     1
 ASSI {  184}
   (( segid W   and resid 557   and name HA ))
   (( segid W   and resid 557   and name HN ))
      2.800     1.800     1.800 peak   184 weight  0.10000E+01 volume  0.24321E-02 ppm1      5.465 ppm2      8.826 CV     1
 ASSI {  185}
   (( segid W   and resid 556   and name HA ))
   (( segid W   and resid 557   and name HN ))
      2.200     1.200     1.200 peak   185 weight  0.10000E+01 volume  0.73763E-02 ppm1      4.669 ppm2      8.828 CV     1
 ASSI {  187}
   (( segid W   and resid 557   and name HB1 ))
   (( segid W   and resid 557   and name HN ))
      3.700     3.000     2.300 peak   187 weight  0.10000E+01 volume  0.24902E-02 ppm1      3.872 ppm2      8.826 CV     1
 ASSI {  188}
   (( segid W   and resid 557   and name HB2 ))
   (( segid W   and resid 557   and name HN ))
      2.400     1.400     1.400 peak   188 weight  0.10000E+01 volume  0.39282E-02 ppm1      3.099 ppm2      8.828 CV     1
 ASSI {  189}
   (( segid W   and resid 558   and name HB ))
   (( segid W   and resid 557   and name HN ))
      4.600     4.600     1.400 peak   189 weight  0.10000E+01 volume  0.77122E-03 ppm1      1.927 ppm2      8.832 CV     1
 ASSI {  191}
   (( segid W   and resid 558   and name HG11)) 
   (( segid W   and resid 557   and name HN ))
      4.300     4.000     1.700 peak   191 weight  0.10000E+01 volume  0.73182E-03 ppm1      1.248 ppm2      8.830 CV     1
 ASSI {  194}
   ( segid P   and resid 229   and name HD1%) 
   (( segid W   and resid 557   and name HN ))
      3.600     2.900     2.400 peak   194 weight  0.10000E+01 volume  0.80912E-03 ppm1      0.236 ppm2      8.826 CV     1
 ASSI {  195}
   (( segid W   and resid 561   and name HH21)) 
   (( segid W   and resid 529   and name HN ))
      3.900     3.400     2.100 peak   195 weight  0.10000E+01 volume  0.55717E-03 ppm1      7.051 ppm2      8.523 CV     1
 ASSI {  196}
   (( segid W   and resid 561   and name HD1 ))
   (( segid W   and resid 529   and name HN ))
      4.500     4.500     1.500 peak   196 weight  0.10000E+01 volume  0.57433E-03 ppm1      2.837 ppm2      8.525 CV     1
 OR {  196}
   (( segid W   and resid 561   and name HD2 ))
   (( segid W   and resid 529   and name HN ))
 ASSI {  197}
   (( segid W   and resid 529   and name HA ))
   (( segid W   and resid 529   and name HN ))
      2.600     1.600     1.600 peak   197 weight  0.10000E+01 volume  0.38472E-02 ppm1      4.480 ppm2      8.525 CV     1
 ASSI {  198}
   (( segid W   and resid 528   and name HA ))
   (( segid W   and resid 529   and name HN ))
      2.200     1.200     1.200 peak   198 weight  0.10000E+01 volume  0.11168E-01 ppm1      4.239 ppm2      8.532 CV     1
 ASSI {  199}
   (( segid W   and resid 530   and name HD2 ))
   (( segid W   and resid 529   and name HN ))
      4.500     4.500     1.500 peak   199 weight  0.10000E+01 volume  0.66329E-03 ppm1      3.789 ppm2      8.527 CV     1
 ASSI {  200}
   (( segid W   and resid 530   and name HD1 ))
   (( segid W   and resid 529   and name HN ))
      4.700     4.700     1.300 peak   200 weight  0.10000E+01 volume  0.75989E-03 ppm1      3.656 ppm2      8.523 CV     1
 ASSI {  206}
   (( segid W   and resid 523   and name HB1 ))
   (( segid W   and resid 523   and name HN ))
      4.300     4.200     1.700 peak   206 weight  0.10000E+01 volume  0.60744E-03 ppm1      1.648 ppm2      8.612 CV     1
 OR {  206}
   (( segid W   and resid 523   and name HG ))
   (( segid W   and resid 523   and name HN ))
 ASSI {  207}
   (( segid W   and resid 522   and name HA ))
   (( segid W   and resid 523   and name HN ))
      3.400     2.700     2.600 peak   207 weight  0.10000E+01 volume  0.11159E-02 ppm1      4.454 ppm2      8.614 CV     1
 ASSI {  208}
   (( segid W   and resid 536   and name HN ))
   (( segid W   and resid 550   and name HN ))
      4.600     4.600     1.400 peak   208 weight  0.10000E+01 volume  0.68741E-03 ppm1      9.628 ppm2      8.525 CV     1
 ASSI {  209}
   (( segid W   and resid 551   and name HN ))
   (( segid W   and resid 550   and name HN ))
      2.300     1.300     1.300 peak   209 weight  0.10000E+01 volume  0.43743E-02 ppm1      8.311 ppm2      8.523 CV     1
 ASSI {  210}
   (( segid W   and resid 552   and name HN ))
   (( segid W   and resid 550   and name HN ))
      4.200     3.900     1.800 peak   210 weight  0.10000E+01 volume  0.56248E-03 ppm1      6.987 ppm2      8.519 CV     1
 ASSI {  211}
   (( segid W   and resid 550   and name HD2 ))
   (( segid W   and resid 550   and name HN ))
      2.600     1.600     1.600 peak   211 weight  0.10000E+01 volume  0.28008E-02 ppm1      6.794 ppm2      8.519 CV     1
 ASSI {  212}
   (( segid W   and resid 535   and name HA ))
   (( segid W   and resid 550   and name HN ))
      3.000     2.100     2.100 peak   212 weight  0.10000E+01 volume  0.22313E-02 ppm1      6.248 ppm2      8.521 CV     1
 ASSI {  213}
   (( segid W   and resid 549   and name HA ))
   (( segid W   and resid 550   and name HN ))
      2.100     1.100     1.100 peak   213 weight  0.10000E+01 volume  0.87828E-02 ppm1      3.478 ppm2      8.521 CV     1
 ASSI {  214}
   (( segid W   and resid 550   and name HB1 ))
   (( segid W   and resid 550   and name HN ))
      3.100     2.200     2.200 peak   214 weight  0.10000E+01 volume  0.58186E-02 ppm1      3.088 ppm2      8.520 CV     1
 ASSI {  215}
   ( segid W   and resid 551   and name HB% )
   (( segid W   and resid 550   and name HN ))
      4.300     4.200     1.700 peak   215 weight  0.10000E+01 volume  0.11491E-02 ppm1      1.411 ppm2      8.517 CV     1
 ASSI {  216}
   (( segid W   and resid 549   and name HB1 ))
   (( segid W   and resid 550   and name HN ))
      4.400     4.300     1.600 peak   216 weight  0.10000E+01 volume  0.82975E-03 ppm1      0.591 ppm2      8.519 CV     1
 ASSI {  217}
   ( segid W   and resid 548   and name HG2%) 
   (( segid W   and resid 550   and name HN ))
      3.900     3.500     2.100 peak   217 weight  0.10000E+01 volume  0.10317E-02 ppm1      0.166 ppm2      8.515 CV     1
 ASSI {  223}
   (( segid W   and resid 532   and name HD1 ))
   (( segid W   and resid 531   and name HN ))
      3.900     3.500     2.100 peak   223 weight  0.10000E+01 volume  0.87096E-03 ppm1      3.303 ppm2      8.551 CV     1
 ASSI {  224}
   (( segid W   and resid 532   and name HD2 ))
   (( segid W   and resid 531   and name HN ))
      4.100     3.800     1.900 peak   224 weight  0.10000E+01 volume  0.11631E-02 ppm1      2.867 ppm2      8.553 CV     1
 ASSI {  225}
   (( segid W   and resid 530   and name HB1 ))
   (( segid W   and resid 531   and name HN ))
      3.200     2.400     2.400 peak   225 weight  0.10000E+01 volume  0.29884E-02 ppm1      2.273 ppm2      8.553 CV     1
 ASSI {  226}
   (( segid W   and resid 531   and name HG ))
   (( segid W   and resid 531   and name HN ))
      2.200     1.200     1.200 peak   226 weight  0.10000E+01 volume  0.88456E-02 ppm1      1.784 ppm2      8.549 CV     1
 OR {  226}
   (( segid W   and resid 531   and name HB1 ))
   (( segid W   and resid 531   and name HN ))
 ASSI {  228}
   ( segid W   and resid 531   and name HD1%) 
   (( segid W   and resid 531   and name HN ))
      3.600     2.900     2.400 peak   228 weight  0.10000E+01 volume  0.22067E-02 ppm1      1.048 ppm2      8.551 CV     1
 ASSI {  235}
   (( segid W   and resid 552   and name HN ))
   (( segid W   and resid 551   and name HN ))
      2.200     1.200     1.200 peak   235 weight  0.10000E+01 volume  0.67061E-02 ppm1      6.991 ppm2      8.316 CV     1
 ASSI {  237}
   (( segid W   and resid 549   and name HA ))
   (( segid W   and resid 551   and name HN ))
      3.600     2.900     2.400 peak   237 weight  0.10000E+01 volume  0.17588E-02 ppm1      3.474 ppm2      8.315 CV     1
 ASSI {  238}
   (( segid W   and resid 550   and name HB1 ))
   (( segid W   and resid 551   and name HN ))
      3.600     2.900     2.400 peak   238 weight  0.10000E+01 volume  0.27289E-02 ppm1      3.098 ppm2      8.314 CV     1
 ASSI {  239}
   (( segid W   and resid 534   and name HB1 ))
   (( segid W   and resid 551   and name HN ))
      2.600     1.600     1.600 peak   239 weight  0.10000E+01 volume  0.12327E-02 ppm1      2.386 ppm2      8.318 CV     1
 ASSI {  241}
   (( segid W   and resid 534   and name HG1 ))
   (( segid W   and resid 551   and name HN ))
      4.300     4.200     1.700 peak   241 weight  0.10000E+01 volume  0.58878E-03 ppm1      1.673 ppm2      8.311 CV     1
 ASSI {  242}
   ( segid W   and resid 551   and name HB% )
   (( segid W   and resid 551   and name HN ))
      2.100     1.100     1.100 peak   242 weight  0.10000E+01 volume  0.12855E-01 ppm1      1.406 ppm2      8.314 CV     1
 ASSI {  244}
   (( segid W   and resid 558   and name HN ))
   (( segid W   and resid 566   and name HN ))
      4.300     4.100     1.700 peak   244 weight  0.10000E+01 volume  0.58669E-03 ppm1      8.685 ppm2      8.430 CV     1
 ASSI {  246}
   (( segid W   and resid 565   and name HA ))
   (( segid W   and resid 566   and name HN ))
      2.100     1.100     1.100 peak   246 weight  0.10000E+01 volume  0.10959E-01 ppm1      4.594 ppm2      8.428 CV     1
 ASSI {  247}
   (( segid W   and resid 566   and name HA ))
   (( segid W   and resid 566   and name HN ))
      2.700     1.700     1.700 peak   247 weight  0.10000E+01 volume  0.39245E-02 ppm1      4.267 ppm2      8.422 CV     1
 ASSI {  248}
   (( segid W   and resid 566   and name HB2 ))
   (( segid W   and resid 566   and name HN ))
      2.700     1.800     1.800 peak   248 weight  0.10000E+01 volume  0.54852E-02 ppm1      4.082 ppm2      8.430 CV     1
 ASSI {  249}
   (( segid W   and resid 558   and name HA ))
   (( segid W   and resid 566   and name HN ))
      3.400     2.600     2.600 peak   249 weight  0.10000E+01 volume  0.14947E-02 ppm1      3.826 ppm2      8.426 CV     1
 ASSI {  257}
   (( segid W   and resid 538   and name HG1 ))
   (( segid W   and resid 539   and name HN ))
      2.900     2.000     2.000 peak   257 weight  0.10000E+01 volume  0.31320E-02 ppm1      2.097 ppm2      8.331 CV     1
 OR {  257}
   (( segid W   and resid 538   and name HG2 ))
   (( segid W   and resid 539   and name HN ))
 ASSI {  258}
   (( segid W   and resid 539   and name HB ))
   (( segid W   and resid 539   and name HN ))
      2.400     1.400     1.400 peak   258 weight  0.10000E+01 volume  0.76001E-02 ppm1      1.880 ppm2      8.336 CV     1
 ASSI {  265}
   (( segid W   and resid 550   and name HN ))
   (( segid W   and resid 549   and name HN ))
      4.200     3.900     1.800 peak   265 weight  0.10000E+01 volume  0.76657E-03 ppm1      8.520 ppm2      8.265 CV     1
 ASSI {  266}
   (( segid W   and resid 554   and name HN ))
   (( segid W   and resid 549   and name HN ))
      3.000     2.100     2.100 peak   266 weight  0.10000E+01 volume  0.19440E-02 ppm1      7.430 ppm2      8.261 CV     1
 ASSI {  269}
   (( segid W   and resid 548   and name HA ))
   (( segid W   and resid 549   and name HN ))
      2.100     1.100     1.100 peak   269 weight  0.10000E+01 volume  0.92414E-02 ppm1      4.226 ppm2      8.267 CV     1
 ASSI {  270}
   (( segid W   and resid 549   and name HA ))
   (( segid W   and resid 549   and name HN ))
      2.900     2.000     2.000 peak   270 weight  0.10000E+01 volume  0.20212E-02 ppm1      3.480 ppm2      8.270 CV     1
 ASSI {  271}
   (( segid W   and resid 549   and name HB2 ))
   (( segid W   and resid 549   and name HN ))
      2.600     1.700     1.700 peak   271 weight  0.10000E+01 volume  0.40329E-02 ppm1      2.058 ppm2      8.267 CV     1
 ASSI {  273}
   (( segid W   and resid 548   and name HG12)) 
   (( segid W   and resid 549   and name HN ))
      4.700     4.700     1.300 peak   273 weight  0.10000E+01 volume  0.75303E-03 ppm1      1.103 ppm2      8.272 CV     1
 ASSI {  274}
   ( segid W   and resid 555   and name HG2%) 
   (( segid W   and resid 549   and name HN ))
      3.700     3.200     2.300 peak   274 weight  0.10000E+01 volume  0.13688E-02 ppm1      1.003 ppm2      8.263 CV     1
 ASSI {  275}
   (( segid W   and resid 549   and name HB1 ))
   (( segid W   and resid 549   and name HN ))
      2.600     1.600     1.600 peak   275 weight  0.10000E+01 volume  0.37369E-02 ppm1      0.591 ppm2      8.265 CV     1
 ASSI {  280}
   (( segid W   and resid 528   and name HN ))
   (( segid W   and resid 527   and name HN ))
      3.600     2.900     2.400 peak   280 weight  0.10000E+01 volume  0.87654E-03 ppm1      8.486 ppm2      8.229 CV     1
 ASSI {  282}
   (( segid W   and resid 527   and name HA ))
   (( segid W   and resid 527   and name HN ))
      3.000     2.100     2.100 peak   282 weight  0.10000E+01 volume  0.25303E-02 ppm1      4.285 ppm2      8.227 CV     1
 ASSI {  283}
   (( segid W   and resid 526   and name HA2 ))
   (( segid W   and resid 527   and name HN ))
      2.900     1.900     1.900 peak   283 weight  0.10000E+01 volume  0.34385E-02 ppm1      3.961 ppm2      8.225 CV     1
 OR {  283}
   (( segid W   and resid 526   and name HA1 ))
   (( segid W   and resid 527   and name HN ))
 ASSI {  284}
   (( segid W   and resid 527   and name HG1 ))
   (( segid W   and resid 527   and name HN ))
      3.400     2.700     2.600 peak   284 weight  0.10000E+01 volume  0.18676E-02 ppm1      2.208 ppm2      8.227 CV     1
 ASSI {  285}
   (( segid W   and resid 527   and name HB1 ))
   (( segid W   and resid 527   and name HN ))
      3.800     3.200     2.200 peak   285 weight  0.10000E+01 volume  0.14839E-02 ppm1      2.026 ppm2      8.225 CV     1
 ASSI {  286}
   (( segid W   and resid 527   and name HB2 ))
   (( segid W   and resid 527   and name HN ))
      2.800     1.900     1.900 peak   286 weight  0.10000E+01 volume  0.28910E-02 ppm1      1.864 ppm2      8.226 CV     1
 ASSI {  289}
   (( segid W   and resid 564   and name HA ))
   (( segid W   and resid 564   and name HN ))
      2.800     1.900     1.900 peak   289 weight  0.10000E+01 volume  0.25097E-02 ppm1      4.434 ppm2      8.160 CV     1
 ASSI {  291}
   (( segid W   and resid 563   and name HA2 ))
   (( segid W   and resid 564   and name HN ))
      3.100     2.300     2.300 peak   291 weight  0.10000E+01 volume  0.15202E-02 ppm1      3.647 ppm2      8.158 CV     1
 ASSI {  293}
   (( segid W   and resid 559   and name HB1 ))
   (( segid W   and resid 564   and name HN ))
      3.800     3.300     2.200 peak   293 weight  0.10000E+01 volume  0.55404E-03 ppm1      2.134 ppm2      8.155 CV     1
 ASSI {  294}
   (( segid W   and resid 564   and name HB2 ))
   (( segid W   and resid 564   and name HN ))
      2.500     1.500     1.500 peak   294 weight  0.10000E+01 volume  0.31818E-02 ppm1      1.676 ppm2      8.158 CV     1
 ASSI {  295}
   (( segid W   and resid 564   and name HG1 ))
   (( segid W   and resid 564   and name HN ))
      2.800     1.800     1.800 peak   295 weight  0.10000E+01 volume  0.30020E-02 ppm1      1.505 ppm2      8.158 CV     1
 ASSI {  296}
   ( segid W   and resid 558   and name HG2%) 
   (( segid W   and resid 564   and name HN ))
      3.300     2.500     2.500 peak   296 weight  0.10000E+01 volume  0.12017E-02 ppm1      0.565 ppm2      8.155 CV     1
 ASSI {  297}
   (( segid W   and resid 540   and name HN ))
   (( segid W   and resid 544   and name HN ))
      3.600     2.900     2.400 peak   297 weight  0.10000E+01 volume  0.74670E-03 ppm1      9.397 ppm2      8.100 CV     1
 ASSI {  299}
   (( segid W   and resid 543   and name HN ))
   (( segid W   and resid 544   and name HN ))
      2.400     1.400     1.400 peak   299 weight  0.10000E+01 volume  0.43113E-02 ppm1      8.719 ppm2      8.107 CV     1
 ASSI {  301}
   (( segid W   and resid 544   and name HD1 ))
   (( segid W   and resid 544   and name HN ))
      4.500     4.500     1.500 peak   301 weight  0.10000E+01 volume  0.72781E-03 ppm1      2.445 ppm2      8.109 CV     1
 ASSI {  302}
   (( segid W   and resid 544   and name HG2 ))
   (( segid W   and resid 544   and name HN ))
      2.400     1.300     1.300 peak   302 weight  0.10000E+01 volume  0.44683E-02 ppm1      1.504 ppm2      8.103 CV     1
 OR {  302}
   (( segid W   and resid 544   and name HB2 ))
   (( segid W   and resid 544   and name HN ))
 ASSI {  303}
   ( segid W   and resid 539   and name HG1%) 
   (( segid W   and resid 544   and name HN ))
      3.600     3.000     2.400 peak   303 weight  0.10000E+01 volume  0.11326E-02 ppm1      0.974 ppm2      8.107 CV     1
 ASSI {  304}
   (( segid W   and resid 557   and name HZ3 ))
   (( segid W   and resid 544   and name HN ))
      4.000     3.600     2.000 peak   304 weight  0.10000E+01 volume  0.60354E-03 ppm1      6.930 ppm2      8.109 CV     1
 ASSI {  308}
   (( segid W   and resid 543   and name HN ))
   (( segid W   and resid 542   and name HN ))
      2.600     1.600     1.600 peak   308 weight  0.10000E+01 volume  0.33449E-02 ppm1      8.718 ppm2      8.052 CV     1
 ASSI {  309}
   (( segid W   and resid 542   and name HB1 ))
   (( segid W   and resid 542   and name HN ))
      2.700     1.700     1.700 peak   309 weight  0.10000E+01 volume  0.24700E-02 ppm1      2.891 ppm2      8.052 CV     1
 ASSI {  310}
   (( segid W   and resid 540   and name HA ))
   (( segid W   and resid 542   and name HN ))
      4.500     4.500     1.500 peak   310 weight  0.10000E+01 volume  0.56143E-03 ppm1      4.730 ppm2      8.050 CV     1
 ASSI {  312}
   (( segid W   and resid 541   and name HA ))
   (( segid W   and resid 542   and name HN ))
      3.300     2.500     2.500 peak   312 weight  0.10000E+01 volume  0.12395E-02 ppm1      4.348 ppm2      8.048 CV     1
 ASSI {  314}
   (( segid W   and resid 542   and name HB2 ))
   (( segid W   and resid 542   and name HN ))
      2.900     2.000     2.000 peak   314 weight  0.10000E+01 volume  0.18888E-02 ppm1      3.220 ppm2      8.052 CV     1
 ASSI {  315}
   (( segid W   and resid 541   and name HB2 ))
   (( segid W   and resid 542   and name HN ))
      4.100     3.800     1.900 peak   315 weight  0.10000E+01 volume  0.10177E-02 ppm1      2.421 ppm2      8.056 CV     1
 ASSI {  316}
   (( segid W   and resid 541   and name HG1 ))
   (( segid W   and resid 542   and name HN ))
      3.300     2.600     2.600 peak   316 weight  0.10000E+01 volume  0.75321E-03 ppm1      2.075 ppm2      8.054 CV     1
 ASSI {  318}
   (( segid W   and resid 556   and name HN ))
   (( segid W   and resid 555   and name HN ))
      4.100     3.800     1.900 peak   318 weight  0.10000E+01 volume  0.71926E-03 ppm1      9.128 ppm2      8.014 CV     1
 ASSI {  319}
   (( segid W   and resid 555   and name HA ))
   (( segid W   and resid 555   and name HN ))
      2.700     1.800     1.800 peak   319 weight  0.10000E+01 volume  0.26092E-02 ppm1      5.522 ppm2      8.012 CV     1
 ASSI {  320}
   (( segid W   and resid 554   and name HA ))
   (( segid W   and resid 555   and name HN ))
      2.200     1.200     1.200 peak   320 weight  0.10000E+01 volume  0.11310E-01 ppm1      4.955 ppm2      8.018 CV     1
 ASSI {  322}
   (( segid W   and resid 554   and name HD1 ))
   (( segid W   and resid 555   and name HN ))
      5.000     5.000     1.000 peak   322 weight  0.10000E+01 volume  0.62638E-03 ppm1      3.141 ppm2      8.016 CV     1
 ASSI {  323}
   (( segid W   and resid 554   and name HB1 ))
   (( segid W   and resid 555   and name HN ))
      2.500     1.500     1.500 peak   323 weight  0.10000E+01 volume  0.32990E-02 ppm1      1.645 ppm2      8.018 CV     1
 ASSI {  324}
   (( segid W   and resid 554   and name HG1 ))
   (( segid W   and resid 555   and name HN ))
      3.800     3.200     2.200 peak   324 weight  0.10000E+01 volume  0.26789E-02 ppm1      1.387 ppm2      8.018 CV     1
 ASSI {  325}
   ( segid W   and resid 555   and name HG2%) 
   (( segid W   and resid 555   and name HN ))
      2.900     2.000     2.000 peak   325 weight  0.10000E+01 volume  0.27054E-02 ppm1      1.001 ppm2      8.018 CV     1
 ASSI {  326}
   (( segid W   and resid 544   and name HG1 ))
   (( segid W   and resid 544   and name HN ))
      3.900     3.400     2.100 peak   326 weight  0.10000E+01 volume  0.18406E-02 ppm1      1.600 ppm2      8.111 CV     1
 ASSI {  328}
   (( segid W   and resid 539   and name HN ))
   (( segid W   and resid 538   and name HN ))
      3.900     3.400     2.100 peak   328 weight  0.10000E+01 volume  0.12188E-02 ppm1      8.334 ppm2      8.062 CV     1
 ASSI {  330}
   (( segid W   and resid 537   and name HA ))
   (( segid W   and resid 538   and name HN ))
      2.100     1.100     1.100 peak   330 weight  0.10000E+01 volume  0.11675E-01 ppm1      5.108 ppm2      8.062 CV     1
 ASSI {  331}
   (( segid W   and resid 545   and name HA ))
   (( segid W   and resid 538   and name HN ))
      4.100     3.900     1.900 peak   331 weight  0.10000E+01 volume  0.72060E-03 ppm1      4.722 ppm2      8.067 CV     1
 ASSI {  333}
   (( segid W   and resid 537   and name HG2 ))
   (( segid W   and resid 538   and name HN ))
      4.700     4.700     1.300 peak   333 weight  0.10000E+01 volume  0.10994E-02 ppm1      2.272 ppm2      8.062 CV     1
 ASSI {  335}
   (( segid W   and resid 537   and name HB1 ))
   (( segid W   and resid 538   and name HN ))
      3.000     2.100     2.100 peak   335 weight  0.10000E+01 volume  0.22390E-02 ppm1      1.895 ppm2      8.062 CV     1
 ASSI {  337}
   (( segid W   and resid 538   and name HB2 ))
   (( segid W   and resid 538   and name HN ))
      3.000     2.200     2.200 peak   337 weight  0.10000E+01 volume  0.18154E-02 ppm1      1.333 ppm2      8.064 CV     1
 ASSI {  338}
   (( segid W   and resid 538   and name HB1 ))
   (( segid W   and resid 538   and name HN ))
      2.800     1.900     1.900 peak   338 weight  0.10000E+01 volume  0.25837E-02 ppm1      1.106 ppm2      8.064 CV     1
 ASSI {  340}
   (( segid W   and resid 564   and name HN ))
   (( segid W   and resid 559   and name HN ))
      3.600     2.900     2.400 peak   340 weight  0.10000E+01 volume  0.52017E-03 ppm1      8.162 ppm2      7.923 CV     1
 ASSI {  344}
   (( segid W   and resid 565   and name HA ))
   (( segid W   and resid 559   and name HN ))
      3.600     3.000     2.400 peak   344 weight  0.10000E+01 volume  0.22460E-02 ppm1      4.593 ppm2      7.927 CV     1
 ASSI {  345}
   (( segid W   and resid 558   and name HA ))
   (( segid W   and resid 559   and name HN ))
      2.000     1.000     1.000 peak   345 weight  0.10000E+01 volume  0.11348E-01 ppm1      3.785 ppm2      7.927 CV     1
 ASSI {  347}
   (( segid W   and resid 559   and name HA ))
   (( segid W   and resid 559   and name HN ))
      2.700     1.700     1.700 peak   347 weight  0.10000E+01 volume  0.23029E-02 ppm1      2.333 ppm2      7.925 CV     1
 ASSI {  348}
   (( segid W   and resid 559   and name HB1 ))
   (( segid W   and resid 559   and name HN ))
      2.500     1.500     1.500 peak   348 weight  0.10000E+01 volume  0.54865E-02 ppm1      2.132 ppm2      7.929 CV     1
 ASSI {  349}
   (( segid W   and resid 558   and name HB ))
   (( segid W   and resid 559   and name HN ))
      4.300     4.100     1.700 peak   349 weight  0.10000E+01 volume  0.68381E-03 ppm1      1.931 ppm2      7.930 CV     1
 ASSI {  351}
   (( segid W   and resid 558   and name HG11)) 
   (( segid W   and resid 559   and name HN ))
      4.900     4.900     1.100 peak   351 weight  0.10000E+01 volume  0.69212E-03 ppm1      1.244 ppm2      7.923 CV     1
 ASSI {  352}
   ( segid W   and resid 558   and name HG2%) 
   (( segid W   and resid 559   and name HN ))
      2.500     1.500     1.500 peak   352 weight  0.10000E+01 volume  0.43791E-02 ppm1      0.563 ppm2      7.927 CV     1
 ASSI {  353}
   (( segid W   and resid 536   and name HN ))
   (( segid W   and resid 535   and name HN ))
      4.200     3.900     1.800 peak   353 weight  0.10000E+01 volume  0.86945E-03 ppm1      9.631 ppm2      7.931 CV     1
 ASSI {  354}
   (( segid W   and resid 534   and name HN ))
   (( segid W   and resid 535   and name HN ))
      2.700     1.700     1.700 peak   354 weight  0.10000E+01 volume  0.39753E-02 ppm1      8.908 ppm2      7.936 CV     1
 ASSI {  356}
   (( segid W   and resid 535   and name HD1 ))
   (( segid W   and resid 535   and name HN ))
      3.200     2.300     2.300 peak   356 weight  0.10000E+01 volume  0.22541E-02 ppm1      7.298 ppm2      7.933 CV     1
 ASSI {  357}
   (( segid W   and resid 550   and name HD2 ))
   (( segid W   and resid 535   and name HN ))
      4.100     3.700     1.900 peak   357 weight  0.10000E+01 volume  0.56058E-03 ppm1      6.787 ppm2      7.929 CV     1
 ASSI {  358}
   (( segid W   and resid 535   and name HA ))
   (( segid W   and resid 535   and name HN ))
      2.800     1.900     1.900 peak   358 weight  0.10000E+01 volume  0.27646E-02 ppm1      6.251 ppm2      7.933 CV     1
 ASSI {  359}
   (( segid W   and resid 533   and name HA ))
   (( segid W   and resid 535   and name HN ))
      3.500     2.700     2.500 peak   359 weight  0.10000E+01 volume  0.20238E-02 ppm1      4.460 ppm2      7.933 CV     1
 ASSI {  360}
   (( segid W   and resid 534   and name HA ))
   (( segid W   and resid 535   and name HN ))
      2.700     1.800     1.800 peak   360 weight  0.10000E+01 volume  0.29517E-02 ppm1      4.024 ppm2      7.931 CV     1
 ASSI {  361}
   (( segid W   and resid 535   and name HB2 ))
   (( segid W   and resid 535   and name HN ))
      3.200     2.300     2.300 peak   361 weight  0.10000E+01 volume  0.48677E-02 ppm1      3.309 ppm2      7.931 CV     1
 ASSI {  363}
   (( segid W   and resid 531   and name HB1 ))
   (( segid W   and resid 535   and name HN ))
      3.800     3.200     2.200 peak   363 weight  0.10000E+01 volume  0.70932E-03 ppm1      1.758 ppm2      7.936 CV     1
 ASSI {  368}
   (( segid P   and resid 235   and name HA ))
   (( segid W   and resid 538   and name HE21)) 
      3.300     2.500     2.500 peak   368 weight  0.10000E+01 volume  0.13595E-02 ppm1      4.180 ppm2      7.540 CV     1
 ASSI {  369}
   (( segid W   and resid 538   and name HG2 ))
   (( segid W   and resid 538   and name HE21)) 
      2.700     1.700     1.700 peak   369 weight  0.10000E+01 volume  0.31766E-02 ppm1      2.096 ppm2      7.540 CV     1
 OR {  369}
   (( segid W   and resid 538   and name HG1 ))
   (( segid W   and resid 538   and name HE21)) 
 ASSI {  371}
   (( segid W   and resid 538   and name HB1 ))
   (( segid W   and resid 538   and name HE21)) 
      3.500     2.800     2.500 peak   371 weight  0.10000E+01 volume  0.16488E-02 ppm1      1.111 ppm2      7.538 CV     1
 ASSI {  372}
   ( segid W   and resid 548   and name HD1%) 
   (( segid W   and resid 538   and name HE21)) 
      3.600     2.900     2.400 peak   372 weight  0.10000E+01 volume  0.12638E-02 ppm1      0.360 ppm2      7.542 CV     1
 ASSI {  374}
   (( segid W   and resid 552   and name HN ))
   (( segid W   and resid 554   and name HN ))
      3.900     3.500     2.100 peak   374 weight  0.10000E+01 volume  0.11784E-02 ppm1      7.002 ppm2      7.428 CV     1
 ASSI {  375}
   ( segid P   and resid 232   and name HD% )
   (( segid W   and resid 554   and name HN ))
      3.400     2.700     2.600 peak   375 weight  0.10000E+01 volume  0.91269E-03 ppm1      6.671 ppm2      7.426 CV     1
 ASSI {  376}
   ( segid P   and resid 232   and name HE% )
   (( segid W   and resid 554   and name HN ))
      4.600     4.600     1.400 peak   376 weight  0.10000E+01 volume  0.50433E-03 ppm1      6.409 ppm2      7.426 CV     1
 ASSI {  377}
   (( segid W   and resid 554   and name HA ))
   (( segid W   and resid 554   and name HN ))
      2.700     1.800     1.800 peak   377 weight  0.10000E+01 volume  0.27379E-02 ppm1      4.957 ppm2      7.426 CV     1
 ASSI {  381}
   (( segid W   and resid 553   and name HA ))
   (( segid W   and resid 554   and name HN ))
      2.400     1.400     1.400 peak   381 weight  0.10000E+01 volume  0.49369E-02 ppm1      2.307 ppm2      7.426 CV     1
 ASSI {  382}
   (( segid W   and resid 549   and name HB2 ))
   (( segid W   and resid 554   and name HN ))
      2.600     1.600     1.600 peak   382 weight  0.10000E+01 volume  0.25132E-02 ppm1      2.059 ppm2      7.423 CV     1
 ASSI {  384}
   (( segid W   and resid 554   and name HG1 ))
   (( segid W   and resid 554   and name HN ))
      3.000     2.100     2.100 peak   384 weight  0.10000E+01 volume  0.30751E-02 ppm1      1.389 ppm2      7.423 CV     1
 ASSI {  386}
   (( segid W   and resid 553   and name HB2 ))
   (( segid W   and resid 554   and name HN ))
      4.000     3.600     2.000 peak   386 weight  0.10000E+01 volume  0.81580E-03 ppm1      0.811 ppm2      7.426 CV     1
 ASSI {  388}
   ( segid W   and resid 548   and name HG2%) 
   (( segid W   and resid 554   and name HN ))
      4.000     3.600     2.000 peak   388 weight  0.10000E+01 volume  0.69689E-03 ppm1      0.164 ppm2      7.430 CV     1
 ASSI {  389}
   (( segid W   and resid 562   and name HD21)) 
   (( segid W   and resid 562   and name HD22)) 
      1.600     0.700     0.700 peak   389 weight  0.10000E+01 volume  0.22994E-01 ppm1      6.749 ppm2      7.413 CV     1
 ASSI {  390}
   (( segid W   and resid 562   and name HA ))
   (( segid W   and resid 562   and name HD22)) 
      4.600     4.600     1.400 peak   390 weight  0.10000E+01 volume  0.61813E-03 ppm1      4.613 ppm2      7.417 CV     1
 ASSI {  392}
   (( segid W   and resid 562   and name HB1 ))
   (( segid W   and resid 562   and name HD22)) 
      3.400     2.600     2.600 peak   392 weight  0.10000E+01 volume  0.26791E-02 ppm1      2.800 ppm2      7.423 CV     1
 ASSI {  393}
   (( segid W   and resid 562   and name HB2 ))
   (( segid W   and resid 562   and name HD22)) 
      2.500     1.500     1.500 peak   393 weight  0.10000E+01 volume  0.29361E-02 ppm1      2.671 ppm2      7.426 CV     1
 ASSI {  397}
   (( segid W   and resid 538   and name HE21)) 
   (( segid W   and resid 538   and name HE22)) 
      1.700     0.700     0.700 peak   397 weight  0.10000E+01 volume  0.23503E-01 ppm1      7.539 ppm2      7.292 CV     1
 ASSI {  398}
   (( segid P   and resid 235   and name HA ))
   (( segid W   and resid 538   and name HE22)) 
      3.400     2.700     2.600 peak   398 weight  0.10000E+01 volume  0.20389E-02 ppm1      4.179 ppm2      7.297 CV     1
 ASSI {  399}
   (( segid W   and resid 538   and name HG2 ))
   (( segid W   and resid 538   and name HE22)) 
      4.100     3.800     1.900 peak   399 weight  0.10000E+01 volume  0.12890E-02 ppm1      2.097 ppm2      7.295 CV     1
 OR {  399}
   (( segid W   and resid 538   and name HG1 ))
   (( segid W   and resid 538   and name HE22)) 
 ASSI {  401}
   (( segid W   and resid 538   and name HB1 ))
   (( segid W   and resid 538   and name HE22)) 
      4.500     4.400     1.500 peak   401 weight  0.10000E+01 volume  0.65248E-03 ppm1      1.107 ppm2      7.297 CV     1
 ASSI {  402}
   ( segid W   and resid 548   and name HD1%) 
   (( segid W   and resid 538   and name HE22)) 
      4.000     3.700     2.000 peak   402 weight  0.10000E+01 volume  0.98075E-03 ppm1      0.360 ppm2      7.299 CV     1
 ASSI {  407}
   (( segid W   and resid 563   and name HA2 ))
   (( segid W   and resid 562   and name HN ))
      4.500     4.500     1.500 peak   407 weight  0.10000E+01 volume  0.63342E-03 ppm1      3.650 ppm2      7.157 CV     1
 ASSI {  409}
   (( segid W   and resid 562   and name HB2 ))
   (( segid W   and resid 562   and name HN ))
      3.300     2.400     2.400 peak   409 weight  0.10000E+01 volume  0.13928E-02 ppm1      2.674 ppm2      7.161 CV     1
 ASSI {  410}
   (( segid W   and resid 561   and name HG1 ))
   (( segid W   and resid 562   and name HN ))
      3.100     2.300     2.300 peak   410 weight  0.10000E+01 volume  0.11796E-02 ppm1      1.747 ppm2      7.161 CV     1
 OR {  410}
   (( segid W   and resid 561   and name HB1 ))
   (( segid W   and resid 562   and name HN ))
 ASSI {  411}
   (( segid W   and resid 561   and name HB2 ))
   (( segid W   and resid 562   and name HN ))
      3.300     2.500     2.500 peak   411 weight  0.10000E+01 volume  0.99738E-03 ppm1      1.559 ppm2      7.159 CV     1
 ASSI {  414}
   (( segid W   and resid 553   and name HN ))
   (( segid W   and resid 552   and name HN ))
      2.100     1.100     1.100 peak   414 weight  0.10000E+01 volume  0.76326E-02 ppm1      7.369 ppm2      6.990 CV     1
 ASSI {  416}
   (( segid W   and resid 552   and name HB1 ))
   (( segid W   and resid 552   and name HN ))
      3.200     2.400     2.400 peak   416 weight  0.10000E+01 volume  0.27606E-02 ppm1      3.652 ppm2      6.986 CV     1
 ASSI {  417}
   (( segid W   and resid 552   and name HB2 ))
   (( segid W   and resid 552   and name HN ))
      2.500     1.500     1.500 peak   417 weight  0.10000E+01 volume  0.31020E-02 ppm1      3.424 ppm2      6.988 CV     1
 ASSI {  419}
   (( segid W   and resid 553   and name HA ))
   (( segid W   and resid 552   and name HN ))
      4.500     4.500     1.500 peak   419 weight  0.10000E+01 volume  0.13433E-02 ppm1      2.312 ppm2      6.988 CV     1
 ASSI {  424}
   (( segid W   and resid 562   and name HB2 ))
   (( segid W   and resid 562   and name HD21)) 
      3.900     3.500     2.100 peak   424 weight  0.10000E+01 volume  0.17676E-02 ppm1      2.669 ppm2      6.743 CV     1
 ASSI {  425}
   (( segid W   and resid 564   and name HB2 ))
   (( segid W   and resid 562   and name HD21)) 
      4.400     4.300     1.600 peak   425 weight  0.10000E+01 volume  0.63911E-03 ppm1      1.689 ppm2      6.751 CV     1
 ASSI {  426}
   (( segid W   and resid 527   and name HB1 ))
   (( segid W   and resid 528   and name HN ))
      3.700     3.200     2.300 peak   426 weight  0.10000E+01 volume  0.95878E-03 ppm1      2.054 ppm2      8.483 CV     1
 ASSI {  428}
   (( segid W   and resid 552   and name HB1 ))
   (( segid W   and resid 553   and name HN ))
      3.800     3.200     2.200 peak   428 weight  0.10000E+01 volume  0.89212E-03 ppm1      3.653 ppm2      7.364 CV     1
 ASSI {  429}
   (( segid W   and resid 552   and name HB2 ))
   (( segid W   and resid 553   and name HN ))
      4.100     3.700     1.900 peak   429 weight  0.10000E+01 volume  0.99226E-03 ppm1      3.429 ppm2      7.360 CV     1
 ASSI {  431}
   (( segid W   and resid 553   and name HA ))
   (( segid W   and resid 553   and name HN ))
      2.200     1.100     1.100 peak   431 weight  0.10000E+01 volume  0.71909E-02 ppm1      2.307 ppm2      7.364 CV     1
 ASSI {  432}
   (( segid W   and resid 553   and name HB1 ))
   (( segid W   and resid 553   and name HN ))
      3.800     3.300     2.200 peak   432 weight  0.10000E+01 volume  0.16236E-02 ppm1      1.635 ppm2      7.364 CV     1
 ASSI {  433}
   ( segid W   and resid 551   and name HB% )
   (( segid W   and resid 553   and name HN ))
      4.100     3.700     1.900 peak   433 weight  0.10000E+01 volume  0.15118E-02 ppm1      1.395 ppm2      7.358 CV     1
 ASSI {  434}
   (( segid W   and resid 553   and name HG2 ))
   (( segid W   and resid 553   and name HN ))
      3.500     2.800     2.500 peak   434 weight  0.10000E+01 volume  0.21047E-02 ppm1      0.990 ppm2      7.364 CV     1
 ASSI {  435}
   (( segid W   and resid 553   and name HB2 ))
   (( segid W   and resid 553   and name HN ))
      3.700     3.100     2.300 peak   435 weight  0.10000E+01 volume  0.10504E-02 ppm1      0.803 ppm2      7.352 CV     1
 ASSI {  436}
   (( segid W   and resid 553   and name HG1 ))
   (( segid W   and resid 553   and name HN ))
      2.800     1.900     1.900 peak   436 weight  0.10000E+01 volume  0.18534E-02 ppm1      0.728 ppm2      7.364 CV     1
 ASSI {  438}
   (( segid W   and resid 550   and name HD2 ))
   (( segid W   and resid 551   and name HN ))
      4.600     4.600     1.400 peak   438 weight  0.10000E+01 volume  0.59017E-03 ppm1      6.777 ppm2      8.326 CV     1
 ASSI {  442}
   (( segid W   and resid 543   and name HA2 ))
   (( segid W   and resid 540   and name HN ))
      4.500     4.500     1.500 peak   442 weight  0.10000E+01 volume  0.28465E-03 ppm1      3.562 ppm2      9.388 CV     1
 ASSI {  443}
   (( segid W   and resid 546   and name HB1 ))
   (( segid W   and resid 540   and name HN ))
      6.000     6.000     0.000 peak   443 weight  0.10000E+01 volume  0.21627E-03 ppm1      2.575 ppm2      9.396 CV     1
 ASSI {  447}
   (( segid W   and resid 560   and name HG1 ))
   (( segid W   and resid 535   and name HE1 ))
      4.700     4.700     1.300 peak   447 weight  0.10000E+01 volume  0.41432E-03 ppm1      0.212 ppm2     10.111 CV     1
 ASSI {  452}
   (( segid W   and resid 533   and name HD1 ))
   (( segid W   and resid 535   and name HE1 ))
      4.900     4.900     1.100 peak   452 weight  0.10000E+01 volume  0.28399E-03 ppm1      3.626 ppm2     10.109 CV     1
 ASSI {  455}
   (( segid W   and resid 535   and name HA ))
   (( segid W   and resid 535   and name HE1 ))
      4.800     4.800     1.200 peak   455 weight  0.10000E+01 volume  0.26777E-03 ppm1      6.265 ppm2     10.117 CV     1
 ASSI {  456}
   (( segid W   and resid 535   and name HN ))
   (( segid W   and resid 535   and name HE1 ))
      4.900     4.900     1.100 peak   456 weight  0.10000E+01 volume  0.41441E-03 ppm1      7.943 ppm2     10.115 CV     1
 ASSI {  457}
   (( segid W   and resid 542   and name HD21)) 
   (( segid W   and resid 557   and name HE1 ))
      4.600     4.600     1.400 peak   457 weight  0.10000E+01 volume  0.28475E-03 ppm1      7.565 ppm2     10.185 CV     1
 ASSI {  458}
   (( segid W   and resid 556   and name HA ))
   (( segid W   and resid 557   and name HE1 ))
      5.500     5.500     0.500 peak   458 weight  0.10000E+01 volume  0.22148E-03 ppm1      4.655 ppm2     10.176 CV     1
 ASSI {  460}
   (( segid P   and resid 227   and name HA ))
   (( segid W   and resid 557   and name HE1 ))
      4.500     4.500     1.500 peak   460 weight  0.10000E+01 volume  0.28389E-03 ppm1      3.650 ppm2     10.187 CV     1
 ASSI {  463}
   ( segid P   and resid 229   and name HD1%) 
   (( segid W   and resid 557   and name HE1 ))
      4.500     4.500     1.500 peak   463 weight  0.10000E+01 volume  0.42352E-03 ppm1      0.259 ppm2     10.185 CV     1
 ASSI {  465}
   (( segid W   and resid 557   and name HE3 ))
   (( segid W   and resid 546   and name HN ))
      5.000     5.000     1.000 peak   465 weight  0.10000E+01 volume  0.20801E-03 ppm1      8.232 ppm2      9.360 CV     1
 ASSI {  466}
   (( segid W   and resid 539   and name HN ))
   (( segid W   and resid 546   and name HN ))
      4.600     4.600     1.400 peak   466 weight  0.10000E+01 volume  0.36689E-03 ppm1      8.337 ppm2      9.352 CV     1
 ASSI {  467}
   (( segid W   and resid 557   and name HZ3 ))
   (( segid W   and resid 546   and name HN ))
      4.300     4.100     1.700 peak   467 weight  0.10000E+01 volume  0.32705E-03 ppm1      6.881 ppm2      9.352 CV     1
 ASSI {  471}
   (( segid W   and resid 557   and name HA ))
   (( segid W   and resid 546   and name HN ))
      5.500     5.500     0.500 peak   471 weight  0.10000E+01 volume  0.24653E-03 ppm1      5.462 ppm2      9.350 CV     1
 ASSI {  475}
   (( segid W   and resid 538   and name HB2 ))
   (( segid W   and resid 546   and name HN ))
      4.100     3.700     1.900 peak   475 weight  0.10000E+01 volume  0.33559E-03 ppm1      1.304 ppm2      9.354 CV     1
 ASSI {  478}
   (( segid W   and resid 538   and name HN ))
   (( segid W   and resid 548   and name HN ))
      4.800     4.800     1.200 peak   478 weight  0.10000E+01 volume  0.41157E-03 ppm1      8.060 ppm2      9.187 CV     1
 ASSI {  479}
   (( segid W   and resid 549   and name HN ))
   (( segid W   and resid 548   and name HN ))
      4.500     4.400     1.500 peak   479 weight  0.10000E+01 volume  0.49020E-03 ppm1      8.270 ppm2      9.181 CV     1
 ASSI {  481}
   (( segid W   and resid 555   and name HA ))
   (( segid W   and resid 548   and name HN ))
      4.800     4.800     1.200 peak   481 weight  0.10000E+01 volume  0.30666E-03 ppm1      5.502 ppm2      9.193 CV     1
 ASSI {  482}
   (( segid W   and resid 536   and name HA ))
   (( segid W   and resid 548   and name HN ))
      4.800     4.800     1.200 peak   482 weight  0.10000E+01 volume  0.23666E-03 ppm1      4.927 ppm2      9.181 CV     1
 ASSI {  483}
   (( segid W   and resid 536   and name HB2 ))
   (( segid W   and resid 548   and name HN ))
      4.600     4.600     1.400 peak   483 weight  0.10000E+01 volume  0.34365E-03 ppm1      4.032 ppm2      9.177 CV     1
 ASSI {  486}
   (( segid W   and resid 537   and name HG2 ))
   (( segid W   and resid 548   and name HN ))
      5.300     5.300     0.700 peak   486 weight  0.10000E+01 volume  0.24690E-03 ppm1      2.265 ppm2      9.189 CV     1
 ASSI {  489}
   ( segid W   and resid 531   and name HD2%) 
   (( segid W   and resid 548   and name HN ))
      4.800     4.800     1.200 peak   489 weight  0.10000E+01 volume  0.28835E-03 ppm1      0.852 ppm2      9.181 CV     1
 ASSI {  492}
   (( segid W   and resid 557   and name HE3 ))
   (( segid W   and resid 547   and name HN ))
      5.100     5.100     0.900 peak   492 weight  0.10000E+01 volume  0.42902E-03 ppm1      8.246 ppm2      9.111 CV     1
 ASSI {  493}
   (( segid W   and resid 535   and name HE3 ))
   (( segid W   and resid 547   and name HN ))
      6.000     6.000     0.000 peak   493 weight  0.10000E+01 volume  0.28380E-03 ppm1      7.545 ppm2      9.117 CV     1
 ASSI {  497}
   (( segid W   and resid 556   and name HB ))
   (( segid W   and resid 547   and name HN ))
      5.500     5.500     0.500 peak   497 weight  0.10000E+01 volume  0.22082E-03 ppm1      4.424 ppm2      9.117 CV     1
 ASSI {  498}
   (( segid W   and resid 555   and name HB ))
   (( segid W   and resid 547   and name HN ))
      4.400     4.400     1.600 peak   498 weight  0.10000E+01 volume  0.45833E-03 ppm1      4.195 ppm2      9.117 CV     1
 ASSI {  502}
   ( segid W   and resid 555   and name HG2%) 
   (( segid W   and resid 547   and name HN ))
      5.200     5.200     0.800 peak   502 weight  0.10000E+01 volume  0.35778E-03 ppm1      1.043 ppm2      9.117 CV     1
 ASSI {  507}
   (( segid W   and resid 549   and name HN ))
   (( segid W   and resid 536   and name HN ))
      4.700     4.700     1.300 peak   507 weight  0.10000E+01 volume  0.27972E-03 ppm1      8.287 ppm2      9.631 CV     1
 ASSI {  508}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 536   and name HN ))
      4.000     3.500     2.000 peak   508 weight  0.10000E+01 volume  0.44629E-03 ppm1      7.089 ppm2      9.623 CV     1
 ASSI {  509}
   (( segid W   and resid 548   and name HA ))
   (( segid W   and resid 536   and name HN ))
      4.300     4.100     1.700 peak   509 weight  0.10000E+01 volume  0.47199E-03 ppm1      4.219 ppm2      9.629 CV     1
 ASSI {  510}
   (( segid W   and resid 537   and name HG2 ))
   (( segid W   and resid 536   and name HN ))
      5.000     5.000     1.000 peak   510 weight  0.10000E+01 volume  0.19653E-03 ppm1      2.282 ppm2      9.637 CV     1
 ASSI {  512}
   (( segid W   and resid 531   and name HB1 ))
   (( segid W   and resid 536   and name HN ))
      4.200     3.900     1.800 peak   512 weight  0.10000E+01 volume  0.31311E-03 ppm1      1.773 ppm2      9.620 CV     1
 OR {  512}
   (( segid W   and resid 531   and name HG ))
   (( segid W   and resid 536   and name HN ))
 ASSI {  515}
   (( segid W   and resid 557   and name HN ))
   (( segid W   and resid 556   and name HN ))
      4.300     4.100     1.700 peak   515 weight  0.10000E+01 volume  0.51790E-03 ppm1      8.845 ppm2      9.128 CV     1
 ASSI {  516}
   (( segid W   and resid 535   and name HE3 ))
   (( segid W   and resid 556   and name HN ))
      5.400     5.400     0.600 peak   516 weight  0.10000E+01 volume  0.23362E-03 ppm1      7.535 ppm2      9.128 CV     1
 ASSI {  517}
   (( segid W   and resid 535   and name HZ3 ))
   (( segid W   and resid 556   and name HN ))
      4.200     4.000     1.800 peak   517 weight  0.10000E+01 volume  0.46810E-03 ppm1      6.826 ppm2      9.128 CV     1
 ASSI {  518}
   (( segid W   and resid 549   and name HB2 ))
   (( segid W   and resid 556   and name HN ))
      5.500     5.500     0.500 peak   518 weight  0.10000E+01 volume  0.21712E-03 ppm1      2.026 ppm2      9.121 CV     1
 ASSI {  520}
   (( segid P   and resid 229   and name HB2 ))
   (( segid W   and resid 556   and name HN ))
      6.000     6.000     0.000 peak   520 weight  0.10000E+01 volume  0.23856E-03 ppm1      0.747 ppm2      9.122 CV     1
 ASSI {  525}
   (( segid W   and resid 541   and name HD2 ))
   (( segid W   and resid 543   and name HN ))
      4.900     4.900     1.100 peak   525 weight  0.10000E+01 volume  0.41925E-03 ppm1      3.886 ppm2      8.713 CV     1
 ASSI {  526}
   (( segid W   and resid 542   and name HB2 ))
   (( segid W   and resid 543   and name HN ))
      3.600     3.000     2.400 peak   526 weight  0.10000E+01 volume  0.42816E-03 ppm1      3.216 ppm2      8.709 CV     1
 ASSI {  528}
   (( segid W   and resid 544   and name HG2 ))
   (( segid W   and resid 543   and name HN ))
      5.100     5.100     0.900 peak   528 weight  0.10000E+01 volume  0.44040E-03 ppm1      1.499 ppm2      8.711 CV     1
 OR {  528}
   (( segid W   and resid 544   and name HB2 ))
   (( segid W   and resid 543   and name HN ))
 ASSI {  529}
   (( segid W   and resid 562   and name HB2 ))
   (( segid W   and resid 563   and name HN ))
      3.600     3.000     2.400 peak   529 weight  0.10000E+01 volume  0.39468E-03 ppm1      2.674 ppm2      8.525 CV     1
 ASSI {  532}
   (( segid W   and resid 562   and name HB1 ))
   (( segid W   and resid 563   and name HN ))
      4.800     4.800     1.200 peak   532 weight  0.10000E+01 volume  0.44116E-03 ppm1      2.824 ppm2      8.523 CV     1
 ASSI {  535}
   (( segid W   and resid 556   and name HA ))
   (( segid W   and resid 555   and name HN ))
      4.100     3.800     1.900 peak   535 weight  0.10000E+01 volume  0.47730E-03 ppm1      4.717 ppm2      8.018 CV     1
 ASSI {  537}
   (( segid P   and resid 232   and name HB2 ))
   (( segid W   and resid 555   and name HN ))
      4.700     4.700     1.300 peak   537 weight  0.10000E+01 volume  0.35902E-03 ppm1      2.551 ppm2      8.018 CV     1
 ASSI {  538}
   (( segid W   and resid 549   and name HB2 ))
   (( segid W   and resid 555   and name HN ))
      5.000     5.000     1.000 peak   538 weight  0.10000E+01 volume  0.28000E-03 ppm1      2.072 ppm2      8.014 CV     1
 ASSI {  544}
   ( segid W   and resid 547   and name HE% )
   (( segid W   and resid 561   and name HE ))
      4.400     4.300     1.600 peak   544 weight  0.10000E+01 volume  0.44695E-03 ppm1      7.283 ppm2      8.847 CV     1
 ASSI {  545}
   (( segid W   and resid 561   and name HH21)) 
   (( segid W   and resid 561   and name HE ))
      2.900     2.000     2.000 peak   545 weight  0.10000E+01 volume  0.12522E-02 ppm1      7.055 ppm2      8.847 CV     1
 ASSI {  549}
   (( segid W   and resid 561   and name HA ))
   (( segid W   and resid 561   and name HE ))
      5.000     5.000     1.000 peak   549 weight  0.10000E+01 volume  0.55556E-03 ppm1      3.851 ppm2      8.838 CV     1
 ASSI {  550}
   (( segid W   and resid 561   and name HD2 ))
   (( segid W   and resid 561   and name HE ))
      3.000     2.000     2.000 peak   550 weight  0.10000E+01 volume  0.16983E-02 ppm1      2.843 ppm2      8.842 CV     1
 OR {  550}
   (( segid W   and resid 561   and name HD1 ))
   (( segid W   and resid 561   and name HE ))
 ASSI {  551}
   (( segid W   and resid 561   and name HB2 ))
   (( segid W   and resid 561   and name HE ))
      3.100     2.200     2.200 peak   551 weight  0.10000E+01 volume  0.17441E-02 ppm1      1.560 ppm2      8.845 CV     1
 ASSI {  552}
   (( segid W   and resid 561   and name HG1 ))
   (( segid W   and resid 561   and name HE ))
      2.800     1.900     1.900 peak   552 weight  0.10000E+01 volume  0.25463E-02 ppm1      1.747 ppm2      8.845 CV     1
 OR {  552}
   (( segid W   and resid 561   and name HB1 ))
   (( segid W   and resid 561   and name HE ))
 ASSI {  553}
   (( segid W   and resid 561   and name HG2 ))
   (( segid W   and resid 561   and name HE ))
      3.100     2.200     2.200 peak   553 weight  0.10000E+01 volume  0.12031E-02 ppm1      1.149 ppm2      8.845 CV     1
 ASSI {  556}
   (( segid W   and resid 542   and name HD21)) 
   (( segid W   and resid 542   and name HN ))
      5.100     5.100     0.900 peak   556 weight  0.10000E+01 volume  0.47389E-03 ppm1      7.562 ppm2      8.052 CV     1
 ASSI {  558}
   (( segid W   and resid 542   and name HD22)) 
   (( segid W   and resid 542   and name HN ))
      5.800     5.800     0.200 peak   558 weight  0.10000E+01 volume  0.45814E-03 ppm1      5.553 ppm2      8.050 CV     1
 ASSI {  559}
   (( segid W   and resid 540   and name HN ))
   (( segid W   and resid 542   and name HN ))
      5.200     5.200     0.800 peak   559 weight  0.10000E+01 volume  0.24093E-03 ppm1      9.388 ppm2      8.058 CV     1
 ASSI {  560}
   (( segid W   and resid 543   and name HA2 ))
   (( segid W   and resid 542   and name HN ))
      4.900     4.900     1.100 peak   560 weight  0.10000E+01 volume  0.46393E-03 ppm1      3.538 ppm2      8.050 CV     1
 ASSI {  564}
   (( segid W   and resid 533   and name HD1 ))
   (( segid W   and resid 534   and name HN ))
      4.800     4.800     1.200 peak   564 weight  0.10000E+01 volume  0.37941E-03 ppm1      3.610 ppm2      8.895 CV     1
 ASSI {  567}
   (( segid W   and resid 525   and name HA ))
   (( segid W   and resid 525   and name HN ))
      4.200     4.000     1.800 peak   567 weight  0.10000E+01 volume  0.35020E-03 ppm1      4.425 ppm2      8.363 CV     1
 ASSI {  569}
   (( segid W   and resid 551   and name HN ))
   (( segid W   and resid 535   and name HN ))
      5.000     5.000     1.000 peak   569 weight  0.10000E+01 volume  0.44979E-03 ppm1      8.327 ppm2      7.929 CV     1
 ASSI {  571}
   (( segid W   and resid 536   and name HA ))
   (( segid W   and resid 535   and name HN ))
      4.400     4.200     1.600 peak   571 weight  0.10000E+01 volume  0.32459E-03 ppm1      4.980 ppm2      7.938 CV     1
 ASSI {  572}
   (( segid W   and resid 532   and name HD2 ))
   (( segid W   and resid 535   and name HN ))
      4.500     4.500     1.500 peak   572 weight  0.10000E+01 volume  0.42864E-03 ppm1      2.875 ppm2      7.936 CV     1
 ASSI {  573}
   ( segid W   and resid 548   and name HG2%) 
   (( segid W   and resid 535   and name HN ))
      4.500     4.500     1.500 peak   573 weight  0.10000E+01 volume  0.25108E-03 ppm1      0.178 ppm2      7.930 CV     1
 ASSI {  578}
   (( segid W   and resid 559   and name HB1 ))
   (( segid W   and resid 561   and name HN ))
      3.900     3.400     2.100 peak   578 weight  0.10000E+01 volume  0.39563E-03 ppm1      2.119 ppm2      8.479 CV     1
 ASSI {  581}
   (( segid W   and resid 531   and name HA ))
   (( segid W   and resid 561   and name HN ))
      4.800     4.800     1.200 peak   581 weight  0.10000E+01 volume  0.40654E-03 ppm1      4.129 ppm2      8.475 CV     1
 ASSI {  582}
   (( segid W   and resid 562   and name HD22)) 
   (( segid W   and resid 561   and name HN ))
      4.900     4.900     1.100 peak   582 weight  0.10000E+01 volume  0.32724E-03 ppm1      7.460 ppm2      8.472 CV     1
 ASSI {  583}
   (( segid W   and resid 557   and name HD1 ))
   (( segid W   and resid 558   and name HN ))
      5.100     5.100     0.900 peak   583 weight  0.10000E+01 volume  0.36480E-03 ppm1      7.249 ppm2      8.675 CV     1
 ASSI {  586}
   (( segid W   and resid 562   and name HB1 ))
   (( segid W   and resid 564   and name HN ))
      5.200     5.200     0.800 peak   586 weight  0.10000E+01 volume  0.35361E-03 ppm1      2.809 ppm2      8.155 CV     1
 ASSI {  587}
   (( segid W   and resid 562   and name HB2 ))
   (( segid W   and resid 564   and name HN ))
      4.400     4.300     1.600 peak   587 weight  0.10000E+01 volume  0.21181E-03 ppm1      2.667 ppm2      8.151 CV     1
 ASSI {  592}
   (( segid W   and resid 538   and name HB2 ))
   (( segid W   and resid 539   and name HN ))
      2.900     1.900     1.900 peak   592 weight  0.10000E+01 volume  0.42006E-02 ppm1      1.338 ppm2      8.333 CV     1
 ASSI {  595}
   (( segid W   and resid 549   and name HB1 ))
   (( segid W   and resid 551   and name HN ))
      4.900     4.900     1.100 peak   595 weight  0.10000E+01 volume  0.29423E-03 ppm1      0.602 ppm2      8.329 CV     1
 ASSI {  598}
   (( segid W   and resid 552   and name HB1 ))
   (( segid W   and resid 551   and name HN ))
      5.100     5.100     0.900 peak   598 weight  0.10000E+01 volume  0.45425E-03 ppm1      3.648 ppm2      8.322 CV     1
 ASSI {  605}
   (( segid W   and resid 530   and name HD1 ))
   (( segid W   and resid 531   and name HN ))
      4.900     4.900     1.100 peak   605 weight  0.10000E+01 volume  0.25828E-03 ppm1      3.647 ppm2      8.557 CV     1
 ASSI {  606}
   (( segid W   and resid 530   and name HD2 ))
   (( segid W   and resid 531   and name HN ))
      4.900     4.900     1.100 peak   606 weight  0.10000E+01 volume  0.37979E-03 ppm1      3.783 ppm2      8.542 CV     1
 ASSI {  607}
   (( segid W   and resid 534   and name HA ))
   (( segid W   and resid 550   and name HN ))
      4.200     3.900     1.800 peak   607 weight  0.10000E+01 volume  0.43329E-03 ppm1      3.995 ppm2      8.519 CV     1
 ASSI {  609}
   (( segid W   and resid 523   and name HA ))
   (( segid W   and resid 523   and name HN ))
      3.900     3.400     2.100 peak   609 weight  0.10000E+01 volume  0.49096E-03 ppm1      4.328 ppm2      8.610 CV     1
 ASSI {  611}
   (( segid W   and resid 534   and name HB1 ))
   (( segid W   and resid 550   and name HN ))
      3.500     2.700     2.500 peak   611 weight  0.10000E+01 volume  0.48195E-03 ppm1      2.394 ppm2      8.521 CV     1
 ASSI {  612}
   ( segid P   and resid 232   and name HE% )
   (( segid W   and resid 550   and name HN ))
      4.800     4.800     1.200 peak   612 weight  0.10000E+01 volume  0.30751E-03 ppm1      6.400 ppm2      8.519 CV     1
 ASSI {  618}
   (( segid W   and resid 539   and name HA ))
   (( segid W   and resid 538   and name HN ))
      4.100     3.900     1.900 peak   618 weight  0.10000E+01 volume  0.45729E-03 ppm1      4.418 ppm2      8.060 CV     1
 ASSI {  619}
   ( segid W   and resid 546   and name HE% )
   (( segid W   and resid 538   and name HN ))
      4.400     4.400     1.600 peak   619 weight  0.10000E+01 volume  0.34052E-03 ppm1      6.752 ppm2      8.069 CV     1
 ASSI {  622}
   (( segid W   and resid 537   and name HN ))
   (( segid W   and resid 538   and name HN ))
      4.400     4.400     1.600 peak   622 weight  0.10000E+01 volume  0.48394E-03 ppm1      8.702 ppm2      8.058 CV     1
 ASSI {  624}
   (( segid W   and resid 547   and name HN ))
   (( segid W   and resid 538   and name HN ))
      4.300     4.200     1.700 peak   624 weight  0.10000E+01 volume  0.38681E-03 ppm1      9.088 ppm2      8.060 CV     1
 ASSI {  625}
   ( segid W   and resid 558   and name HD1%) 
   (( segid W   and resid 566   and name HN ))
      4.900     4.900     1.100 peak   625 weight  0.10000E+01 volume  0.50101E-03 ppm1      0.845 ppm2      8.426 CV     1
 ASSI {  626}
   ( segid W   and resid 558   and name HG2%) 
   (( segid W   and resid 566   and name HN ))
      5.700     5.700     0.300 peak   626 weight  0.10000E+01 volume  0.24349E-03 ppm1      0.570 ppm2      8.430 CV     1
 ASSI {  642}
   (( segid W   and resid 557   and name HZ2 ))
   (( segid W   and resid 544   and name HN ))
      5.100     5.100     0.900 peak   642 weight  0.10000E+01 volume  0.32838E-03 ppm1      7.123 ppm2      8.109 CV     1
 ASSI {  643}
   (( segid W   and resid 542   and name HD22)) 
   (( segid W   and resid 544   and name HN ))
      5.300     5.300     0.700 peak   643 weight  0.10000E+01 volume  0.26483E-03 ppm1      5.552 ppm2      8.117 CV     1
 ASSI {  646}
   (( segid W   and resid 542   and name HB2 ))
   (( segid W   and resid 544   and name HN ))
      3.700     3.100     2.300 peak   646 weight  0.10000E+01 volume  0.35854E-03 ppm1      3.225 ppm2      8.107 CV     1
 ASSI {  647}
   (( segid W   and resid 542   and name HB1 ))
   (( segid W   and resid 544   and name HN ))
      5.900     5.900     0.100 peak   647 weight  0.10000E+01 volume  0.21882E-03 ppm1      2.875 ppm2      8.096 CV     1
 ASSI {  648}
   (( segid W   and resid 544   and name HD2 ))
   (( segid W   and resid 544   and name HN ))
      4.600     4.600     1.400 peak   648 weight  0.10000E+01 volume  0.45662E-03 ppm1      1.297 ppm2      8.100 CV     1
 ASSI {  649}
   (( segid W   and resid 557   and name HE3 ))
   (( segid W   and resid 545   and name HN ))
      4.800     4.800     1.200 peak   649 weight  0.10000E+01 volume  0.23893E-03 ppm1      8.247 ppm2      8.971 CV     1
 ASSI {  650}
   ( segid W   and resid 546   and name HD% )
   (( segid W   and resid 545   and name HN ))
      4.800     4.800     1.200 peak   650 weight  0.10000E+01 volume  0.29651E-03 ppm1      6.996 ppm2      8.971 CV     1
 ASSI {  651}
   (( segid W   and resid 557   and name HZ3 ))
   (( segid W   and resid 545   and name HN ))
      4.400     4.200     1.600 peak   651 weight  0.10000E+01 volume  0.30182E-03 ppm1      6.942 ppm2      8.967 CV     1
 ASSI {  652}
   (( segid W   and resid 546   and name HA ))
   (( segid W   and resid 545   and name HN ))
      4.600     4.600     1.400 peak   652 weight  0.10000E+01 volume  0.26360E-03 ppm1      5.197 ppm2      8.971 CV     1
 ASSI {  653}
   (( segid W   and resid 546   and name HB1 ))
   (( segid W   and resid 545   and name HN ))
      5.800     5.800     0.200 peak   653 weight  0.10000E+01 volume  0.19170E-03 ppm1      2.575 ppm2      8.980 CV     1
 ASSI {  654}
   (( segid W   and resid 544   and name HD1 ))
   (( segid W   and resid 545   and name HN ))
      5.300     5.300     0.700 peak   654 weight  0.10000E+01 volume  0.38321E-03 ppm1      2.443 ppm2      8.976 CV     1
 ASSI {  655}
   (( segid W   and resid 544   and name HD2 ))
   (( segid W   and resid 545   and name HN ))
      5.200     5.200     0.800 peak   655 weight  0.10000E+01 volume  0.44799E-03 ppm1      1.299 ppm2      8.978 CV     1
 ASSI {  663}
   (( segid W   and resid 535   and name HE3 ))
   (( segid W   and resid 549   and name HN ))
      4.200     4.000     1.800 peak   663 weight  0.10000E+01 volume  0.30523E-03 ppm1      7.554 ppm2      8.274 CV     1
 ASSI {  664}
   (( segid W   and resid 535   and name HA ))
   (( segid W   and resid 549   and name HN ))
      4.800     4.800     1.200 peak   664 weight  0.10000E+01 volume  0.29736E-03 ppm1      6.266 ppm2      8.270 CV     1
 ASSI {  665}
   ( segid P   and resid 232   and name HE% )
   (( segid W   and resid 549   and name HN ))
      5.300     5.300     0.700 peak   665 weight  0.10000E+01 volume  0.20213E-03 ppm1      6.403 ppm2      8.259 CV     1
 ASSI {  666}
   (( segid W   and resid 554   and name HA ))
   (( segid W   and resid 549   and name HN ))
      4.600     4.600     1.400 peak   666 weight  0.10000E+01 volume  0.29272E-03 ppm1      4.916 ppm2      8.268 CV     1
 ASSI {  667}
   (( segid W   and resid 547   and name HA ))
   (( segid W   and resid 549   and name HN ))
      5.400     5.400     0.600 peak   667 weight  0.10000E+01 volume  0.27612E-03 ppm1      5.124 ppm2      8.267 CV     1
 ASSI {  669}
   (( segid W   and resid 553   and name HA ))
   (( segid W   and resid 549   and name HN ))
      4.600     4.600     1.400 peak   669 weight  0.10000E+01 volume  0.32743E-03 ppm1      2.300 ppm2      8.272 CV     1
 ASSI {  670}
   (( segid P   and resid 229   and name HB1 ))
   (( segid W   and resid 557   and name HN ))
      5.400     5.400     0.600 peak   670 weight  0.10000E+01 volume  0.26834E-03 ppm1      1.382 ppm2      8.838 CV     1
 ASSI {  677}
   (( segid W   and resid 555   and name HB ))
   (( segid W   and resid 557   and name HN ))
      5.600     5.600     0.400 peak   677 weight  0.10000E+01 volume  0.20887E-03 ppm1      4.204 ppm2      8.838 CV     1
 ASSI {  679}
   (( segid W   and resid 557   and name HE3 ))
   (( segid W   and resid 557   and name HN ))
      5.300     5.300     0.700 peak   679 weight  0.10000E+01 volume  0.25743E-03 ppm1      8.248 ppm2      8.830 CV     1
 ASSI {  680}
   (( segid W   and resid 558   and name HA ))
   (( segid W   and resid 565   and name HN ))
      4.600     4.600     1.400 peak   680 weight  0.10000E+01 volume  0.30201E-03 ppm1      3.796 ppm2      8.610 CV     1
 ASSI {  681}
   ( segid W   and resid 558   and name HD1%) 
   (( segid W   and resid 565   and name HN ))
      4.100     3.800     1.900 peak   681 weight  0.10000E+01 volume  0.46753E-03 ppm1      0.835 ppm2      8.610 CV     1
 ASSI {  682}
   ( segid W   and resid 558   and name HG2%) 
   (( segid W   and resid 565   and name HN ))
      4.600     4.600     1.400 peak   682 weight  0.10000E+01 volume  0.31510E-03 ppm1      0.557 ppm2      8.606 CV     1
 ASSI {  690}
   (( segid W   and resid 560   and name HD1 ))
   (( segid W   and resid 559   and name HN ))
      4.700     4.700     1.300 peak   690 weight  0.10000E+01 volume  0.46203E-03 ppm1      2.877 ppm2      7.925 CV     1
 ASSI {  692}
   (( segid W   and resid 564   and name HA ))
   (( segid W   and resid 559   and name HN ))
      5.200     5.200     0.800 peak   692 weight  0.10000E+01 volume  0.19530E-03 ppm1      4.420 ppm2      7.925 CV     1
 ASSI {  694}
   (( segid W   and resid 562   and name HD21)) 
   (( segid W   and resid 559   and name HN ))
      5.400     5.400     0.600 peak   694 weight  0.10000E+01 volume  0.22148E-03 ppm1      6.750 ppm2      7.917 CV     1
 ASSI {  697}
   (( segid W   and resid 557   and name HH2 ))
   (( segid W   and resid 542   and name HD21)) 
      3.200     2.400     2.400 peak   697 weight  0.10000E+01 volume  0.10864E-02 ppm1      6.980 ppm2      7.542 CV     1
 ASSI {  699}
   (( segid W   and resid 542   and name HD22)) 
   (( segid W   and resid 542   and name HD21)) 
      1.700     0.800     0.800 peak   699 weight  0.10000E+01 volume  0.14691E-01 ppm1      5.541 ppm2      7.548 CV     1
 ASSI {  700}
   (( segid W   and resid 542   and name HA ))
   (( segid W   and resid 542   and name HD21)) 
      4.400     4.200     1.600 peak   700 weight  0.10000E+01 volume  0.88288E-03 ppm1      4.487 ppm2      7.544 CV     1
 ASSI {  701}
   (( segid P   and resid 228   and name HA1 ))
   (( segid W   and resid 542   and name HD21)) 
      3.800     3.200     2.200 peak   701 weight  0.10000E+01 volume  0.93774E-03 ppm1      4.095 ppm2      7.542 CV     1
 ASSI {  702}
   (( segid P   and resid 228   and name HA2 ))
   (( segid W   and resid 542   and name HD21)) 
      4.700     4.700     1.300 peak   702 weight  0.10000E+01 volume  0.75559E-03 ppm1      3.870 ppm2      7.544 CV     1
 ASSI {  703}
   (( segid P   and resid 227   and name HA ))
   (( segid W   and resid 542   and name HD21)) 
      4.900     4.900     1.100 peak   703 weight  0.10000E+01 volume  0.20393E-03 ppm1      3.639 ppm2      7.557 CV     1
 ASSI {  704}
   (( segid W   and resid 542   and name HB2 ))
   (( segid W   and resid 542   and name HD21)) 
      2.500     1.500     1.500 peak   704 weight  0.10000E+01 volume  0.25510E-02 ppm1      3.220 ppm2      7.542 CV     1
 ASSI {  705}
   (( segid W   and resid 542   and name HB1 ))
   (( segid W   and resid 542   and name HD21)) 
      2.900     2.000     2.000 peak   705 weight  0.10000E+01 volume  0.24982E-02 ppm1      2.890 ppm2      7.550 CV     1
 ASSI {  709}
   (( segid W   and resid 544   and name HD2 ))
   (( segid W   and resid 542   and name HD21)) 
      3.700     3.100     2.300 peak   709 weight  0.10000E+01 volume  0.50984E-03 ppm1      1.294 ppm2      7.546 CV     1
 ASSI {  713}
   ( segid W   and resid 547   and name HE% )
   (( segid W   and resid 561   and name HH21)) 
      4.500     4.400     1.500 peak   713 weight  0.10000E+01 volume  0.34346E-03 ppm1      7.314 ppm2      7.043 CV     1
 ASSI {  715}
   (( segid W   and resid 561   and name HG2 ))
   (( segid W   and resid 561   and name HH21)) 
      5.700     5.700     0.300 peak   715 weight  0.10000E+01 volume  0.17946E-03 ppm1      1.124 ppm2      7.064 CV     1
 ASSI {  717}
   (( segid W   and resid 561   and name HG1 ))
   (( segid W   and resid 561   and name HH21)) 
      4.800     4.800     1.200 peak   717 weight  0.10000E+01 volume  0.37818E-03 ppm1      1.770 ppm2      7.039 CV     1
 OR {  717}
   (( segid W   and resid 561   and name HB1 ))
   (( segid W   and resid 561   and name HH21)) 
 ASSI {  719}
   ( segid W   and resid 531   and name HD2%) 
   (( segid W   and resid 561   and name HH21)) 
      4.000     3.600     2.000 peak   719 weight  0.10000E+01 volume  0.47019E-03 ppm1      0.860 ppm2      7.035 CV     1
 ASSI {  729}
   ( segid P   and resid 232   and name HD% )
   (( segid W   and resid 553   and name HN ))
      4.900     4.900     1.100 peak   729 weight  0.10000E+01 volume  0.42674E-03 ppm1      6.633 ppm2      7.358 CV     1
 ASSI {  730}
   ( segid P   and resid 232   and name HE% )
   (( segid W   and resid 553   and name HN ))
      5.000     5.000     1.000 peak   730 weight  0.10000E+01 volume  0.34726E-03 ppm1      6.411 ppm2      7.366 CV     1
 ASSI {  731}
   (( segid W   and resid 554   and name HA ))
   (( segid W   and resid 553   and name HN ))
      4.800     4.800     1.200 peak   731 weight  0.10000E+01 volume  0.40740E-03 ppm1      4.932 ppm2      7.373 CV     1
 ASSI {  732}
   (( segid W   and resid 553   and name HD2 ))
   (( segid W   and resid 553   and name HN ))
      4.400     4.400     1.600 peak   732 weight  0.10000E+01 volume  0.45890E-03 ppm1      2.883 ppm2      7.364 CV     1
 ASSI {  733}
   (( segid W   and resid 549   and name HB2 ))
   (( segid W   and resid 553   and name HN ))
      4.000     3.600     2.000 peak   733 weight  0.10000E+01 volume  0.42067E-03 ppm1      2.046 ppm2      7.364 CV     1
 ASSI {  737}
   (( segid W   and resid 555   and name HN ))
   (( segid W   and resid 554   and name HN ))
      4.500     4.500     1.500 peak   737 weight  0.10000E+01 volume  0.44116E-03 ppm1      8.016 ppm2      7.421 CV     1
 ASSI {  738}
   (( segid W   and resid 552   and name HB1 ))
   (( segid W   and resid 554   and name HN ))
      4.200     3.900     1.800 peak   738 weight  0.10000E+01 volume  0.37353E-03 ppm1      3.654 ppm2      7.432 CV     1
 ASSI {  739}
   (( segid P   and resid 232   and name HB1 ))
   (( segid W   and resid 554   and name HN ))
      5.300     5.300     0.700 peak   739 weight  0.10000E+01 volume  0.25003E-03 ppm1      2.793 ppm2      7.438 CV     1
 ASSI {  740}
   (( segid W   and resid 553   and name HD2 ))
   (( segid W   and resid 554   and name HN ))
      5.200     5.200     0.800 peak   740 weight  0.10000E+01 volume  0.30941E-03 ppm1      2.906 ppm2      7.426 CV     1
 ASSI {  741}
   (( segid W   and resid 561   and name HE ))
   (( segid W   and resid 562   and name HN ))
      5.000     5.000     1.000 peak   741 weight  0.10000E+01 volume  0.33379E-03 ppm1      8.861 ppm2      7.155 CV     1
 ASSI {  742}
   (( segid W   and resid 564   and name HN ))
   (( segid W   and resid 562   and name HN ))
      5.200     5.200     0.800 peak   742 weight  0.10000E+01 volume  0.39127E-03 ppm1      8.168 ppm2      7.161 CV     1
 ASSI {  743}
   (( segid W   and resid 562   and name HD22)) 
   (( segid W   and resid 562   and name HN ))
      3.800     3.300     2.200 peak   743 weight  0.10000E+01 volume  0.42674E-03 ppm1      7.413 ppm2      7.159 CV     1
 ASSI {  744}
   (( segid W   and resid 562   and name HD21)) 
   (( segid W   and resid 562   and name HN ))
      5.000     5.000     1.000 peak   744 weight  0.10000E+01 volume  0.26910E-03 ppm1      6.754 ppm2      7.159 CV     1
 ASSI {  745}
   (( segid W   and resid 559   and name HB1 ))
   (( segid W   and resid 562   and name HN ))
      4.000     3.600     2.000 peak   745 weight  0.10000E+01 volume  0.32402E-03 ppm1      2.115 ppm2      7.159 CV     1
 ASSI {  748}
   (( segid W   and resid 561   and name HG2 ))
   (( segid W   and resid 562   and name HN ))
      4.400     4.400     1.600 peak   748 weight  0.10000E+01 volume  0.41432E-03 ppm1      1.133 ppm2      7.161 CV     1
 ASSI {  749}
   (( segid W   and resid 539   and name HN ))
   (( segid W   and resid 538   and name HE21)) 
      4.600     4.600     1.400 peak   749 weight  0.10000E+01 volume  0.42835E-03 ppm1      8.311 ppm2      7.540 CV     1
 ASSI {  751}
   (( segid W   and resid 546   and name HZ ))
   (( segid W   and resid 538   and name HE21)) 
      4.700     4.700     1.300 peak   751 weight  0.10000E+01 volume  0.22755E-03 ppm1      7.025 ppm2      7.538 CV     1
 ASSI {  752}
   (( segid W   and resid 538   and name HA ))
   (( segid W   and resid 538   and name HE21)) 
      5.000     5.000     1.000 peak   752 weight  0.10000E+01 volume  0.36737E-03 ppm1      4.295 ppm2      7.542 CV     1
 ASSI {  756}
   (( segid W   and resid 564   and name HB2 ))
   (( segid W   and resid 562   and name HD22)) 
      3.700     3.200     2.300 peak   756 weight  0.10000E+01 volume  0.48679E-03 ppm1      1.685 ppm2      7.419 CV     1
 ASSI {  757}
   (( segid W   and resid 561   and name HB2 ))
   (( segid W   and resid 562   and name HD22)) 
      4.100     3.800     1.900 peak   757 weight  0.10000E+01 volume  0.43291E-03 ppm1      1.514 ppm2      7.419 CV     1
 ASSI {  761}
   ( segid P   and resid 236   and name HD1%) 
   (( segid W   and resid 538   and name HE22)) 
      5.200     5.200     0.800 peak   761 weight  0.10000E+01 volume  0.25013E-03 ppm1      0.687 ppm2      7.301 CV     1
 ASSI {  762}
   (( segid W   and resid 562   and name HA ))
   (( segid W   and resid 562   and name HD21)) 
      5.200     5.200     0.800 peak   762 weight  0.10000E+01 volume  0.39345E-03 ppm1      4.605 ppm2      6.749 CV     1
 ASSI {  763}
   (( segid W   and resid 559   and name HB1 ))
   (( segid W   and resid 562   and name HD21)) 
      4.500     4.500     1.500 peak   763 weight  0.10000E+01 volume  0.35874E-03 ppm1      2.146 ppm2      6.751 CV     1
 ASSI {  764}
   (( segid W   and resid 564   and name HG1 ))
   (( segid W   and resid 562   and name HD21)) 
      5.100     5.100     0.900 peak   764 weight  0.10000E+01 volume  0.41147E-03 ppm1      1.504 ppm2      6.743 CV     1
 ASSI {  768}
   (( segid W   and resid 564   and name HN ))
   (( segid W   and resid 562   and name HD21)) 
      5.600     5.600     0.400 peak   768 weight  0.10000E+01 volume  0.26625E-03 ppm1      8.156 ppm2      6.751 CV     1
 ASSI {  770}
   (( segid W   and resid 564   and name HN ))
   (( segid W   and resid 562   and name HD22)) 
      4.400     4.400     1.600 peak   770 weight  0.10000E+01 volume  0.23770E-03 ppm1      8.162 ppm2      7.419 CV     1
 ASSI {  771}
   (( segid W   and resid 553   and name HG2 ))
   (( segid W   and resid 552   and name HN ))
      5.300     5.300     0.700 peak   771 weight  0.10000E+01 volume  0.41555E-03 ppm1      0.996 ppm2      6.984 CV     1
 ASSI {  772}
   (( segid W   and resid 553   and name HB2 ))
   (( segid W   and resid 552   and name HN ))
      5.200     5.200     0.800 peak   772 weight  0.10000E+01 volume  0.40104E-03 ppm1      0.813 ppm2      6.988 CV     1
 ASSI {  776}
   (( segid W   and resid 543   and name HN ))
   (( segid W   and resid 542   and name HD22)) 
      6.000     6.000     0.000 peak   776 weight  0.10000E+01 volume  0.22642E-03 ppm1      8.741 ppm2      5.539 CV     1
 ASSI {  778}
   (( segid P   and resid 229   and name HN ))
   (( segid W   and resid 542   and name HD22)) 
      5.800     5.800     0.200 peak   778 weight  0.10000E+01 volume  0.25525E-03 ppm1      7.785 ppm2      5.535 CV     1
 ASSI {  783}
   (( segid P   and resid 228   and name HA1 ))
   (( segid W   and resid 542   and name HD22)) 
      4.400     4.300     1.600 peak   783 weight  0.10000E+01 volume  0.67451E-03 ppm1      4.095 ppm2      5.537 CV     1
 ASSI {  784}
   (( segid P   and resid 228   and name HA2 ))
   (( segid W   and resid 542   and name HD22)) 
      5.200     5.200     0.800 peak   784 weight  0.10000E+01 volume  0.52406E-03 ppm1      3.867 ppm2      5.539 CV     1
 ASSI {  793}
   (( segid W   and resid 549   and name HA ))
   (( segid W   and resid 535   and name HE1 ))
      4.100     3.900     1.900 peak   793 weight  0.10000E+01 volume  0.42286E-03 ppm1      3.475 ppm2     10.117 CV     1
 ASSI {  794}
   (( segid W   and resid 566   and name HN ))
   (( segid W   and resid 559   and name HN ))
      4.200     4.000     1.800 peak   794 weight  0.10000E+01 volume  0.47967E-03 ppm1      8.432 ppm2      7.925 CV     1
 ASSI {  799}
   (( segid W   and resid 557   and name HH2 ))
   (( segid W   and resid 557   and name HE1 ))
      5.000     5.000     1.000 peak   799 weight  0.10000E+01 volume  0.39412E-03 ppm1      6.978 ppm2     10.181 CV     1
 ASSI {  800}
   (( segid W   and resid 557   and name HZ2 ))
   (( segid W   and resid 557   and name HE1 ))
      2.800     1.900     1.900 peak   800 weight  0.10000E+01 volume  0.28790E-02 ppm1      7.154 ppm2     10.187 CV     1
 ASSI {  802}
   (( segid W   and resid 553   and name HN ))
   (( segid W   and resid 551   and name HN ))
      3.200     2.400     2.400 peak   802 weight  0.10000E+01 volume  0.20049E-02 ppm1      7.354 ppm2      8.320 CV     1
 ASSI {  804}
   (( segid W   and resid 535   and name HA ))
   (( segid W   and resid 551   and name HN ))
      5.200     5.200     0.800 peak   804 weight  0.10000E+01 volume  0.29328E-03 ppm1      6.236 ppm2      8.320 CV     1
 ASSI {  807}
   (( segid W   and resid 557   and name HA ))
   (( segid W   and resid 557   and name HE1 ))
      5.200     5.200     0.800 peak   807 weight  0.10000E+01 volume  0.21892E-03 ppm1      5.483 ppm2     10.180 CV     1
 ASSI {  810}
   (( segid W   and resid 526   and name HN ))
   (( segid W   and resid 527   and name HN ))
      4.400     4.400     1.600 peak   810 weight  0.10000E+01 volume  0.40474E-03 ppm1      8.615 ppm2      8.227 CV     1
 ASSI {  812}
   (( segid W   and resid 528   and name HA ))
   (( segid W   and resid 561   and name HH21)) 
      5.200     5.200     0.800 peak   812 weight  0.10000E+01 volume  0.22869E-03 ppm1      4.194 ppm2      7.028 CV     1
 ASSI {  814}
   (( segid P   and resid 232   and name HB2 ))
   (( segid W   and resid 554   and name HN ))
      4.100     3.800     1.900 peak   814 weight  0.10000E+01 volume  0.27213E-03 ppm1      2.521 ppm2      7.426 CV     1
  ASSI {  817}
   ( segid P   and resid 227   and name HG2%) 
   (( segid W   and resid 557   and name HE1 ))
      4.000     3.700     2.000 peak   817 weight  0.10000E+01 volume  0.56959E-03 ppm1      1.292 ppm2     10.189 CV     1
 ASSI {  818}
   (( segid W   and resid 555   and name HB ))
   (( segid W   and resid 546   and name HN ))
      6.000     6.000     0.000 peak   818 weight  0.10000E+01 volume  0.37552E-03 ppm1      4.186 ppm2      9.344 CV     1
 ASSI {  820}
   (( segid W   and resid 558   and name HN ))
   (( segid W   and resid 556   and name HN ))
      4.800     4.800     1.200 peak   820 weight  0.10000E+01 volume  0.30799E-03 ppm1      8.690 ppm2      9.126 CV     1
 ASSI {  821}
   ( segid P   and resid 229   and name HD1%) 
   (( segid W   and resid 547   and name HN ))
      5.500     5.500     0.500 peak   821 weight  0.10000E+01 volume  0.18022E-03 ppm1      0.209 ppm2      9.115 CV     1
 ASSI {  822}
   (( segid W   and resid 544   and name HG1 ))
   (( segid W   and resid 545   and name HN ))
      3.400     2.700     2.600 peak   822 weight  0.10000E+01 volume  0.16216E-02 ppm1      1.603 ppm2      8.971 CV     1
 ASSI {  829}
   (( segid W   and resid 548   and name HG11)) 
   (( segid W   and resid 538   and name HN ))
      5.300     5.300     0.700 peak   829 weight  0.10000E+01 volume  0.24377E-03 ppm1      0.605 ppm2      8.060 CV     1
 ASSI {  831}
   (( segid W   and resid 549   and name HN ))
   (( segid W   and resid 555   and name HN ))
      4.300     4.200     1.700 peak   831 weight  0.10000E+01 volume  0.40312E-03 ppm1      8.256 ppm2      8.020 CV     1
 ASSI {  836}
   (( segid W   and resid 549   and name HA ))
   (( segid W   and resid 535   and name HN ))
      4.800     4.800     1.200 peak   836 weight  0.10000E+01 volume  0.41783E-03 ppm1      3.481 ppm2      7.931 CV     1
 ASSI {  837}
   (( segid W   and resid 562   and name HN ))
   (( segid W   and resid 561   and name HN ))
      2.700     1.700     1.700 peak   837 weight  0.10000E+01 volume  0.23513E-02 ppm1      7.182 ppm2      8.475 CV     1
 ASSI {  840}
   (( segid W   and resid 545   and name HN ))
   (( segid W   and resid 540   and name HN ))
      5.000     5.000     1.000 peak   840 weight  0.10000E+01 volume  0.26777E-03 ppm1      8.979 ppm2      9.399 CV     1
 ASSI {  841}
   (( segid W   and resid 535   and name HA ))
   (( segid W   and resid 534   and name HN ))
      5.300     5.300     0.700 peak   841 weight  0.10000E+01 volume  0.21465E-03 ppm1      6.277 ppm2      8.914 CV     1
 ASSI {  842}
   (( segid W   and resid 534   and name HN ))
   (( segid W   and resid 550   and name HN ))
      5.000     5.000     1.000 peak   842 weight  0.10000E+01 volume  0.42067E-03 ppm1      8.918 ppm2      8.502 CV     1
 ASSI {  843}
   (( segid W   and resid 541   and name HG2 ))
   (( segid W   and resid 543   and name HN ))
      5.500     5.500     0.500 peak   843 weight  0.10000E+01 volume  0.19094E-03 ppm1      2.103 ppm2      8.710 CV     1
 OR {  843}
   (( segid W   and resid 541   and name HG1 ))
   (( segid W   and resid 543   and name HN ))
 ASSI {  845}
   (( segid W   and resid 559   and name HB1 ))
   (( segid W   and resid 563   and name HN ))
      4.400     4.300     1.600 peak   845 weight  0.10000E+01 volume  0.20896E-03 ppm1      2.111 ppm2      8.519 CV     1
 ASSI {  846}
   (( segid W   and resid 534   and name HG1 ))
   (( segid W   and resid 550   and name HN ))
      5.500     5.500     0.500 peak   846 weight  0.10000E+01 volume  0.32288E-03 ppm1      1.669 ppm2      8.511 CV     1
 ASSI {  849}
   ( segid W   and resid 547   and name HE% )
   (( segid W   and resid 561   and name HN ))
      5.000     5.000     1.000 peak   849 weight  0.10000E+01 volume  0.21484E-03 ppm1      7.306 ppm2      8.469 CV     1
 ASSI {  851}
   (( segid W   and resid 538   and name HE22)) 
   (( segid W   and resid 539   and name HN ))
      4.800     4.800     1.200 peak   851 weight  0.10000E+01 volume  0.36746E-03 ppm1      7.324 ppm2      8.333 CV     1
 ASSI {  852}
   (( segid W   and resid 546   and name HZ ))
   (( segid W   and resid 539   and name HN ))
      4.600     4.600     1.400 peak   852 weight  0.10000E+01 volume  0.36461E-03 ppm1      7.005 ppm2      8.337 CV     1
 OR {  852}
   ( segid W   and resid 546   and name HD% )
   (( segid W   and resid 539   and name HN ))
 ASSI {  853}
   (( segid W   and resid 536   and name HB1 ))
   (( segid W   and resid 538   and name HN ))
      5.700     5.700     0.300 peak   853 weight  0.10000E+01 volume  0.19881E-03 ppm1      3.913 ppm2      8.068 CV     1
 ASSI {  856}
   (( segid W   and resid 557   and name HZ2 ))
   (( segid W   and resid 542   and name HD21)) 
      3.000     2.100     2.100 peak   856 weight  0.10000E+01 volume  0.11889E-02 ppm1      7.139 ppm2      7.546 CV     1
 ASSI {  857}
   (( segid W   and resid 544   and name HG2 ))
   (( segid W   and resid 542   and name HD21)) 
      3.400     2.600     2.600 peak   857 weight  0.10000E+01 volume  0.55356E-03 ppm1      1.459 ppm2      7.544 CV     1
 ASSI {  860}
   ( segid W   and resid 558   and name HD1%) 
   (( segid W   and resid 557   and name HN ))
      4.500     4.400     1.500 peak   860 weight  0.10000E+01 volume  0.81813E-03 ppm1      0.843 ppm2      8.830 CV     1
 ASSI {  878}
   ( segid W   and resid 539   and name HG2%) 
   (( segid W   and resid 540   and name HN ))
      4.100     3.800     1.900 peak   878 weight  0.10000E+01 volume  0.19917E-02 ppm1      0.878 ppm2      9.394 CV     1
 ASSI {  879}
   (( segid W   and resid 557   and name HE3 ))
   (( segid W   and resid 557   and name HE1 ))
      4.800     4.800     1.200 peak   879 weight  0.10000E+01 volume  0.21029E-03 ppm1      8.218 ppm2     10.189 CV     1
 ASSI {  880}
   ( segid W   and resid 546   and name HE% )
   (( segid W   and resid 538   and name HE21)) 
      4.500     4.500     1.500 peak   880 weight  0.10000E+01 volume  0.40597E-03 ppm1      6.801 ppm2      7.535 CV     1
 ASSI {  881}
   ( segid P   and resid 229   and name HD2%) 
   (( segid W   and resid 557   and name HN ))
      4.700     4.700     1.300 peak   881 weight  0.10000E+01 volume  0.28712E-03 ppm1     -0.913 ppm2      8.827 CV     1
 ASSI {  883}
   ( segid P   and resid 229   and name HD2%) 
   (( segid W   and resid 557   and name HE1 ))
      3.800     3.300     2.200 peak   883 weight  0.10000E+01 volume  0.10764E-02 ppm1     -0.926 ppm2     10.173 CV     1
 ASSI {  884}
   (( segid W   and resid 550   and name HN ))
   (( segid W   and resid 535   and name HE1 ))
      4.600     4.600     1.400 peak   884 weight  0.10000E+01 volume  0.29025E-03 ppm1      8.523 ppm2     10.124 CV     1
 ASSI {  886}
   ( segid P   and resid 229   and name HD2%) 
   (( segid W   and resid 556   and name HN ))
      4.700     4.700     1.300 peak   886 weight  0.10000E+01 volume  0.36547E-03 ppm1     -0.944 ppm2      9.127 CV     1
 ASSI {  890}
   (( segid W   and resid 531   and name HB2 ))
   (( segid W   and resid 531   and name HN ))
      2.700     1.800     1.800 peak   890 weight  0.10000E+01 volume  0.31896E-02 ppm1      1.472 ppm2      8.551 CV     1
 ASSI {  894}
   (( segid W   and resid 534   and name HA ))
   (( segid W   and resid 551   and name HN ))
      5.200     5.200     0.800 peak   894 weight  0.10000E+01 volume  0.36651E-03 ppm1      4.004 ppm2      8.320 CV     1
 ASSI {  899}
   (( segid P   and resid 237   and name HA ))
   (( segid W   and resid 538   and name HE22)) 
      5.000     5.000     1.000 peak   899 weight  0.10000E+01 volume  0.19473E-03 ppm1      4.353 ppm2      7.297 CV     1
 ASSI {  900}
   (( segid W   and resid 555   and name HA ))
   (( segid W   and resid 554   and name HN ))
      4.800     4.800     1.200 peak   900 weight  0.10000E+01 volume  0.21304E-03 ppm1      5.511 ppm2      7.418 CV     1
 ASSI {  902}
   (( segid W   and resid 550   and name HN ))
   (( segid W   and resid 553   and name HN ))
      4.500     4.500     1.500 peak   902 weight  0.10000E+01 volume  0.27080E-03 ppm1      8.514 ppm2      7.372 CV     1
 ASSI {  904}
   (( segid W   and resid 544   and name HG2 ))
   (( segid W   and resid 542   and name HD22)) 
      4.400     4.400     1.600 peak   904 weight  0.10000E+01 volume  0.54948E-03 ppm1      1.493 ppm2      5.538 CV     1
 OR {  904}
   (( segid W   and resid 544   and name HB2 ))
   (( segid W   and resid 542   and name HD22)) 
 ASSI {  906}
   (( segid W   and resid 533   and name HG2 ))
   (( segid W   and resid 535   and name HE1 ))
      5.000     5.000     1.000 peak   906 weight  0.10000E+01 volume  0.31169E-03 ppm1      2.107 ppm2     10.120 CV     1
 OR {  906}
   (( segid W   and resid 533   and name HG1 ))
   (( segid W   and resid 535   and name HE1 ))
 ASSI {  910}
   (( segid W   and resid 535   and name HB2 ))
   (( segid W   and resid 534   and name HN ))
      6.000     6.000     0.000 peak   910 weight  0.10000E+01 volume  0.18468E-03 ppm1      3.355 ppm2      8.908 CV     1
 ASSI {  911}
   (( segid W   and resid 562   and name HD22)) 
   (( segid W   and resid 561   and name HE ))
      5.000     5.000     1.000 peak   911 weight  0.10000E+01 volume  0.21256E-03 ppm1      7.427 ppm2      8.848 CV     1
 ASSI {  913}
   (( segid W   and resid 561   and name HE ))
   (( segid W   and resid 531   and name HN ))
      4.700     4.700     1.300 peak   913 weight  0.10000E+01 volume  0.21655E-03 ppm1      8.818 ppm2      8.554 CV     1
 ASSI {  918}
   (( segid W   and resid 535   and name HB1 ))
   (( segid W   and resid 550   and name HN ))
      4.900     4.900     1.100 peak   918 weight  0.10000E+01 volume  0.34261E-03 ppm1      3.260 ppm2      8.506 CV     1
 ASSI {  919}
   (( segid W   and resid 560   and name HB2 ))
   (( segid W   and resid 561   and name HN ))
      3.600     3.000     2.400 peak   919 weight  0.10000E+01 volume  0.66777E-03 ppm1      0.704 ppm2      8.473 CV     1
 ASSI {  922}
   (( segid W   and resid 564   and name HB1 ))
   (( segid W   and resid 566   and name HN ))
      5.300     5.300     0.700 peak   922 weight  0.10000E+01 volume  0.16665E-03 ppm1      1.749 ppm2      8.423 CV     1
 ASSI {  928}
   (( segid P   and resid 229   and name HG ))
   (( segid W   and resid 555   and name HN ))
      5.500     5.500     0.500 peak   928 weight  0.10000E+01 volume  0.17263E-03 ppm1      0.719 ppm2      8.020 CV     1
 ASSI {  930}
   (( segid W   and resid 532   and name HA ))
   (( segid W   and resid 535   and name HN ))
      5.200     5.200     0.800 peak   930 weight  0.10000E+01 volume  0.16419E-03 ppm1      4.705 ppm2      7.943 CV     1
 ASSI {  931}
   (( segid W   and resid 533   and name HD1 ))
   (( segid W   and resid 535   and name HN ))
      5.200     5.200     0.800 peak   931 weight  0.10000E+01 volume  0.20270E-03 ppm1      3.607 ppm2      7.934 CV     1
 ASSI {  932}
   (( segid W   and resid 535   and name HB1 ))
   (( segid W   and resid 535   and name HN ))
      2.600     1.600     1.600 peak   932 weight  0.10000E+01 volume  0.37207E-02 ppm1      3.223 ppm2      7.934 CV     1
 ASSI {  940}
   (( segid W   and resid 561   and name HB2 ))
   (( segid W   and resid 561   and name HH21)) 
      5.700     5.700     0.300 peak   940 weight  0.10000E+01 volume  0.16191E-03 ppm1      1.542 ppm2      7.032 CV     1
 ASSI {  942}
   (( segid W   and resid 557   and name HZ2 ))
   (( segid W   and resid 542   and name HN ))
      5.700     5.700     0.300 peak   942 weight  0.10000E+01 volume  0.18268E-03 ppm1      7.131 ppm2      8.056 CV     1
 ASSI {  947}
   ( segid P   and resid 229   and name HD2%) 
   (( segid W   and resid 555   and name HN ))
      4.700     4.700     1.300 peak   947 weight  0.10000E+01 volume  0.19815E-03 ppm1     -0.957 ppm2      8.009 CV     1
 ASSI {    7}
   (( segid W   and resid 544   and name HG1 ))
   (( segid W   and resid 557   and name HE3 ))
      4.600     4.600     1.400 peak     7 weight  0.10000E+01 volume  0.40709E-03 ppm1      1.510 ppm2      8.237 CV     1
 OR {    7}
   (( segid W   and resid 544   and name HB2 ))
   (( segid W   and resid 557   and name HE3 ))
 ASSI {    9}
   (( segid W   and resid 544   and name HG2 ))
   (( segid W   and resid 557   and name HE3 ))
      3.400     2.600     2.600 peak     9 weight  0.10000E+01 volume  0.37320E-03 ppm1      1.613 ppm2      8.231 CV     1
 ASSI {   13}
   (( segid W   and resid 534   and name HN ))
   (( segid W   and resid 535   and name HD1 ))
      4.000     3.600     2.000 peak    13 weight  0.10000E+01 volume  0.46039E-03 ppm1      8.899 ppm2      7.293 CV     1
 ASSI {   15}
   (( segid W   and resid 535   and name HA ))
   (( segid W   and resid 535   and name HD1 ))
      4.100     3.800     1.900 peak    15 weight  0.10000E+01 volume  0.48164E-03 ppm1      6.243 ppm2      7.295 CV     1
 ASSI {   17}
   (( segid W   and resid 533   and name HD2 ))
   (( segid W   and resid 535   and name HD1 ))
      4.400     4.300     1.600 peak    17 weight  0.10000E+01 volume  0.45820E-03 ppm1      3.621 ppm2      7.303 CV     1
 ASSI {   18}
   (( segid W   and resid 549   and name HA ))
   (( segid W   and resid 535   and name HD1 ))
      4.200     4.000     1.800 peak    18 weight  0.10000E+01 volume  0.36597E-03 ppm1      3.469 ppm2      7.297 CV     1
 ASSI {   21}
   (( segid W   and resid 532   and name HB1 ))
   (( segid W   and resid 535   and name HD1 ))
      4.000     3.500     2.000 peak    21 weight  0.10000E+01 volume  0.18440E-02 ppm1      2.446 ppm2      7.299 CV     1
 ASSI {   22}
   (( segid W   and resid 532   and name HB2 ))
   (( segid W   and resid 535   and name HD1 ))
      2.300     1.200     1.200 peak    22 weight  0.10000E+01 volume  0.34436E-02 ppm1      1.950 ppm2      7.299 CV     1
 ASSI {   23}
   (( segid W   and resid 532   and name HG1 ))
   (( segid W   and resid 535   and name HD1 ))
      4.700     4.700     1.300 peak    23 weight  0.10000E+01 volume  0.13257E-02 ppm1      1.674 ppm2      7.299 CV     1
 ASSI {   24}
   (( segid W   and resid 532   and name HG2 ))
   (( segid W   and resid 535   and name HD1 ))
      3.800     3.200     2.200 peak    24 weight  0.10000E+01 volume  0.17102E-02 ppm1      1.376 ppm2      7.299 CV     1
 ASSI {   25}
   (( segid W   and resid 560   and name HB1 ))
   (( segid W   and resid 535   and name HD1 ))
      4.900     4.900     1.100 peak    25 weight  0.10000E+01 volume  0.37860E-03 ppm1      0.856 ppm2      7.302 CV     1
 ASSI {   26}
   (( segid W   and resid 560   and name HG1 ))
   (( segid W   and resid 535   and name HD1 ))
      4.800     4.800     1.200 peak    26 weight  0.10000E+01 volume  0.27522E-03 ppm1      0.162 ppm2      7.301 CV     1
 ASSI {   30}
   (( segid W   and resid 557   and name HB1 ))
   (( segid W   and resid 557   and name HD1 ))
      3.800     3.300     2.200 peak    30 weight  0.10000E+01 volume  0.17612E-02 ppm1      3.875 ppm2      7.245 CV     1
 ASSI {   31}
   (( segid W   and resid 557   and name HB2 ))
   (( segid W   and resid 557   and name HD1 ))
      2.700     1.700     1.700 peak    31 weight  0.10000E+01 volume  0.31685E-02 ppm1      3.100 ppm2      7.248 CV     1
 ASSI {   32}
   (( segid W   and resid 544   and name HG1 ))
   (( segid W   and resid 557   and name HD1 ))
      4.800     4.800     1.200 peak    32 weight  0.10000E+01 volume  0.38262E-03 ppm1      1.499 ppm2      7.246 CV     1
 OR {   32}
   (( segid W   and resid 544   and name HB2 ))
   (( segid W   and resid 557   and name HD1 ))
 ASSI {   33}
   ( segid P   and resid 229   and name HD1%) 
   (( segid W   and resid 557   and name HD1 ))
      4.400     4.300     1.600 peak    33 weight  0.10000E+01 volume  0.37297E-03 ppm1      0.218 ppm2      7.245 CV     1
 ASSI {   54}
   (( segid W   and resid 535   and name HE3 ))
   (( segid W   and resid 535   and name HH2 ))
      4.300     4.100     1.700 peak    54 weight  0.10000E+01 volume  0.76099E-03 ppm1      7.567 ppm2      7.115 CV     1
 ASSI {   55}
   (( segid W   and resid 535   and name HZ3 ))
   (( segid W   and resid 535   and name HH2 ))
      2.500     1.500     1.500 peak    55 weight  0.10000E+01 volume  0.41688E-02 ppm1      6.846 ppm2      7.119 CV     1
 ASSI {   56}
   (( segid W   and resid 547   and name HB2 ))
   (( segid W   and resid 535   and name HH2 ))
      4.800     4.800     1.200 peak    56 weight  0.10000E+01 volume  0.52632E-03 ppm1      3.336 ppm2      7.107 CV     1
 ASSI {   57}
   (( segid W   and resid 547   and name HB1 ))
   (( segid W   and resid 535   and name HH2 ))
      4.800     4.800     1.200 peak    57 weight  0.10000E+01 volume  0.74065E-03 ppm1      3.172 ppm2      7.110 CV     1
 ASSI {   58}
   (( segid W   and resid 560   and name HD2 ))
   (( segid W   and resid 535   and name HH2 ))
      3.600     2.900     2.400 peak    58 weight  0.10000E+01 volume  0.26982E-03 ppm1      2.670 ppm2      7.106 CV     1
 ASSI {   59}
   (( segid W   and resid 549   and name HB1 ))
   (( segid W   and resid 535   and name HH2 ))
      4.800     4.800     1.200 peak    59 weight  0.10000E+01 volume  0.60523E-03 ppm1      2.069 ppm2      7.115 CV     1
 ASSI {   62}
   (( segid W   and resid 560   and name HB1 ))
   (( segid W   and resid 535   and name HH2 ))
      4.000     3.600     2.000 peak    62 weight  0.10000E+01 volume  0.52322E-03 ppm1      0.868 ppm2      7.110 CV     1
 ASSI {   63}
   (( segid W   and resid 549   and name HB2 ))
   (( segid W   and resid 535   and name HH2 ))
      3.300     2.500     2.500 peak    63 weight  0.10000E+01 volume  0.90136E-03 ppm1      0.581 ppm2      7.117 CV     1
 ASSI {   77}
   (( segid W   and resid 557   and name HE3 ))
   (( segid W   and resid 557   and name HH2 ))
      4.000     3.700     2.000 peak    77 weight  0.10000E+01 volume  0.88456E-03 ppm1      8.245 ppm2      6.987 CV     1
 ASSI {   79}
   (( segid W   and resid 542   and name HD22)) 
   (( segid W   and resid 557   and name HZ3 ))
      4.800     4.800     1.200 peak    79 weight  0.10000E+01 volume  0.23639E-03 ppm1      7.536 ppm2      6.909 CV     1
 ASSI {   80}
   (( segid W   and resid 542   and name HD22)) 
   (( segid W   and resid 557   and name HH2 ))
      3.700     3.100     2.300 peak    80 weight  0.10000E+01 volume  0.48566E-03 ppm1      7.540 ppm2      6.981 CV     1
 ASSI {   82}
   (( segid W   and resid 557   and name HH2 ))
   (( segid W   and resid 557   and name HZ3 ))
      2.300     1.300     1.300 peak    82 weight  0.10000E+01 volume  0.56065E-02 ppm1      6.960 ppm2      6.908 CV     1
 ASSI {   88}
   (( segid W   and resid 546   and name HB1 ))
   (( segid W   and resid 557   and name HZ3 ))
      3.100     2.300     2.300 peak    88 weight  0.10000E+01 volume  0.73031E-03 ppm1      3.186 ppm2      6.901 CV     1
 ASSI {   89}
   (( segid W   and resid 542   and name HB2 ))
   (( segid W   and resid 557   and name HH2 ))
      3.400     2.700     2.600 peak    89 weight  0.10000E+01 volume  0.54090E-03 ppm1      3.179 ppm2      6.983 CV     1
 ASSI {   90}
   (( segid W   and resid 546   and name HB2 ))
   (( segid W   and resid 557   and name HZ3 ))
      5.300     5.300     0.700 peak    90 weight  0.10000E+01 volume  0.41214E-03 ppm1      2.573 ppm2      6.911 CV     1
 ASSI {   91}
   (( segid W   and resid 546   and name HB2 ))
   (( segid W   and resid 557   and name HH2 ))
      5.600     5.600     0.400 peak    91 weight  0.10000E+01 volume  0.32668E-03 ppm1      2.590 ppm2      6.975 CV     1
 ASSI {   92}
   ( segid W   and resid 540   and name HB% )
   (( segid W   and resid 557   and name HH2 ))
      2.600     1.600     1.600 peak    92 weight  0.10000E+01 volume  0.27881E-02 ppm1      1.893 ppm2      6.985 CV     1
 ASSI {   94}
   (( segid W   and resid 544   and name HG1 ))
   (( segid W   and resid 557   and name HZ3 ))
      3.200     2.400     2.400 peak    94 weight  0.10000E+01 volume  0.92031E-03 ppm1      1.514 ppm2      6.906 CV     1
 OR {   94}
   (( segid W   and resid 544   and name HB2 ))
   (( segid W   and resid 557   and name HZ3 ))
 ASSI {   99}
   (( segid W   and resid 547   and name HB1 ))
   (( segid W   and resid 535   and name HZ3 ))
      4.000     3.600     2.000 peak    99 weight  0.10000E+01 volume  0.91327E-03 ppm1      3.172 ppm2      6.849 CV     1
 ASSI {  100}
   (( segid W   and resid 560   and name HD2 ))
   (( segid W   and resid 535   and name HZ3 ))
      4.800     4.800     1.200 peak   100 weight  0.10000E+01 volume  0.35528E-03 ppm1      2.708 ppm2      6.853 CV     1
 ASSI {  109}
   (( segid W   and resid 535   and name HN ))
   (( segid W   and resid 535   and name HE3 ))
      5.400     5.400     0.600 peak   109 weight  0.10000E+01 volume  0.30014E-03 ppm1      7.931 ppm2      7.557 CV     1
 ASSI {  110}
   (( segid W   and resid 535   and name HZ3 ))
   (( segid W   and resid 535   and name HE3 ))
      2.700     1.700     1.700 peak   110 weight  0.10000E+01 volume  0.21806E-02 ppm1      6.843 ppm2      7.553 CV     1
 ASSI {  122}
   (( segid W   and resid 534   and name HN ))
   (( segid W   and resid 550   and name HD2 ))
      5.300     5.300     0.700 peak   122 weight  0.10000E+01 volume  0.26672E-03 ppm1      8.883 ppm2      6.797 CV     1
 ASSI {  123}
   (( segid W   and resid 536   and name HN ))
   (( segid W   and resid 550   and name HD2 ))
      3.800     3.300     2.200 peak   123 weight  0.10000E+01 volume  0.82510E-03 ppm1      9.629 ppm2      6.788 CV     1
 ASSI {  130}
   (( segid W   and resid 550   and name HB2 ))
   (( segid W   and resid 550   and name HD2 ))
      3.400     2.700     2.600 peak   130 weight  0.10000E+01 volume  0.21151E-02 ppm1      3.092 ppm2      6.788 CV     1
 ASSI {  133}
   (( segid W   and resid 548   and name HB ))
   (( segid W   and resid 550   and name HD2 ))
      4.200     3.900     1.800 peak   133 weight  0.10000E+01 volume  0.37331E-03 ppm1      1.464 ppm2      6.790 CV     1
 ASSI {  135}
   (( segid W   and resid 534   and name HB1 ))
   (( segid W   and resid 550   and name HD2 ))
      5.000     5.000     1.000 peak   135 weight  0.10000E+01 volume  0.32772E-03 ppm1      2.411 ppm2      6.787 CV     1
 ASSI {  136}
   (( segid W   and resid 549   and name HB1 ))
   (( segid W   and resid 550   and name HD2 ))
      5.100     5.100     0.900 peak   136 weight  0.10000E+01 volume  0.29659E-03 ppm1      2.076 ppm2      6.787 CV     1
 ASSI {  137}
   ( segid W   and resid 548   and name HG2%) 
   (( segid W   and resid 550   and name HD2 ))
      3.400     2.700     2.600 peak   137 weight  0.10000E+01 volume  0.73501E-03 ppm1      0.160 ppm2      6.788 CV     1
 ASSI {  146}
   (( segid W   and resid 535   and name HH2 ))
   (( segid W   and resid 535   and name HZ2 ))
      2.300     1.300     1.300 peak   146 weight  0.10000E+01 volume  0.10690E-01 ppm1      7.122 ppm2      7.412 CV     1
 ASSI {  147}
   (( segid W   and resid 535   and name HZ3 ))
   (( segid W   and resid 535   and name HZ2 ))
      4.000     3.700     2.000 peak   147 weight  0.10000E+01 volume  0.14099E-02 ppm1      6.845 ppm2      7.412 CV     1
 ASSI {  148}
   (( segid W   and resid 560   and name HG1 ))
   (( segid W   and resid 535   and name HZ2 ))
      5.100     5.100     0.900 peak   148 weight  0.10000E+01 volume  0.30325E-03 ppm1      0.190 ppm2      7.418 CV     1
 ASSI {  149}
   (( segid W   and resid 547   and name HB1 ))
   (( segid W   and resid 535   and name HZ2 ))
      5.300     5.300     0.700 peak   149 weight  0.10000E+01 volume  0.35390E-03 ppm1      3.174 ppm2      7.414 CV     1
 ASSI {  150}
   (( segid W   and resid 549   and name HB1 ))
   (( segid W   and resid 535   and name HZ2 ))
      4.500     4.400     1.500 peak   150 weight  0.10000E+01 volume  0.64603E-03 ppm1      2.065 ppm2      7.413 CV     1
 ASSI {  153}
   (( segid W   and resid 560   and name HB1 ))
   (( segid W   and resid 535   and name HZ2 ))
      3.700     3.100     2.300 peak   153 weight  0.10000E+01 volume  0.55744E-03 ppm1      0.871 ppm2      7.411 CV     1
 ASSI {  155}
   (( segid W   and resid 560   and name HD2 ))
   (( segid W   and resid 535   and name HZ2 ))
      3.600     2.900     2.400 peak   155 weight  0.10000E+01 volume  0.27740E-03 ppm1      2.709 ppm2      7.419 CV     1
 ASSI {  157}
   (( segid W   and resid 557   and name HH2 ))
   (( segid W   and resid 557   and name HZ2 ))
      2.400     1.400     1.400 peak   157 weight  0.10000E+01 volume  0.42907E-02 ppm1      6.979 ppm2      7.147 CV     1
 ASSI {  159}
   (( segid W   and resid 542   and name HD22)) 
   (( segid W   and resid 557   and name HZ2 ))
      3.200     2.400     2.400 peak   159 weight  0.10000E+01 volume  0.71206E-03 ppm1      7.552 ppm2      7.141 CV     1
 ASSI {  163}
   (( segid P   and resid 228   and name HA1 ))
   (( segid W   and resid 557   and name HZ2 ))
      3.900     3.500     2.100 peak   163 weight  0.10000E+01 volume  0.12757E-02 ppm1      3.859 ppm2      7.145 CV     1
 ASSI {  164}
   (( segid P   and resid 229   and name HB2 ))
   (( segid W   and resid 557   and name HZ2 ))
      3.200     2.400     2.400 peak   164 weight  0.10000E+01 volume  0.79726E-03 ppm1      0.726 ppm2      7.152 CV     1
 ASSI {  165}
   (( segid W   and resid 544   and name HG2 ))
   (( segid W   and resid 557   and name HZ2 ))
      4.700     4.700     1.300 peak   165 weight  0.10000E+01 volume  0.37837E-03 ppm1      1.621 ppm2      7.148 CV     1
 ASSI {  167}
   ( segid W   and resid 540   and name HB% )
   (( segid W   and resid 557   and name HZ2 ))
      4.100     3.800     1.900 peak   167 weight  0.10000E+01 volume  0.10849E-02 ppm1      1.888 ppm2      7.147 CV     1
 ASSI {  171}
   (( segid W   and resid 536   and name HB1 ))
   (( segid W   and resid 550   and name HE1 ))
      5.400     5.400     0.600 peak   171 weight  0.10000E+01 volume  0.27717E-03 ppm1      3.880 ppm2      7.556 CV     1
 ASSI {  173}
   ( segid W   and resid 548   and name HG2%) 
   (( segid W   and resid 550   and name HE1 ))
      3.800     3.200     2.200 peak   173 weight  0.10000E+01 volume  0.16722E-02 ppm1      0.163 ppm2      7.565 CV     1
 ASSI {  175}
   (( segid W   and resid 548   and name HB ))
   (( segid W   and resid 550   and name HE1 ))
      5.100     5.100     0.900 peak   175 weight  0.10000E+01 volume  0.39284E-03 ppm1      1.472 ppm2      7.568 CV     1
 ASSI {  185}
   (( segid W   and resid 546   and name HN ))
   ( segid W   and resid 547   and name HD% )
      2.900     2.900     3.100 peak   185 weight  0.10000E+01 volume  0.36022E-02 ppm1      9.370 ppm2      7.034 CV     1
 ASSI {  186}
   (( segid W   and resid 547   and name HN ))
   ( segid W   and resid 547   and name HD% )
      3.100     2.300     2.300 peak   186 weight  0.10000E+01 volume  0.21876E-02 ppm1      9.125 ppm2      7.036 CV     1
 ASSI {  189}
   (( segid W   and resid 538   and name HN ))
   ( segid W   and resid 547   and name HD% )
      4.600     4.600     1.400 peak   189 weight  0.10000E+01 volume  0.46877E-03 ppm1      8.058 ppm2      7.037 CV     1
 ASSI {  190}
   ( segid W   and resid 547   and name HE% )
   ( segid W   and resid 547   and name HD% )
      2.700     1.700     1.700 peak   190 weight  0.10000E+01 volume  0.25099E-02 ppm1      7.295 ppm2      7.087 CV     1
 ASSI {  191}
   (( segid W   and resid 535   and name HE3 ))
   ( segid W   and resid 547   and name HD% )
      3.500     2.800     2.500 peak   191 weight  0.10000E+01 volume  0.46130E-03 ppm1      7.550 ppm2      7.088 CV     1
 ASSI {  194}
   (( segid W   and resid 557   and name HA ))
   ( segid W   and resid 547   and name HD% )
      4.000     3.500     2.000 peak   194 weight  0.10000E+01 volume  0.60203E-03 ppm1      5.474 ppm2      7.090 CV     1
 ASSI {  195}
   (( segid W   and resid 546   and name HA ))
   ( segid W   and resid 547   and name HD% )
      3.200     2.400     2.400 peak   195 weight  0.10000E+01 volume  0.12458E-02 ppm1      5.200 ppm2      7.035 CV     1
 ASSI {  202}
   (( segid W   and resid 547   and name HB1 ))
   ( segid W   and resid 547   and name HD% )
      2.900     1.900     1.900 peak   202 weight  0.10000E+01 volume  0.23426E-02 ppm1      3.182 ppm2      7.034 CV     1
 ASSI {  217}
   (( segid W   and resid 560   and name HG1 ))
   ( segid W   and resid 547   and name HD% )
      3.900     3.500     2.100 peak   217 weight  0.10000E+01 volume  0.52092E-03 ppm1      0.174 ppm2      7.038 CV     1
 ASSI {  226}
   ( segid W   and resid 531   and name HD2%) 
   ( segid W   and resid 547   and name HE% )
      3.300     2.500     2.500 peak   226 weight  0.10000E+01 volume  0.11123E-02 ppm1      0.846 ppm2      7.310 CV     1
 ASSI {  230}
   ( segid W   and resid 546   and name HD% )
   ( segid W   and resid 546   and name HE% )
      2.200     1.200     1.200 peak   230 weight  0.10000E+01 volume  0.69427E-02 ppm1      7.020 ppm2      6.763 CV     1
 OR {  230}
   (( segid W   and resid 546   and name HZ ))
   ( segid W   and resid 546   and name HE% )
 ASSI {  240}
   ( segid W   and resid 540   and name HB% )
   ( segid W   and resid 546   and name HE% )
      2.800     1.900     1.900 peak   240 weight  0.10000E+01 volume  0.16506E-02 ppm1      1.888 ppm2      6.762 CV     1
 ASSI {  242}
   ( segid W   and resid 555   and name HG2%) 
   ( segid W   and resid 546   and name HE% )
      2.900     2.900     3.100 peak   242 weight  0.10000E+01 volume  0.16644E-02 ppm1      1.007 ppm2      6.762 CV     1
 ASSI {  244}
   (( segid P   and resid 230   and name HG2 ))
   ( segid W   and resid 546   and name HE% )
      4.900     4.900     1.100 peak   244 weight  0.10000E+01 volume  0.53815E-03 ppm1      1.518 ppm2      6.769 CV     1
 ASSI {  247}
   (( segid W   and resid 548   and name HG12)) 
   ( segid W   and resid 546   and name HE% )
      2.900     2.900     3.100 peak   247 weight  0.10000E+01 volume  0.10012E-02 ppm1      0.598 ppm2      6.764 CV     1
 ASSI {  248}
   ( segid W   and resid 548   and name HD1%) 
   ( segid W   and resid 546   and name HE% )
      3.500     2.900     2.500 peak   248 weight  0.10000E+01 volume  0.13118E-02 ppm1      0.361 ppm2      6.761 CV     1
 ASSI {  249}
   ( segid W   and resid 546   and name HE% )
   (( segid W   and resid 546   and name HZ ))
      2.500     1.500     1.500 peak   249 weight  0.10000E+01 volume  0.28832E-02 ppm1      6.765 ppm2      6.984 CV     1
 ASSI {  250}
   (( segid W   and resid 540   and name HA ))
   (( segid W   and resid 546   and name HZ ))
      4.900     4.900     1.100 peak   250 weight  0.10000E+01 volume  0.34494E-03 ppm1      4.728 ppm2      6.984 CV     1
 ASSI {  252}
   ( segid W   and resid 540   and name HB% )
   (( segid W   and resid 546   and name HZ ))
      4.800     4.800     1.200 peak   252 weight  0.10000E+01 volume  0.43500E-03 ppm1      1.871 ppm2      6.981 CV     1
 ASSI {  258}
   ( segid W   and resid 548   and name HD1%) 
   (( segid W   and resid 546   and name HZ ))
      4.300     4.200     1.700 peak   258 weight  0.10000E+01 volume  0.57709E-03 ppm1      0.353 ppm2      6.984 CV     1
 ASSI {  259}
   (( segid P   and resid 230   and name HG2 ))
   (( segid W   and resid 546   and name HZ ))
      5.100     5.100     0.900 peak   259 weight  0.10000E+01 volume  0.41983E-03 ppm1      1.516 ppm2      6.988 CV     1
 ASSI {  260}
   (( segid W   and resid 531   and name HA ))
   (( segid W   and resid 535   and name HD1 ))
      5.500     5.500     0.500 peak   260 weight  0.10000E+01 volume  0.30107E-03 ppm1      4.124 ppm2      7.313 CV     1
 ASSI {  261}
   (( segid W   and resid 533   and name HA ))
   (( segid W   and resid 535   and name HD1 ))
      4.500     4.400     1.500 peak   261 weight  0.10000E+01 volume  0.29854E-03 ppm1      4.446 ppm2      7.298 CV     1
 ASSI {  262}
   (( segid W   and resid 536   and name HN ))
   (( segid W   and resid 535   and name HA ))
      2.200     1.200     1.200 peak   262 weight  0.10000E+01 volume  0.80987E-02 ppm1      9.629 ppm2      6.251 CV     1
 ASSI {  268}
   (( segid W   and resid 535   and name HE3 ))
   (( segid W   and resid 535   and name HA ))
      3.100     2.300     2.300 peak   268 weight  0.10000E+01 volume  0.11806E-02 ppm1      7.559 ppm2      6.252 CV     1
 ASSI {  270}
   (( segid W   and resid 550   and name HD2 ))
   (( segid W   and resid 535   and name HA ))
      2.900     2.000     2.000 peak   270 weight  0.10000E+01 volume  0.24866E-02 ppm1      6.794 ppm2      6.253 CV     1
 ASSI {  273}
   (( segid W   and resid 536   and name HB1 ))
   (( segid W   and resid 535   and name HA ))
      4.400     4.300     1.600 peak   273 weight  0.10000E+01 volume  0.36137E-03 ppm1      3.911 ppm2      6.252 CV     1
 ASSI {  274}
   (( segid W   and resid 536   and name HA ))
   (( segid W   and resid 535   and name HA ))
      4.100     3.800     1.900 peak   274 weight  0.10000E+01 volume  0.74042E-03 ppm1      4.940 ppm2      6.239 CV     1
 ASSI {  275}
   (( segid W   and resid 549   and name HA ))
   (( segid W   and resid 535   and name HA ))
      2.600     1.600     1.600 peak   275 weight  0.10000E+01 volume  0.31895E-02 ppm1      3.479 ppm2      6.250 CV     1
 ASSI {  276}
   (( segid W   and resid 535   and name HB1 ))
   (( segid W   and resid 535   and name HA ))
      2.800     1.900     1.900 peak   276 weight  0.10000E+01 volume  0.35789E-02 ppm1      3.238 ppm2      6.251 CV     1
 ASSI {  277}
   (( segid W   and resid 532   and name HD2 ))
   (( segid W   and resid 535   and name HA ))
      4.800     4.800     1.200 peak   277 weight  0.10000E+01 volume  0.29049E-03 ppm1      2.850 ppm2      6.254 CV     1
 ASSI {  278}
   (( segid W   and resid 532   and name HB2 ))
   (( segid W   and resid 535   and name HA ))
      4.900     4.900     1.100 peak   278 weight  0.10000E+01 volume  0.38595E-03 ppm1      1.966 ppm2      6.262 CV     1
 ASSI {  288}
   ( segid P   and resid 229   and name HD1%) 
   (( segid W   and resid 557   and name HA ))
      4.200     3.900     1.800 peak   288 weight  0.10000E+01 volume  0.34322E-03 ppm1      0.210 ppm2      5.452 CV     1
 ASSI {  289}
   (( segid W   and resid 544   and name HG2 ))
   (( segid W   and resid 557   and name HA ))
      4.300     4.200     1.700 peak   289 weight  0.10000E+01 volume  0.68439E-03 ppm1      1.629 ppm2      5.444 CV     1
 ASSI {  293}
   (( segid W   and resid 546   and name HB2 ))
   (( segid W   and resid 557   and name HA ))
      3.400     2.700     2.600 peak   293 weight  0.10000E+01 volume  0.13401E-02 ppm1      2.577 ppm2      5.459 CV     1
 ASSI {  294}
   (( segid W   and resid 547   and name HB2 ))
   (( segid W   and resid 557   and name HA ))
      5.400     5.400     0.600 peak   294 weight  0.10000E+01 volume  0.30325E-03 ppm1      3.345 ppm2      5.457 CV     1
 ASSI {  295}
   (( segid W   and resid 557   and name HB2 ))
   (( segid W   and resid 557   and name HA ))
      3.000     2.000     2.000 peak   295 weight  0.10000E+01 volume  0.33579E-02 ppm1      3.109 ppm2      5.460 CV     1
 ASSI {  296}
   (( segid W   and resid 557   and name HB1 ))
   (( segid W   and resid 557   and name HA ))
      2.400     1.400     1.400 peak   296 weight  0.10000E+01 volume  0.42796E-02 ppm1      3.873 ppm2      5.461 CV     1
 ASSI {  298}
   (( segid W   and resid 556   and name HA ))
   (( segid W   and resid 557   and name HA ))
      4.400     4.200     1.600 peak   298 weight  0.10000E+01 volume  0.52689E-03 ppm1      4.665 ppm2      5.463 CV     1
 ASSI {  299}
   (( segid W   and resid 546   and name HA ))
   (( segid W   and resid 557   and name HA ))
      2.700     1.700     1.700 peak   299 weight  0.10000E+01 volume  0.28039E-02 ppm1      5.204 ppm2      5.459 CV     1
 ASSI {  302}
   (( segid W   and resid 566   and name HN ))
   (( segid W   and resid 557   and name HA ))
      3.700     3.200     2.300 peak   302 weight  0.10000E+01 volume  0.59901E-03 ppm1      8.381 ppm2      5.467 CV     1
 ASSI {  305}
   (( segid W   and resid 557   and name HE3 ))
   (( segid W   and resid 557   and name HA ))
      2.200     1.200     1.200 peak   305 weight  0.10000E+01 volume  0.50285E-02 ppm1      8.236 ppm2      5.460 CV     1
 ASSI {  306}
   (( segid W   and resid 557   and name HD1 ))
   (( segid W   and resid 557   and name HA ))
      4.100     3.900     1.900 peak   306 weight  0.10000E+01 volume  0.10404E-02 ppm1      7.258 ppm2      5.457 CV     1
 ASSI {  307}
   ( segid W   and resid 546   and name HD% )
   (( segid W   and resid 557   and name HA ))
      4.100     3.700     1.900 peak   307 weight  0.10000E+01 volume  0.13631E-02 ppm1      7.070 ppm2      5.460 CV     1
 ASSI {  308}
   (( segid W   and resid 557   and name HZ3 ))
   (( segid W   and resid 557   and name HA ))
      5.000     5.000     1.000 peak   308 weight  0.10000E+01 volume  0.58019E-03 ppm1      6.919 ppm2      5.460 CV     1
 ASSI {  311}
   (( segid W   and resid 549   and name HN ))
   (( segid W   and resid 555   and name HA ))
      2.900     2.000     2.000 peak   311 weight  0.10000E+01 volume  0.22217E-02 ppm1      8.266 ppm2      5.524 CV     1
 ASSI {  312}
   (( segid W   and resid 535   and name HE3 ))
   (( segid W   and resid 555   and name HA ))
      4.700     4.700     1.300 peak   312 weight  0.10000E+01 volume  0.29486E-03 ppm1      7.566 ppm2      5.528 CV     1
 ASSI {  315}
   (( segid W   and resid 554   and name HA ))
   (( segid W   and resid 555   and name HA ))
      4.000     3.700     2.000 peak   315 weight  0.10000E+01 volume  0.69032E-03 ppm1      4.938 ppm2      5.523 CV     1
 ASSI {  316}
   (( segid W   and resid 556   and name HA ))
   (( segid W   and resid 555   and name HA ))
      4.300     4.100     1.700 peak   316 weight  0.10000E+01 volume  0.62627E-03 ppm1      4.671 ppm2      5.514 CV     1
 ASSI {  317}
   (( segid W   and resid 556   and name HB ))
   (( segid W   and resid 555   and name HA ))
      3.800     3.300     2.200 peak   317 weight  0.10000E+01 volume  0.77785E-03 ppm1      4.434 ppm2      5.519 CV     1
 ASSI {  319}
   (( segid W   and resid 547   and name HB2 ))
   (( segid W   and resid 555   and name HA ))
      4.300     4.100     1.700 peak   319 weight  0.10000E+01 volume  0.38641E-03 ppm1      3.355 ppm2      5.520 CV     1
 ASSI {  323}
   ( segid W   and resid 555   and name HG2%) 
   (( segid W   and resid 555   and name HA ))
      2.400     1.400     1.400 peak   323 weight  0.10000E+01 volume  0.58297E-02 ppm1      1.002 ppm2      5.523 CV     1
 ASSI {  327}
   (( segid W   and resid 549   and name HB1 ))
   (( segid W   and resid 555   and name HA ))
      4.700     4.700     1.300 peak   327 weight  0.10000E+01 volume  0.40042E-03 ppm1      2.030 ppm2      5.530 CV     1
 ASSI {  330}
   (( segid W   and resid 546   and name HB1 ))
   (( segid W   and resid 546   and name HA ))
      2.500     1.500     1.500 peak   330 weight  0.10000E+01 volume  0.37982E-02 ppm1      3.219 ppm2      5.205 CV     1
 ASSI {  331}
   (( segid W   and resid 546   and name HB2 ))
   (( segid W   and resid 546   and name HA ))
      2.300     1.300     1.300 peak   331 weight  0.10000E+01 volume  0.56950E-02 ppm1      2.575 ppm2      5.206 CV     1
 ASSI {  335}
   (( segid W   and resid 557   and name HE3 ))
   (( segid W   and resid 546   and name HA ))
      2.900     2.000     2.000 peak   335 weight  0.10000E+01 volume  0.21621E-02 ppm1      8.235 ppm2      5.204 CV     1
 ASSI {  336}
   (( segid W   and resid 546   and name HN ))
   (( segid W   and resid 546   and name HA ))
      2.900     1.900     1.900 peak   336 weight  0.10000E+01 volume  0.20332E-02 ppm1      9.358 ppm2      5.202 CV     1
 ASSI {  337}
   (( segid W   and resid 547   and name HN ))
   (( segid W   and resid 546   and name HA ))
      2.400     1.300     1.300 peak   337 weight  0.10000E+01 volume  0.64237E-02 ppm1      9.123 ppm2      5.205 CV     1
 ASSI {  339}
   (( segid W   and resid 548   and name HN ))
   (( segid W   and resid 537   and name HA ))
      3.200     2.300     2.300 peak   339 weight  0.10000E+01 volume  0.18527E-02 ppm1      9.177 ppm2      5.098 CV     1
 ASSI {  340}
   (( segid W   and resid 537   and name HN ))
   (( segid W   and resid 537   and name HA ))
      2.600     1.600     1.600 peak   340 weight  0.10000E+01 volume  0.27591E-02 ppm1      8.690 ppm2      5.103 CV     1
 ASSI {  342}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 537   and name HA ))
      3.700     3.100     2.300 peak   342 weight  0.10000E+01 volume  0.10848E-02 ppm1      7.100 ppm2      5.103 CV     1
 ASSI {  345}
   (( segid W   and resid 537   and name HG1 ))
   (( segid W   and resid 537   and name HA ))
      2.700     1.700     1.700 peak   345 weight  0.10000E+01 volume  0.15565E-02 ppm1      2.156 ppm2      5.104 CV     1
 ASSI {  346}
   (( segid W   and resid 537   and name HB1 ))
   (( segid W   and resid 537   and name HA ))
      2.700     1.700     1.700 peak   346 weight  0.10000E+01 volume  0.44308E-02 ppm1      1.672 ppm2      5.103 CV     1
 ASSI {  347}
   (( segid W   and resid 538   and name HB1 ))
   (( segid W   and resid 537   and name HA ))
      4.300     4.000     1.700 peak   347 weight  0.10000E+01 volume  0.79500E-03 ppm1      1.327 ppm2      5.105 CV     1
 ASSI {  348}
   ( segid W   and resid 548   and name HD1%) 
   (( segid W   and resid 537   and name HA ))
      3.200     2.400     2.400 peak   348 weight  0.10000E+01 volume  0.18668E-02 ppm1      0.356 ppm2      5.103 CV     1
 ASSI {  349}
   (( segid W   and resid 537   and name HB2 ))
   (( segid W   and resid 537   and name HA ))
      2.600     1.600     1.600 peak   349 weight  0.10000E+01 volume  0.37852E-02 ppm1      1.898 ppm2      5.101 CV     1
 ASSI {  350}
   ( segid W   and resid 531   and name HD2%) 
   (( segid W   and resid 537   and name HA ))
      4.200     4.000     1.800 peak   350 weight  0.10000E+01 volume  0.81749E-03 ppm1      0.825 ppm2      5.099 CV     1
 ASSI {  351}
   (( segid W   and resid 538   and name HA ))
   (( segid W   and resid 537   and name HA ))
      3.700     3.100     2.300 peak   351 weight  0.10000E+01 volume  0.16973E-02 ppm1      4.298 ppm2      5.103 CV     1
 ASSI {  352}
   (( segid W   and resid 529   and name HG1 ))
   (( segid W   and resid 529   and name HA ))
      2.300     1.300     1.300 peak   352 weight  0.10000E+01 volume  0.57642E-02 ppm1      2.269 ppm2      4.484 CV     1
 ASSI {  354}
   (( segid W   and resid 530   and name HD1 ))
   (( segid W   and resid 529   and name HA ))
      1.800     0.900     0.900 peak   354 weight  0.10000E+01 volume  0.16932E-01 ppm1      3.785 ppm2      4.485 CV     1
 ASSI {  355}
   (( segid W   and resid 530   and name HD2 ))
   (( segid W   and resid 529   and name HA ))
      2.200     1.200     1.200 peak   355 weight  0.10000E+01 volume  0.14392E-01 ppm1      3.656 ppm2      4.484 CV     1
 ASSI {  357}
   (( segid W   and resid 539   and name HN ))
   (( segid W   and resid 538   and name HA ))
      2.000     1.000     1.000 peak   357 weight  0.10000E+01 volume  0.14780E-01 ppm1      8.339 ppm2      4.299 CV     1
 ASSI {  358}
   (( segid W   and resid 538   and name HN ))
   (( segid W   and resid 538   and name HA ))
      2.600     1.600     1.600 peak   358 weight  0.10000E+01 volume  0.44541E-02 ppm1      8.067 ppm2      4.299 CV     1
 ASSI {  360}
   (( segid W   and resid 538   and name HG1 ))
   (( segid W   and resid 538   and name HA ))
      2.600     1.600     1.600 peak   360 weight  0.10000E+01 volume  0.58820E-02 ppm1      2.106 ppm2      4.299 CV     1
 OR {  360}
   (( segid W   and resid 538   and name HG2 ))
   (( segid W   and resid 538   and name HA ))
 ASSI {  361}
   (( segid W   and resid 538   and name HB1 ))
   (( segid W   and resid 538   and name HA ))
      2.600     1.600     1.600 peak   361 weight  0.10000E+01 volume  0.56981E-02 ppm1      1.337 ppm2      4.299 CV     1
 ASSI {  362}
   (( segid W   and resid 538   and name HB2 ))
   (( segid W   and resid 538   and name HA ))
      2.400     1.400     1.400 peak   362 weight  0.10000E+01 volume  0.53690E-02 ppm1      1.110 ppm2      4.298 CV     1
 ASSI {  364}
   (( segid W   and resid 537   and name HB1 ))
   (( segid W   and resid 538   and name HA ))
      4.100     3.700     1.900 peak   364 weight  0.10000E+01 volume  0.85230E-03 ppm1      1.669 ppm2      4.295 CV     1
 ASSI {  365}
   (( segid W   and resid 561   and name HG1 ))
   (( segid W   and resid 562   and name HA ))
      4.200     4.000     1.800 peak   365 weight  0.10000E+01 volume  0.84498E-03 ppm1      1.759 ppm2      4.620 CV     1
 OR {  365}
   (( segid W   and resid 561   and name HB1 ))
   (( segid W   and resid 562   and name HA ))
 ASSI {  366}
   (( segid W   and resid 562   and name HB1 ))
   (( segid W   and resid 562   and name HA ))
      2.300     1.200     1.200 peak   366 weight  0.10000E+01 volume  0.95396E-02 ppm1      2.801 ppm2      4.616 CV     1
 ASSI {  367}
   (( segid W   and resid 562   and name HB2 ))
   (( segid W   and resid 562   and name HA ))
      2.600     1.600     1.600 peak   367 weight  0.10000E+01 volume  0.95518E-02 ppm1      2.670 ppm2      4.616 CV     1
 ASSI {  368}
   (( segid W   and resid 561   and name HA ))
   (( segid W   and resid 562   and name HA ))
      3.500     2.900     2.500 peak   368 weight  0.10000E+01 volume  0.11699E-02 ppm1      3.800 ppm2      4.592 CV     1
 ASSI {  372}
   (( segid W   and resid 562   and name HN ))
   (( segid W   and resid 562   and name HA ))
      2.800     1.900     1.900 peak   372 weight  0.10000E+01 volume  0.30310E-02 ppm1      7.163 ppm2      4.618 CV     1
 ASSI {  374}
   (( segid W   and resid 561   and name HN ))
   (( segid W   and resid 562   and name HA ))
      3.900     3.400     2.100 peak   374 weight  0.10000E+01 volume  0.15279E-02 ppm1      8.439 ppm2      4.596 CV     1
 ASSI {  376}
   (( segid W   and resid 542   and name HD22)) 
   (( segid W   and resid 542   and name HA ))
      4.100     3.900     1.900 peak   376 weight  0.10000E+01 volume  0.11426E-02 ppm1      7.537 ppm2      4.498 CV     1
 ASSI {  377}
   (( segid W   and resid 543   and name HN ))
   (( segid W   and resid 542   and name HA ))
      3.100     2.300     2.300 peak   377 weight  0.10000E+01 volume  0.23787E-02 ppm1      8.714 ppm2      4.493 CV     1
 ASSI {  378}
   (( segid W   and resid 542   and name HN ))
   (( segid W   and resid 542   and name HA ))
      2.800     1.900     1.900 peak   378 weight  0.10000E+01 volume  0.34028E-02 ppm1      8.056 ppm2      4.492 CV     1
 ASSI {  382}
   (( segid W   and resid 542   and name HB1 ))
   (( segid W   and resid 542   and name HA ))
      2.200     1.200     1.200 peak   382 weight  0.10000E+01 volume  0.10415E-01 ppm1      2.890 ppm2      4.493 CV     1
 ASSI {  383}
   (( segid W   and resid 542   and name HB2 ))
   (( segid W   and resid 542   and name HA ))
      2.500     1.500     1.500 peak   383 weight  0.10000E+01 volume  0.11158E-01 ppm1      3.219 ppm2      4.493 CV     1
 ASSI {  389}
   (( segid W   and resid 558   and name HA ))
   (( segid W   and resid 565   and name HA ))
      2.100     1.100     1.100 peak   389 weight  0.10000E+01 volume  0.81028E-02 ppm1      3.784 ppm2      4.591 CV     1
 ASSI {  392}
   (( segid W   and resid 558   and name HG11)) 
   (( segid W   and resid 565   and name HA ))
      4.500     4.400     1.500 peak   392 weight  0.10000E+01 volume  0.66439E-03 ppm1      1.554 ppm2      4.591 CV     1
 ASSI {  397}
   (( segid W   and resid 557   and name HN ))
   (( segid W   and resid 556   and name HB ))
      3.900     3.500     2.100 peak   397 weight  0.10000E+01 volume  0.13642E-02 ppm1      8.837 ppm2      4.425 CV     1
 ASSI {  398}
   (( segid W   and resid 558   and name HN ))
   (( segid W   and resid 556   and name HB ))
      4.400     4.300     1.600 peak   398 weight  0.10000E+01 volume  0.73583E-03 ppm1      8.681 ppm2      4.430 CV     1
 ASSI {  403}
   ( segid W   and resid 556   and name HG2%) 
   (( segid W   and resid 556   and name HB ))
      2.200     1.200     1.200 peak   403 weight  0.10000E+01 volume  0.96733E-02 ppm1      1.635 ppm2      4.427 CV     1
 ASSI {  406}
   (( segid W   and resid 544   and name HB2 ))
   (( segid W   and resid 543   and name HA1 ))
      4.600     4.600     1.400 peak   406 weight  0.10000E+01 volume  0.54056E-03 ppm1      1.494 ppm2      4.286 CV     1
 OR {  406}
   (( segid W   and resid 544   and name HG1 ))
   (( segid W   and resid 543   and name HA1 ))
 ASSI {  407}
   (( segid W   and resid 543   and name HA2 ))
   (( segid W   and resid 543   and name HA1 ))
      1.700     0.700     0.700 peak   407 weight  0.10000E+01 volume  0.28305E-01 ppm1      3.542 ppm2      4.290 CV     1
 ASSI {  409}
   (( segid W   and resid 543   and name HN ))
   (( segid W   and resid 543   and name HA1 ))
      2.600     1.600     1.600 peak   409 weight  0.10000E+01 volume  0.83946E-02 ppm1      8.715 ppm2      4.290 CV     1
 ASSI {  410}
   (( segid W   and resid 544   and name HN ))
   (( segid W   and resid 543   and name HA1 ))
      3.100     2.300     2.300 peak   410 weight  0.10000E+01 volume  0.21162E-02 ppm1      8.105 ppm2      4.288 CV     1
 ASSI {  411}
   (( segid W   and resid 543   and name HN ))
   (( segid W   and resid 541   and name HA ))
      3.200     2.300     2.300 peak   411 weight  0.10000E+01 volume  0.15896E-02 ppm1      8.715 ppm2      4.358 CV     1
 ASSI {  413}
   (( segid W   and resid 540   and name HA ))
   (( segid W   and resid 541   and name HA ))
      3.900     3.500     2.100 peak   413 weight  0.10000E+01 volume  0.69497E-03 ppm1      4.755 ppm2      4.361 CV     1
 ASSI {  414}
   (( segid W   and resid 541   and name HD2 ))
   (( segid W   and resid 541   and name HA ))
      3.000     2.100     2.100 peak   414 weight  0.10000E+01 volume  0.32503E-02 ppm1      3.881 ppm2      4.360 CV     1
 ASSI {  415}
   (( segid W   and resid 541   and name HB1 ))
   (( segid W   and resid 541   and name HA ))
      2.100     1.100     1.100 peak   415 weight  0.10000E+01 volume  0.13423E-01 ppm1      2.422 ppm2      4.359 CV     1
 ASSI {  416}
   (( segid W   and resid 541   and name HG1 ))
   (( segid W   and resid 541   and name HA ))
      3.400     2.600     2.600 peak   416 weight  0.10000E+01 volume  0.43902E-02 ppm1      2.131 ppm2      4.358 CV     1
 ASSI {  417}
   (( segid W   and resid 541   and name HG2 ))
   (( segid W   and resid 541   and name HA ))
      3.200     2.400     2.400 peak   417 weight  0.10000E+01 volume  0.56126E-02 ppm1      2.068 ppm2      4.360 CV     1
 ASSI {  418}
   (( segid W   and resid 541   and name HB2 ))
   (( segid W   and resid 541   and name HA ))
      2.600     1.700     1.700 peak   418 weight  0.10000E+01 volume  0.77820E-02 ppm1      1.913 ppm2      4.359 CV     1
 ASSI {  419}
   ( segid W   and resid 539   and name HG1%) 
   (( segid W   and resid 541   and name HA ))
      3.900     3.400     2.100 peak   419 weight  0.10000E+01 volume  0.56296E-03 ppm1      0.964 ppm2      4.361 CV     1
 ASSI {  422}
   (( segid W   and resid 539   and name HN ))
   (( segid W   and resid 545   and name HA ))
      4.300     4.200     1.700 peak   422 weight  0.10000E+01 volume  0.93664E-03 ppm1      8.327 ppm2      4.703 CV     1
 ASSI {  424}
   ( segid W   and resid 546   and name HD% )
   (( segid W   and resid 545   and name HA ))
      3.100     2.200     2.200 peak   424 weight  0.10000E+01 volume  0.18862E-02 ppm1      7.051 ppm2      4.719 CV     1
 ASSI {  425}
   ( segid W   and resid 546   and name HE% )
   (( segid W   and resid 545   and name HA ))
      3.500     2.900     2.500 peak   425 weight  0.10000E+01 volume  0.19044E-02 ppm1      6.751 ppm2      4.721 CV     1
 ASSI {  426}
   (( segid W   and resid 557   and name HZ3 ))
   (( segid W   and resid 545   and name HA ))
      3.300     2.500     2.500 peak   426 weight  0.10000E+01 volume  0.85934E-03 ppm1      6.873 ppm2      4.718 CV     1
 ASSI {  431}
   (( segid W   and resid 539   and name HA ))
   (( segid W   and resid 545   and name HA ))
      2.000     1.000     1.000 peak   431 weight  0.10000E+01 volume  0.82255E-02 ppm1      4.421 ppm2      4.708 CV     1
 ASSI {  434}
   (( segid W   and resid 545   and name HB ))
   (( segid W   and resid 545   and name HA ))
      2.700     1.700     1.700 peak   434 weight  0.10000E+01 volume  0.28707E-02 ppm1      4.039 ppm2      4.709 CV     1
 ASSI {  437}
   (( segid W   and resid 533   and name HB1 ))
   (( segid W   and resid 533   and name HA ))
      2.100     1.100     1.100 peak   437 weight  0.10000E+01 volume  0.10374E-01 ppm1      2.416 ppm2      4.456 CV     1
 ASSI {  438}
   (( segid W   and resid 533   and name HG1 ))
   (( segid W   and resid 533   and name HA ))
      3.000     2.100     2.100 peak   438 weight  0.10000E+01 volume  0.48284E-02 ppm1      2.102 ppm2      4.455 CV     1
 OR {  438}
   (( segid W   and resid 533   and name HG2 ))
   (( segid W   and resid 533   and name HA ))
 ASSI {  439}
   (( segid W   and resid 533   and name HB2 ))
   (( segid W   and resid 533   and name HA ))
      2.900     1.900     1.900 peak   439 weight  0.10000E+01 volume  0.52778E-02 ppm1      1.918 ppm2      4.455 CV     1
 ASSI {  440}
   (( segid W   and resid 534   and name HG1 ))
   (( segid W   and resid 533   and name HA ))
      4.800     4.800     1.200 peak   440 weight  0.10000E+01 volume  0.90804E-03 ppm1      1.643 ppm2      4.455 CV     1
 ASSI {  441}
   (( segid W   and resid 534   and name HG2 ))
   (( segid W   and resid 533   and name HA ))
      3.800     3.300     2.200 peak   441 weight  0.10000E+01 volume  0.77756E-03 ppm1      1.472 ppm2      4.461 CV     1
 ASSI {  442}
   (( segid W   and resid 534   and name HD1 ))
   (( segid W   and resid 533   and name HA ))
      4.600     4.600     1.400 peak   442 weight  0.10000E+01 volume  0.57387E-03 ppm1      3.146 ppm2      4.466 CV     1
 ASSI {  443}
   (( segid W   and resid 533   and name HD2 ))
   (( segid W   and resid 533   and name HA ))
      3.700     3.200     2.300 peak   443 weight  0.10000E+01 volume  0.11334E-02 ppm1      3.614 ppm2      4.454 CV     1
 ASSI {  444}
   (( segid W   and resid 534   and name HA ))
   (( segid W   and resid 533   and name HA ))
      3.600     3.000     2.400 peak   444 weight  0.10000E+01 volume  0.32958E-02 ppm1      4.023 ppm2      4.456 CV     1
 ASSI {  445}
   (( segid W   and resid 533   and name HD1 ))
   (( segid W   and resid 533   and name HA ))
      2.800     1.900     1.900 peak   445 weight  0.10000E+01 volume  0.38616E-02 ppm1      3.880 ppm2      4.435 CV     1
 ASSI {  447}
   (( segid W   and resid 534   and name HN ))
   (( segid W   and resid 533   and name HA ))
      2.100     1.100     1.100 peak   447 weight  0.10000E+01 volume  0.13237E-01 ppm1      8.907 ppm2      4.456 CV     1
 ASSI {  449}
   (( segid W   and resid 545   and name HN ))
   (( segid W   and resid 539   and name HA ))
      4.400     4.400     1.600 peak   449 weight  0.10000E+01 volume  0.70241E-03 ppm1      8.975 ppm2      4.425 CV     1
 ASSI {  451}
   (( segid W   and resid 531   and name HN ))
   (( segid W   and resid 530   and name HA ))
      2.000     1.000     1.000 peak   451 weight  0.10000E+01 volume  0.21565E-01 ppm1      8.553 ppm2      4.440 CV     1
 ASSI {  452}
   (( segid W   and resid 539   and name HN ))
   (( segid W   and resid 539   and name HA ))
      2.500     1.500     1.500 peak   452 weight  0.10000E+01 volume  0.38260E-02 ppm1      8.373 ppm2      4.396 CV     1
 ASSI {  454}
   ( segid W   and resid 546   and name HD% )
   (( segid W   and resid 539   and name HA ))
      3.300     2.500     2.500 peak   454 weight  0.10000E+01 volume  0.21303E-02 ppm1      7.039 ppm2      4.427 CV     1
 ASSI {  455}
   ( segid W   and resid 546   and name HE% )
   (( segid W   and resid 539   and name HA ))
      3.900     3.400     2.100 peak   455 weight  0.10000E+01 volume  0.57927E-03 ppm1      6.763 ppm2      4.420 CV     1
 ASSI {  459}
   (( segid W   and resid 530   and name HD1 ))
   (( segid W   and resid 530   and name HA ))
      3.200     2.400     2.400 peak   459 weight  0.10000E+01 volume  0.20980E-02 ppm1      3.791 ppm2      4.441 CV     1
 ASSI {  460}
   (( segid W   and resid 530   and name HD2 ))
   (( segid W   and resid 530   and name HA ))
      3.700     3.000     2.300 peak   460 weight  0.10000E+01 volume  0.13796E-02 ppm1      3.651 ppm2      4.438 CV     1
 ASSI {  465}
   ( segid W   and resid 539   and name HG2%) 
   (( segid W   and resid 539   and name HA ))
      2.400     1.400     1.400 peak   465 weight  0.10000E+01 volume  0.78250E-02 ppm1      0.880 ppm2      4.421 CV     1
 ASSI {  468}
   (( segid W   and resid 532   and name HG2 ))
   (( segid W   and resid 532   and name HA ))
      3.800     3.200     2.200 peak   468 weight  0.10000E+01 volume  0.15591E-02 ppm1      1.381 ppm2      4.728 CV     1
 ASSI {  469}
   (( segid W   and resid 532   and name HG1 ))
   (( segid W   and resid 532   and name HA ))
      2.900     2.000     2.000 peak   469 weight  0.10000E+01 volume  0.19265E-02 ppm1      1.673 ppm2      4.732 CV     1
 ASSI {  471}
   (( segid W   and resid 533   and name HG1 ))
   (( segid W   and resid 532   and name HA ))
      3.900     3.400     2.100 peak   471 weight  0.10000E+01 volume  0.33499E-02 ppm1      2.108 ppm2      4.732 CV     1
 OR {  471}
   (( segid W   and resid 533   and name HG2 ))
   (( segid W   and resid 532   and name HA ))
 ASSI {  472}
   (( segid W   and resid 532   and name HB2 ))
   (( segid W   and resid 532   and name HA ))
      2.800     1.800     1.800 peak   472 weight  0.10000E+01 volume  0.55345E-02 ppm1      1.938 ppm2      4.729 CV     1
 ASSI {  473}
   (( segid W   and resid 532   and name HB1 ))
   (( segid W   and resid 532   and name HA ))
      2.100     1.100     1.100 peak   473 weight  0.10000E+01 volume  0.95408E-02 ppm1      2.449 ppm2      4.730 CV     1
 ASSI {  474}
   (( segid W   and resid 532   and name HD2 ))
   (( segid W   and resid 532   and name HA ))
      3.600     3.000     2.400 peak   474 weight  0.10000E+01 volume  0.11955E-02 ppm1      2.869 ppm2      4.737 CV     1
 ASSI {  475}
   (( segid W   and resid 533   and name HD2 ))
   (( segid W   and resid 532   and name HA ))
      2.600     1.600     1.600 peak   475 weight  0.10000E+01 volume  0.82307E-02 ppm1      3.626 ppm2      4.729 CV     1
 ASSI {  476}
   (( segid W   and resid 533   and name HD1 ))
   (( segid W   and resid 532   and name HA ))
      2.000     1.000     1.000 peak   476 weight  0.10000E+01 volume  0.13461E-01 ppm1      3.873 ppm2      4.730 CV     1
 ASSI {  479}
   (( segid W   and resid 535   and name HD1 ))
   (( segid W   and resid 532   and name HA ))
      4.300     4.100     1.700 peak   479 weight  0.10000E+01 volume  0.16903E-02 ppm1      7.281 ppm2      4.735 CV     1
 ASSI {  487}
   (( segid W   and resid 558   and name HG12)) 
   (( segid W   and resid 556   and name HA ))
      4.500     4.500     1.500 peak   487 weight  0.10000E+01 volume  0.62877E-03 ppm1      1.224 ppm2      4.651 CV     1
 ASSI {  488}
   ( segid W   and resid 556   and name HG2%) 
   (( segid W   and resid 556   and name HA ))
      3.100     2.300     2.300 peak   488 weight  0.10000E+01 volume  0.32339E-02 ppm1      1.628 ppm2      4.666 CV     1
 ASSI {  491}
   (( segid W   and resid 557   and name HB2 ))
   (( segid W   and resid 556   and name HA ))
      4.500     4.500     1.500 peak   491 weight  0.10000E+01 volume  0.85887E-03 ppm1      3.133 ppm2      4.662 CV     1
 ASSI {  492}
   (( segid W   and resid 557   and name HB1 ))
   (( segid W   and resid 556   and name HA ))
      4.900     4.900     1.100 peak   492 weight  0.10000E+01 volume  0.11338E-02 ppm1      3.868 ppm2      4.671 CV     1
 ASSI {  493}
   (( segid W   and resid 555   and name HB ))
   (( segid W   and resid 556   and name HA ))
      4.000     3.700     2.000 peak   493 weight  0.10000E+01 volume  0.72112E-03 ppm1      4.219 ppm2      4.690 CV     1
 ASSI {  494}
   (( segid W   and resid 556   and name HB ))
   (( segid W   and resid 556   and name HA ))
      2.200     1.200     1.200 peak   494 weight  0.10000E+01 volume  0.77977E-02 ppm1      4.428 ppm2      4.667 CV     1
 ASSI {  497}
   (( segid W   and resid 558   and name HN ))
   (( segid W   and resid 556   and name HA ))
      3.900     3.400     2.100 peak   497 weight  0.10000E+01 volume  0.13568E-02 ppm1      8.680 ppm2      4.663 CV     1
 ASSI {  500}
   (( segid W   and resid 551   and name HN ))
   (( segid W   and resid 552   and name HA ))
      4.400     4.300     1.600 peak   500 weight  0.10000E+01 volume  0.67439E-03 ppm1      8.322 ppm2      4.268 CV     1
 ASSI {  501}
   (( segid W   and resid 553   and name HN ))
   (( segid W   and resid 552   and name HA ))
      3.300     2.400     2.400 peak   501 weight  0.10000E+01 volume  0.19968E-02 ppm1      7.375 ppm2      4.268 CV     1
 ASSI {  502}
   (( segid W   and resid 552   and name HN ))
   (( segid W   and resid 552   and name HA ))
      2.700     1.700     1.700 peak   502 weight  0.10000E+01 volume  0.43473E-02 ppm1      6.991 ppm2      4.269 CV     1
 ASSI {  503}
   (( segid W   and resid 552   and name HB1 ))
   (( segid W   and resid 552   and name HA ))
      2.400     1.400     1.400 peak   503 weight  0.10000E+01 volume  0.10459E-01 ppm1      3.650 ppm2      4.270 CV     1
 ASSI {  504}
   (( segid W   and resid 552   and name HB2 ))
   (( segid W   and resid 552   and name HA ))
      2.500     1.600     1.600 peak   504 weight  0.10000E+01 volume  0.67451E-02 ppm1      3.422 ppm2      4.271 CV     1
 ASSI {  508}
   ( segid W   and resid 548   and name HD1%) 
   (( segid W   and resid 547   and name HA ))
      4.300     4.100     1.700 peak   508 weight  0.10000E+01 volume  0.97808E-03 ppm1      0.351 ppm2      5.141 CV     1
 ASSI {  509}
   ( segid W   and resid 548   and name HG2%) 
   (( segid W   and resid 547   and name HA ))
      4.900     4.900     1.100 peak   509 weight  0.10000E+01 volume  0.78017E-03 ppm1      0.140 ppm2      5.130 CV     1
 ASSI {  512}
   (( segid W   and resid 548   and name HB ))
   (( segid W   and resid 547   and name HA ))
      4.500     4.500     1.500 peak   512 weight  0.10000E+01 volume  0.88125E-03 ppm1      1.458 ppm2      5.138 CV     1
 ASSI {  513}
   (( segid W   and resid 538   and name HB1 ))
   (( segid W   and resid 547   and name HA ))
      4.100     3.700     1.900 peak   513 weight  0.10000E+01 volume  0.82429E-03 ppm1      1.302 ppm2      5.130 CV     1
 ASSI {  516}
   (( segid W   and resid 537   and name HG2 ))
   (( segid W   and resid 547   and name HA ))
      4.200     4.000     1.800 peak   516 weight  0.10000E+01 volume  0.68381E-03 ppm1      2.272 ppm2      5.142 CV     1
 ASSI {  517}
   (( segid W   and resid 537   and name HB2 ))
   (( segid W   and resid 547   and name HA ))
      4.400     4.400     1.600 peak   517 weight  0.10000E+01 volume  0.10234E-02 ppm1      1.901 ppm2      5.140 CV     1
 ASSI {  518}
   (( segid W   and resid 547   and name HB1 ))
   (( segid W   and resid 547   and name HA ))
      2.800     1.900     1.900 peak   518 weight  0.10000E+01 volume  0.27650E-02 ppm1      3.182 ppm2      5.132 CV     1
 ASSI {  519}
   (( segid W   and resid 547   and name HB2 ))
   (( segid W   and resid 547   and name HA ))
      2.600     1.600     1.600 peak   519 weight  0.10000E+01 volume  0.34811E-02 ppm1      3.350 ppm2      5.137 CV     1
 ASSI {  520}
   ( segid W   and resid 547   and name HE% )
   (( segid W   and resid 547   and name HA ))
      3.900     3.400     2.100 peak   520 weight  0.10000E+01 volume  0.11416E-02 ppm1      7.293 ppm2      5.138 CV     1
 ASSI {  521}
   (( segid W   and resid 535   and name HE3 ))
   (( segid W   and resid 547   and name HA ))
      4.100     3.800     1.900 peak   521 weight  0.10000E+01 volume  0.95663E-03 ppm1      7.563 ppm2      5.134 CV     1
 ASSI {  522}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 547   and name HA ))
      2.700     1.800     1.800 peak   522 weight  0.10000E+01 volume  0.30791E-02 ppm1      7.089 ppm2      5.136 CV     1
 ASSI {  523}
   (( segid W   and resid 538   and name HN ))
   (( segid W   and resid 547   and name HA ))
      3.600     2.900     2.400 peak   523 weight  0.10000E+01 volume  0.17635E-02 ppm1      8.066 ppm2      5.136 CV     1
 ASSI {  524}
   (( segid W   and resid 536   and name HN ))
   (( segid W   and resid 547   and name HA ))
      4.000     3.600     2.000 peak   524 weight  0.10000E+01 volume  0.85852E-03 ppm1      9.622 ppm2      5.142 CV     1
 ASSI {  526}
   (( segid W   and resid 545   and name HN ))
   (( segid W   and resid 544   and name HA ))
      2.100     1.100     1.100 peak   526 weight  0.10000E+01 volume  0.13086E-01 ppm1      8.977 ppm2      4.467 CV     1
 ASSI {  527}
   (( segid W   and resid 544   and name HN ))
   (( segid W   and resid 544   and name HA ))
      2.600     1.600     1.600 peak   527 weight  0.10000E+01 volume  0.38577E-02 ppm1      8.110 ppm2      4.466 CV     1
 ASSI {  529}
   ( segid W   and resid 546   and name HD% )
   (( segid W   and resid 544   and name HA ))
      4.100     3.800     1.900 peak   529 weight  0.10000E+01 volume  0.56801E-03 ppm1      7.010 ppm2      4.468 CV     1
 ASSI {  531}
   (( segid W   and resid 544   and name HD2 ))
   (( segid W   and resid 544   and name HA ))
      4.700     4.700     1.300 peak   531 weight  0.10000E+01 volume  0.80005E-03 ppm1      2.431 ppm2      4.484 CV     1
 ASSI {  532}
   (( segid W   and resid 544   and name HB1 ))
   (( segid W   and resid 544   and name HA ))
      2.700     1.700     1.700 peak   532 weight  0.10000E+01 volume  0.39082E-02 ppm1      1.917 ppm2      4.471 CV     1
 ASSI {  533}
   (( segid W   and resid 544   and name HB2 ))
   (( segid W   and resid 544   and name HA ))
      2.400     1.400     1.400 peak   533 weight  0.10000E+01 volume  0.72362E-02 ppm1      1.504 ppm2      4.466 CV     1
 ASSI {  534}
   (( segid W   and resid 544   and name HD1 ))
   (( segid W   and resid 544   and name HA ))
      4.800     4.800     1.200 peak   534 weight  0.10000E+01 volume  0.79901E-03 ppm1      1.295 ppm2      4.466 CV     1
 ASSI {  536}
   ( segid W   and resid 539   and name HG1%) 
   (( segid W   and resid 544   and name HA ))
      3.800     3.300     2.200 peak   536 weight  0.10000E+01 volume  0.72135E-03 ppm1      0.980 ppm2      4.461 CV     1
 ASSI {  544}
   (( segid W   and resid 523   and name HB1 ))
   (( segid W   and resid 523   and name HA ))
      3.000     2.100     2.100 peak   544 weight  0.10000E+01 volume  0.21525E-02 ppm1      1.617 ppm2      4.331 CV     1
 OR {  544}
   (( segid W   and resid 523   and name HG ))
   (( segid W   and resid 523   and name HA ))
 OR {  544}
   (( segid W   and resid 523   and name HB2 ))
   (( segid W   and resid 523   and name HA ))
 ASSI {  549}
   (( segid W   and resid 558   and name HN ))
   (( segid W   and resid 557   and name HB1 ))
      4.700     4.700     1.300 peak   549 weight  0.10000E+01 volume  0.40307E-03 ppm1      8.685 ppm2      3.872 CV     1
 ASSI {  552}
   (( segid W   and resid 566   and name HN ))
   (( segid W   and resid 557   and name HB1 ))
      3.500     2.800     2.500 peak   552 weight  0.10000E+01 volume  0.89863E-03 ppm1      8.435 ppm2      3.876 CV     1
 ASSI {  553}
   (( segid W   and resid 557   and name HE3 ))
   (( segid W   and resid 557   and name HB1 ))
      3.600     2.900     2.400 peak   553 weight  0.10000E+01 volume  0.74838E-03 ppm1      8.237 ppm2      3.879 CV     1
 ASSI {  554}
   (( segid W   and resid 557   and name HB2 ))
   (( segid W   and resid 557   and name HB1 ))
      1.900     0.900     0.900 peak   554 weight  0.10000E+01 volume  0.86050E-02 ppm1      3.099 ppm2      3.875 CV     1
 ASSI {  558}
   ( segid W   and resid 558   and name HD1%) 
   (( segid W   and resid 557   and name HB1 ))
      4.600     4.600     1.400 peak   558 weight  0.10000E+01 volume  0.47038E-03 ppm1      0.835 ppm2      3.871 CV     1
 ASSI {  559}
   (( segid W   and resid 558   and name HG11)) 
   (( segid W   and resid 557   and name HB2 ))
      4.500     4.500     1.500 peak   559 weight  0.10000E+01 volume  0.49657E-03 ppm1      1.574 ppm2      3.104 CV     1
 ASSI {  560}
   (( segid W   and resid 558   and name HG12)) 
   (( segid W   and resid 557   and name HB2 ))
      4.100     3.700     1.900 peak   560 weight  0.10000E+01 volume  0.31221E-03 ppm1      1.248 ppm2      3.103 CV     1
 ASSI {  571}
   (( segid W   and resid 557   and name HE3 ))
   (( segid W   and resid 557   and name HB2 ))
      4.800     4.800     1.200 peak   571 weight  0.10000E+01 volume  0.60203E-03 ppm1      8.246 ppm2      3.105 CV     1
 ASSI {  572}
   (( segid W   and resid 536   and name HN ))
   (( segid W   and resid 535   and name HB2 ))
      3.100     2.200     2.200 peak   572 weight  0.10000E+01 volume  0.90334E-03 ppm1      9.629 ppm2      3.324 CV     1
 ASSI {  577}
   (( segid W   and resid 535   and name HE3 ))
   (( segid W   and resid 535   and name HB2 ))
      2.900     1.900     1.900 peak   577 weight  0.10000E+01 volume  0.12417E-02 ppm1      7.554 ppm2      3.324 CV     1
 ASSI {  581}
   (( segid W   and resid 535   and name HE3 ))
   (( segid W   and resid 535   and name HB1 ))
      4.100     3.800     1.900 peak   581 weight  0.10000E+01 volume  0.13004E-02 ppm1      7.556 ppm2      3.232 CV     1
 ASSI {  583}
   (( segid W   and resid 550   and name HD2 ))
   (( segid W   and resid 535   and name HB1 ))
      5.100     5.100     0.900 peak   583 weight  0.10000E+01 volume  0.31439E-03 ppm1      6.792 ppm2      3.234 CV     1
 ASSI {  584}
   (( segid W   and resid 535   and name HA ))
   (( segid W   and resid 535   and name HB2 ))
      3.100     2.200     2.200 peak   584 weight  0.10000E+01 volume  0.91891E-03 ppm1      6.246 ppm2      3.324 CV     1
 ASSI {  586}
   (( segid W   and resid 536   and name HA ))
   (( segid W   and resid 535   and name HB2 ))
      4.000     3.600     2.000 peak   586 weight  0.10000E+01 volume  0.44878E-03 ppm1      4.929 ppm2      3.299 CV     1
 ASSI {  587}
   (( segid W   and resid 536   and name HA ))
   (( segid W   and resid 535   and name HB1 ))
      4.400     4.400     1.600 peak   587 weight  0.10000E+01 volume  0.43787E-03 ppm1      4.941 ppm2      3.247 CV     1
 ASSI {  588}
   (( segid W   and resid 531   and name HA ))
   (( segid W   and resid 535   and name HB2 ))
      4.200     4.000     1.800 peak   588 weight  0.10000E+01 volume  0.45981E-03 ppm1      4.134 ppm2      3.339 CV     1
 ASSI {  589}
   (( segid W   and resid 531   and name HA ))
   (( segid W   and resid 535   and name HB1 ))
      4.000     3.600     2.000 peak   589 weight  0.10000E+01 volume  0.55056E-03 ppm1      4.139 ppm2      3.234 CV     1
 ASSI {  592}
   (( segid W   and resid 531   and name HB2 ))
   (( segid W   and resid 535   and name HB2 ))
      3.100     2.300     2.300 peak   592 weight  0.10000E+01 volume  0.10234E-02 ppm1      1.770 ppm2      3.326 CV     1
 OR {  592}
   (( segid W   and resid 531   and name HG ))
   (( segid W   and resid 535   and name HB2 ))
 ASSI {  594}
   (( segid W   and resid 531   and name HB2 ))
   (( segid W   and resid 535   and name HB1 ))
      3.100     2.200     2.200 peak   594 weight  0.10000E+01 volume  0.10804E-02 ppm1      1.771 ppm2      3.231 CV     1
 ASSI {  595}
   (( segid W   and resid 531   and name HB1 ))
   (( segid W   and resid 535   and name HB1 ))
      3.500     2.800     2.500 peak   595 weight  0.10000E+01 volume  0.15260E-02 ppm1      1.465 ppm2      3.230 CV     1
 ASSI {  600}
   (( segid W   and resid 560   and name HG1 ))
   (( segid W   and resid 535   and name HB1 ))
      4.000     3.600     2.000 peak   600 weight  0.10000E+01 volume  0.45188E-03 ppm1      0.173 ppm2      3.232 CV     1
 ASSI {  603}
   (( segid W   and resid 561   and name HN ))
   (( segid W   and resid 561   and name HA ))
      2.600     1.600     1.600 peak   603 weight  0.10000E+01 volume  0.38931E-02 ppm1      8.477 ppm2      3.848 CV     1
 ASSI {  604}
   (( segid W   and resid 562   and name HN ))
   (( segid W   and resid 561   and name HA ))
      3.100     2.200     2.200 peak   604 weight  0.10000E+01 volume  0.19099E-02 ppm1      7.164 ppm2      3.848 CV     1
 ASSI {  605}
   (( segid W   and resid 560   and name HG2 ))
   (( segid W   and resid 561   and name HA ))
      5.300     5.300     0.700 peak   605 weight  0.10000E+01 volume  0.53367E-03 ppm1      0.593 ppm2      3.855 CV     1
 ASSI {  606}
   (( segid W   and resid 561   and name HG2 ))
   (( segid W   and resid 561   and name HA ))
      3.100     2.200     2.200 peak   606 weight  0.10000E+01 volume  0.31216E-02 ppm1      1.149 ppm2      3.849 CV     1
 ASSI {  607}
   (( segid W   and resid 560   and name HB1 ))
   (( segid W   and resid 561   and name HA ))
      4.500     4.500     1.500 peak   607 weight  0.10000E+01 volume  0.10793E-02 ppm1      0.868 ppm2      3.847 CV     1
 ASSI {  608}
   (( segid W   and resid 561   and name HB1 ))
   (( segid W   and resid 561   and name HA ))
      2.200     1.200     1.200 peak   608 weight  0.10000E+01 volume  0.88973E-02 ppm1      1.733 ppm2      3.851 CV     1
 OR {  608}
   (( segid W   and resid 561   and name HG1 ))
   (( segid W   and resid 561   and name HA ))
 ASSI {  609}
   (( segid W   and resid 561   and name HB2 ))
   (( segid W   and resid 561   and name HA ))
      2.800     1.800     1.800 peak   609 weight  0.10000E+01 volume  0.37789E-02 ppm1      1.561 ppm2      3.849 CV     1
 ASSI {  611}
   (( segid W   and resid 529   and name HG1 ))
   (( segid W   and resid 561   and name HA ))
      5.500     5.500     0.500 peak   611 weight  0.10000E+01 volume  0.30175E-03 ppm1      2.241 ppm2      3.856 CV     1
 ASSI {  612}
   (( segid W   and resid 532   and name HD1 ))
   (( segid W   and resid 561   and name HA ))
      4.000     3.600     2.000 peak   612 weight  0.10000E+01 volume  0.51070E-03 ppm1      3.297 ppm2      3.850 CV     1
 ASSI {  615}
   (( segid W   and resid 531   and name HA ))
   (( segid W   and resid 561   and name HA ))
      5.400     5.400     0.600 peak   615 weight  0.10000E+01 volume  0.36275E-03 ppm1      4.148 ppm2      3.846 CV     1
 ASSI {  616}
   (( segid W   and resid 534   and name HN ))
   (( segid W   and resid 534   and name HA ))
      2.100     1.100     1.100 peak   616 weight  0.10000E+01 volume  0.86840E-02 ppm1      8.907 ppm2      4.021 CV     1
 ASSI {  621}
   (( segid W   and resid 535   and name HA ))
   (( segid W   and resid 534   and name HA ))
      4.100     3.700     1.900 peak   621 weight  0.10000E+01 volume  0.45407E-03 ppm1      6.246 ppm2      4.022 CV     1
 ASSI {  622}
   (( segid W   and resid 550   and name HD2 ))
   (( segid W   and resid 534   and name HA ))
      3.600     3.000     2.400 peak   622 weight  0.10000E+01 volume  0.11297E-02 ppm1      6.791 ppm2      4.021 CV     1
 ASSI {  625}
   (( segid W   and resid 534   and name HD1 ))
   (( segid W   and resid 534   and name HA ))
      2.400     1.400     1.400 peak   625 weight  0.10000E+01 volume  0.27876E-02 ppm1      3.165 ppm2      4.021 CV     1
 ASSI {  626}
   (( segid W   and resid 534   and name HB1 ))
   (( segid W   and resid 534   and name HA ))
      2.400     1.400     1.400 peak   626 weight  0.10000E+01 volume  0.36598E-02 ppm1      2.393 ppm2      4.021 CV     1
 ASSI {  627}
   (( segid W   and resid 534   and name HB2 ))
   (( segid W   and resid 534   and name HA ))
      2.800     1.800     1.800 peak   627 weight  0.10000E+01 volume  0.46018E-02 ppm1      2.032 ppm2      4.021 CV     1
 ASSI {  628}
   (( segid W   and resid 534   and name HG1 ))
   (( segid W   and resid 534   and name HA ))
      3.600     3.000     2.400 peak   628 weight  0.10000E+01 volume  0.23885E-02 ppm1      1.651 ppm2      4.020 CV     1
 ASSI {  629}
   (( segid W   and resid 534   and name HG2 ))
   (( segid W   and resid 534   and name HA ))
      2.800     1.900     1.900 peak   629 weight  0.10000E+01 volume  0.32901E-02 ppm1      1.476 ppm2      4.020 CV     1
 ASSI {  632}
   (( segid W   and resid 557   and name HN ))
   (( segid W   and resid 558   and name HA ))
      5.000     5.000     1.000 peak   632 weight  0.10000E+01 volume  0.33886E-03 ppm1      8.829 ppm2      3.797 CV     1
 ASSI {  638}
   (( segid W   and resid 557   and name HA ))
   (( segid W   and resid 558   and name HA ))
      4.200     3.900     1.800 peak   638 weight  0.10000E+01 volume  0.36941E-03 ppm1      5.431 ppm2      3.795 CV     1
 ASSI {  642}
   (( segid W   and resid 559   and name HA ))
   (( segid W   and resid 558   and name HA ))
      4.100     3.800     1.900 peak   642 weight  0.10000E+01 volume  0.62603E-03 ppm1      2.326 ppm2      3.778 CV     1
 ASSI {  645}
   (( segid W   and resid 558   and name HB ))
   (( segid W   and resid 558   and name HA ))
      3.400     2.600     2.600 peak   645 weight  0.10000E+01 volume  0.10643E-02 ppm1      1.921 ppm2      3.805 CV     1
 ASSI {  646}
   (( segid W   and resid 559   and name HB2 ))
   (( segid W   and resid 558   and name HA ))
      4.000     3.600     2.000 peak   646 weight  0.10000E+01 volume  0.14216E-02 ppm1      2.130 ppm2      3.784 CV     1
 ASSI {  650}
   (( segid W   and resid 558   and name HG11)) 
   (( segid W   and resid 558   and name HA ))
      3.600     2.900     2.400 peak   650 weight  0.10000E+01 volume  0.15275E-02 ppm1      1.567 ppm2      3.785 CV     1
 ASSI {  652}
   (( segid W   and resid 558   and name HG12)) 
   (( segid W   and resid 558   and name HA ))
      3.000     2.100     2.100 peak   652 weight  0.10000E+01 volume  0.18526E-02 ppm1      1.246 ppm2      3.784 CV     1
 ASSI {  658}
   (( segid W   and resid 542   and name HB1 ))
   (( segid W   and resid 542   and name HB2 ))
      1.600     0.700     0.700 peak   658 weight  0.10000E+01 volume  0.14017E-01 ppm1      2.890 ppm2      3.217 CV     1
 ASSI {  659}
   (( segid W   and resid 543   and name HA1 ))
   (( segid W   and resid 542   and name HB2 ))
      4.600     4.600     1.400 peak   659 weight  0.10000E+01 volume  0.31979E-03 ppm1      4.302 ppm2      3.219 CV     1
 ASSI {  660}
   (( segid P   and resid 228   and name HA2 ))
   (( segid W   and resid 542   and name HB2 ))
      5.300     5.300     0.700 peak   660 weight  0.10000E+01 volume  0.25328E-03 ppm1      4.113 ppm2      3.218 CV     1
 ASSI {  661}
   (( segid P   and resid 228   and name HA1 ))
   (( segid W   and resid 542   and name HB2 ))
      6.000     6.000     0.000 peak   661 weight  0.10000E+01 volume  0.37113E-03 ppm1      3.861 ppm2      3.215 CV     1
 ASSI {  666}
   (( segid W   and resid 542   and name HD22)) 
   (( segid W   and resid 542   and name HB2 ))
      2.500     1.500     1.500 peak   666 weight  0.10000E+01 volume  0.23450E-02 ppm1      7.545 ppm2      3.218 CV     1
 ASSI {  668}
   (( segid W   and resid 544   and name HG1 ))
   (( segid W   and resid 542   and name HB1 ))
      5.200     5.200     0.800 peak   668 weight  0.10000E+01 volume  0.29291E-03 ppm1      1.484 ppm2      2.889 CV     1
 OR {  668}
   (( segid W   and resid 544   and name HB2 ))
   (( segid W   and resid 542   and name HB1 ))
 ASSI {  669}
   (( segid W   and resid 544   and name HG2 ))
   (( segid W   and resid 542   and name HB1 ))
      6.000     6.000     0.000 peak   669 weight  0.10000E+01 volume  0.28268E-03 ppm1      1.632 ppm2      2.903 CV     1
 ASSI {  675}
   (( segid P   and resid 228   and name HA1 ))
   (( segid W   and resid 542   and name HB1 ))
      5.300     5.300     0.700 peak   675 weight  0.10000E+01 volume  0.33691E-03 ppm1      3.869 ppm2      2.868 CV     1
 ASSI {  676}
   (( segid P   and resid 228   and name HA2 ))
   (( segid W   and resid 542   and name HB1 ))
      3.600     3.000     2.400 peak   676 weight  0.10000E+01 volume  0.25351E-03 ppm1      4.126 ppm2      2.875 CV     1
 ASSI {  679}
   (( segid W   and resid 557   and name HZ2 ))
   (( segid W   and resid 542   and name HB2 ))
      4.800     4.800     1.200 peak   679 weight  0.10000E+01 volume  0.23950E-03 ppm1      7.121 ppm2      3.203 CV     1
 ASSI {  683}
   (( segid W   and resid 542   and name HD22)) 
   (( segid W   and resid 542   and name HB1 ))
      2.900     2.000     2.000 peak   683 weight  0.10000E+01 volume  0.22309E-02 ppm1      7.546 ppm2      2.891 CV     1
 ASSI {  689}
   (( segid W   and resid 562   and name HN ))
   (( segid W   and resid 560   and name HA ))
      3.600     3.000     2.400 peak   689 weight  0.10000E+01 volume  0.81121E-03 ppm1      7.141 ppm2      3.944 CV     1
 ASSI {  692}
   (( segid W   and resid 562   and name HA ))
   (( segid W   and resid 560   and name HA ))
      4.700     4.700     1.300 peak   692 weight  0.10000E+01 volume  0.25661E-03 ppm1      4.595 ppm2      3.964 CV     1
 ASSI {  694}
   (( segid W   and resid 560   and name HD2 ))
   (( segid W   and resid 560   and name HA ))
      3.700     3.200     2.300 peak   694 weight  0.10000E+01 volume  0.12461E-02 ppm1      2.701 ppm2      3.945 CV     1
 ASSI {  695}
   (( segid W   and resid 559   and name HA ))
   (( segid W   and resid 560   and name HA ))
      4.200     3.900     1.800 peak   695 weight  0.10000E+01 volume  0.57582E-03 ppm1      2.318 ppm2      3.942 CV     1
 ASSI {  697}
   (( segid W   and resid 532   and name HG1 ))
   (( segid W   and resid 560   and name HA ))
      4.900     4.900     1.100 peak   697 weight  0.10000E+01 volume  0.74077E-03 ppm1      1.672 ppm2      3.952 CV     1
 ASSI {  698}
   (( segid W   and resid 532   and name HG2 ))
   (( segid W   and resid 560   and name HA ))
      4.800     4.800     1.200 peak   698 weight  0.10000E+01 volume  0.57261E-03 ppm1      1.383 ppm2      3.949 CV     1
 ASSI {  699}
   (( segid W   and resid 561   and name HG2 ))
   (( segid W   and resid 560   and name HA ))
      5.100     5.100     0.900 peak   699 weight  0.10000E+01 volume  0.28694E-03 ppm1      1.147 ppm2      3.950 CV     1
 ASSI {  700}
   (( segid W   and resid 560   and name HB1 ))
   (( segid W   and resid 560   and name HA ))
      2.300     1.300     1.300 peak   700 weight  0.10000E+01 volume  0.71682E-02 ppm1      0.876 ppm2      3.944 CV     1
 ASSI {  701}
   (( segid W   and resid 560   and name HB2 ))
   (( segid W   and resid 560   and name HA ))
      2.500     1.500     1.500 peak   701 weight  0.10000E+01 volume  0.77070E-02 ppm1      0.690 ppm2      3.942 CV     1
 ASSI {  702}
   (( segid W   and resid 560   and name HG1 ))
   (( segid W   and resid 560   and name HA ))
      3.600     2.900     2.400 peak   702 weight  0.10000E+01 volume  0.21587E-02 ppm1      0.170 ppm2      3.941 CV     1
 ASSI {  706}
   (( segid W   and resid 551   and name HN ))
   (( segid W   and resid 552   and name HB2 ))
      4.700     4.700     1.300 peak   706 weight  0.10000E+01 volume  0.44568E-03 ppm1      8.312 ppm2      3.421 CV     1
 ASSI {  711}
   (( segid W   and resid 552   and name HB2 ))
   (( segid W   and resid 552   and name HB1 ))
      1.600     0.700     0.700 peak   711 weight  0.10000E+01 volume  0.20032E-01 ppm1      3.419 ppm2      3.646 CV     1
 ASSI {  713}
   (( segid W   and resid 554   and name HD1 ))
   (( segid W   and resid 552   and name HB2 ))
      4.200     3.900     1.800 peak   713 weight  0.10000E+01 volume  0.10871E-02 ppm1      3.145 ppm2      3.419 CV     1
 ASSI {  715}
   (( segid W   and resid 549   and name HB1 ))
   (( segid W   and resid 552   and name HB1 ))
      4.000     3.600     2.000 peak   715 weight  0.10000E+01 volume  0.44247E-03 ppm1      2.049 ppm2      3.646 CV     1
 ASSI {  716}
   (( segid W   and resid 554   and name HB2 ))
   (( segid W   and resid 552   and name HB1 ))
      4.500     4.400     1.500 peak   716 weight  0.10000E+01 volume  0.83359E-03 ppm1      1.623 ppm2      3.644 CV     1
 ASSI {  717}
   (( segid W   and resid 554   and name HG1 ))
   (( segid W   and resid 552   and name HB1 ))
      3.200     2.300     2.300 peak   717 weight  0.10000E+01 volume  0.28275E-02 ppm1      1.390 ppm2      3.647 CV     1
 ASSI {  718}
   (( segid W   and resid 549   and name HB2 ))
   (( segid W   and resid 552   and name HB1 ))
      5.300     5.300     0.700 peak   718 weight  0.10000E+01 volume  0.26626E-03 ppm1      0.615 ppm2      3.657 CV     1
 ASSI {  719}
   (( segid W   and resid 553   and name HB1 ))
   (( segid W   and resid 552   and name HB1 ))
      4.100     3.800     1.900 peak   719 weight  0.10000E+01 volume  0.32622E-03 ppm1      0.854 ppm2      3.655 CV     1
 ASSI {  720}
   (( segid W   and resid 549   and name HB2 ))
   (( segid W   and resid 552   and name HB2 ))
      4.600     4.600     1.400 peak   720 weight  0.10000E+01 volume  0.46544E-03 ppm1      0.602 ppm2      3.427 CV     1
 ASSI {  721}
   (( segid W   and resid 549   and name HB1 ))
   (( segid W   and resid 552   and name HB2 ))
      3.600     2.900     2.400 peak   721 weight  0.10000E+01 volume  0.79569E-03 ppm1      2.066 ppm2      3.417 CV     1
 ASSI {  726}
   (( segid W   and resid 525   and name HA ))
   (( segid W   and resid 525   and name HB1 ))
      2.800     1.800     1.800 peak   726 weight  0.10000E+01 volume  0.43501E-02 ppm1      4.433 ppm2      3.845 CV     1
 ASSI {  729}
   (( segid W   and resid 545   and name HN ))
   (( segid W   and resid 566   and name HB1 ))
      3.500     2.800     2.500 peak   729 weight  0.10000E+01 volume  0.75332E-03 ppm1      8.978 ppm2      4.080 CV     1
 ASSI {  730}
   (( segid W   and resid 566   and name HN ))
   (( segid W   and resid 566   and name HB1 ))
      2.800     1.900     1.900 peak   730 weight  0.10000E+01 volume  0.42658E-02 ppm1      8.430 ppm2      4.085 CV     1
 ASSI {  733}
   (( segid W   and resid 546   and name HA ))
   (( segid W   and resid 566   and name HB1 ))
      4.000     3.600     2.000 peak   733 weight  0.10000E+01 volume  0.30199E-03 ppm1      5.238 ppm2      4.070 CV     1
 ASSI {  734}
   (( segid W   and resid 557   and name HA ))
   (( segid W   and resid 566   and name HB1 ))
      4.300     4.100     1.700 peak   734 weight  0.10000E+01 volume  0.34104E-03 ppm1      5.466 ppm2      4.088 CV     1
 ASSI {  736}
   (( segid W   and resid 565   and name HA ))
   (( segid W   and resid 566   and name HB1 ))
      4.900     4.900     1.100 peak   736 weight  0.10000E+01 volume  0.50323E-03 ppm1      4.603 ppm2      4.085 CV     1
 ASSI {  745}
   (( segid W   and resid 559   and name HA ))
   (( segid W   and resid 559   and name HB1 ))
      2.700     1.700     1.700 peak   745 weight  0.10000E+01 volume  0.22885E-02 ppm1      2.329 ppm2      3.091 CV     1
 ASSI {  748}
   (( segid W   and resid 558   and name HA ))
   (( segid W   and resid 559   and name HB1 ))
      4.000     3.600     2.000 peak   748 weight  0.10000E+01 volume  0.11696E-02 ppm1      3.786 ppm2      3.092 CV     1
 ASSI {  752}
   ( segid W   and resid 547   and name HE% )
   (( segid W   and resid 559   and name HB1 ))
      3.000     2.100     2.100 peak   752 weight  0.10000E+01 volume  0.12898E-02 ppm1      7.307 ppm2      3.086 CV     1
 ASSI {  762}
   (( segid P   and resid 229   and name HG ))
   (( segid W   and resid 546   and name HB1 ))
      5.100     5.100     0.900 peak   762 weight  0.10000E+01 volume  0.33759E-03 ppm1      0.648 ppm2      3.185 CV     1
 ASSI {  768}
   (( segid W   and resid 546   and name HB2 ))
   (( segid W   and resid 546   and name HB1 ))
      1.900     0.900     0.900 peak   768 weight  0.10000E+01 volume  0.50243E-02 ppm1      2.576 ppm2      3.183 CV     1
 ASSI {  769}
   (( segid W   and resid 560   and name HD2 ))
   (( segid W   and resid 547   and name HB2 ))
      3.700     3.100     2.300 peak   769 weight  0.10000E+01 volume  0.67346E-03 ppm1      2.699 ppm2      3.349 CV     1
 ASSI {  770}
   (( segid W   and resid 560   and name HD1 ))
   (( segid W   and resid 547   and name HB2 ))
      3.500     2.800     2.500 peak   770 weight  0.10000E+01 volume  0.63202E-03 ppm1      2.884 ppm2      3.357 CV     1
 ASSI {  771}
   (( segid W   and resid 560   and name HD1 ))
   (( segid W   and resid 547   and name HB1 ))
      4.000     3.500     2.000 peak   771 weight  0.10000E+01 volume  0.48462E-03 ppm1      2.863 ppm2      3.175 CV     1
 ASSI {  772}
   (( segid W   and resid 547   and name HB1 ))
   (( segid W   and resid 547   and name HB2 ))
      1.900     0.900     0.900 peak   772 weight  0.10000E+01 volume  0.59337E-02 ppm1      3.174 ppm2      3.350 CV     1
 ASSI {  774}
   (( segid W   and resid 555   and name HB ))
   (( segid W   and resid 546   and name HB1 ))
      5.200     5.200     0.800 peak   774 weight  0.10000E+01 volume  0.35735E-03 ppm1      4.177 ppm2      3.198 CV     1
 ASSI {  775}
   (( segid W   and resid 557   and name HB1 ))
   (( segid W   and resid 546   and name HB1 ))
      5.200     5.200     0.800 peak   775 weight  0.10000E+01 volume  0.28165E-03 ppm1      3.841 ppm2      3.201 CV     1
 ASSI {  776}
   (( segid W   and resid 556   and name HB ))
   (( segid W   and resid 547   and name HB1 ))
      5.400     5.400     0.600 peak   776 weight  0.10000E+01 volume  0.31267E-03 ppm1      4.421 ppm2      3.203 CV     1
 ASSI {  780}
   (( segid W   and resid 557   and name HA ))
   (( segid W   and resid 546   and name HB1 ))
      3.600     2.900     2.400 peak   780 weight  0.10000E+01 volume  0.93490E-03 ppm1      5.466 ppm2      3.185 CV     1
 ASSI {  782}
   (( segid W   and resid 535   and name HZ3 ))
   (( segid W   and resid 547   and name HB2 ))
      2.800     1.900     1.900 peak   782 weight  0.10000E+01 volume  0.14293E-02 ppm1      6.842 ppm2      3.351 CV     1
 ASSI {  783}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 547   and name HB2 ))
      2.500     1.500     1.500 peak   783 weight  0.10000E+01 volume  0.34491E-02 ppm1      7.090 ppm2      3.349 CV     1
 ASSI {  786}
   ( segid W   and resid 547   and name HE% )
   (( segid W   and resid 547   and name HB2 ))
      4.600     4.600     1.400 peak   786 weight  0.10000E+01 volume  0.71711E-03 ppm1      7.306 ppm2      3.353 CV     1
 ASSI {  787}
   ( segid W   and resid 547   and name HE% )
   (( segid W   and resid 547   and name HB1 ))
      4.600     4.600     1.400 peak   787 weight  0.10000E+01 volume  0.64626E-03 ppm1      7.315 ppm2      3.165 CV     1
 ASSI {  788}
   (( segid W   and resid 535   and name HE3 ))
   (( segid W   and resid 547   and name HB2 ))
      2.400     1.400     1.400 peak   788 weight  0.10000E+01 volume  0.19385E-02 ppm1      7.557 ppm2      3.345 CV     1
 ASSI {  789}
   (( segid W   and resid 535   and name HE3 ))
   (( segid W   and resid 547   and name HB1 ))
      4.400     4.400     1.600 peak   789 weight  0.10000E+01 volume  0.14145E-02 ppm1      7.555 ppm2      3.174 CV     1
 ASSI {  791}
   (( segid W   and resid 557   and name HE3 ))
   (( segid W   and resid 546   and name HB1 ))
      3.000     2.100     2.100 peak   791 weight  0.10000E+01 volume  0.10868E-02 ppm1      8.242 ppm2      3.182 CV     1
 ASSI {  795}
   (( segid W   and resid 546   and name HN ))
   (( segid W   and resid 546   and name HB1 ))
      3.500     2.900     2.500 peak   795 weight  0.10000E+01 volume  0.66771E-03 ppm1      9.361 ppm2      3.188 CV     1
 ASSI {  796}
   ( segid P   and resid 229   and name HD2%) 
   (( segid W   and resid 546   and name HB1 ))
      4.700     4.700     1.300 peak   796 weight  0.10000E+01 volume  0.74641E-03 ppm1     -0.901 ppm2      3.186 CV     1
 ASSI {  797}
   (( segid W   and resid 536   and name HN ))
   (( segid W   and resid 536   and name HB2 ))
      3.700     3.100     2.300 peak   797 weight  0.10000E+01 volume  0.11544E-02 ppm1      9.630 ppm2      4.030 CV     1
 ASSI {  798}
   (( segid W   and resid 536   and name HN ))
   (( segid W   and resid 536   and name HB1 ))
      2.900     2.000     2.000 peak   798 weight  0.10000E+01 volume  0.11892E-02 ppm1      9.628 ppm2      3.907 CV     1
 ASSI {  800}
   (( segid W   and resid 548   and name HN ))
   (( segid W   and resid 536   and name HB1 ))
      4.000     3.500     2.000 peak   800 weight  0.10000E+01 volume  0.39824E-03 ppm1      9.173 ppm2      3.899 CV     1
 ASSI {  802}
   (( segid W   and resid 537   and name HN ))
   (( segid W   and resid 536   and name HB1 ))
      3.200     2.300     2.300 peak   802 weight  0.10000E+01 volume  0.51843E-02 ppm1      8.694 ppm2      3.906 CV     1
 ASSI {  804}
   (( segid W   and resid 549   and name HN ))
   (( segid W   and resid 536   and name HB2 ))
      5.700     5.700     0.300 peak   804 weight  0.10000E+01 volume  0.28579E-03 ppm1      8.300 ppm2      4.029 CV     1
 ASSI {  809}
   (( segid W   and resid 535   and name HA ))
   (( segid W   and resid 536   and name HB2 ))
      5.300     5.300     0.700 peak   809 weight  0.10000E+01 volume  0.33839E-03 ppm1      6.245 ppm2      4.023 CV     1
 ASSI {  812}
   (( segid W   and resid 536   and name HA ))
   (( segid W   and resid 536   and name HB2 ))
      2.300     1.300     1.300 peak   812 weight  0.10000E+01 volume  0.61110E-02 ppm1      4.949 ppm2      4.029 CV     1
 ASSI {  814}
   (( segid W   and resid 536   and name HA ))
   (( segid W   and resid 536   and name HB1 ))
      2.500     1.500     1.500 peak   814 weight  0.10000E+01 volume  0.53362E-02 ppm1      4.949 ppm2      3.905 CV     1
 ASSI {  815}
   (( segid W   and resid 536   and name HB1 ))
   (( segid W   and resid 536   and name HB2 ))
      1.500     0.600     0.700 peak   815 weight  0.10000E+01 volume  0.16869E-01 ppm1      3.911 ppm2      4.027 CV     1
 ASSI {  818}
   (( segid W   and resid 537   and name HB2 ))
   (( segid W   and resid 536   and name HB2 ))
      5.800     5.800     0.200 peak   818 weight  0.10000E+01 volume  0.32140E-03 ppm1      1.884 ppm2      4.040 CV     1
 ASSI {  820}
   (( segid W   and resid 537   and name HB1 ))
   (( segid W   and resid 536   and name HB1 ))
      5.600     5.600     0.400 peak   820 weight  0.10000E+01 volume  0.33116E-03 ppm1      1.676 ppm2      3.900 CV     1
 ASSI {  821}
   (( segid W   and resid 548   and name HB ))
   (( segid W   and resid 536   and name HB2 ))
      3.500     2.800     2.500 peak   821 weight  0.10000E+01 volume  0.20139E-02 ppm1      1.460 ppm2      4.030 CV     1
 ASSI {  822}
   (( segid W   and resid 548   and name HB ))
   (( segid W   and resid 536   and name HB1 ))
      2.300     1.300     1.300 peak   822 weight  0.10000E+01 volume  0.20540E-02 ppm1      1.455 ppm2      3.903 CV     1
 ASSI {  825}
   (( segid W   and resid 548   and name HG12)) 
   (( segid W   and resid 536   and name HB2 ))
      5.400     5.400     0.600 peak   825 weight  0.10000E+01 volume  0.32346E-03 ppm1      0.605 ppm2      4.041 CV     1
 ASSI {  826}
   ( segid W   and resid 548   and name HD1%) 
   (( segid W   and resid 536   and name HB2 ))
      3.100     2.300     2.300 peak   826 weight  0.10000E+01 volume  0.16968E-02 ppm1      0.358 ppm2      4.028 CV     1
 ASSI {  828}
   (( segid W   and resid 548   and name HG12)) 
   (( segid W   and resid 536   and name HB1 ))
      5.100     5.100     0.900 peak   828 weight  0.10000E+01 volume  0.35574E-03 ppm1      0.602 ppm2      3.886 CV     1
 ASSI {  830}
   ( segid W   and resid 548   and name HG2%) 
   (( segid W   and resid 536   and name HB2 ))
      4.900     4.900     1.100 peak   830 weight  0.10000E+01 volume  0.78110E-03 ppm1      0.160 ppm2      4.028 CV     1
 ASSI {  831}
   ( segid W   and resid 548   and name HG2%) 
   (( segid W   and resid 536   and name HB1 ))
      4.000     3.600     2.000 peak   831 weight  0.10000E+01 volume  0.96419E-03 ppm1      0.163 ppm2      3.906 CV     1
 ASSI {  834}
   (( segid W   and resid 562   and name HA ))
   (( segid W   and resid 564   and name HD2 ))
      5.400     5.400     0.600 peak   834 weight  0.10000E+01 volume  0.31496E-03 ppm1      4.653 ppm2      3.159 CV     1
 ASSI {  837}
   (( segid W   and resid 552   and name HA ))
   (( segid W   and resid 554   and name HD1 ))
      4.400     4.300     1.600 peak   837 weight  0.10000E+01 volume  0.68933E-03 ppm1      4.283 ppm2      3.154 CV     1
 ASSI {  839}
   (( segid W   and resid 552   and name HB1 ))
   (( segid W   and resid 554   and name HD1 ))
      3.000     2.100     2.100 peak   839 weight  0.10000E+01 volume  0.16859E-02 ppm1      3.650 ppm2      3.150 CV     1
 ASSI {  840}
   (( segid W   and resid 534   and name HB1 ))
   (( segid W   and resid 534   and name HD1 ))
      2.700     1.700     1.700 peak   840 weight  0.10000E+01 volume  0.30808E-02 ppm1      2.392 ppm2      3.176 CV     1
 ASSI {  841}
   (( segid W   and resid 534   and name HB2 ))
   (( segid W   and resid 534   and name HD1 ))
      3.300     2.600     2.600 peak   841 weight  0.10000E+01 volume  0.32378E-02 ppm1      2.035 ppm2      3.173 CV     1
 ASSI {  843}
   (( segid W   and resid 554   and name HG1 ))
   (( segid W   and resid 554   and name HD1 ))
      2.200     1.200     1.200 peak   843 weight  0.10000E+01 volume  0.14618E-01 ppm1      1.395 ppm2      3.152 CV     1
 ASSI {  846}
   (( segid W   and resid 553   and name HG2 ))
   (( segid W   and resid 553   and name HD2 ))
      2.800     1.800     1.800 peak   846 weight  0.10000E+01 volume  0.43922E-02 ppm1      0.992 ppm2      3.059 CV     1
 ASSI {  847}
   (( segid W   and resid 553   and name HG1 ))
   (( segid W   and resid 553   and name HD2 ))
      2.500     1.500     1.500 peak   847 weight  0.10000E+01 volume  0.36499E-02 ppm1      0.726 ppm2      3.059 CV     1
 ASSI {  848}
   (( segid W   and resid 553   and name HB2 ))
   (( segid W   and resid 553   and name HD2 ))
      3.200     2.400     2.400 peak   848 weight  0.10000E+01 volume  0.28381E-02 ppm1      1.641 ppm2      3.061 CV     1
 ASSI {  858}
   (( segid W   and resid 552   and name HN ))
   (( segid W   and resid 554   and name HD1 ))
      4.800     4.800     1.200 peak   858 weight  0.10000E+01 volume  0.38055E-03 ppm1      7.005 ppm2      3.156 CV     1
 ASSI {  860}
   (( segid W   and resid 551   and name HN ))
   (( segid W   and resid 534   and name HD1 ))
      4.700     4.700     1.300 peak   860 weight  0.10000E+01 volume  0.71804E-03 ppm1      8.310 ppm2      3.170 CV     1
 ASSI {  864}
   (( segid W   and resid 553   and name HG2 ))
   (( segid W   and resid 553   and name HD1 ))
      2.700     1.700     1.700 peak   864 weight  0.10000E+01 volume  0.41618E-02 ppm1      0.993 ppm2      2.899 CV     1
 ASSI {  865}
   (( segid W   and resid 553   and name HG1 ))
   (( segid W   and resid 553   and name HD1 ))
      2.900     2.000     2.000 peak   865 weight  0.10000E+01 volume  0.32818E-02 ppm1      0.738 ppm2      2.897 CV     1
 ASSI {  866}
   (( segid W   and resid 553   and name HB1 ))
   (( segid W   and resid 553   and name HD1 ))
      3.300     2.500     2.500 peak   866 weight  0.10000E+01 volume  0.30086E-02 ppm1      0.846 ppm2      2.888 CV     1
 ASSI {  867}
   (( segid W   and resid 561   and name HG2 ))
   (( segid W   and resid 561   and name HD1 ))
      2.700     1.700     1.700 peak   867 weight  0.10000E+01 volume  0.22125E-02 ppm1      1.137 ppm2      2.858 CV     1
 ASSI {  868}
   (( segid W   and resid 553   and name HB2 ))
   (( segid W   and resid 553   and name HD1 ))
      2.500     1.500     1.500 peak   868 weight  0.10000E+01 volume  0.33360E-02 ppm1      1.642 ppm2      2.895 CV     1
 ASSI {  869}
   (( segid W   and resid 529   and name HB2 ))
   (( segid W   and resid 561   and name HD1 ))
      3.400     2.700     2.600 peak   869 weight  0.10000E+01 volume  0.12693E-02 ppm1      1.930 ppm2      2.860 CV     1
 ASSI {  870}
   (( segid W   and resid 561   and name HG1 ))
   (( segid W   and resid 561   and name HD1 ))
      2.500     1.500     1.500 peak   870 weight  0.10000E+01 volume  0.48190E-02 ppm1      1.744 ppm2      2.860 CV     1
 OR {  870}
   (( segid W   and resid 561   and name HB1 ))
   (( segid W   and resid 561   and name HD1 ))
 ASSI {  871}
   (( segid W   and resid 529   and name HB2 ))
   (( segid W   and resid 561   and name HD2 ))
      3.600     3.000     2.400 peak   871 weight  0.10000E+01 volume  0.10788E-02 ppm1      1.924 ppm2      2.813 CV     1
 ASSI {  872}
   (( segid W   and resid 561   and name HG1 ))
   (( segid W   and resid 561   and name HD2 ))
      2.500     1.500     1.500 peak   872 weight  0.10000E+01 volume  0.42221E-02 ppm1      1.748 ppm2      2.816 CV     1
 OR {  872}
   (( segid W   and resid 561   and name HG1 ))
   (( segid W   and resid 561   and name HD1 ))
 OR {  872}
   (( segid W   and resid 561   and name HB1 ))
   (( segid W   and resid 561   and name HD2 ))
 ASSI {  875}
   (( segid W   and resid 553   and name HD2 ))
   (( segid W   and resid 553   and name HD1 ))
      1.500     0.600     0.700 peak   875 weight  0.10000E+01 volume  0.27921E-01 ppm1      3.060 ppm2      2.898 CV     1
 ASSI {  876}
   (( segid W   and resid 532   and name HD1 ))
   (( segid W   and resid 561   and name HD1 ))
      3.700     3.100     2.300 peak   876 weight  0.10000E+01 volume  0.82702E-03 ppm1      3.301 ppm2      2.857 CV     1
 ASSI {  877}
   (( segid W   and resid 561   and name HA ))
   (( segid W   and resid 561   and name HD1 ))
      4.500     4.400     1.500 peak   877 weight  0.10000E+01 volume  0.77936E-03 ppm1      3.859 ppm2      2.870 CV     1
 ASSI {  878}
   (( segid W   and resid 561   and name HA ))
   (( segid W   and resid 561   and name HD2 ))
      4.600     4.600     1.400 peak   878 weight  0.10000E+01 volume  0.69299E-03 ppm1      3.851 ppm2      2.799 CV     1
 ASSI {  879}
   (( segid W   and resid 531   and name HA ))
   (( segid W   and resid 561   and name HD1 ))
      3.200     2.400     2.400 peak   879 weight  0.10000E+01 volume  0.16997E-02 ppm1      4.134 ppm2      2.857 CV     1
 ASSI {  880}
   (( segid W   and resid 529   and name HA ))
   (( segid W   and resid 561   and name HD2 ))
      4.900     4.900     1.100 peak   880 weight  0.10000E+01 volume  0.32886E-03 ppm1      4.467 ppm2      2.782 CV     1
 ASSI {  881}
   (( segid W   and resid 529   and name HA ))
   (( segid W   and resid 561   and name HD1 ))
      4.400     4.400     1.600 peak   881 weight  0.10000E+01 volume  0.55239E-03 ppm1      4.477 ppm2      2.866 CV     1
 ASSI {  883}
   (( segid W   and resid 561   and name HH21)) 
   (( segid W   and resid 561   and name HD1 ))
      3.500     2.700     2.500 peak   883 weight  0.10000E+01 volume  0.32342E-02 ppm1      7.050 ppm2      2.862 CV     1
 ASSI {  884}
   (( segid W   and resid 561   and name HH21)) 
   (( segid W   and resid 561   and name HD1 ))
      3.500     2.900     2.500 peak   884 weight  0.10000E+01 volume  0.27933E-02 ppm1      7.051 ppm2      2.816 CV     1
 OR {  884}
   (( segid W   and resid 561   and name HH21)) 
   (( segid W   and resid 561   and name HD2 ))
 ASSI {  885}
   (( segid W   and resid 553   and name HN ))
   (( segid W   and resid 553   and name HD1 ))
      4.400     4.300     1.600 peak   885 weight  0.10000E+01 volume  0.47279E-03 ppm1      7.363 ppm2      2.898 CV     1
 ASSI {  886}
   (( segid W   and resid 562   and name HD21)) 
   (( segid W   and resid 561   and name HD1 ))
      4.700     4.700     1.300 peak   886 weight  0.10000E+01 volume  0.17173E-03 ppm1      6.719 ppm2      2.902 CV     1
 ASSI {  887}
   ( segid P   and resid 232   and name HE% )
   (( segid W   and resid 553   and name HD1 ))
      4.200     3.900     1.800 peak   887 weight  0.10000E+01 volume  0.31037E-03 ppm1      6.401 ppm2      2.898 CV     1
 ASSI {  888}
   ( segid P   and resid 232   and name HD% )
   (( segid W   and resid 553   and name HD1 ))
      4.600     4.600     1.400 peak   888 weight  0.10000E+01 volume  0.28510E-03 ppm1      6.664 ppm2      2.904 CV     1
 ASSI {  890}
   (( segid W   and resid 561   and name HE ))
   (( segid W   and resid 561   and name HD1 ))
      2.900     2.000     2.000 peak   890 weight  0.10000E+01 volume  0.18167E-02 ppm1      8.847 ppm2      2.858 CV     1
 ASSI {  891}
   (( segid W   and resid 561   and name HE ))
   (( segid W   and resid 561   and name HD2 ))
      2.900     2.000     2.000 peak   891 weight  0.10000E+01 volume  0.15772E-02 ppm1      8.845 ppm2      2.811 CV     1
 ASSI {  892}
   (( segid W   and resid 537   and name HG2 ))
   (( segid W   and resid 547   and name HB2 ))
      5.200     5.200     0.800 peak   892 weight  0.10000E+01 volume  0.24834E-03 ppm1      2.269 ppm2      3.367 CV     1
 ASSI {  893}
   (( segid W   and resid 559   and name HA ))
   (( segid W   and resid 547   and name HB2 ))
      4.500     4.500     1.500 peak   893 weight  0.10000E+01 volume  0.30933E-03 ppm1      2.321 ppm2      3.338 CV     1
 ASSI {  895}
   (( segid W   and resid 543   and name HN ))
   (( segid W   and resid 543   and name HA2 ))
      2.200     1.200     1.200 peak   895 weight  0.10000E+01 volume  0.96030E-02 ppm1      8.714 ppm2      3.542 CV     1
 ASSI {  896}
   (( segid W   and resid 544   and name HN ))
   (( segid W   and resid 543   and name HA2 ))
      3.500     2.700     2.500 peak   896 weight  0.10000E+01 volume  0.21243E-02 ppm1      8.100 ppm2      3.542 CV     1
 ASSI {  905}
   (( segid W   and resid 544   and name HB2 ))
   (( segid W   and resid 543   and name HA2 ))
      5.400     5.400     0.600 peak   905 weight  0.10000E+01 volume  0.35907E-03 ppm1      1.510 ppm2      3.547 CV     1
 OR {  905}
   (( segid W   and resid 544   and name HG1 ))
   (( segid W   and resid 543   and name HA2 ))
 ASSI {  906}
   ( segid W   and resid 539   and name HG1%) 
   (( segid W   and resid 543   and name HA2 ))
      2.500     2.500     3.500 peak   906 weight  0.10000E+01 volume  0.66544E-02 ppm1      0.973 ppm2      3.542 CV     1
 ASSI {  910}
   (( segid W   and resid 525   and name HN ))
   (( segid W   and resid 524   and name HA1 ))
      3.400     2.700     2.600 peak   910 weight  0.10000E+01 volume  0.12930E-02 ppm1      8.375 ppm2      3.967 CV     1
 OR {  910}
   (( segid W   and resid 525   and name HN ))
   (( segid W   and resid 524   and name HA2 ))
 ASSI {  911}
   (( segid W   and resid 527   and name HN ))
   (( segid W   and resid 526   and name HA1 ))
      3.300     2.500     2.500 peak   911 weight  0.10000E+01 volume  0.18645E-02 ppm1      8.224 ppm2      3.939 CV     1
 ASSI {  913}
   (( segid W   and resid 528   and name HN ))
   (( segid W   and resid 526   and name HA1 ))
      4.800     4.800     1.200 peak   913 weight  0.10000E+01 volume  0.37113E-03 ppm1      8.479 ppm2      3.926 CV     1
 ASSI {  917}
   (( segid W   and resid 527   and name HG2 ))
   (( segid W   and resid 526   and name HA2 ))
      4.500     4.400     1.500 peak   917 weight  0.10000E+01 volume  0.48760E-03 ppm1      2.217 ppm2      3.977 CV     1
 OR {  917}
   (( segid W   and resid 527   and name HG2 ))
   (( segid W   and resid 526   and name HA1 ))
 ASSI {  918}
   (( segid W   and resid 527   and name HB1 ))
   (( segid W   and resid 526   and name HA2 ))
      4.700     4.700     1.300 peak   918 weight  0.10000E+01 volume  0.32059E-03 ppm1      1.850 ppm2      3.954 CV     1
 OR {  918}
   (( segid W   and resid 527   and name HB1 ))
   (( segid W   and resid 526   and name HA1 ))
 ASSI {  919}
   (( segid W   and resid 545   and name HN ))
   (( segid W   and resid 545   and name HB ))
      2.600     1.600     1.600 peak   919 weight  0.10000E+01 volume  0.76512E-02 ppm1      8.978 ppm2      4.032 CV     1
 ASSI {  921}
   (( segid W   and resid 538   and name HN ))
   (( segid W   and resid 545   and name HB ))
      4.300     4.100     1.700 peak   921 weight  0.10000E+01 volume  0.24593E-03 ppm1      8.061 ppm2      4.042 CV     1
 ASSI {  922}
   ( segid W   and resid 547   and name HE% )
   (( segid W   and resid 545   and name HB ))
      3.800     3.200     2.200 peak   922 weight  0.10000E+01 volume  0.72426E-03 ppm1      7.309 ppm2      4.034 CV     1
 ASSI {  925}
   (( segid W   and resid 539   and name HA ))
   (( segid W   and resid 545   and name HB ))
      3.800     3.300     2.200 peak   925 weight  0.10000E+01 volume  0.18178E-02 ppm1      4.460 ppm2      4.032 CV     1
 ASSI {  930}
   (( segid W   and resid 544   and name HB2 ))
   (( segid W   and resid 545   and name HB ))
      4.800     4.800     1.200 peak   930 weight  0.10000E+01 volume  0.42363E-03 ppm1      1.475 ppm2      4.030 CV     1
 OR {  930}
   (( segid W   and resid 544   and name HG1 ))
   (( segid W   and resid 545   and name HB ))
 ASSI {  931}
   ( segid W   and resid 545   and name HG2%) 
   (( segid W   and resid 545   and name HB ))
      2.200     1.200     1.200 peak   931 weight  0.10000E+01 volume  0.97523E-02 ppm1      0.829 ppm2      4.031 CV     1
 ASSI {  933}
   ( segid W   and resid 558   and name HG2%) 
   (( segid W   and resid 563   and name HA2 ))
      3.600     2.900     2.400 peak   933 weight  0.10000E+01 volume  0.39543E-02 ppm1      0.563 ppm2      3.865 CV     1
 ASSI {  936}
   (( segid W   and resid 564   and name HG1 ))
   (( segid W   and resid 563   and name HA2 ))
      4.000     3.600     2.000 peak   936 weight  0.10000E+01 volume  0.32208E-03 ppm1      1.496 ppm2      3.854 CV     1
 ASSI {  937}
   (( segid W   and resid 564   and name HG1 ))
   (( segid W   and resid 563   and name HA1 ))
      4.500     4.400     1.500 peak   937 weight  0.10000E+01 volume  0.35218E-03 ppm1      1.502 ppm2      3.647 CV     1
 ASSI {  941}
   (( segid W   and resid 563   and name HA1 ))
   (( segid W   and resid 563   and name HA2 ))
      1.600     0.700     0.700 peak   941 weight  0.10000E+01 volume  0.25898E-01 ppm1      3.649 ppm2      3.865 CV     1
 ASSI {  943}
   (( segid W   and resid 562   and name HA ))
   (( segid W   and resid 563   and name HA2 ))
      4.200     4.000     1.800 peak   943 weight  0.10000E+01 volume  0.45613E-03 ppm1      4.609 ppm2      3.863 CV     1
 ASSI {  944}
   (( segid W   and resid 564   and name HA ))
   (( segid W   and resid 563   and name HA2 ))
      4.300     4.100     1.700 peak   944 weight  0.10000E+01 volume  0.50369E-03 ppm1      4.421 ppm2      3.865 CV     1
 ASSI {  945}
   (( segid W   and resid 562   and name HA ))
   (( segid W   and resid 563   and name HA1 ))
      4.600     4.600     1.400 peak   945 weight  0.10000E+01 volume  0.50139E-03 ppm1      4.614 ppm2      3.650 CV     1
 ASSI {  946}
   (( segid W   and resid 564   and name HA ))
   (( segid W   and resid 563   and name HA1 ))
      4.400     4.300     1.600 peak   946 weight  0.10000E+01 volume  0.42960E-03 ppm1      4.419 ppm2      3.634 CV     1
 ASSI {  951}
   (( segid W   and resid 563   and name HN ))
   (( segid W   and resid 563   and name HA1 ))
      2.700     1.700     1.700 peak   951 weight  0.10000E+01 volume  0.22651E-02 ppm1      8.528 ppm2      3.646 CV     1
 ASSI {  952}
   (( segid W   and resid 564   and name HN ))
   (( segid W   and resid 563   and name HA1 ))
      3.300     2.500     2.500 peak   952 weight  0.10000E+01 volume  0.11009E-02 ppm1      8.162 ppm2      3.646 CV     1
 ASSI {  954}
   (( segid W   and resid 562   and name HN ))
   (( segid W   and resid 563   and name HA1 ))
      4.600     4.600     1.400 peak   954 weight  0.10000E+01 volume  0.58901E-03 ppm1      7.168 ppm2      3.657 CV     1
 ASSI {  960}
   (( segid W   and resid 555   and name HA ))
   (( segid W   and resid 548   and name HG12)) 
      4.600     4.600     1.400 peak   960 weight  0.10000E+01 volume  0.42523E-03 ppm1      5.534 ppm2      0.594 CV     1
 ASSI {  964}
   (( segid W   and resid 548   and name HB ))
   (( segid W   and resid 548   and name HG12)) 
      3.100     2.200     2.200 peak   964 weight  0.10000E+01 volume  0.15177E-02 ppm1      1.453 ppm2      0.595 CV     1
 ASSI {  969}
   (( segid W   and resid 535   and name HE3 ))
   (( segid W   and resid 560   and name HB1 ))
      4.800     4.800     1.200 peak   969 weight  0.10000E+01 volume  0.31956E-03 ppm1      7.575 ppm2      0.880 CV     1
 ASSI {  973}
   (( segid W   and resid 535   and name HZ2 ))
   (( segid W   and resid 560   and name HB2 ))
      4.700     4.700     1.300 peak   973 weight  0.10000E+01 volume  0.45613E-03 ppm1      7.404 ppm2      0.688 CV     1
 ASSI {  981}
   (( segid W   and resid 560   and name HD2 ))
   (( segid W   and resid 560   and name HB2 ))
      4.400     4.400     1.600 peak   981 weight  0.10000E+01 volume  0.68898E-03 ppm1      2.707 ppm2      0.691 CV     1
 ASSI {  983}
   (( segid W   and resid 559   and name HA ))
   (( segid W   and resid 560   and name HB2 ))
      5.900     5.900     0.100 peak   983 weight  0.10000E+01 volume  0.28843E-03 ppm1      2.316 ppm2      0.701 CV     1
 ASSI {  984}
   (( segid W   and resid 532   and name HG1 ))
   (( segid W   and resid 560   and name HB1 ))
      5.100     5.100     0.900 peak   984 weight  0.10000E+01 volume  0.10460E-02 ppm1      1.652 ppm2      0.868 CV     1
 ASSI {  987}
   (( segid W   and resid 532   and name HG2 ))
   (( segid W   and resid 560   and name HB2 ))
      3.000     2.000     2.000 peak   987 weight  0.10000E+01 volume  0.52264E-03 ppm1      1.375 ppm2      0.688 CV     1
 ASSI {  988}
   (( segid W   and resid 532   and name HG1 ))
   (( segid W   and resid 560   and name HB2 ))
      4.600     4.600     1.400 peak   988 weight  0.10000E+01 volume  0.50874E-03 ppm1      1.683 ppm2      0.677 CV     1
 ASSI {  989}
   (( segid W   and resid 560   and name HB2 ))
   (( segid W   and resid 560   and name HB1 ))
      1.800     0.900     0.900 peak   989 weight  0.10000E+01 volume  0.75233E-02 ppm1      0.684 ppm2      0.877 CV     1
 ASSI {  991}
   (( segid W   and resid 560   and name HG1 ))
   (( segid W   and resid 560   and name HB2 ))
      2.500     1.500     1.500 peak   991 weight  0.10000E+01 volume  0.21791E-02 ppm1      0.171 ppm2      0.690 CV     1
 ASSI {  994}
   ( segid P   and resid 232   and name HE% )
   (( segid W   and resid 553   and name HG1 ))
      4.800     4.800     1.200 peak   994 weight  0.10000E+01 volume  0.28774E-03 ppm1      6.408 ppm2      0.704 CV     1
 ASSI {  998}
   (( segid W   and resid 553   and name HB2 ))
   (( segid W   and resid 553   and name HG1 ))
      3.300     2.500     2.500 peak   998 weight  0.10000E+01 volume  0.15526E-02 ppm1      1.634 ppm2      0.712 CV     1
 ASSI {  999}
   (( segid W   and resid 553   and name HG2 ))
   (( segid W   and resid 553   and name HG1 ))
      2.000     1.000     1.000 peak   999 weight  0.10000E+01 volume  0.51753E-02 ppm1      0.990 ppm2      0.719 CV     1
 ASSI { 1014}
   (( segid W   and resid 535   and name HZ2 ))
   (( segid W   and resid 560   and name HG2 ))
      4.100     3.700     1.900 peak  1014 weight  0.10000E+01 volume  0.32633E-03 ppm1      7.394 ppm2      0.562 CV     1
 ASSI { 1015}
   (( segid W   and resid 535   and name HE3 ))
   (( segid W   and resid 560   and name HG2 ))
      3.900     3.400     2.100 peak  1015 weight  0.10000E+01 volume  0.25925E-03 ppm1      7.565 ppm2      0.571 CV     1
 ASSI { 1016}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 560   and name HG2 ))
      4.000     3.700     2.000 peak  1016 weight  0.10000E+01 volume  0.34138E-03 ppm1      7.103 ppm2      0.577 CV     1
 ASSI { 1018}
   (( segid W   and resid 535   and name HE3 ))
   (( segid W   and resid 560   and name HG1 ))
      4.200     4.000     1.800 peak  1018 weight  0.10000E+01 volume  0.53160E-03 ppm1      7.567 ppm2      0.178 CV     1
 ASSI { 1022}
   (( segid W   and resid 560   and name HA ))
   (( segid W   and resid 560   and name HG2 ))
      4.400     4.300     1.600 peak  1022 weight  0.10000E+01 volume  0.92182E-03 ppm1      3.949 ppm2      0.579 CV     1
 ASSI { 1023}
   (( segid W   and resid 531   and name HA ))
   (( segid W   and resid 560   and name HG2 ))
      5.900     5.900     0.100 peak  1023 weight  0.10000E+01 volume  0.31427E-03 ppm1      4.144 ppm2      0.555 CV     1
 ASSI { 1028}
   (( segid W   and resid 559   and name HA ))
   (( segid W   and resid 560   and name HG2 ))
      5.900     5.900     0.100 peak  1028 weight  0.10000E+01 volume  0.24891E-03 ppm1      2.322 ppm2      0.574 CV     1
 ASSI { 1029}
   (( segid W   and resid 547   and name HB1 ))
   (( segid W   and resid 560   and name HG1 ))
      5.300     5.300     0.700 peak  1029 weight  0.10000E+01 volume  0.34736E-03 ppm1      3.136 ppm2      0.188 CV     1
 ASSI { 1034}
   (( segid W   and resid 531   and name HA ))
   (( segid W   and resid 560   and name HG1 ))
      5.100     5.100     0.900 peak  1034 weight  0.10000E+01 volume  0.30646E-03 ppm1      4.139 ppm2      0.156 CV     1
 ASSI { 1037}
   (( segid W   and resid 532   and name HB2 ))
   (( segid W   and resid 560   and name HG2 ))
      4.300     4.200     1.700 peak  1037 weight  0.10000E+01 volume  0.33954E-03 ppm1      1.919 ppm2      0.563 CV     1
 ASSI { 1038}
   (( segid W   and resid 560   and name HB1 ))
   (( segid W   and resid 560   and name HG2 ))
      2.400     1.400     1.400 peak  1038 weight  0.10000E+01 volume  0.33209E-02 ppm1      0.870 ppm2      0.576 CV     1
 ASSI { 1040}
   (( segid W   and resid 560   and name HB1 ))
   (( segid W   and resid 560   and name HG1 ))
      2.900     1.900     1.900 peak  1040 weight  0.10000E+01 volume  0.42296E-02 ppm1      0.870 ppm2      0.172 CV     1
 ASSI { 1042}
   (( segid W   and resid 532   and name HG2 ))
   (( segid W   and resid 560   and name HG1 ))
      2.600     1.600     1.600 peak  1042 weight  0.10000E+01 volume  0.59465E-03 ppm1      1.378 ppm2      0.180 CV     1
 ASSI { 1043}
   (( segid W   and resid 561   and name HG1 ))
   (( segid W   and resid 560   and name HG1 ))
      4.300     4.200     1.700 peak  1043 weight  0.10000E+01 volume  0.52884E-03 ppm1      1.750 ppm2      0.175 CV     1
 OR { 1043}
   (( segid W   and resid 561   and name HB1 ))
   (( segid W   and resid 560   and name HG1 ))
 ASSI { 1044}
   (( segid W   and resid 532   and name HG1 ))
   (( segid W   and resid 560   and name HG1 ))
      4.700     4.700     1.300 peak  1044 weight  0.10000E+01 volume  0.50506E-03 ppm1      1.647 ppm2      0.160 CV     1
 ASSI { 1046}
   (( segid W   and resid 553   and name HD2 ))
   (( segid W   and resid 553   and name HB1 ))
      4.400     4.400     1.600 peak  1046 weight  0.10000E+01 volume  0.76559E-03 ppm1      3.062 ppm2      0.832 CV     1
 ASSI { 1051}
   (( segid W   and resid 553   and name HG2 ))
   (( segid W   and resid 553   and name HB1 ))
      2.800     1.800     1.800 peak  1051 weight  0.10000E+01 volume  0.20983E-02 ppm1      0.996 ppm2      0.828 CV     1
 ASSI { 1065}
   (( segid W   and resid 558   and name HN ))
   (( segid W   and resid 546   and name HA ))
      4.300     4.200     1.700 peak  1065 weight  0.10000E+01 volume  0.62290E-03 ppm1      8.647 ppm2      5.222 CV     1
 ASSI { 1068}
   (( segid W   and resid 522   and name HA ))
   (( segid W   and resid 522   and name HD2 ))
      4.300     4.100     1.700 peak  1068 weight  0.10000E+01 volume  0.37871E-03 ppm1      4.454 ppm2      3.552 CV     1
 ASSI { 1072}
   (( segid W   and resid 564   and name HD2 ))
   (( segid W   and resid 564   and name HA ))
      4.100     3.800     1.900 peak  1072 weight  0.10000E+01 volume  0.14613E-02 ppm1      3.119 ppm2      4.433 CV     1
 ASSI { 1073}
   (( segid W   and resid 564   and name HB2 ))
   (( segid W   and resid 564   and name HA ))
      2.500     1.500     1.500 peak  1073 weight  0.10000E+01 volume  0.40710E-02 ppm1      1.778 ppm2      4.432 CV     1
 ASSI { 1079}
   (( segid W   and resid 523   and name HA ))
   (( segid W   and resid 523   and name HB1 ))
      3.500     2.800     2.500 peak  1079 weight  0.10000E+01 volume  0.82592E-03 ppm1      4.331 ppm2      1.643 CV     1
 ASSI { 1080}
   (( segid W   and resid 523   and name HA ))
   (( segid W   and resid 523   and name HB2 ))
      3.800     3.300     2.200 peak  1080 weight  0.10000E+01 volume  0.69561E-03 ppm1      4.337 ppm2      1.600 CV     1
 ASSI { 1081}
   (( segid W   and resid 525   and name HB2 ))
   (( segid W   and resid 525   and name HA ))
      2.600     1.600     1.600 peak  1081 weight  0.10000E+01 volume  0.64237E-02 ppm1      3.896 ppm2      4.433 CV     1
 ASSI { 1086}
   (( segid W   and resid 527   and name HN ))
   (( segid W   and resid 527   and name HG2 ))
      3.700     3.100     2.300 peak  1086 weight  0.10000E+01 volume  0.12539E-02 ppm1      8.219 ppm2      2.207 CV     1
 ASSI { 1087}
   (( segid W   and resid 561   and name HH21)) 
   (( segid W   and resid 528   and name HG2 ))
      4.500     4.400     1.500 peak  1087 weight  0.10000E+01 volume  0.63109E-03 ppm1      7.052 ppm2      2.216 CV     1
 ASSI { 1093}
   (( segid W   and resid 546   and name HA ))
   (( segid W   and resid 539   and name HA ))
      5.000     5.000     1.000 peak  1093 weight  0.10000E+01 volume  0.42328E-03 ppm1      5.164 ppm2      4.431 CV     1
 ASSI { 1097}
   (( segid W   and resid 530   and name HD2 ))
   (( segid W   and resid 530   and name HD1 ))
      1.500     0.600     0.700 peak  1097 weight  0.10000E+01 volume  0.37156E-01 ppm1      3.657 ppm2      3.783 CV     1
 ASSI { 1099}
   (( segid W   and resid 530   and name HG1 ))
   (( segid W   and resid 530   and name HD1 ))
      2.000     1.000     1.000 peak  1099 weight  0.10000E+01 volume  0.14459E-01 ppm1      1.968 ppm2      3.783 CV     1
 ASSI { 1100}
   (( segid W   and resid 530   and name HG1 ))
   (( segid W   and resid 530   and name HD2 ))
      2.400     1.400     1.400 peak  1100 weight  0.10000E+01 volume  0.15480E-01 ppm1      1.967 ppm2      3.655 CV     1
 ASSI { 1106}
   (( segid W   and resid 535   and name HE1 ))
   (( segid W   and resid 533   and name HB2 ))
      4.400     4.200     1.600 peak  1106 weight  0.10000E+01 volume  0.25351E-03 ppm1     10.103 ppm2      1.889 CV     1
 ASSI { 1107}
   (( segid W   and resid 540   and name HN ))
   (( segid W   and resid 539   and name HB ))
      4.500     4.500     1.500 peak  1107 weight  0.10000E+01 volume  0.48967E-03 ppm1      9.380 ppm2      1.901 CV     1
 ASSI { 1109}
   (( segid W   and resid 531   and name HN ))
   (( segid W   and resid 530   and name HB2 ))
      3.100     2.200     2.200 peak  1109 weight  0.10000E+01 volume  0.24357E-02 ppm1      8.553 ppm2      1.904 CV     1
 ASSI { 1111}
   (( segid W   and resid 544   and name HN ))
   (( segid W   and resid 544   and name HB1 ))
      2.900     2.000     2.000 peak  1111 weight  0.10000E+01 volume  0.22560E-02 ppm1      8.105 ppm2      1.919 CV     1
 ASSI { 1113}
   (( segid W   and resid 535   and name HD1 ))
   (( segid W   and resid 533   and name HB2 ))
      4.000     3.600     2.000 peak  1113 weight  0.10000E+01 volume  0.35746E-03 ppm1      7.309 ppm2      1.938 CV     1
 ASSI { 1114}
   (( segid W   and resid 557   and name HZ3 ))
   (( segid W   and resid 544   and name HB1 ))
      4.100     3.700     1.900 peak  1114 weight  0.10000E+01 volume  0.13218E-02 ppm1      6.952 ppm2      1.921 CV     1
 OR { 1114}
   (( segid W   and resid 557   and name HH2 ))
   (( segid W   and resid 544   and name HB1 ))
 ASSI { 1115}
   (( segid W   and resid 542   and name HD22)) 
   (( segid W   and resid 544   and name HB1 ))
      4.600     4.600     1.400 peak  1115 weight  0.10000E+01 volume  0.30865E-03 ppm1      7.543 ppm2      1.921 CV     1
 ASSI { 1116}
   (( segid W   and resid 542   and name HD21)) 
   (( segid W   and resid 544   and name HB1 ))
      4.500     4.400     1.500 peak  1116 weight  0.10000E+01 volume  0.55975E-03 ppm1      5.541 ppm2      1.918 CV     1
 ASSI { 1121}
   (( segid W   and resid 533   and name HD1 ))
   (( segid W   and resid 533   and name HB2 ))
      3.500     2.700     2.500 peak  1121 weight  0.10000E+01 volume  0.30683E-02 ppm1      3.869 ppm2      1.913 CV     1
 ASSI { 1126}
   (( segid W   and resid 522   and name HB1 ))
   (( segid W   and resid 522   and name HB2 ))
      1.500     0.600     0.700 peak  1126 weight  0.10000E+01 volume  0.32280E-01 ppm1      2.282 ppm2      1.921 CV     1
 ASSI { 1127}
   (( segid W   and resid 533   and name HB1 ))
   (( segid W   and resid 533   and name HB2 ))
      1.700     0.700     0.700 peak  1127 weight  0.10000E+01 volume  0.19218E-01 ppm1      2.420 ppm2      1.915 CV     1
 ASSI { 1128}
   (( segid W   and resid 533   and name HG2 ))
   (( segid W   and resid 533   and name HB2 ))
      2.300     1.300     1.300 peak  1128 weight  0.10000E+01 volume  0.93554E-02 ppm1      2.114 ppm2      1.914 CV     1
 OR { 1128}
   (( segid W   and resid 533   and name HG1 ))
   (( segid W   and resid 533   and name HB2 ))
 ASSI { 1129}
   (( segid W   and resid 544   and name HB2 ))
   (( segid W   and resid 544   and name HB1 ))
      1.900     1.000     1.000 peak  1129 weight  0.10000E+01 volume  0.75913E-02 ppm1      1.505 ppm2      1.920 CV     1
 OR { 1129}
   (( segid W   and resid 544   and name HG1 ))
   (( segid W   and resid 544   and name HB1 ))
 ASSI { 1134}
   (( segid W   and resid 530   and name HD1 ))
   (( segid W   and resid 530   and name HB1 ))
      3.400     2.600     2.600 peak  1134 weight  0.10000E+01 volume  0.24661E-02 ppm1      3.786 ppm2      2.269 CV     1
 ASSI { 1135}
   (( segid W   and resid 530   and name HD2 ))
   (( segid W   and resid 530   and name HB1 ))
      3.800     3.300     2.200 peak  1135 weight  0.10000E+01 volume  0.20107E-02 ppm1      3.653 ppm2      2.269 CV     1
 ASSI { 1149}
   (( segid W   and resid 522   and name HB2 ))
   (( segid W   and resid 523   and name HA ))
      3.700     3.100     2.300 peak  1149 weight  0.10000E+01 volume  0.10880E-02 ppm1      1.936 ppm2      4.313 CV     1
 ASSI { 1154}
   (( segid W   and resid 549   and name HB2 ))
   (( segid W   and resid 535   and name HZ3 ))
      3.500     2.700     2.500 peak  1154 weight  0.10000E+01 volume  0.51334E-03 ppm1      0.599 ppm2      6.848 CV     1
 ASSI { 1160}
   (( segid W   and resid 540   and name HN ))
   (( segid W   and resid 540   and name HA ))
      2.900     2.000     2.000 peak  1160 weight  0.10000E+01 volume  0.20195E-02 ppm1      9.377 ppm2      4.738 CV     1
 ASSI { 1161}
   (( segid W   and resid 541   and name HD2 ))
   (( segid W   and resid 540   and name HA ))
      2.000     1.000     1.000 peak  1161 weight  0.10000E+01 volume  0.12132E-01 ppm1      3.886 ppm2      4.742 CV     1
 ASSI { 1162}
   (( segid W   and resid 541   and name HG2 ))
   (( segid W   and resid 540   and name HA ))
      4.200     4.000     1.800 peak  1162 weight  0.10000E+01 volume  0.17659E-02 ppm1      2.054 ppm2      4.750 CV     1
 ASSI { 1163}
   (( segid W   and resid 541   and name HG1 ))
   (( segid W   and resid 540   and name HA ))
      4.400     4.300     1.600 peak  1163 weight  0.10000E+01 volume  0.14221E-02 ppm1      2.186 ppm2      4.761 CV     1
 ASSI { 1165}
   ( segid W   and resid 546   and name HD% )
   (( segid W   and resid 540   and name HA ))
      3.800     3.300     2.200 peak  1165 weight  0.10000E+01 volume  0.19826E-02 ppm1      7.037 ppm2      4.744 CV     1
 ASSI { 1166}
   ( segid W   and resid 546   and name HE% )
   (( segid W   and resid 540   and name HA ))
      2.500     1.500     1.500 peak  1166 weight  0.10000E+01 volume  0.40351E-02 ppm1      6.754 ppm2      4.739 CV     1
 ASSI { 1167}
   (( segid W   and resid 542   and name HB1 ))
   (( segid W   and resid 540   and name HA ))
      4.800     4.800     1.200 peak  1167 weight  0.10000E+01 volume  0.77465E-03 ppm1      2.846 ppm2      4.733 CV     1
 ASSI { 1169}
   (( segid W   and resid 558   and name HB ))
   (( segid W   and resid 564   and name HA ))
      4.800     4.800     1.200 peak  1169 weight  0.10000E+01 volume  0.67863E-03 ppm1      1.931 ppm2      4.412 CV     1
 ASSI { 1171}
   (( segid W   and resid 561   and name HB2 ))
   (( segid W   and resid 529   and name HA ))
      4.800     4.800     1.200 peak  1171 weight  0.10000E+01 volume  0.60284E-03 ppm1      1.553 ppm2      4.472 CV     1
 ASSI { 1173}
   ( segid W   and resid 548   and name HD1%) 
   (( segid W   and resid 538   and name HA ))
      4.600     4.600     1.400 peak  1173 weight  0.10000E+01 volume  0.75274E-03 ppm1      0.361 ppm2      4.298 CV     1
 ASSI { 1177}
   (( segid W   and resid 537   and name HN ))
   (( segid W   and resid 538   and name HA ))
      4.100     3.700     1.900 peak  1177 weight  0.10000E+01 volume  0.41937E-03 ppm1      8.709 ppm2      4.302 CV     1
 ASSI { 1181}
   (( segid W   and resid 538   and name HE22)) 
   (( segid W   and resid 538   and name HA ))
      4.200     3.900     1.800 peak  1181 weight  0.10000E+01 volume  0.11887E-02 ppm1      7.323 ppm2      4.330 CV     1
 ASSI { 1182}
   (( segid W   and resid 550   and name HN ))
   (( segid W   and resid 551   and name HA ))
      4.900     4.900     1.100 peak  1182 weight  0.10000E+01 volume  0.56721E-03 ppm1      8.546 ppm2      4.155 CV     1
 ASSI { 1183}
   (( segid W   and resid 551   and name HN ))
   (( segid W   and resid 551   and name HA ))
      2.600     1.600     1.600 peak  1183 weight  0.10000E+01 volume  0.48857E-02 ppm1      8.319 ppm2      4.153 CV     1
 ASSI { 1184}
   (( segid W   and resid 553   and name HN ))
   (( segid W   and resid 551   and name HA ))
      4.200     4.000     1.800 peak  1184 weight  0.10000E+01 volume  0.67393E-03 ppm1      7.371 ppm2      4.155 CV     1
 ASSI { 1185}
   (( segid W   and resid 552   and name HN ))
   (( segid W   and resid 551   and name HA ))
      3.200     2.400     2.400 peak  1185 weight  0.10000E+01 volume  0.18904E-02 ppm1      6.989 ppm2      4.154 CV     1
 ASSI { 1187}
   (( segid W   and resid 534   and name HB1 ))
   (( segid W   and resid 551   and name HA ))
      4.100     3.700     1.900 peak  1187 weight  0.10000E+01 volume  0.49392E-03 ppm1      2.389 ppm2      4.153 CV     1
 ASSI { 1188}
   (( segid W   and resid 534   and name HB2 ))
   (( segid W   and resid 551   and name HA ))
      4.700     4.700     1.300 peak  1188 weight  0.10000E+01 volume  0.54022E-03 ppm1      2.036 ppm2      4.153 CV     1
 ASSI { 1189}
   ( segid W   and resid 551   and name HB% )
   (( segid W   and resid 551   and name HA ))
      2.100     1.100     1.100 peak  1189 weight  0.10000E+01 volume  0.20523E-01 ppm1      1.405 ppm2      4.153 CV     1
 ASSI { 1192}
   (( segid P   and resid 228   and name HA1 ))
   (( segid W   and resid 542   and name HA ))
      4.300     4.100     1.700 peak  1192 weight  0.10000E+01 volume  0.19287E-02 ppm1      3.785 ppm2      4.535 CV     1
 ASSI { 1193}
   (( segid W   and resid 543   and name HA2 ))
   (( segid W   and resid 542   and name HA ))
      3.800     3.200     2.200 peak  1193 weight  0.10000E+01 volume  0.15144E-02 ppm1      3.508 ppm2      4.538 CV     1
 ASSI { 1195}
   ( segid P   and resid 229   and name HD2%) 
   (( segid W   and resid 555   and name HB ))
      4.000     3.600     2.000 peak  1195 weight  0.10000E+01 volume  0.92879E-03 ppm1     -0.903 ppm2      4.177 CV     1
 ASSI { 1197}
   (( segid W   and resid 555   and name HN ))
   (( segid W   and resid 555   and name HB ))
      3.800     3.200     2.200 peak  1197 weight  0.10000E+01 volume  0.85631E-03 ppm1      8.026 ppm2      4.182 CV     1
 ASSI { 1198}
   (( segid W   and resid 549   and name HN ))
   (( segid W   and resid 555   and name HB ))
      5.000     5.000     1.000 peak  1198 weight  0.10000E+01 volume  0.46119E-03 ppm1      8.282 ppm2      4.174 CV     1
 ASSI { 1199}
   ( segid W   and resid 546   and name HD% )
   (( segid W   and resid 555   and name HB ))
      2.200     2.200     3.800 peak  1199 weight  0.10000E+01 volume  0.46155E-02 ppm1      7.032 ppm2      4.177 CV     1
 ASSI { 1200}
   ( segid W   and resid 546   and name HE% )
   (( segid W   and resid 555   and name HB ))
      3.400     2.700     2.600 peak  1200 weight  0.10000E+01 volume  0.16093E-02 ppm1      6.760 ppm2      4.177 CV     1
 ASSI { 1201}
   (( segid W   and resid 555   and name HA ))
   (( segid W   and resid 555   and name HB ))
      2.200     1.200     1.200 peak  1201 weight  0.10000E+01 volume  0.57839E-02 ppm1      5.515 ppm2      4.177 CV     1
 ASSI { 1202}
   (( segid W   and resid 546   and name HA ))
   (( segid W   and resid 555   and name HB ))
      5.400     5.400     0.600 peak  1202 weight  0.10000E+01 volume  0.41696E-03 ppm1      5.195 ppm2      4.182 CV     1
 ASSI { 1206}
   (( segid P   and resid 232   and name HA ))
   (( segid W   and resid 555   and name HB ))
      5.000     5.000     1.000 peak  1206 weight  0.10000E+01 volume  0.38871E-03 ppm1      3.479 ppm2      4.184 CV     1
 ASSI { 1209}
   (( segid P   and resid 232   and name HB1 ))
   (( segid W   and resid 555   and name HB ))
      5.500     5.500     0.500 peak  1209 weight  0.10000E+01 volume  0.38319E-03 ppm1      2.717 ppm2      4.210 CV     1
 ASSI { 1213}
   (( segid P   and resid 229   and name HB1 ))
   (( segid W   and resid 555   and name HB ))
      4.600     4.600     1.400 peak  1213 weight  0.10000E+01 volume  0.83301E-03 ppm1      1.398 ppm2      4.152 CV     1
 ASSI { 1214}
   ( segid W   and resid 555   and name HG2%) 
   (( segid W   and resid 555   and name HB ))
      2.200     1.200     1.200 peak  1214 weight  0.10000E+01 volume  0.63952E-02 ppm1      1.002 ppm2      4.177 CV     1
 ASSI { 1216}
   (( segid W   and resid 548   and name HG12)) 
   (( segid W   and resid 555   and name HB ))
      4.000     3.600     2.000 peak  1216 weight  0.10000E+01 volume  0.78982E-03 ppm1      0.608 ppm2      4.181 CV     1
 ASSI { 1218}
   ( segid P   and resid 229   and name HD1%) 
   (( segid W   and resid 555   and name HB ))
      3.300     2.500     2.500 peak  1218 weight  0.10000E+01 volume  0.67050E-03 ppm1      0.175 ppm2      4.173 CV     1
 ASSI { 1220}
   (( segid W   and resid 555   and name HN ))
   (( segid W   and resid 556   and name HB ))
      4.000     3.700     2.000 peak  1220 weight  0.10000E+01 volume  0.39181E-03 ppm1      8.013 ppm2      4.424 CV     1
 ASSI { 1221}
   ( segid P   and resid 229   and name HD1%) 
   (( segid W   and resid 556   and name HB ))
      5.200     5.200     0.800 peak  1221 weight  0.10000E+01 volume  0.35942E-03 ppm1      0.184 ppm2      4.419 CV     1
 ASSI { 1228}
   (( segid P   and resid 229   and name HG ))
   (( segid W   and resid 556   and name HB ))
      5.500     5.500     0.500 peak  1228 weight  0.10000E+01 volume  0.36217E-03 ppm1      0.695 ppm2      4.443 CV     1
 OR { 1228}
   (( segid P   and resid 229   and name HB2 ))
   (( segid W   and resid 556   and name HB ))
 ASSI { 1229}
   (( segid W   and resid 535   and name HH2 ))
   (( segid W   and resid 556   and name HB ))
      4.900     4.900     1.100 peak  1229 weight  0.10000E+01 volume  0.29762E-03 ppm1      7.109 ppm2      4.429 CV     1
 ASSI { 1238}
   ( segid W   and resid 546   and name HE% )
   (( segid W   and resid 538   and name HA ))
      4.800     4.800     1.200 peak  1238 weight  0.10000E+01 volume  0.38928E-03 ppm1      6.763 ppm2      4.285 CV     1
 ASSI { 1255}
   (( segid W   and resid 554   and name HN ))
   (( segid W   and resid 548   and name HA ))
      4.600     4.600     1.400 peak  1255 weight  0.10000E+01 volume  0.62278E-03 ppm1      7.408 ppm2      4.226 CV     1
 ASSI { 1256}
   (( segid W   and resid 555   and name HN ))
   (( segid W   and resid 548   and name HA ))
      4.600     4.600     1.400 peak  1256 weight  0.10000E+01 volume  0.46923E-03 ppm1      8.021 ppm2      4.240 CV     1
 ASSI { 1257}
   (( segid W   and resid 535   and name HE3 ))
   (( segid W   and resid 548   and name HA ))
      3.900     3.500     2.100 peak  1257 weight  0.10000E+01 volume  0.51024E-03 ppm1      7.551 ppm2      4.231 CV     1
 ASSI { 1258}
   ( segid W   and resid 546   and name HD% )
   (( segid W   and resid 548   and name HA ))
      3.800     3.300     2.200 peak  1258 weight  0.10000E+01 volume  0.62638E-03 ppm1      7.041 ppm2      4.229 CV     1
 ASSI { 1260}
   (( segid W   and resid 555   and name HA ))
   (( segid W   and resid 548   and name HA ))
      2.400     1.400     1.400 peak  1260 weight  0.10000E+01 volume  0.42880E-02 ppm1      5.524 ppm2      4.227 CV     1
 ASSI { 1261}
   (( segid W   and resid 547   and name HA ))
   (( segid W   and resid 548   and name HA ))
      4.200     3.900     1.800 peak  1261 weight  0.10000E+01 volume  0.66875E-03 ppm1      5.129 ppm2      4.228 CV     1
 ASSI { 1266}
   (( segid W   and resid 549   and name HB1 ))
   (( segid W   and resid 548   and name HA ))
      4.700     4.700     1.300 peak  1266 weight  0.10000E+01 volume  0.91792E-03 ppm1      2.063 ppm2      4.227 CV     1
 ASSI { 1268}
   (( segid W   and resid 548   and name HB ))
   (( segid W   and resid 548   and name HA ))
      2.900     1.900     1.900 peak  1268 weight  0.10000E+01 volume  0.17791E-02 ppm1      1.453 ppm2      4.229 CV     1
 ASSI { 1270}
   (( segid W   and resid 548   and name HG11)) 
   (( segid W   and resid 548   and name HA ))
      2.700     1.700     1.700 peak  1270 weight  0.10000E+01 volume  0.23639E-02 ppm1      1.106 ppm2      4.229 CV     1
 ASSI { 1271}
   ( segid W   and resid 555   and name HG2%) 
   (( segid W   and resid 548   and name HA ))
      2.600     1.600     1.600 peak  1271 weight  0.10000E+01 volume  0.33819E-02 ppm1      1.004 ppm2      4.227 CV     1
 ASSI { 1272}
   ( segid W   and resid 548   and name HD1%) 
   (( segid W   and resid 548   and name HA ))
      4.000     3.700     2.000 peak  1272 weight  0.10000E+01 volume  0.14897E-02 ppm1      0.361 ppm2      4.229 CV     1
 ASSI { 1273}
   ( segid W   and resid 548   and name HG2%) 
   (( segid W   and resid 548   and name HA ))
      2.400     1.400     1.400 peak  1273 weight  0.10000E+01 volume  0.49361E-02 ppm1      0.163 ppm2      4.227 CV     1
 ASSI { 1281}
   (( segid W   and resid 566   and name HB1 ))
   (( segid W   and resid 566   and name HA ))
      2.200     1.200     1.200 peak  1281 weight  0.10000E+01 volume  0.14415E-01 ppm1      4.083 ppm2      4.267 CV     1
 ASSI { 1283}
   ( segid W   and resid 565   and name HB% )
   (( segid W   and resid 566   and name HA ))
      4.600     4.600     1.400 peak  1283 weight  0.10000E+01 volume  0.62673E-03 ppm1      1.372 ppm2      4.266 CV     1
 ASSI { 1285}
   (( segid W   and resid 550   and name HN ))
   (( segid W   and resid 550   and name HA ))
      2.700     1.700     1.700 peak  1285 weight  0.10000E+01 volume  0.29494E-02 ppm1      8.520 ppm2      4.197 CV     1
 ASSI { 1286}
   (( segid W   and resid 551   and name HN ))
   (( segid W   and resid 550   and name HA ))
      3.200     2.400     2.400 peak  1286 weight  0.10000E+01 volume  0.16046E-02 ppm1      8.309 ppm2      4.200 CV     1
 ASSI { 1288}
   (( segid W   and resid 550   and name HD2 ))
   (( segid W   and resid 550   and name HA ))
      3.400     2.600     2.600 peak  1288 weight  0.10000E+01 volume  0.10792E-02 ppm1      6.755 ppm2      4.200 CV     1
 ASSI { 1291}
   (( segid W   and resid 552   and name HN ))
   (( segid W   and resid 550   and name HA ))
      4.100     3.700     1.900 peak  1291 weight  0.10000E+01 volume  0.83876E-03 ppm1      6.988 ppm2      4.195 CV     1
 ASSI { 1293}
   (( segid W   and resid 549   and name HA ))
   (( segid W   and resid 550   and name HA ))
      4.100     3.800     1.900 peak  1293 weight  0.10000E+01 volume  0.10160E-02 ppm1      3.478 ppm2      4.204 CV     1
 ASSI { 1294}
   (( segid W   and resid 550   and name HB2 ))
   (( segid W   and resid 550   and name HA ))
      2.300     1.200     1.200 peak  1294 weight  0.10000E+01 volume  0.78320E-02 ppm1      3.097 ppm2      4.197 CV     1
 ASSI { 1295}
   (( segid W   and resid 553   and name HA ))
   (( segid W   and resid 550   and name HA ))
      3.000     2.100     2.100 peak  1295 weight  0.10000E+01 volume  0.16154E-02 ppm1      2.307 ppm2      4.201 CV     1
 ASSI { 1297}
   (( segid W   and resid 553   and name HG2 ))
   (( segid W   and resid 550   and name HA ))
      4.400     4.300     1.600 peak  1297 weight  0.10000E+01 volume  0.72263E-03 ppm1      0.991 ppm2      4.201 CV     1
 ASSI { 1298}
   (( segid W   and resid 553   and name HB1 ))
   (( segid W   and resid 550   and name HA ))
      4.800     4.800     1.200 peak  1298 weight  0.10000E+01 volume  0.65544E-03 ppm1      0.810 ppm2      4.198 CV     1
 ASSI { 1301}
   (( segid W   and resid 553   and name HG1 ))
   (( segid W   and resid 550   and name HA ))
      3.500     2.900     2.500 peak  1301 weight  0.10000E+01 volume  0.86986E-03 ppm1      0.717 ppm2      4.200 CV     1
 ASSI { 1302}
   ( segid W   and resid 548   and name HG2%) 
   (( segid W   and resid 550   and name HA ))
      3.400     2.700     2.600 peak  1302 weight  0.10000E+01 volume  0.18468E-02 ppm1      0.163 ppm2      4.197 CV     1
 ASSI { 1304}
   (( segid W   and resid 553   and name HG1 ))
   (( segid W   and resid 552   and name HA ))
      4.000     3.500     2.000 peak  1304 weight  0.10000E+01 volume  0.40249E-03 ppm1      0.735 ppm2      4.280 CV     1
 ASSI { 1305}
   (( segid W   and resid 553   and name HG2 ))
   (( segid W   and resid 552   and name HA ))
      4.000     3.500     2.000 peak  1305 weight  0.10000E+01 volume  0.67666E-03 ppm1      0.986 ppm2      4.268 CV     1
 ASSI { 1306}
   (( segid W   and resid 553   and name HA ))
   (( segid W   and resid 552   and name HA ))
      4.900     4.900     1.100 peak  1306 weight  0.10000E+01 volume  0.44602E-03 ppm1      2.327 ppm2      4.274 CV     1
 ASSI { 1308}
   (( segid W   and resid 553   and name HD1 ))
   (( segid W   and resid 552   and name HA ))
      4.900     4.900     1.100 peak  1308 weight  0.10000E+01 volume  0.32587E-03 ppm1      2.893 ppm2      4.265 CV     1
 ASSI { 1311}
   ( segid W   and resid 523   and name HD2%) 
   (( segid W   and resid 523   and name HA ))
      3.600     2.900     2.400 peak  1311 weight  0.10000E+01 volume  0.16216E-02 ppm1      0.869 ppm2      4.330 CV     1
 OR { 1311}
   ( segid W   and resid 523   and name HD1%) 
   (( segid W   and resid 523   and name HA ))
 ASSI { 1314}
   (( segid W   and resid 557   and name HE1 ))
   (( segid W   and resid 557   and name HB1 ))
      4.800     4.800     1.200 peak  1314 weight  0.10000E+01 volume  0.53953E-03 ppm1     10.190 ppm2      3.881 CV     1
 ASSI { 1315}
   (( segid W   and resid 544   and name HG1 ))
   (( segid W   and resid 557   and name HB1 ))
      4.700     4.700     1.300 peak  1315 weight  0.10000E+01 volume  0.33449E-03 ppm1      1.519 ppm2      3.878 CV     1
 OR { 1315}
   (( segid W   and resid 544   and name HB2 ))
   (( segid W   and resid 557   and name HB1 ))
 ASSI { 1316}
   (( segid W   and resid 558   and name HG11)) 
   (( segid W   and resid 557   and name HB1 ))
      5.700     5.700     0.300 peak  1316 weight  0.10000E+01 volume  0.33231E-03 ppm1      1.581 ppm2      3.862 CV     1
 ASSI { 1330}
   (( segid W   and resid 537   and name HB2 ))
   (( segid W   and resid 536   and name HB1 ))
      6.000     6.000     0.000 peak  1330 weight  0.10000E+01 volume  0.34793E-03 ppm1      1.900 ppm2      3.911 CV     1
 ASSI { 1338}
   ( segid W   and resid 546   and name HE% )
   (( segid W   and resid 541   and name HD2 ))
      4.200     3.900     1.800 peak  1338 weight  0.10000E+01 volume  0.12381E-02 ppm1      6.764 ppm2      3.887 CV     1
 ASSI { 1339}
   (( segid W   and resid 542   and name HN ))
   (( segid W   and resid 541   and name HD2 ))
      4.100     3.700     1.900 peak  1339 weight  0.10000E+01 volume  0.11127E-02 ppm1      8.067 ppm2      3.882 CV     1
 ASSI { 1344}
   (( segid P   and resid 230   and name HB2 ))
   (( segid W   and resid 541   and name HD2 ))
      5.600     5.600     0.400 peak  1344 weight  0.10000E+01 volume  0.27212E-03 ppm1      1.170 ppm2      3.884 CV     1
 ASSI { 1345}
   (( segid P   and resid 230   and name HG2 ))
   (( segid W   and resid 541   and name HD2 ))
      3.300     2.600     2.600 peak  1345 weight  0.10000E+01 volume  0.14832E-02 ppm1      1.507 ppm2      3.882 CV     1
 ASSI { 1351}
   (( segid W   and resid 542   and name HB2 ))
   (( segid W   and resid 541   and name HD2 ))
      5.800     5.800     0.200 peak  1351 weight  0.10000E+01 volume  0.32829E-03 ppm1      3.226 ppm2      3.862 CV     1
 ASSI { 1352}
   (( segid W   and resid 533   and name HD2 ))
   (( segid W   and resid 533   and name HD1 ))
      1.600     0.700     0.700 peak  1352 weight  0.10000E+01 volume  0.17681E-01 ppm1      3.624 ppm2      3.871 CV     1
 ASSI { 1361}
   (( segid W   and resid 561   and name HE ))
   (( segid W   and resid 531   and name HA ))
      4.000     3.500     2.000 peak  1361 weight  0.10000E+01 volume  0.46992E-03 ppm1      8.836 ppm2      4.132 CV     1
 ASSI { 1362}
   (( segid W   and resid 531   and name HN ))
   (( segid W   and resid 531   and name HA ))
      2.700     1.700     1.700 peak  1362 weight  0.10000E+01 volume  0.25713E-02 ppm1      8.551 ppm2      4.128 CV     1
 ASSI { 1363}
   ( segid W   and resid 547   and name HE% )
   (( segid W   and resid 531   and name HA ))
      4.000     3.500     2.000 peak  1363 weight  0.10000E+01 volume  0.24409E-03 ppm1      7.323 ppm2      4.127 CV     1
 ASSI { 1364}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 531   and name HA ))
      4.500     4.500     1.500 peak  1364 weight  0.10000E+01 volume  0.70909E-03 ppm1      7.049 ppm2      4.127 CV     1
 ASSI { 1365}
   (( segid W   and resid 532   and name HA ))
   (( segid W   and resid 531   and name HA ))
      4.600     4.600     1.400 peak  1365 weight  0.10000E+01 volume  0.30589E-03 ppm1      4.728 ppm2      4.132 CV     1
 ASSI { 1366}
   (( segid W   and resid 530   and name HA ))
   (( segid W   and resid 531   and name HA ))
      4.200     3.900     1.800 peak  1366 weight  0.10000E+01 volume  0.69933E-03 ppm1      4.442 ppm2      4.132 CV     1
 ASSI { 1367}
   (( segid W   and resid 532   and name HB1 ))
   (( segid W   and resid 531   and name HA ))
      5.400     5.400     0.600 peak  1367 weight  0.10000E+01 volume  0.41042E-03 ppm1      2.472 ppm2      4.125 CV     1
 ASSI { 1369}
   (( segid W   and resid 532   and name HD1 ))
   (( segid W   and resid 531   and name HA ))
      2.100     1.100     1.100 peak  1369 weight  0.10000E+01 volume  0.73687E-02 ppm1      3.302 ppm2      4.129 CV     1
 ASSI { 1370}
   (( segid W   and resid 532   and name HD2 ))
   (( segid W   and resid 531   and name HA ))
      2.100     1.100     1.100 peak  1370 weight  0.10000E+01 volume  0.72362E-02 ppm1      2.869 ppm2      4.129 CV     1
 ASSI { 1372}
   (( segid W   and resid 531   and name HB2 ))
   (( segid W   and resid 531   and name HA ))
      2.300     1.300     1.300 peak  1372 weight  0.10000E+01 volume  0.52975E-02 ppm1      1.769 ppm2      4.128 CV     1
 OR { 1372}
   (( segid W   and resid 531   and name HG ))
   (( segid W   and resid 531   and name HA ))
 ASSI { 1373}
   (( segid W   and resid 531   and name HB1 ))
   (( segid W   and resid 531   and name HA ))
      2.900     2.000     2.000 peak  1373 weight  0.10000E+01 volume  0.32823E-02 ppm1      1.466 ppm2      4.130 CV     1
 ASSI { 1374}
   ( segid W   and resid 531   and name HD1%) 
   (( segid W   and resid 531   and name HA ))
      4.100     3.800     1.900 peak  1374 weight  0.10000E+01 volume  0.17731E-02 ppm1      1.069 ppm2      4.129 CV     1
 ASSI { 1395}
   (( segid W   and resid 533   and name HG2 ))
   (( segid W   and resid 533   and name HD2 ))
      2.400     1.400     1.400 peak  1395 weight  0.10000E+01 volume  0.62476E-02 ppm1      2.119 ppm2      3.624 CV     1
 OR { 1395}
   (( segid W   and resid 533   and name HG1 ))
   (( segid W   and resid 533   and name HD2 ))
 ASSI { 1396}
   (( segid W   and resid 532   and name HG1 ))
   (( segid W   and resid 533   and name HD2 ))
      4.500     4.400     1.500 peak  1396 weight  0.10000E+01 volume  0.82406E-03 ppm1      1.672 ppm2      3.622 CV     1
 ASSI { 1397}
   (( segid W   and resid 532   and name HG2 ))
   (( segid W   and resid 533   and name HD2 ))
      4.700     4.700     1.300 peak  1397 weight  0.10000E+01 volume  0.76373E-03 ppm1      1.371 ppm2      3.624 CV     1
 ASSI { 1400}
   (( segid W   and resid 549   and name HB2 ))
   (( segid W   and resid 549   and name HA ))
      2.600     1.700     1.700 peak  1400 weight  0.10000E+01 volume  0.27623E-02 ppm1      0.591 ppm2      3.475 CV     1
 ASSI { 1401}
   ( segid W   and resid 548   and name HG2%) 
   (( segid W   and resid 549   and name HA ))
      3.900     3.500     2.100 peak  1401 weight  0.10000E+01 volume  0.69334E-03 ppm1      0.170 ppm2      3.471 CV     1
 ASSI { 1404}
   (( segid W   and resid 534   and name HB2 ))
   (( segid W   and resid 549   and name HA ))
      3.400     2.700     2.600 peak  1404 weight  0.10000E+01 volume  0.33777E-02 ppm1      2.004 ppm2      3.494 CV     1
 ASSI { 1405}
   (( segid W   and resid 534   and name HB1 ))
   (( segid W   and resid 549   and name HA ))
      5.300     5.300     0.700 peak  1405 weight  0.10000E+01 volume  0.25592E-03 ppm1      2.407 ppm2      3.471 CV     1
 ASSI { 1406}
   (( segid W   and resid 550   and name HB2 ))
   (( segid W   and resid 549   and name HA ))
      5.200     5.200     0.800 peak  1406 weight  0.10000E+01 volume  0.88782E-03 ppm1      3.096 ppm2      3.476 CV     1
 ASSI { 1408}
   (( segid W   and resid 534   and name HA ))
   (( segid W   and resid 549   and name HA ))
      5.300     5.300     0.700 peak  1408 weight  0.10000E+01 volume  0.33610E-03 ppm1      4.051 ppm2      3.471 CV     1
 ASSI { 1414}
   (( segid W   and resid 535   and name HE3 ))
   (( segid W   and resid 549   and name HA ))
      3.500     2.700     2.500 peak  1414 weight  0.10000E+01 volume  0.63923E-03 ppm1      7.562 ppm2      3.485 CV     1
 ASSI { 1416}
   (( segid W   and resid 552   and name HN ))
   (( segid W   and resid 549   and name HA ))
      4.500     4.500     1.500 peak  1416 weight  0.10000E+01 volume  0.36619E-03 ppm1      6.973 ppm2      3.488 CV     1
 ASSI { 1417}
   (( segid W   and resid 550   and name HD2 ))
   (( segid W   and resid 549   and name HA ))
      3.800     3.200     2.200 peak  1417 weight  0.10000E+01 volume  0.73408E-03 ppm1      6.795 ppm2      3.472 CV     1
 ASSI { 1420}
   (( segid W   and resid 534   and name HN ))
   (( segid W   and resid 533   and name HD2 ))
      4.800     4.800     1.200 peak  1420 weight  0.10000E+01 volume  0.35057E-03 ppm1      8.912 ppm2      3.618 CV     1
 ASSI { 1422}
   (( segid W   and resid 522   and name HG1 ))
   (( segid W   and resid 522   and name HD2 ))
      2.500     1.500     1.500 peak  1422 weight  0.10000E+01 volume  0.32604E-02 ppm1      1.985 ppm2      3.552 CV     1
 ASSI { 1426}
   (( segid W   and resid 548   and name HA ))
   (( segid W   and resid 536   and name HB1 ))
      5.100     5.100     0.900 peak  1426 weight  0.10000E+01 volume  0.29153E-03 ppm1      4.226 ppm2      3.891 CV     1
 ASSI { 1431}
   (( segid W   and resid 562   and name HD22)) 
   (( segid W   and resid 561   and name HA ))
      5.200     5.200     0.800 peak  1431 weight  0.10000E+01 volume  0.29256E-03 ppm1      7.396 ppm2      3.847 CV     1
 ASSI { 1433}
   ( segid W   and resid 547   and name HE% )
   (( segid W   and resid 532   and name HD1 ))
      4.400     4.300     1.600 peak  1433 weight  0.10000E+01 volume  0.57674E-03 ppm1      7.298 ppm2      3.299 CV     1
 ASSI { 1435}
   (( segid W   and resid 561   and name HE ))
   (( segid W   and resid 532   and name HD1 ))
      4.300     4.200     1.700 peak  1435 weight  0.10000E+01 volume  0.30807E-03 ppm1      8.852 ppm2      3.293 CV     1
 ASSI { 1436}
   (( segid W   and resid 532   and name HA ))
   (( segid W   and resid 532   and name HD1 ))
      3.600     3.000     2.400 peak  1436 weight  0.10000E+01 volume  0.68381E-03 ppm1      4.722 ppm2      3.296 CV     1
 ASSI { 1439}
   (( segid W   and resid 532   and name HD2 ))
   (( segid W   and resid 532   and name HD1 ))
      1.600     0.700     0.700 peak  1439 weight  0.10000E+01 volume  0.11577E-01 ppm1      2.872 ppm2      3.299 CV     1
 ASSI { 1440}
   (( segid W   and resid 532   and name HB1 ))
   (( segid W   and resid 532   and name HD1 ))
      4.100     3.700     1.900 peak  1440 weight  0.10000E+01 volume  0.10369E-02 ppm1      2.451 ppm2      3.298 CV     1
 ASSI { 1441}
   (( segid W   and resid 532   and name HB2 ))
   (( segid W   and resid 532   and name HD1 ))
      3.800     3.200     2.200 peak  1441 weight  0.10000E+01 volume  0.13416E-02 ppm1      1.948 ppm2      3.299 CV     1
 ASSI { 1443}
   (( segid W   and resid 532   and name HG2 ))
   (( segid W   and resid 532   and name HD1 ))
      2.800     1.800     1.800 peak  1443 weight  0.10000E+01 volume  0.26356E-02 ppm1      1.384 ppm2      3.298 CV     1
 ASSI { 1444}
   (( segid W   and resid 561   and name HG2 ))
   (( segid W   and resid 532   and name HD1 ))
      3.100     2.200     2.200 peak  1444 weight  0.10000E+01 volume  0.95408E-03 ppm1      1.115 ppm2      3.295 CV     1
 ASSI { 1446}
   (( segid W   and resid 560   and name HG2 ))
   (( segid W   and resid 532   and name HD1 ))
      5.100     5.100     0.900 peak  1446 weight  0.10000E+01 volume  0.10282E-02 ppm1      0.573 ppm2      3.299 CV     1
 ASSI { 1447}
   (( segid W   and resid 560   and name HG1 ))
   (( segid W   and resid 532   and name HD1 ))
      3.900     3.500     2.100 peak  1447 weight  0.10000E+01 volume  0.84539E-03 ppm1      0.175 ppm2      3.299 CV     1
 ASSI { 1449}
   (( segid W   and resid 536   and name HN ))
   (( segid W   and resid 547   and name HB2 ))
      4.500     4.500     1.500 peak  1449 weight  0.10000E+01 volume  0.29015E-03 ppm1      9.622 ppm2      3.329 CV     1
 ASSI { 1450}
   (( segid W   and resid 536   and name HN ))
   (( segid W   and resid 547   and name HB1 ))
      6.000     6.000     0.000 peak  1450 weight  0.10000E+01 volume  0.25477E-03 ppm1      9.617 ppm2      3.167 CV     1
 ASSI { 1451}
   (( segid W   and resid 558   and name HA ))
   (( segid W   and resid 547   and name HB2 ))
      4.800     4.800     1.200 peak  1451 weight  0.10000E+01 volume  0.26396E-03 ppm1      3.822 ppm2      3.346 CV     1
 ASSI { 1452}
   (( segid W   and resid 553   and name HA ))
   (( segid W   and resid 552   and name HB2 ))
      5.900     5.900     0.100 peak  1452 weight  0.10000E+01 volume  0.24926E-03 ppm1      2.321 ppm2      3.415 CV     1
 ASSI { 1455}
   (( segid W   and resid 534   and name HN ))
   (( segid W   and resid 550   and name HB2 ))
      6.000     6.000     0.000 peak  1455 weight  0.10000E+01 volume  0.24926E-03 ppm1      8.940 ppm2      3.087 CV     1
 ASSI { 1456}
   (( segid W   and resid 550   and name HN ))
   (( segid W   and resid 550   and name HB2 ))
      3.500     2.800     2.500 peak  1456 weight  0.10000E+01 volume  0.26657E-02 ppm1      8.521 ppm2      3.102 CV     1
 ASSI { 1457}
   (( segid W   and resid 551   and name HN ))
   (( segid W   and resid 550   and name HB2 ))
      4.100     3.800     1.900 peak  1457 weight  0.10000E+01 volume  0.12295E-02 ppm1      8.314 ppm2      3.095 CV     1
 ASSI { 1458}
   (( segid W   and resid 553   and name HN ))
   (( segid W   and resid 550   and name HB2 ))
      5.100     5.100     0.900 peak  1458 weight  0.10000E+01 volume  0.27051E-03 ppm1      7.337 ppm2      3.106 CV     1
 ASSI { 1459}
   (( segid W   and resid 552   and name HN ))
   (( segid W   and resid 550   and name HB2 ))
      5.500     5.500     0.500 peak  1459 weight  0.10000E+01 volume  0.23709E-03 ppm1      6.976 ppm2      3.099 CV     1
 ASSI { 1461}
   ( segid W   and resid 551   and name HB% )
   (( segid W   and resid 550   and name HB2 ))
      5.300     5.300     0.700 peak  1461 weight  0.10000E+01 volume  0.61854E-03 ppm1      1.430 ppm2      3.103 CV     1
 ASSI { 1462}
   (( segid W   and resid 534   and name HG1 ))
   (( segid W   and resid 550   and name HB2 ))
      5.600     5.600     0.400 peak  1462 weight  0.10000E+01 volume  0.38377E-03 ppm1      1.642 ppm2      3.098 CV     1
 ASSI { 1464}
   (( segid W   and resid 534   and name HB2 ))
   (( segid W   and resid 550   and name HB2 ))
      5.400     5.400     0.600 peak  1464 weight  0.10000E+01 volume  0.12359E-02 ppm1      2.041 ppm2      3.098 CV     1
 ASSI { 1471}
   (( segid W   and resid 534   and name HA ))
   (( segid W   and resid 550   and name HB2 ))
      4.900     4.900     1.100 peak  1471 weight  0.10000E+01 volume  0.57789E-03 ppm1      4.027 ppm2      3.090 CV     1
 ASSI { 1472}
   (( segid W   and resid 535   and name HZ3 ))
   (( segid W   and resid 560   and name HD1 ))
      3.800     3.300     2.200 peak  1472 weight  0.10000E+01 volume  0.46257E-03 ppm1      6.836 ppm2      2.885 CV     1
 ASSI { 1490}
   (( segid W   and resid 560   and name HD2 ))
   (( segid W   and resid 560   and name HD1 ))
      1.800     0.900     0.900 peak  1490 weight  0.10000E+01 volume  0.71444E-02 ppm1      2.698 ppm2      2.881 CV     1
 ASSI { 1492}
   (( segid W   and resid 533   and name HD2 ))
   (( segid W   and resid 532   and name HD2 ))
      5.400     5.400     0.600 peak  1492 weight  0.10000E+01 volume  0.40249E-03 ppm1      3.569 ppm2      2.877 CV     1
 ASSI { 1506}
   (( segid W   and resid 562   and name HN ))
   (( segid W   and resid 562   and name HB1 ))
      4.100     3.700     1.900 peak  1506 weight  0.10000E+01 volume  0.98064E-03 ppm1      7.167 ppm2      2.800 CV     1
 ASSI { 1507}
   (( segid W   and resid 562   and name HD21)) 
   (( segid W   and resid 562   and name HB1 ))
      4.400     4.300     1.600 peak  1507 weight  0.10000E+01 volume  0.12163E-02 ppm1      6.748 ppm2      2.799 CV     1
 ASSI { 1510}
   (( segid W   and resid 564   and name HD2 ))
   (( segid W   and resid 562   and name HB1 ))
      5.200     5.200     0.800 peak  1510 weight  0.10000E+01 volume  0.23892E-03 ppm1      3.102 ppm2      2.805 CV     1
 ASSI { 1511}
   (( segid W   and resid 562   and name HB2 ))
   (( segid W   and resid 562   and name HB1 ))
      1.700     0.700     0.700 peak  1511 weight  0.10000E+01 volume  0.20900E-01 ppm1      2.671 ppm2      2.801 CV     1
 ASSI { 1512}
   (( segid W   and resid 564   and name HG1 ))
   (( segid W   and resid 562   and name HB1 ))
      4.000     3.600     2.000 peak  1512 weight  0.10000E+01 volume  0.63568E-03 ppm1      1.502 ppm2      2.810 CV     1
 ASSI { 1513}
   (( segid W   and resid 561   and name HG1 ))
   (( segid W   and resid 562   and name HB1 ))
      5.300     5.300     0.700 peak  1513 weight  0.10000E+01 volume  0.28418E-03 ppm1      1.724 ppm2      2.795 CV     1
 OR { 1513}
   (( segid W   and resid 561   and name HB1 ))
   (( segid W   and resid 562   and name HB1 ))
 ASSI { 1517}
   (( segid W   and resid 542   and name HN ))
   (( segid W   and resid 541   and name HB1 ))
      4.400     4.300     1.600 peak  1517 weight  0.10000E+01 volume  0.66759E-03 ppm1      8.055 ppm2      2.418 CV     1
 ASSI { 1519}
   (( segid W   and resid 532   and name HA ))
   (( segid W   and resid 533   and name HB1 ))
      4.900     4.900     1.100 peak  1519 weight  0.10000E+01 volume  0.79453E-03 ppm1      4.733 ppm2      2.431 CV     1
 ASSI { 1522}
   (( segid W   and resid 533   and name HD2 ))
   (( segid W   and resid 533   and name HB1 ))
      3.800     3.300     2.200 peak  1522 weight  0.10000E+01 volume  0.18803E-02 ppm1      3.622 ppm2      2.418 CV     1
 ASSI { 1523}
   (( segid W   and resid 534   and name HD1 ))
   (( segid W   and resid 533   and name HB1 ))
      4.800     4.800     1.200 peak  1523 weight  0.10000E+01 volume  0.39364E-03 ppm1      3.177 ppm2      2.417 CV     1
 ASSI { 1525}
   (( segid W   and resid 534   and name HA ))
   (( segid W   and resid 533   and name HB1 ))
      5.200     5.200     0.800 peak  1525 weight  0.10000E+01 volume  0.39319E-03 ppm1      4.027 ppm2      2.420 CV     1
 ASSI { 1526}
   (( segid W   and resid 535   and name HN ))
   (( segid W   and resid 533   and name HB1 ))
      5.500     5.500     0.500 peak  1526 weight  0.10000E+01 volume  0.27464E-03 ppm1      7.948 ppm2      2.416 CV     1
 ASSI { 1527}
   (( segid W   and resid 533   and name HG1 ))
   (( segid W   and resid 533   and name HB1 ))
      2.200     1.200     1.200 peak  1527 weight  0.10000E+01 volume  0.12124E-01 ppm1      2.116 ppm2      2.420 CV     1
 OR { 1527}
   (( segid W   and resid 533   and name HG2 ))
   (( segid W   and resid 533   and name HB1 ))
 ASSI { 1529}
   (( segid W   and resid 534   and name HG1 ))
   (( segid W   and resid 533   and name HB1 ))
      5.200     5.200     0.800 peak  1529 weight  0.10000E+01 volume  0.43189E-03 ppm1      1.661 ppm2      2.414 CV     1
 ASSI { 1530}
   (( segid W   and resid 534   and name HG2 ))
   (( segid W   and resid 533   and name HB1 ))
      4.100     3.800     1.900 peak  1530 weight  0.10000E+01 volume  0.33392E-03 ppm1      1.458 ppm2      2.427 CV     1
 ASSI { 1540}
   (( segid W   and resid 564   and name HG1 ))
   (( segid W   and resid 562   and name HB2 ))
      3.700     3.100     2.300 peak  1540 weight  0.10000E+01 volume  0.54608E-03 ppm1      1.509 ppm2      2.685 CV     1
 ASSI { 1564}
   ( segid W   and resid 555   and name HG2%) 
   (( segid W   and resid 546   and name HB2 ))
      5.000     5.000     1.000 peak  1564 weight  0.10000E+01 volume  0.39445E-03 ppm1      1.015 ppm2      2.573 CV     1
 ASSI { 1566}
   ( segid W   and resid 540   and name HB% )
   (( segid W   and resid 546   and name HB2 ))
      5.400     5.400     0.600 peak  1566 weight  0.10000E+01 volume  0.54745E-03 ppm1      1.888 ppm2      2.575 CV     1
 ASSI { 1568}
   (( segid P   and resid 229   and name HG ))
   (( segid W   and resid 546   and name HB2 ))
      5.000     5.000     1.000 peak  1568 weight  0.10000E+01 volume  0.30566E-03 ppm1      0.658 ppm2      2.572 CV     1
 ASSI { 1574}
   (( segid W   and resid 555   and name HB ))
   (( segid W   and resid 546   and name HB2 ))
      3.600     2.900     2.400 peak  1574 weight  0.10000E+01 volume  0.53447E-03 ppm1      4.184 ppm2      2.574 CV     1
 ASSI { 1575}
   (( segid W   and resid 545   and name HB ))
   (( segid W   and resid 546   and name HB2 ))
      4.900     4.900     1.100 peak  1575 weight  0.10000E+01 volume  0.29176E-03 ppm1      4.047 ppm2      2.580 CV     1
 ASSI { 1581}
   ( segid W   and resid 546   and name HD% )
   (( segid W   and resid 546   and name HB2 ))
      2.400     1.400     1.400 peak  1581 weight  0.10000E+01 volume  0.36076E-02 ppm1      7.038 ppm2      2.569 CV     1
 ASSI { 1582}
   ( segid W   and resid 546   and name HE% )
   (( segid W   and resid 546   and name HB2 ))
      4.400     4.300     1.600 peak  1582 weight  0.10000E+01 volume  0.76158E-03 ppm1      6.780 ppm2      2.580 CV     1
 ASSI { 1584}
   (( segid W   and resid 557   and name HE3 ))
   (( segid W   and resid 546   and name HB2 ))
      3.900     3.500     2.100 peak  1584 weight  0.10000E+01 volume  0.11944E-02 ppm1      8.224 ppm2      2.571 CV     1
 ASSI { 1587}
   ( segid P   and resid 229   and name HD2%) 
   (( segid W   and resid 546   and name HB2 ))
      4.400     4.300     1.600 peak  1587 weight  0.10000E+01 volume  0.90310E-03 ppm1     -0.911 ppm2      2.571 CV     1
 ASSI { 1592}
   (( segid W   and resid 557   and name HE3 ))
   (( segid W   and resid 544   and name HD2 ))
      4.500     4.500     1.500 peak  1592 weight  0.10000E+01 volume  0.33300E-03 ppm1      8.251 ppm2      2.437 CV     1
 ASSI { 1595}
   (( segid W   and resid 542   and name HD22)) 
   (( segid W   and resid 544   and name HD2 ))
      4.200     3.900     1.800 peak  1595 weight  0.10000E+01 volume  0.35126E-03 ppm1      7.558 ppm2      2.432 CV     1
 ASSI { 1596}
   (( segid W   and resid 557   and name HZ2 ))
   (( segid W   and resid 544   and name HD2 ))
      4.900     4.900     1.100 peak  1596 weight  0.10000E+01 volume  0.23548E-03 ppm1      7.143 ppm2      2.432 CV     1
 ASSI { 1597}
   (( segid W   and resid 557   and name HH2 ))
   (( segid W   and resid 544   and name HD2 ))
      4.400     4.300     1.600 peak  1597 weight  0.10000E+01 volume  0.56721E-03 ppm1      6.969 ppm2      2.440 CV     1
 ASSI { 1609}
   (( segid W   and resid 544   and name HB1 ))
   (( segid W   and resid 544   and name HD2 ))
      3.000     2.100     2.100 peak  1609 weight  0.10000E+01 volume  0.17279E-02 ppm1      1.916 ppm2      2.437 CV     1
 ASSI { 1610}
   (( segid W   and resid 544   and name HG1 ))
   (( segid W   and resid 544   and name HD2 ))
      2.600     1.600     1.600 peak  1610 weight  0.10000E+01 volume  0.53057E-02 ppm1      1.488 ppm2      2.437 CV     1
 OR { 1610}
   (( segid W   and resid 544   and name HB2 ))
   (( segid W   and resid 544   and name HD2 ))
 ASSI { 1611}
   (( segid W   and resid 544   and name HD1 ))
   (( segid W   and resid 544   and name HD2 ))
      1.900     0.900     0.900 peak  1611 weight  0.10000E+01 volume  0.74350E-02 ppm1      1.303 ppm2      2.435 CV     1
 ASSI { 1619}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 560   and name HD2 ))
      3.000     2.000     2.000 peak  1619 weight  0.10000E+01 volume  0.13066E-02 ppm1      7.094 ppm2      2.697 CV     1
 ASSI { 1620}
   (( segid W   and resid 535   and name HE3 ))
   (( segid W   and resid 560   and name HD2 ))
      4.300     4.200     1.700 peak  1620 weight  0.10000E+01 volume  0.45889E-03 ppm1      7.568 ppm2      2.694 CV     1
 ASSI { 1621}
   ( segid W   and resid 547   and name HE% )
   (( segid W   and resid 560   and name HD2 ))
      3.600     3.000     2.400 peak  1621 weight  0.10000E+01 volume  0.50185E-03 ppm1      7.315 ppm2      2.693 CV     1
 ASSI { 1625}
   (( segid W   and resid 547   and name HB1 ))
   (( segid W   and resid 560   and name HD2 ))
      3.900     3.400     2.100 peak  1625 weight  0.10000E+01 volume  0.69160E-03 ppm1      3.173 ppm2      2.687 CV     1
 ASSI { 1628}
   (( segid W   and resid 559   and name HA ))
   (( segid W   and resid 560   and name HD2 ))
      2.300     1.300     1.300 peak  1628 weight  0.10000E+01 volume  0.39884E-02 ppm1      2.332 ppm2      2.699 CV     1
 ASSI { 1629}
   (( segid W   and resid 559   and name HB2 ))
   (( segid W   and resid 560   and name HD2 ))
      3.900     3.500     2.100 peak  1629 weight  0.10000E+01 volume  0.48118E-03 ppm1      2.130 ppm2      2.703 CV     1
 ASSI { 1631}
   (( segid W   and resid 560   and name HB1 ))
   (( segid W   and resid 560   and name HD2 ))
      3.700     3.100     2.300 peak  1631 weight  0.10000E+01 volume  0.18757E-02 ppm1      0.866 ppm2      2.699 CV     1
 ASSI { 1632}
   (( segid W   and resid 560   and name HG2 ))
   (( segid W   and resid 560   and name HD2 ))
      3.000     2.100     2.100 peak  1632 weight  0.10000E+01 volume  0.17779E-02 ppm1      0.579 ppm2      2.702 CV     1
 ASSI { 1633}
   (( segid W   and resid 560   and name HG1 ))
   (( segid W   and resid 560   and name HD2 ))
      2.400     1.400     1.400 peak  1633 weight  0.10000E+01 volume  0.19963E-02 ppm1      0.170 ppm2      2.697 CV     1
 ASSI { 1634}
   (( segid W   and resid 535   and name HD1 ))
   (( segid W   and resid 534   and name HB1 ))
      4.700     4.700     1.300 peak  1634 weight  0.10000E+01 volume  0.27258E-03 ppm1      7.287 ppm2      2.402 CV     1
 ASSI { 1635}
   (( segid W   and resid 534   and name HN ))
   (( segid W   and resid 534   and name HB1 ))
      4.300     4.100     1.700 peak  1635 weight  0.10000E+01 volume  0.67532E-03 ppm1      8.909 ppm2      2.373 CV     1
 ASSI { 1636}
   (( segid W   and resid 535   and name HN ))
   (( segid W   and resid 534   and name HB1 ))
      4.600     4.600     1.400 peak  1636 weight  0.10000E+01 volume  0.37952E-03 ppm1      7.919 ppm2      2.402 CV     1
 ASSI { 1641}
   (( segid W   and resid 534   and name HB2 ))
   (( segid W   and resid 534   and name HB1 ))
      1.800     0.900     0.900 peak  1641 weight  0.10000E+01 volume  0.52720E-02 ppm1      2.029 ppm2      2.391 CV     1
 ASSI { 1642}
   (( segid W   and resid 534   and name HG1 ))
   (( segid W   and resid 534   and name HB1 ))
      2.500     1.500     1.500 peak  1642 weight  0.10000E+01 volume  0.27050E-02 ppm1      1.652 ppm2      2.385 CV     1
 ASSI { 1643}
   (( segid W   and resid 534   and name HG2 ))
   (( segid W   and resid 534   and name HB1 ))
      3.000     2.100     2.100 peak  1643 weight  0.10000E+01 volume  0.27831E-02 ppm1      1.467 ppm2      2.387 CV     1
 ASSI { 1653}
   (( segid W   and resid 533   and name HD1 ))
   (( segid W   and resid 532   and name HB1 ))
      3.100     2.200     2.200 peak  1653 weight  0.10000E+01 volume  0.27895E-02 ppm1      3.872 ppm2      2.453 CV     1
 ASSI { 1654}
   (( segid W   and resid 533   and name HD2 ))
   (( segid W   and resid 532   and name HB1 ))
      2.200     1.200     1.200 peak  1654 weight  0.10000E+01 volume  0.32594E-02 ppm1      3.623 ppm2      2.452 CV     1
 ASSI { 1656}
   (( segid W   and resid 532   and name HD2 ))
   (( segid W   and resid 532   and name HB1 ))
      4.000     3.700     2.000 peak  1656 weight  0.10000E+01 volume  0.10101E-02 ppm1      2.868 ppm2      2.453 CV     1
 ASSI { 1657}
   (( segid W   and resid 533   and name HG2 ))
   (( segid W   and resid 532   and name HB1 ))
      5.000     5.000     1.000 peak  1657 weight  0.10000E+01 volume  0.59110E-03 ppm1      2.104 ppm2      2.458 CV     1
 OR { 1657}
   (( segid W   and resid 533   and name HG1 ))
   (( segid W   and resid 532   and name HB1 ))
 ASSI { 1658}
   (( segid W   and resid 532   and name HB2 ))
   (( segid W   and resid 532   and name HB1 ))
      1.600     0.700     0.700 peak  1658 weight  0.10000E+01 volume  0.13489E-01 ppm1      1.950 ppm2      2.453 CV     1
 ASSI { 1659}
   (( segid W   and resid 532   and name HG1 ))
   (( segid W   and resid 532   and name HB1 ))
      2.200     1.200     1.200 peak  1659 weight  0.10000E+01 volume  0.42949E-02 ppm1      1.671 ppm2      2.452 CV     1
 ASSI { 1660}
   (( segid W   and resid 560   and name HB1 ))
   (( segid W   and resid 532   and name HB1 ))
      5.600     5.600     0.400 peak  1660 weight  0.10000E+01 volume  0.38928E-03 ppm1      0.866 ppm2      2.457 CV     1
 ASSI { 1661}
   (( segid W   and resid 532   and name HG2 ))
   (( segid W   and resid 532   and name HB1 ))
      2.600     1.600     1.600 peak  1661 weight  0.10000E+01 volume  0.29811E-02 ppm1      1.374 ppm2      2.452 CV     1
 ASSI { 1664}
   (( segid W   and resid 538   and name HN ))
   (( segid W   and resid 537   and name HG1 ))
      3.900     3.400     2.100 peak  1664 weight  0.10000E+01 volume  0.98546E-03 ppm1      8.070 ppm2      2.155 CV     1
 ASSI { 1666}
   ( segid W   and resid 547   and name HE% )
   (( segid W   and resid 537   and name HG2 ))
      3.500     2.900     2.500 peak  1666 weight  0.10000E+01 volume  0.60935E-03 ppm1      7.311 ppm2      2.273 CV     1
 ASSI { 1668}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 537   and name HG2 ))
      4.000     3.600     2.000 peak  1668 weight  0.10000E+01 volume  0.62301E-03 ppm1      7.087 ppm2      2.273 CV     1
 ASSI { 1669}
   ( segid W   and resid 547   and name HE% )
   (( segid W   and resid 537   and name HG1 ))
      3.500     2.700     2.500 peak  1669 weight  0.10000E+01 volume  0.66015E-03 ppm1      7.306 ppm2      2.158 CV     1
 ASSI { 1670}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 537   and name HG1 ))
      3.500     2.700     2.500 peak  1670 weight  0.10000E+01 volume  0.55090E-03 ppm1      7.082 ppm2      2.161 CV     1
 ASSI { 1671}
   (( segid W   and resid 537   and name HA ))
   (( segid W   and resid 537   and name HG2 ))
      3.600     2.900     2.400 peak  1671 weight  0.10000E+01 volume  0.12507E-02 ppm1      5.113 ppm2      2.273 CV     1
 ASSI { 1673}
   (( segid W   and resid 536   and name HA ))
   (( segid W   and resid 537   and name HG2 ))
      5.000     5.000     1.000 peak  1673 weight  0.10000E+01 volume  0.26201E-03 ppm1      4.959 ppm2      2.268 CV     1
 ASSI { 1674}
   (( segid W   and resid 536   and name HA ))
   (( segid W   and resid 537   and name HG1 ))
      5.400     5.400     0.600 peak  1674 weight  0.10000E+01 volume  0.32932E-03 ppm1      4.963 ppm2      2.163 CV     1
 ASSI { 1678}
   (( segid W   and resid 536   and name HB1 ))
   (( segid W   and resid 537   and name HG1 ))
      5.300     5.300     0.700 peak  1678 weight  0.10000E+01 volume  0.39434E-03 ppm1      3.902 ppm2      2.152 CV     1
 ASSI { 1679}
   ( segid W   and resid 531   and name HD2%) 
   (( segid W   and resid 537   and name HG2 ))
      2.700     1.700     1.700 peak  1679 weight  0.10000E+01 volume  0.17119E-02 ppm1      0.837 ppm2      2.269 CV     1
 ASSI { 1680}
   ( segid W   and resid 531   and name HD2%) 
   (( segid W   and resid 537   and name HG1 ))
      3.900     3.400     2.100 peak  1680 weight  0.10000E+01 volume  0.19564E-02 ppm1      0.832 ppm2      2.162 CV     1
 ASSI { 1682}
   ( segid W   and resid 531   and name HD1%) 
   (( segid W   and resid 537   and name HG1 ))
      4.700     4.700     1.300 peak  1682 weight  0.10000E+01 volume  0.15430E-02 ppm1      1.048 ppm2      2.161 CV     1
 ASSI { 1683}
   (( segid W   and resid 537   and name HB1 ))
   (( segid W   and resid 537   and name HG2 ))
      2.400     1.400     1.400 peak  1683 weight  0.10000E+01 volume  0.31428E-02 ppm1      1.673 ppm2      2.272 CV     1
 ASSI { 1685}
   (( segid W   and resid 537   and name HB2 ))
   (( segid W   and resid 537   and name HG2 ))
      3.100     2.200     2.200 peak  1685 weight  0.10000E+01 volume  0.27946E-02 ppm1      1.895 ppm2      2.274 CV     1
 ASSI { 1686}
   (( segid W   and resid 537   and name HB2 ))
   (( segid W   and resid 537   and name HG1 ))
      2.500     1.500     1.500 peak  1686 weight  0.10000E+01 volume  0.47837E-02 ppm1      1.903 ppm2      2.158 CV     1
 ASSI { 1687}
   (( segid W   and resid 537   and name HG1 ))
   (( segid W   and resid 537   and name HG2 ))
      1.500     0.600     0.700 peak  1687 weight  0.10000E+01 volume  0.21061E-01 ppm1      2.161 ppm2      2.271 CV     1
 ASSI { 1690}
   (( segid W   and resid 527   and name HN ))
   (( segid W   and resid 528   and name HB1 ))
      4.100     3.800     1.900 peak  1690 weight  0.10000E+01 volume  0.95727E-03 ppm1      8.222 ppm2      2.030 CV     1
 ASSI { 1691}
   (( segid W   and resid 528   and name HG2 ))
   (( segid W   and resid 528   and name HB1 ))
      2.500     1.500     1.500 peak  1691 weight  0.10000E+01 volume  0.13950E-01 ppm1      2.208 ppm2      2.023 CV     1
 ASSI { 1692}
   (( segid W   and resid 528   and name HB2 ))
   (( segid W   and resid 528   and name HB1 ))
      1.600     0.700     0.700 peak  1692 weight  0.10000E+01 volume  0.27495E-01 ppm1      1.867 ppm2      2.024 CV     1
 ASSI { 1693}
   (( segid W   and resid 528   and name HA ))
   (( segid W   and resid 528   and name HB1 ))
      2.900     2.000     2.000 peak  1693 weight  0.10000E+01 volume  0.32727E-02 ppm1      4.284 ppm2      2.028 CV     1
 ASSI { 1698}
   (( segid W   and resid 534   and name HN ))
   (( segid W   and resid 533   and name HG1 ))
      5.000     5.000     1.000 peak  1698 weight  0.10000E+01 volume  0.59383E-03 ppm1      8.905 ppm2      2.126 CV     1
 ASSI { 1700}
   (( segid W   and resid 542   and name HN ))
   (( segid W   and resid 541   and name HG2 ))
      3.700     3.100     2.300 peak  1700 weight  0.10000E+01 volume  0.38756E-03 ppm1      8.051 ppm2      2.062 CV     1
 ASSI { 1705}
   (( segid W   and resid 533   and name HA ))
   (( segid W   and resid 533   and name HG1 ))
      3.200     2.400     2.400 peak  1705 weight  0.10000E+01 volume  0.24343E-02 ppm1      4.456 ppm2      2.141 CV     1
 ASSI { 1706}
   (( segid W   and resid 533   and name HA ))
   (( segid W   and resid 533   and name HG2 ))
      3.800     3.200     2.200 peak  1706 weight  0.10000E+01 volume  0.18819E-02 ppm1      4.457 ppm2      2.083 CV     1
 ASSI { 1709}
   (( segid W   and resid 533   and name HD2 ))
   (( segid W   and resid 533   and name HG1 ))
      2.900     2.000     2.000 peak  1709 weight  0.10000E+01 volume  0.40743E-02 ppm1      3.622 ppm2      2.138 CV     1
 ASSI { 1710}
   (( segid W   and resid 533   and name HD2 ))
   (( segid W   and resid 533   and name HG2 ))
      2.400     1.400     1.400 peak  1710 weight  0.10000E+01 volume  0.35396E-02 ppm1      3.622 ppm2      2.084 CV     1
 ASSI { 1715}
   (( segid W   and resid 534   and name HG2 ))
   (( segid W   and resid 533   and name HG1 ))
      5.200     5.200     0.800 peak  1715 weight  0.10000E+01 volume  0.29992E-03 ppm1      1.450 ppm2      2.159 CV     1
 ASSI { 1722}
   (( segid W   and resid 535   and name HD1 ))
   (( segid W   and resid 533   and name HG2 ))
      5.200     5.200     0.800 peak  1722 weight  0.10000E+01 volume  0.24846E-03 ppm1      7.293 ppm2      2.061 CV     1
 ASSI { 1724}
   (( segid W   and resid 534   and name HN ))
   (( segid W   and resid 534   and name HB2 ))
      4.000     3.600     2.000 peak  1724 weight  0.10000E+01 volume  0.50162E-03 ppm1      8.903 ppm2      2.026 CV     1
 ASSI { 1725}
   (( segid W   and resid 551   and name HN ))
   (( segid W   and resid 534   and name HB2 ))
      4.200     3.900     1.800 peak  1725 weight  0.10000E+01 volume  0.50185E-03 ppm1      8.330 ppm2      2.047 CV     1
 ASSI { 1731}
   (( segid W   and resid 534   and name HG1 ))
   (( segid W   and resid 534   and name HB2 ))
      2.600     1.600     1.600 peak  1731 weight  0.10000E+01 volume  0.28905E-02 ppm1      1.650 ppm2      2.038 CV     1
 ASSI { 1732}
   (( segid W   and resid 534   and name HG2 ))
   (( segid W   and resid 534   and name HB2 ))
      2.700     1.700     1.700 peak  1732 weight  0.10000E+01 volume  0.25448E-02 ppm1      1.467 ppm2      2.036 CV     1
 ASSI { 1736}
   (( segid W   and resid 561   and name HE ))
   (( segid W   and resid 559   and name HA ))
      5.100     5.100     0.900 peak  1736 weight  0.10000E+01 volume  0.30578E-03 ppm1      8.867 ppm2      2.339 CV     1
 ASSI { 1739}
   ( segid W   and resid 547   and name HE% )
   (( segid W   and resid 559   and name HA ))
      3.700     3.100     2.300 peak  1739 weight  0.10000E+01 volume  0.15914E-02 ppm1      7.311 ppm2      2.332 CV     1
 ASSI { 1740}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 559   and name HA ))
      3.300     2.500     2.500 peak  1740 weight  0.10000E+01 volume  0.15222E-02 ppm1      7.095 ppm2      2.334 CV     1
 ASSI { 1746}
   (( segid W   and resid 560   and name HD1 ))
   (( segid W   and resid 559   and name HA ))
      2.300     1.300     1.300 peak  1746 weight  0.10000E+01 volume  0.62075E-02 ppm1      2.883 ppm2      2.333 CV     1
 ASSI { 1749}
   (( segid W   and resid 559   and name HB2 ))
   (( segid W   and resid 559   and name HA ))
      2.900     1.900     1.900 peak  1749 weight  0.10000E+01 volume  0.27954E-02 ppm1      2.136 ppm2      2.337 CV     1
 ASSI { 1753}
   (( segid W   and resid 560   and name HG1 ))
   (( segid W   and resid 559   and name HA ))
      4.400     4.200     1.600 peak  1753 weight  0.10000E+01 volume  0.11096E-02 ppm1      0.170 ppm2      2.330 CV     1
 ASSI { 1754}
   (( segid W   and resid 561   and name HE ))
   (( segid W   and resid 559   and name HB2 ))
      4.700     4.700     1.300 peak  1754 weight  0.10000E+01 volume  0.24639E-03 ppm1      8.862 ppm2      2.140 CV     1
 ASSI { 1757}
   (( segid W   and resid 564   and name HN ))
   (( segid W   and resid 559   and name HB2 ))
      3.300     2.500     2.500 peak  1757 weight  0.10000E+01 volume  0.13109E-02 ppm1      8.146 ppm2      2.145 CV     1
 ASSI { 1758}
   (( segid W   and resid 559   and name HN ))
   (( segid W   and resid 559   and name HB2 ))
      2.500     1.500     1.500 peak  1758 weight  0.10000E+01 volume  0.46770E-02 ppm1      7.925 ppm2      2.129 CV     1
 ASSI { 1759}
   ( segid W   and resid 547   and name HE% )
   (( segid W   and resid 559   and name HB2 ))
      3.300     2.400     2.400 peak  1759 weight  0.10000E+01 volume  0.25308E-02 ppm1      7.307 ppm2      2.133 CV     1
 ASSI { 1760}
   (( segid W   and resid 562   and name HD21)) 
   (( segid W   and resid 559   and name HB2 ))
      4.500     4.500     1.500 peak  1760 weight  0.10000E+01 volume  0.35069E-03 ppm1      6.749 ppm2      2.124 CV     1
 ASSI { 1761}
   (( segid W   and resid 562   and name HN ))
   (( segid W   and resid 559   and name HB2 ))
      3.300     2.500     2.500 peak  1761 weight  0.10000E+01 volume  0.99511E-03 ppm1      7.143 ppm2      2.128 CV     1
 ASSI { 1768}
   (( segid W   and resid 559   and name HB1 ))
   (( segid W   and resid 559   and name HB2 ))
      1.800     0.800     0.800 peak  1768 weight  0.10000E+01 volume  0.11259E-01 ppm1      3.092 ppm2      2.130 CV     1
 ASSI { 1774}
   (( segid W   and resid 561   and name HE ))
   (( segid W   and resid 528   and name HG2 ))
      5.600     5.600     0.400 peak  1774 weight  0.10000E+01 volume  0.25902E-03 ppm1      8.868 ppm2      2.214 CV     1
 ASSI { 1776}
   (( segid W   and resid 529   and name HN ))
   (( segid W   and resid 529   and name HG1 ))
      3.500     2.800     2.500 peak  1776 weight  0.10000E+01 volume  0.31179E-02 ppm1      8.525 ppm2      2.268 CV     1
 ASSI { 1777}
   (( segid W   and resid 561   and name HH21)) 
   (( segid W   and resid 529   and name HG1 ))
      4.800     4.800     1.200 peak  1777 weight  0.10000E+01 volume  0.55377E-03 ppm1      7.055 ppm2      2.273 CV     1
 ASSI { 1779}
   (( segid W   and resid 530   and name HD1 ))
   (( segid W   and resid 529   and name HG1 ))
      3.600     2.900     2.400 peak  1779 weight  0.10000E+01 volume  0.20490E-02 ppm1      3.785 ppm2      2.267 CV     1
 ASSI { 1780}
   (( segid W   and resid 530   and name HD2 ))
   (( segid W   and resid 529   and name HG1 ))
      2.600     1.600     1.600 peak  1780 weight  0.10000E+01 volume  0.29843E-02 ppm1      3.657 ppm2      2.266 CV     1
 ASSI { 1781}
   (( segid W   and resid 561   and name HD1 ))
   (( segid W   and resid 529   and name HG1 ))
      4.000     3.600     2.000 peak  1781 weight  0.10000E+01 volume  0.16009E-02 ppm1      2.841 ppm2      2.269 CV     1
 OR { 1781}
   (( segid W   and resid 561   and name HD2 ))
   (( segid W   and resid 529   and name HG1 ))
 ASSI { 1782}
   (( segid W   and resid 529   and name HB2 ))
   (( segid W   and resid 529   and name HG1 ))
      2.400     1.400     1.400 peak  1782 weight  0.10000E+01 volume  0.15461E-01 ppm1      1.951 ppm2      2.267 CV     1
 ASSI { 1788}
   ( segid P   and resid 232   and name HD% )
   (( segid W   and resid 553   and name HA ))
      3.400     2.600     2.600 peak  1788 weight  0.10000E+01 volume  0.63132E-03 ppm1      6.673 ppm2      2.304 CV     1
 ASSI { 1791}
   (( segid W   and resid 553   and name HD1 ))
   (( segid W   and resid 553   and name HA ))
      3.800     3.300     2.200 peak  1791 weight  0.10000E+01 volume  0.46050E-03 ppm1      2.890 ppm2      2.309 CV     1
 ASSI { 1792}
   (( segid W   and resid 553   and name HD2 ))
   (( segid W   and resid 553   and name HA ))
      4.100     3.800     1.900 peak  1792 weight  0.10000E+01 volume  0.55572E-03 ppm1      3.062 ppm2      2.300 CV     1
 ASSI { 1793}
   (( segid W   and resid 553   and name HB2 ))
   (( segid W   and resid 553   and name HA ))
      2.600     1.600     1.600 peak  1793 weight  0.10000E+01 volume  0.22112E-02 ppm1      1.640 ppm2      2.300 CV     1
 ASSI { 1795}
   (( segid W   and resid 553   and name HG2 ))
   (( segid W   and resid 553   and name HA ))
      3.600     3.000     2.400 peak  1795 weight  0.10000E+01 volume  0.17345E-02 ppm1      0.989 ppm2      2.304 CV     1
 ASSI { 1796}
   (( segid W   and resid 553   and name HG1 ))
   (( segid W   and resid 553   and name HA ))
      2.900     2.000     2.000 peak  1796 weight  0.10000E+01 volume  0.21573E-02 ppm1      0.745 ppm2      2.305 CV     1
 ASSI { 1797}
   (( segid W   and resid 553   and name HB1 ))
   (( segid W   and resid 553   and name HA ))
      3.100     2.300     2.300 peak  1797 weight  0.10000E+01 volume  0.24533E-02 ppm1      0.814 ppm2      2.302 CV     1
 ASSI { 1803}
   (( segid W   and resid 565   and name HN ))
   (( segid W   and resid 564   and name HB2 ))
      3.800     3.300     2.200 peak  1803 weight  0.10000E+01 volume  0.34012E-03 ppm1      8.593 ppm2      1.786 CV     1
 ASSI { 1805}
   (( segid W   and resid 564   and name HD2 ))
   (( segid W   and resid 564   and name HB2 ))
      3.200     2.300     2.300 peak  1805 weight  0.10000E+01 volume  0.15881E-02 ppm1      3.135 ppm2      1.784 CV     1
 ASSI { 1806}
   (( segid W   and resid 564   and name HG1 ))
   (( segid W   and resid 564   and name HB2 ))
      2.500     1.600     1.600 peak  1806 weight  0.10000E+01 volume  0.98750E-02 ppm1      1.501 ppm2      1.781 CV     1
 ASSI { 1822}
   (( segid W   and resid 538   and name HN ))
   (( segid W   and resid 538   and name HG1 ))
      4.700     4.700     1.300 peak  1822 weight  0.10000E+01 volume  0.43282E-03 ppm1      8.056 ppm2      2.116 CV     1
 OR { 1822}
   (( segid W   and resid 538   and name HN ))
   (( segid W   and resid 538   and name HG2 ))
 ASSI { 1826}
   (( segid W   and resid 546   and name HZ ))
   (( segid W   and resid 538   and name HG2 ))
      4.000     3.700     2.000 peak  1826 weight  0.10000E+01 volume  0.60348E-03 ppm1      7.012 ppm2      2.103 CV     1
 OR { 1826}
   (( segid W   and resid 546   and name HZ ))
   (( segid W   and resid 538   and name HG1 ))
 ASSI { 1827}
   ( segid W   and resid 546   and name HE% )
   (( segid W   and resid 538   and name HG2 ))
      4.200     4.000     1.800 peak  1827 weight  0.10000E+01 volume  0.52172E-03 ppm1      6.762 ppm2      2.104 CV     1
 OR { 1827}
   ( segid W   and resid 546   and name HE% )
   (( segid W   and resid 538   and name HG1 ))
 ASSI { 1833}
   (( segid W   and resid 538   and name HB1 ))
   (( segid W   and resid 538   and name HG2 ))
      2.900     2.000     2.000 peak  1833 weight  0.10000E+01 volume  0.21971E-02 ppm1      1.334 ppm2      2.106 CV     1
 OR { 1833}
   (( segid W   and resid 538   and name HB1 ))
   (( segid W   and resid 538   and name HG1 ))
 ASSI { 1834}
   (( segid W   and resid 538   and name HB2 ))
   (( segid W   and resid 538   and name HG1 ))
      3.000     2.100     2.100 peak  1834 weight  0.10000E+01 volume  0.18329E-02 ppm1      1.112 ppm2      2.105 CV     1
 OR { 1834}
   (( segid W   and resid 538   and name HB2 ))
   (( segid W   and resid 538   and name HG2 ))
 ASSI { 1835}
   (( segid W   and resid 548   and name HG12)) 
   (( segid W   and resid 538   and name HG2 ))
      5.200     5.200     0.800 peak  1835 weight  0.10000E+01 volume  0.24823E-03 ppm1      0.564 ppm2      2.096 CV     1
 OR { 1835}
   (( segid W   and resid 548   and name HG12)) 
   (( segid W   and resid 538   and name HG1 ))
 ASSI { 1840}
   (( segid W   and resid 558   and name HG12)) 
   (( segid W   and resid 558   and name HB ))
      2.900     1.900     1.900 peak  1840 weight  0.10000E+01 volume  0.24519E-02 ppm1      1.251 ppm2      1.922 CV     1
 ASSI { 1841}
   ( segid W   and resid 531   and name HD1%) 
   (( segid W   and resid 537   and name HB2 ))
      4.500     4.400     1.500 peak  1841 weight  0.10000E+01 volume  0.14914E-02 ppm1      1.052 ppm2      1.897 CV     1
 ASSI { 1842}
   (( segid W   and resid 537   and name HB1 ))
   (( segid W   and resid 537   and name HB2 ))
      1.800     0.800     0.800 peak  1842 weight  0.10000E+01 volume  0.10987E-01 ppm1      1.667 ppm2      1.899 CV     1
 ASSI { 1855}
   ( segid W   and resid 547   and name HE% )
   (( segid W   and resid 537   and name HB2 ))
      4.600     4.600     1.400 peak  1855 weight  0.10000E+01 volume  0.79674E-03 ppm1      7.304 ppm2      1.896 CV     1
 ASSI { 1858}
   (( segid W   and resid 538   and name HN ))
   (( segid W   and resid 537   and name HB2 ))
      3.300     2.500     2.500 peak  1858 weight  0.10000E+01 volume  0.11731E-02 ppm1      8.069 ppm2      1.894 CV     1
 ASSI { 1862}
   (( segid W   and resid 535   and name HE1 ))
   (( segid W   and resid 549   and name HB1 ))
      4.800     4.800     1.200 peak  1862 weight  0.10000E+01 volume  0.35884E-03 ppm1     10.128 ppm2      2.057 CV     1
 ASSI { 1867}
   (( segid W   and resid 552   and name HN ))
   (( segid W   and resid 549   and name HB1 ))
      3.800     3.300     2.200 peak  1867 weight  0.10000E+01 volume  0.37067E-03 ppm1      6.985 ppm2      2.077 CV     1
 ASSI { 1868}
   (( segid W   and resid 554   and name HN ))
   (( segid W   and resid 549   and name HB1 ))
      2.800     1.800     1.800 peak  1868 weight  0.10000E+01 volume  0.18572E-02 ppm1      7.426 ppm2      2.056 CV     1
 ASSI { 1870}
   (( segid W   and resid 535   and name HZ3 ))
   (( segid W   and resid 549   and name HB1 ))
      5.200     5.200     0.800 peak  1870 weight  0.10000E+01 volume  0.41696E-03 ppm1      6.839 ppm2      2.042 CV     1
 ASSI { 1871}
   (( segid W   and resid 535   and name HA ))
   (( segid W   and resid 549   and name HB1 ))
      5.700     5.700     0.300 peak  1871 weight  0.10000E+01 volume  0.26258E-03 ppm1      6.235 ppm2      2.056 CV     1
 ASSI { 1874}
   (( segid W   and resid 549   and name HA ))
   (( segid W   and resid 549   and name HB1 ))
      3.100     2.200     2.200 peak  1874 weight  0.10000E+01 volume  0.22972E-02 ppm1      3.473 ppm2      2.059 CV     1
 ASSI { 1875}
   (( segid W   and resid 554   and name HA ))
   (( segid W   and resid 549   and name HB1 ))
      5.000     5.000     1.000 peak  1875 weight  0.10000E+01 volume  0.28131E-03 ppm1      4.946 ppm2      2.087 CV     1
 ASSI { 1881}
   ( segid W   and resid 548   and name HG2%) 
   (( segid W   and resid 549   and name HB1 ))
      4.800     4.800     1.200 peak  1881 weight  0.10000E+01 volume  0.39031E-03 ppm1      0.166 ppm2      2.074 CV     1
 ASSI { 1882}
   (( segid W   and resid 549   and name HB2 ))
   (( segid W   and resid 549   and name HB1 ))
      1.900     0.900     0.900 peak  1882 weight  0.10000E+01 volume  0.72037E-02 ppm1      0.589 ppm2      2.055 CV     1
 ASSI { 1887}
   (( segid W   and resid 561   and name HE ))
   ( segid W   and resid 537   and name HE% )
      4.600     4.600     1.400 peak  1887 weight  0.10000E+01 volume  0.47095E-03 ppm1      8.855 ppm2      2.082 CV     1
 ASSI { 1895}
   ( segid W   and resid 547   and name HE% )
   ( segid W   and resid 537   and name HE% )
      2.800     2.800     3.200 peak  1895 weight  0.10000E+01 volume  0.49193E-02 ppm1      7.307 ppm2      2.077 CV     1
 ASSI { 1896}
   (( segid W   and resid 561   and name HH21)) 
   ( segid W   and resid 537   and name HE% )
      3.100     2.200     2.200 peak  1896 weight  0.10000E+01 volume  0.34732E-02 ppm1      7.062 ppm2      2.078 CV     1
 ASSI { 1898}
   (( segid W   and resid 537   and name HA ))
   ( segid W   and resid 537   and name HE% )
      4.100     3.800     1.900 peak  1898 weight  0.10000E+01 volume  0.16216E-02 ppm1      5.116 ppm2      2.080 CV     1
 ASSI { 1918}
   (( segid P   and resid 230   and name HG2 ))
   ( segid W   and resid 540   and name HB% )
      3.100     2.200     2.200 peak  1918 weight  0.10000E+01 volume  0.34926E-02 ppm1      1.502 ppm2      1.882 CV     1
 ASSI { 1923}
   (( segid W   and resid 541   and name HB1 ))
   ( segid W   and resid 540   and name HB% )
      4.300     4.100     1.700 peak  1923 weight  0.10000E+01 volume  0.14388E-02 ppm1      2.425 ppm2      1.893 CV     1
 ASSI { 1927}
   (( segid W   and resid 540   and name HA ))
   ( segid W   and resid 540   and name HB% )
      2.100     1.100     1.100 peak  1927 weight  0.10000E+01 volume  0.10182E-01 ppm1      4.739 ppm2      1.882 CV     1
 ASSI { 1931}
   (( segid W   and resid 539   and name HA ))
   ( segid W   and resid 540   and name HB% )
      3.400     2.600     2.600 peak  1931 weight  0.10000E+01 volume  0.37802E-02 ppm1      4.425 ppm2      1.882 CV     1
 ASSI { 1933}
   (( segid W   and resid 541   and name HD2 ))
   ( segid W   and resid 540   and name HB% )
      2.500     1.500     1.500 peak  1933 weight  0.10000E+01 volume  0.18851E-01 ppm1      3.875 ppm2      1.882 CV     1
 ASSI { 1934}
   (( segid P   and resid 229   and name HA ))
   ( segid W   and resid 540   and name HB% )
      4.000     3.700     2.000 peak  1934 weight  0.10000E+01 volume  0.62603E-03 ppm1      3.708 ppm2      1.890 CV     1
 ASSI { 1936}
   (( segid W   and resid 542   and name HB1 ))
   ( segid W   and resid 540   and name HB% )
      4.100     3.700     1.900 peak  1936 weight  0.10000E+01 volume  0.52011E-03 ppm1      2.907 ppm2      1.889 CV     1
 ASSI { 1938}
   (( segid W   and resid 540   and name HN ))
   ( segid W   and resid 540   and name HB% )
      2.100     1.100     1.100 peak  1938 weight  0.10000E+01 volume  0.11127E-01 ppm1      9.390 ppm2      1.881 CV     1
 ASSI { 1941}
   (( segid W   and resid 543   and name HN ))
   ( segid W   and resid 540   and name HB% )
      3.200     2.300     2.300 peak  1941 weight  0.10000E+01 volume  0.19008E-02 ppm1      8.717 ppm2      1.883 CV     1
 ASSI { 1943}
   (( segid W   and resid 542   and name HN ))
   ( segid W   and resid 540   and name HB% )
      2.400     1.300     1.300 peak  1943 weight  0.10000E+01 volume  0.54955E-02 ppm1      8.082 ppm2      1.882 CV     1
 ASSI { 1944}
   (( segid W   and resid 557   and name HE3 ))
   ( segid W   and resid 540   and name HB% )
      4.800     4.800     1.200 peak  1944 weight  0.10000E+01 volume  0.57146E-03 ppm1      8.252 ppm2      1.877 CV     1
 ASSI { 1966}
   (( segid W   and resid 531   and name HN ))
   (( segid W   and resid 531   and name HG ))
      2.600     1.600     1.600 peak  1966 weight  0.10000E+01 volume  0.30041E-02 ppm1      8.552 ppm2      1.816 CV     1
 ASSI { 1968}
   ( segid W   and resid 547   and name HE% )
   (( segid W   and resid 531   and name HG ))
      5.100     5.100     0.900 peak  1968 weight  0.10000E+01 volume  0.27005E-03 ppm1      7.328 ppm2      1.812 CV     1
 ASSI { 1970}
   (( segid W   and resid 531   and name HA ))
   (( segid W   and resid 531   and name HG ))
      3.100     2.300     2.300 peak  1970 weight  0.10000E+01 volume  0.12849E-02 ppm1      4.130 ppm2      1.821 CV     1
 ASSI { 1971}
   (( segid W   and resid 530   and name HA ))
   (( segid W   and resid 531   and name HG ))
      3.800     3.300     2.200 peak  1971 weight  0.10000E+01 volume  0.83969E-03 ppm1      4.441 ppm2      1.818 CV     1
 ASSI { 1973}
   (( segid W   and resid 532   and name HD2 ))
   (( segid W   and resid 531   and name HG ))
      4.300     4.200     1.700 peak  1973 weight  0.10000E+01 volume  0.88712E-03 ppm1      2.861 ppm2      1.811 CV     1
 ASSI { 1974}
   ( segid W   and resid 531   and name HD2%) 
   (( segid W   and resid 531   and name HG ))
      2.500     1.500     1.500 peak  1974 weight  0.10000E+01 volume  0.37436E-02 ppm1      0.863 ppm2      1.815 CV     1
 ASSI { 1975}
   ( segid W   and resid 531   and name HD1%) 
   (( segid W   and resid 531   and name HG ))
      2.800     1.900     1.900 peak  1975 weight  0.10000E+01 volume  0.21712E-02 ppm1      1.054 ppm2      1.818 CV     1
 ASSI { 1976}
   (( segid W   and resid 531   and name HB1 ))
   (( segid W   and resid 531   and name HG ))
      2.700     1.800     1.800 peak  1976 weight  0.10000E+01 volume  0.27867E-02 ppm1      1.468 ppm2      1.810 CV     1
 ASSI { 1977}
   (( segid W   and resid 535   and name HE1 ))
   (( segid W   and resid 532   and name HB2 ))
      4.000     3.600     2.000 peak  1977 weight  0.10000E+01 volume  0.94844E-03 ppm1     10.117 ppm2      1.945 CV     1
 ASSI { 1978}
   (( segid W   and resid 529   and name HN ))
   (( segid W   and resid 529   and name HB2 ))
      2.600     1.600     1.600 peak  1978 weight  0.10000E+01 volume  0.28516E-02 ppm1      8.525 ppm2      1.952 CV     1
 ASSI { 1980}
   (( segid W   and resid 535   and name HN ))
   (( segid W   and resid 532   and name HB2 ))
      5.000     5.000     1.000 peak  1980 weight  0.10000E+01 volume  0.24639E-03 ppm1      7.938 ppm2      1.964 CV     1
 ASSI { 1982}
   (( segid W   and resid 535   and name HE3 ))
   (( segid W   and resid 532   and name HB2 ))
      5.200     5.200     0.800 peak  1982 weight  0.10000E+01 volume  0.24696E-03 ppm1      7.542 ppm2      1.962 CV     1
 ASSI { 1986}
   (( segid W   and resid 529   and name HA ))
   (( segid W   and resid 529   and name HB2 ))
      2.800     1.900     1.900 peak  1986 weight  0.10000E+01 volume  0.28433E-02 ppm1      4.481 ppm2      1.959 CV     1
 ASSI { 1987}
   (( segid W   and resid 529   and name HA ))
   (( segid W   and resid 529   and name HB1 ))
      2.800     1.900     1.900 peak  1987 weight  0.10000E+01 volume  0.23903E-02 ppm1      4.483 ppm2      1.855 CV     1
 ASSI { 1988}
   (( segid W   and resid 528   and name HA ))
   (( segid W   and resid 529   and name HB2 ))
      4.900     4.900     1.100 peak  1988 weight  0.10000E+01 volume  0.35976E-03 ppm1      4.224 ppm2      1.959 CV     1
 ASSI { 1989}
   (( segid W   and resid 531   and name HA ))
   (( segid W   and resid 532   and name HB2 ))
      5.000     5.000     1.000 peak  1989 weight  0.10000E+01 volume  0.34690E-03 ppm1      4.140 ppm2      1.949 CV     1
 ASSI { 1996}
   (( segid W   and resid 532   and name HG1 ))
   (( segid W   and resid 532   and name HB2 ))
      2.800     1.800     1.800 peak  1996 weight  0.10000E+01 volume  0.46494E-02 ppm1      1.672 ppm2      1.949 CV     1
 ASSI { 1997}
   (( segid W   and resid 532   and name HG2 ))
   (( segid W   and resid 532   and name HB2 ))
      2.200     1.200     1.200 peak  1997 weight  0.10000E+01 volume  0.33507E-02 ppm1      1.371 ppm2      1.951 CV     1
 ASSI { 1998}
   (( segid W   and resid 560   and name HB1 ))
   (( segid W   and resid 532   and name HB2 ))
      4.600     4.600     1.400 peak  1998 weight  0.10000E+01 volume  0.62266E-03 ppm1      0.869 ppm2      1.948 CV     1
 ASSI { 1999}
   (( segid W   and resid 529   and name HB2 ))
   (( segid W   and resid 529   and name HB1 ))
      1.600     0.700     0.700 peak  1999 weight  0.10000E+01 volume  0.19098E-01 ppm1      1.959 ppm2      1.859 CV     1
 ASSI { 2000}
   (( segid W   and resid 529   and name HG1 ))
   (( segid W   and resid 529   and name HB1 ))
      2.300     1.300     1.300 peak  2000 weight  0.10000E+01 volume  0.91327E-02 ppm1      2.266 ppm2      1.857 CV     1
 ASSI { 2001}
   (( segid W   and resid 561   and name HD1 ))
   (( segid W   and resid 529   and name HB1 ))
      3.100     2.300     2.300 peak  2001 weight  0.10000E+01 volume  0.12804E-02 ppm1      2.845 ppm2      1.853 CV     1
 OR { 2001}
   (( segid W   and resid 561   and name HD2 ))
   (( segid W   and resid 529   and name HB1 ))
 ASSI { 2002}
   (( segid W   and resid 527   and name HA ))
   (( segid W   and resid 527   and name HB1 ))
      3.900     3.400     2.100 peak  2002 weight  0.10000E+01 volume  0.73769E-03 ppm1      4.254 ppm2      1.863 CV     1
 ASSI { 2003}
   (( segid W   and resid 530   and name HD1 ))
   (( segid W   and resid 529   and name HB1 ))
      4.200     4.000     1.800 peak  2003 weight  0.10000E+01 volume  0.90758E-03 ppm1      3.786 ppm2      1.855 CV     1
 ASSI { 2004}
   (( segid W   and resid 530   and name HD2 ))
   (( segid W   and resid 529   and name HB1 ))
      3.300     2.500     2.500 peak  2004 weight  0.10000E+01 volume  0.13935E-02 ppm1      3.654 ppm2      1.855 CV     1
 ASSI { 2005}
   (( segid W   and resid 531   and name HA ))
   (( segid W   and resid 529   and name HB1 ))
      4.300     4.200     1.700 peak  2005 weight  0.10000E+01 volume  0.29234E-03 ppm1      4.126 ppm2      1.830 CV     1
 ASSI { 2006}
   (( segid W   and resid 561   and name HH21)) 
   (( segid W   and resid 529   and name HB1 ))
      4.300     4.100     1.700 peak  2006 weight  0.10000E+01 volume  0.41237E-03 ppm1      7.056 ppm2      1.843 CV     1
 ASSI { 2009}
   (( segid W   and resid 527   and name HN ))
   (( segid W   and resid 528   and name HB2 ))
      3.600     3.000     2.400 peak  2009 weight  0.10000E+01 volume  0.11194E-02 ppm1      8.224 ppm2      1.871 CV     1
 ASSI { 2010}
   (( segid W   and resid 561   and name HH21)) 
   (( segid W   and resid 528   and name HB1 ))
      4.600     4.600     1.400 peak  2010 weight  0.10000E+01 volume  0.47336E-03 ppm1      7.058 ppm2      1.965 CV     1
 ASSI { 2014}
   (( segid W   and resid 528   and name HG2 ))
   (( segid W   and resid 528   and name HB2 ))
      2.000     1.000     1.000 peak  2014 weight  0.10000E+01 volume  0.21768E-01 ppm1      2.216 ppm2      1.877 CV     1
 ASSI { 2015}
   (( segid W   and resid 528   and name HA ))
   (( segid W   and resid 528   and name HB2 ))
      2.600     1.600     1.600 peak  2015 weight  0.10000E+01 volume  0.48847E-02 ppm1      4.259 ppm2      1.875 CV     1
 ASSI { 2016}
   (( segid W   and resid 564   and name HD2 ))
   (( segid W   and resid 564   and name HB1 ))
      3.000     2.200     2.200 peak  2016 weight  0.10000E+01 volume  0.14397E-02 ppm1      3.129 ppm2      1.674 CV     1
 ASSI { 2019}
   (( segid W   and resid 564   and name HB1 ))
   (( segid W   and resid 564   and name HB2 ))
      1.700     0.700     0.700 peak  2019 weight  0.10000E+01 volume  0.14532E-01 ppm1      1.682 ppm2      1.782 CV     1
 ASSI { 2020}
   (( segid W   and resid 564   and name HN ))
   (( segid W   and resid 564   and name HB1 ))
      3.100     2.200     2.200 peak  2020 weight  0.10000E+01 volume  0.93455E-03 ppm1      8.162 ppm2      1.665 CV     1
 ASSI { 2021}
   (( segid W   and resid 562   and name HD21)) 
   (( segid W   and resid 564   and name HB1 ))
      4.600     4.600     1.400 peak  2021 weight  0.10000E+01 volume  0.43350E-03 ppm1      6.744 ppm2      1.667 CV     1
 ASSI { 2024}
   (( segid W   and resid 544   and name HN ))
   (( segid W   and resid 544   and name HB2 ))
      3.700     3.100     2.300 peak  2024 weight  0.10000E+01 volume  0.16874E-02 ppm1      8.107 ppm2      1.508 CV     1
 ASSI { 2026}
   (( segid W   and resid 557   and name HZ3 ))
   (( segid W   and resid 544   and name HB2 ))
      4.300     4.100     1.700 peak  2026 weight  0.10000E+01 volume  0.80592E-03 ppm1      6.948 ppm2      1.512 CV     1
 OR { 2026}
   (( segid W   and resid 557   and name HH2 ))
   (( segid W   and resid 544   and name HB2 ))
 ASSI { 2033}
   (( segid W   and resid 542   and name HD21)) 
   (( segid W   and resid 544   and name HB2 ))
      5.600     5.600     0.400 peak  2033 weight  0.10000E+01 volume  0.35356E-03 ppm1      5.545 ppm2      1.523 CV     1
 ASSI { 2035}
   (( segid W   and resid 544   and name HD2 ))
   (( segid W   and resid 544   and name HB2 ))
      3.500     2.800     2.500 peak  2035 weight  0.10000E+01 volume  0.13097E-02 ppm1      2.440 ppm2      1.505 CV     1
 ASSI { 2037}
   (( segid W   and resid 544   and name HB1 ))
   (( segid W   and resid 544   and name HB2 ))
      2.000     1.000     1.000 peak  2037 weight  0.10000E+01 volume  0.49613E-02 ppm1      1.916 ppm2      1.508 CV     1
 ASSI { 2038}
   (( segid W   and resid 544   and name HD1 ))
   (( segid W   and resid 544   and name HB2 ))
      4.000     3.600     2.000 peak  2038 weight  0.10000E+01 volume  0.85887E-03 ppm1      1.301 ppm2      1.509 CV     1
 ASSI { 2040}
   (( segid W   and resid 549   and name HN ))
   (( segid W   and resid 554   and name HB1 ))
      4.200     3.900     1.800 peak  2040 weight  0.10000E+01 volume  0.34747E-03 ppm1      8.263 ppm2      1.557 CV     1
 ASSI { 2041}
   (( segid W   and resid 549   and name HN ))
   (( segid W   and resid 554   and name HB2 ))
      5.100     5.100     0.900 peak  2041 weight  0.10000E+01 volume  0.28120E-03 ppm1      8.279 ppm2      1.665 CV     1
 ASSI { 2042}
   (( segid W   and resid 555   and name HN ))
   (( segid W   and resid 554   and name HB2 ))
      2.700     1.800     1.800 peak  2042 weight  0.10000E+01 volume  0.17510E-02 ppm1      8.022 ppm2      1.665 CV     1
 ASSI { 2043}
   (( segid W   and resid 554   and name HN ))
   (( segid W   and resid 554   and name HB2 ))
      3.800     3.300     2.200 peak  2043 weight  0.10000E+01 volume  0.12250E-02 ppm1      7.429 ppm2      1.668 CV     1
 ASSI { 2045}
   (( segid W   and resid 554   and name HN ))
   (( segid W   and resid 554   and name HB1 ))
      3.100     2.200     2.200 peak  2045 weight  0.10000E+01 volume  0.11908E-02 ppm1      7.430 ppm2      1.561 CV     1
 ASSI { 2046}
   (( segid W   and resid 554   and name HA ))
   (( segid W   and resid 554   and name HB2 ))
      2.700     1.700     1.700 peak  2046 weight  0.10000E+01 volume  0.22933E-02 ppm1      4.953 ppm2      1.663 CV     1
 ASSI { 2047}
   (( segid W   and resid 554   and name HA ))
   (( segid W   and resid 554   and name HB1 ))
      3.200     2.300     2.300 peak  2047 weight  0.10000E+01 volume  0.24192E-02 ppm1      4.954 ppm2      1.561 CV     1
 ASSI { 2049}
   (( segid W   and resid 556   and name HB ))
   (( segid W   and resid 554   and name HB2 ))
      4.600     4.600     1.400 peak  2049 weight  0.10000E+01 volume  0.22996E-03 ppm1      4.455 ppm2      1.692 CV     1
 ASSI { 2050}
   (( segid W   and resid 556   and name HB ))
   (( segid W   and resid 554   and name HB1 ))
      4.100     3.700     1.900 peak  2050 weight  0.10000E+01 volume  0.29084E-03 ppm1      4.462 ppm2      1.546 CV     1
 ASSI { 2051}
   (( segid W   and resid 552   and name HB1 ))
   (( segid W   and resid 554   and name HB1 ))
      4.400     4.400     1.600 peak  2051 weight  0.10000E+01 volume  0.32059E-03 ppm1      3.650 ppm2      1.563 CV     1
 ASSI { 2055}
   (( segid W   and resid 554   and name HD1 ))
   (( segid W   and resid 554   and name HB2 ))
      3.100     2.300     2.300 peak  2055 weight  0.10000E+01 volume  0.21126E-02 ppm1      3.148 ppm2      1.666 CV     1
 ASSI { 2056}
   (( segid W   and resid 554   and name HD1 ))
   (( segid W   and resid 554   and name HB1 ))
      3.000     2.100     2.100 peak  2056 weight  0.10000E+01 volume  0.20481E-02 ppm1      3.148 ppm2      1.563 CV     1
 ASSI { 2057}
   (( segid W   and resid 549   and name HB1 ))
   (( segid W   and resid 554   and name HB2 ))
      4.500     4.500     1.500 peak  2057 weight  0.10000E+01 volume  0.65289E-03 ppm1      2.064 ppm2      1.665 CV     1
 ASSI { 2058}
   (( segid W   and resid 549   and name HB1 ))
   (( segid W   and resid 554   and name HB1 ))
      3.200     3.200     2.800 peak  2058 weight  0.10000E+01 volume  0.92833E-03 ppm1      2.071 ppm2      1.560 CV     1
 ASSI { 2059}
   (( segid W   and resid 554   and name HB1 ))
   (( segid W   and resid 554   and name HB2 ))
      1.700     0.800     0.800 peak  2059 weight  0.10000E+01 volume  0.12132E-01 ppm1      1.565 ppm2      1.665 CV     1
 ASSI { 2061}
   (( segid W   and resid 554   and name HG1 ))
   (( segid W   and resid 554   and name HB2 ))
      2.200     1.200     1.200 peak  2061 weight  0.10000E+01 volume  0.88485E-02 ppm1      1.387 ppm2      1.664 CV     1
 ASSI { 2062}
   (( segid W   and resid 554   and name HG1 ))
   (( segid W   and resid 554   and name HB1 ))
      2.500     1.500     1.500 peak  2062 weight  0.10000E+01 volume  0.90781E-02 ppm1      1.386 ppm2      1.563 CV     1
 ASSI { 2064}
   (( segid W   and resid 549   and name HB2 ))
   (( segid W   and resid 554   and name HB2 ))
      5.100     5.100     0.900 peak  2064 weight  0.10000E+01 volume  0.47474E-03 ppm1      0.592 ppm2      1.662 CV     1
 ASSI { 2065}
   (( segid W   and resid 549   and name HB2 ))
   (( segid W   and resid 554   and name HB1 ))
      4.200     4.000     1.800 peak  2065 weight  0.10000E+01 volume  0.39135E-03 ppm1      0.561 ppm2      1.547 CV     1
 ASSI { 2068}
   (( segid W   and resid 537   and name HN ))
   (( segid W   and resid 537   and name HB1 ))
      2.900     2.000     2.000 peak  2068 weight  0.10000E+01 volume  0.11808E-02 ppm1      8.698 ppm2      1.671 CV     1
 ASSI { 2069}
   (( segid W   and resid 539   and name HN ))
   (( segid W   and resid 537   and name HB1 ))
      5.400     5.400     0.600 peak  2069 weight  0.10000E+01 volume  0.27625E-03 ppm1      8.309 ppm2      1.667 CV     1
 ASSI { 2071}
   ( segid W   and resid 547   and name HE% )
   (( segid W   and resid 537   and name HB1 ))
      4.600     4.600     1.400 peak  2071 weight  0.10000E+01 volume  0.84486E-03 ppm1      7.308 ppm2      1.670 CV     1
 ASSI { 2072}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 537   and name HB1 ))
      4.200     4.000     1.800 peak  2072 weight  0.10000E+01 volume  0.92996E-03 ppm1      7.087 ppm2      1.675 CV     1
 ASSI { 2075}
   (( segid W   and resid 537   and name HG1 ))
   (( segid W   and resid 537   and name HB1 ))
      2.900     1.900     1.900 peak  2075 weight  0.10000E+01 volume  0.42980E-02 ppm1      2.152 ppm2      1.668 CV     1
 ASSI { 2077}
   ( segid W   and resid 531   and name HD1%) 
   (( segid W   and resid 537   and name HB1 ))
      3.400     2.700     2.600 peak  2077 weight  0.10000E+01 volume  0.13601E-02 ppm1      1.049 ppm2      1.671 CV     1
 ASSI { 2078}
   ( segid W   and resid 531   and name HD2%) 
   (( segid W   and resid 537   and name HB1 ))
      2.700     1.700     1.700 peak  2078 weight  0.10000E+01 volume  0.20506E-02 ppm1      0.837 ppm2      1.669 CV     1
 ASSI { 2080}
   (( segid W   and resid 530   and name HA ))
   (( segid W   and resid 531   and name HB2 ))
      4.400     4.300     1.600 peak  2080 weight  0.10000E+01 volume  0.10189E-02 ppm1      4.440 ppm2      1.757 CV     1
 ASSI { 2081}
   (( segid W   and resid 531   and name HA ))
   (( segid W   and resid 531   and name HB2 ))
      2.600     1.600     1.600 peak  2081 weight  0.10000E+01 volume  0.18027E-02 ppm1      4.130 ppm2      1.757 CV     1
 ASSI { 2083}
   (( segid W   and resid 532   and name HD2 ))
   (( segid W   and resid 531   and name HB2 ))
      3.200     2.400     2.400 peak  2083 weight  0.10000E+01 volume  0.15273E-02 ppm1      2.870 ppm2      1.761 CV     1
 ASSI { 2084}
   (( segid W   and resid 537   and name HG2 ))
   (( segid W   and resid 531   and name HB2 ))
      5.100     5.100     0.900 peak  2084 weight  0.10000E+01 volume  0.35724E-03 ppm1      2.284 ppm2      1.766 CV     1
 ASSI { 2086}
   (( segid W   and resid 531   and name HB1 ))
   (( segid W   and resid 531   and name HB2 ))
      1.800     0.800     0.800 peak  2086 weight  0.10000E+01 volume  0.81557E-02 ppm1      1.470 ppm2      1.759 CV     1
 ASSI { 2087}
   ( segid W   and resid 531   and name HD1%) 
   (( segid W   and resid 531   and name HB2 ))
      3.100     2.200     2.200 peak  2087 weight  0.10000E+01 volume  0.39321E-02 ppm1      1.048 ppm2      1.759 CV     1
 ASSI { 2088}
   ( segid W   and resid 531   and name HD2%) 
   (( segid W   and resid 531   and name HB2 ))
      2.600     1.600     1.600 peak  2088 weight  0.10000E+01 volume  0.22819E-02 ppm1      0.864 ppm2      1.758 CV     1
 ASSI { 2090}
   (( segid W   and resid 557   and name HN ))
   ( segid W   and resid 556   and name HG2%) 
      3.700     3.000     2.300 peak  2090 weight  0.10000E+01 volume  0.13109E-02 ppm1      8.833 ppm2      1.637 CV     1
 ASSI { 2091}
   (( segid W   and resid 558   and name HN ))
   ( segid W   and resid 556   and name HG2%) 
      2.700     1.700     1.700 peak  2091 weight  0.10000E+01 volume  0.40703E-02 ppm1      8.687 ppm2      1.636 CV     1
 ASSI { 2093}
   (( segid W   and resid 559   and name HN ))
   ( segid W   and resid 556   and name HG2%) 
      4.400     4.300     1.600 peak  2093 weight  0.10000E+01 volume  0.36711E-03 ppm1      7.960 ppm2      1.633 CV     1
 ASSI { 2095}
   (( segid W   and resid 535   and name HE3 ))
   ( segid W   and resid 556   and name HG2%) 
      4.400     4.300     1.600 peak  2095 weight  0.10000E+01 volume  0.11350E-02 ppm1      7.558 ppm2      1.637 CV     1
 ASSI { 2096}
   (( segid W   and resid 535   and name HZ2 ))
   ( segid W   and resid 556   and name HG2%) 
      4.300     4.100     1.700 peak  2096 weight  0.10000E+01 volume  0.14710E-02 ppm1      7.415 ppm2      1.636 CV     1
 ASSI { 2097}
   (( segid W   and resid 535   and name HH2 ))
   ( segid W   and resid 556   and name HG2%) 
      2.600     1.600     1.600 peak  2097 weight  0.10000E+01 volume  0.68189E-02 ppm1      7.110 ppm2      1.635 CV     1
 ASSI { 2098}
   (( segid W   and resid 535   and name HZ3 ))
   ( segid W   and resid 556   and name HG2%) 
      2.400     1.300     1.300 peak  2098 weight  0.10000E+01 volume  0.61796E-02 ppm1      6.846 ppm2      1.635 CV     1
 ASSI { 2099}
   (( segid W   and resid 555   and name HA ))
   ( segid W   and resid 556   and name HG2%) 
      3.200     2.300     2.300 peak  2099 weight  0.10000E+01 volume  0.22246E-02 ppm1      5.513 ppm2      1.637 CV     1
 ASSI { 2100}
   (( segid W   and resid 547   and name HA ))
   ( segid W   and resid 556   and name HG2%) 
      4.200     4.000     1.800 peak  2100 weight  0.10000E+01 volume  0.96123E-03 ppm1      5.139 ppm2      1.636 CV     1
 ASSI { 2106}
   (( segid W   and resid 558   and name HA ))
   ( segid W   and resid 556   and name HG2%) 
      4.000     3.600     2.000 peak  2106 weight  0.10000E+01 volume  0.54780E-03 ppm1      3.799 ppm2      1.639 CV     1
 ASSI { 2107}
   (( segid W   and resid 547   and name HB2 ))
   ( segid W   and resid 556   and name HG2%) 
      3.000     2.100     2.100 peak  2107 weight  0.10000E+01 volume  0.36764E-02 ppm1      3.351 ppm2      1.636 CV     1
 ASSI { 2108}
   (( segid W   and resid 547   and name HB1 ))
   ( segid W   and resid 556   and name HG2%) 
      2.500     1.500     1.500 peak  2108 weight  0.10000E+01 volume  0.50432E-02 ppm1      3.171 ppm2      1.638 CV     1
 ASSI { 2109}
   (( segid W   and resid 560   and name HD2 ))
   ( segid W   and resid 556   and name HG2%) 
      4.100     3.800     1.900 peak  2109 weight  0.10000E+01 volume  0.95681E-03 ppm1      2.703 ppm2      1.639 CV     1
 ASSI { 2111}
   (( segid W   and resid 560   and name HD1 ))
   ( segid W   and resid 556   and name HG2%) 
      3.600     3.000     2.400 peak  2111 weight  0.10000E+01 volume  0.67509E-03 ppm1      2.884 ppm2      1.636 CV     1
 ASSI { 2112}
   (( segid W   and resid 559   and name HA ))
   ( segid W   and resid 556   and name HG2%) 
      3.700     3.100     2.300 peak  2112 weight  0.10000E+01 volume  0.72391E-03 ppm1      2.328 ppm2      1.637 CV     1
 ASSI { 2113}
   (( segid W   and resid 558   and name HB ))
   ( segid W   and resid 556   and name HG2%) 
      2.900     2.000     2.000 peak  2113 weight  0.10000E+01 volume  0.25734E-02 ppm1      1.929 ppm2      1.636 CV     1
 ASSI { 2125}
   (( segid W   and resid 561   and name HN ))
   (( segid W   and resid 561   and name HG1 ))
      2.900     2.000     2.000 peak  2125 weight  0.10000E+01 volume  0.13878E-02 ppm1      8.479 ppm2      1.743 CV     1
 ASSI { 2126}
   (( segid W   and resid 561   and name HE ))
   (( segid W   and resid 561   and name HG1 ))
      3.200     2.300     2.300 peak  2126 weight  0.10000E+01 volume  0.12758E-02 ppm1      8.848 ppm2      1.740 CV     1
 ASSI { 2129}
   (( segid W   and resid 531   and name HA ))
   (( segid W   and resid 561   and name HG1 ))
      4.400     4.400     1.600 peak  2129 weight  0.10000E+01 volume  0.71700E-03 ppm1      4.131 ppm2      1.735 CV     1
 ASSI { 2130}
   (( segid W   and resid 561   and name HA ))
   (( segid W   and resid 561   and name HG1 ))
      3.600     2.900     2.400 peak  2130 weight  0.10000E+01 volume  0.18256E-02 ppm1      3.854 ppm2      1.741 CV     1
 ASSI { 2132}
   (( segid W   and resid 532   and name HD1 ))
   (( segid W   and resid 532   and name HG1 ))
      2.400     1.400     1.400 peak  2132 weight  0.10000E+01 volume  0.25785E-02 ppm1      3.305 ppm2      1.663 CV     1
 ASSI { 2133}
   (( segid W   and resid 561   and name HD2 ))
   (( segid W   and resid 561   and name HG1 ))
      2.700     1.700     1.700 peak  2133 weight  0.10000E+01 volume  0.27369E-02 ppm1      2.853 ppm2      1.739 CV     1
 OR { 2133}
   (( segid W   and resid 561   and name HD1 ))
   (( segid W   and resid 561   and name HG1 ))
 ASSI { 2134}
   (( segid W   and resid 529   and name HG1 ))
   (( segid W   and resid 561   and name HG1 ))
      5.300     5.300     0.700 peak  2134 weight  0.10000E+01 volume  0.39330E-03 ppm1      2.274 ppm2      1.742 CV     1
 ASSI { 2135}
   (( segid W   and resid 561   and name HB2 ))
   (( segid W   and resid 561   and name HG1 ))
      2.400     1.400     1.400 peak  2135 weight  0.10000E+01 volume  0.29738E-02 ppm1      1.563 ppm2      1.736 CV     1
 ASSI { 2136}
   (( segid W   and resid 561   and name HG2 ))
   (( segid W   and resid 561   and name HG1 ))
      2.000     1.000     1.000 peak  2136 weight  0.10000E+01 volume  0.29625E-02 ppm1      1.145 ppm2      1.741 CV     1
 ASSI { 2139}
   (( segid W   and resid 553   and name HB1 ))
   (( segid W   and resid 553   and name HB2 ))
      2.000     1.000     1.000 peak  2139 weight  0.10000E+01 volume  0.58930E-02 ppm1      0.815 ppm2      1.636 CV     1
 ASSI { 2140}
   (( segid W   and resid 553   and name HG2 ))
   (( segid W   and resid 553   and name HB2 ))
      3.000     2.000     2.000 peak  2140 weight  0.10000E+01 volume  0.24584E-02 ppm1      0.985 ppm2      1.634 CV     1
 ASSI { 2146}
   (( segid W   and resid 534   and name HD1 ))
   (( segid W   and resid 534   and name HG1 ))
      3.500     2.800     2.500 peak  2146 weight  0.10000E+01 volume  0.11334E-02 ppm1      3.164 ppm2      1.639 CV     1
 ASSI { 2152}
   ( segid P   and resid 232   and name HE% )
   (( segid W   and resid 553   and name HB2 ))
      4.400     4.400     1.600 peak  2152 weight  0.10000E+01 volume  0.30210E-03 ppm1      6.390 ppm2      1.639 CV     1
 ASSI { 2156}
   (( segid W   and resid 544   and name HN ))
   (( segid W   and resid 544   and name HG2 ))
      4.500     4.400     1.500 peak  2156 weight  0.10000E+01 volume  0.75745E-03 ppm1      8.116 ppm2      1.606 CV     1
 ASSI { 2159}
   (( segid W   and resid 543   and name HN ))
   (( segid W   and resid 544   and name HG1 ))
      5.500     5.500     0.500 peak  2159 weight  0.10000E+01 volume  0.24122E-03 ppm1      8.708 ppm2      1.497 CV     1
 ASSI { 2160}
   (( segid W   and resid 545   and name HN ))
   (( segid W   and resid 544   and name HG2 ))
      3.800     3.300     2.200 peak  2160 weight  0.10000E+01 volume  0.83051E-03 ppm1      8.975 ppm2      1.617 CV     1
 ASSI { 2162}
   (( segid W   and resid 557   and name HZ3 ))
   (( segid W   and resid 544   and name HG1 ))
      3.500     2.800     2.500 peak  2162 weight  0.10000E+01 volume  0.46211E-03 ppm1      6.923 ppm2      1.480 CV     1
 ASSI { 2173}
   (( segid W   and resid 561   and name HE ))
   (( segid W   and resid 561   and name HB1 ))
      3.000     2.100     2.100 peak  2173 weight  0.10000E+01 volume  0.17273E-02 ppm1      8.848 ppm2      1.739 CV     1
 ASSI { 2175}
   (( segid W   and resid 561   and name HN ))
   (( segid W   and resid 561   and name HB1 ))
      3.100     2.300     2.300 peak  2175 weight  0.10000E+01 volume  0.17460E-02 ppm1      8.477 ppm2      1.741 CV     1
 ASSI { 2179}
   ( segid W   and resid 547   and name HE% )
   (( segid W   and resid 561   and name HB1 ))
      4.900     4.900     1.100 peak  2179 weight  0.10000E+01 volume  0.29934E-03 ppm1      7.324 ppm2      1.752 CV     1
 ASSI { 2180}
   (( segid W   and resid 562   and name HN ))
   (( segid W   and resid 561   and name HB1 ))
      4.400     4.300     1.600 peak  2180 weight  0.10000E+01 volume  0.51483E-03 ppm1      7.156 ppm2      1.736 CV     1
 ASSI { 2183}
   (( segid W   and resid 561   and name HA ))
   (( segid W   and resid 561   and name HB1 ))
      2.600     1.700     1.700 peak  2183 weight  0.10000E+01 volume  0.22879E-02 ppm1      3.855 ppm2      1.741 CV     1
 ASSI { 2185}
   (( segid W   and resid 531   and name HA ))
   (( segid W   and resid 561   and name HB2 ))
      5.200     5.200     0.800 peak  2185 weight  0.10000E+01 volume  0.41823E-03 ppm1      4.133 ppm2      1.555 CV     1
 ASSI { 2186}
   (( segid W   and resid 532   and name HD1 ))
   (( segid W   and resid 561   and name HB1 ))
      3.200     2.300     2.300 peak  2186 weight  0.10000E+01 volume  0.44855E-03 ppm1      3.306 ppm2      1.738 CV     1
 ASSI { 2189}
   (( segid W   and resid 561   and name HD1 ))
   (( segid W   and resid 561   and name HB2 ))
      3.200     2.400     2.400 peak  2189 weight  0.10000E+01 volume  0.14840E-02 ppm1      2.848 ppm2      1.565 CV     1
 OR { 2189}
   (( segid W   and resid 561   and name HD2 ))
   (( segid W   and resid 561   and name HB2 ))
 ASSI { 2190}
   (( segid W   and resid 529   and name HG1 ))
   (( segid W   and resid 561   and name HB1 ))
      4.900     4.900     1.100 peak  2190 weight  0.10000E+01 volume  0.35597E-03 ppm1      2.266 ppm2      1.721 CV     1
 ASSI { 2192}
   (( segid W   and resid 561   and name HB1 ))
   (( segid W   and resid 561   and name HB2 ))
      1.900     0.900     0.900 peak  2192 weight  0.10000E+01 volume  0.57032E-02 ppm1      1.742 ppm2      1.563 CV     1
 OR { 2192}
   (( segid W   and resid 561   and name HG1 ))
   (( segid W   and resid 561   and name HB2 ))
 ASSI { 2193}
   (( segid W   and resid 561   and name HB2 ))
   (( segid W   and resid 561   and name HB1 ))
      1.900     0.900     0.900 peak  2193 weight  0.10000E+01 volume  0.47878E-02 ppm1      1.562 ppm2      1.740 CV     1
 ASSI { 2194}
   (( segid W   and resid 561   and name HG2 ))
   (( segid W   and resid 561   and name HB1 ))
      2.700     1.700     1.700 peak  2194 weight  0.10000E+01 volume  0.17183E-02 ppm1      1.144 ppm2      1.741 CV     1
 ASSI { 2199}
   (( segid W   and resid 560   and name HG2 ))
   (( segid W   and resid 561   and name HB2 ))
      6.000     6.000     0.000 peak  2199 weight  0.10000E+01 volume  0.26890E-03 ppm1      0.554 ppm2      1.557 CV     1
 ASSI { 2200}
   (( segid W   and resid 560   and name HG2 ))
   (( segid W   and resid 561   and name HB1 ))
      5.900     5.900     0.100 peak  2200 weight  0.10000E+01 volume  0.26764E-03 ppm1      0.577 ppm2      1.734 CV     1
 ASSI { 2201}
   (( segid W   and resid 562   and name HA ))
   (( segid W   and resid 561   and name HB1 ))
      5.100     5.100     0.900 peak  2201 weight  0.10000E+01 volume  0.27763E-03 ppm1      4.606 ppm2      1.730 CV     1
 ASSI { 2202}
   (( segid W   and resid 548   and name HN ))
   (( segid W   and resid 548   and name HG11)) 
      2.700     1.700     1.700 peak  2202 weight  0.10000E+01 volume  0.17011E-02 ppm1      9.176 ppm2      1.104 CV     1
 ASSI { 2203}
   (( segid W   and resid 549   and name HN ))
   (( segid W   and resid 548   and name HG11)) 
      4.900     4.900     1.100 peak  2203 weight  0.10000E+01 volume  0.57456E-03 ppm1      8.268 ppm2      1.106 CV     1
 ASSI { 2206}
   ( segid W   and resid 546   and name HE% )
   (( segid W   and resid 548   and name HG11)) 
      2.900     2.900     3.100 peak  2206 weight  0.10000E+01 volume  0.19113E-02 ppm1      6.760 ppm2      1.106 CV     1
 ASSI { 2207}
   ( segid W   and resid 546   and name HD% )
   (( segid W   and resid 548   and name HG11)) 
      3.100     2.200     2.200 peak  2207 weight  0.10000E+01 volume  0.14289E-02 ppm1      7.031 ppm2      1.106 CV     1
 OR { 2207}
   (( segid W   and resid 546   and name HZ ))
   (( segid W   and resid 548   and name HG11)) 
 ASSI { 2208}
   (( segid W   and resid 555   and name HA ))
   (( segid W   and resid 548   and name HG11)) 
      4.300     4.200     1.700 peak  2208 weight  0.10000E+01 volume  0.56595E-03 ppm1      5.532 ppm2      1.115 CV     1
 ASSI { 2211}
   (( segid W   and resid 536   and name HB1 ))
   (( segid W   and resid 548   and name HG11)) 
      4.600     4.600     1.400 peak  2211 weight  0.10000E+01 volume  0.41214E-03 ppm1      3.914 ppm2      1.111 CV     1
 ASSI { 2213}
   (( segid W   and resid 548   and name HB ))
   (( segid W   and resid 548   and name HG11)) 
      2.600     1.600     1.600 peak  2213 weight  0.10000E+01 volume  0.26127E-02 ppm1      1.455 ppm2      1.106 CV     1
 ASSI { 2215}
   (( segid W   and resid 548   and name HG12)) 
   (( segid W   and resid 548   and name HG11)) 
      1.700     0.700     0.700 peak  2215 weight  0.10000E+01 volume  0.95402E-02 ppm1      0.598 ppm2      1.107 CV     1
 ASSI { 2216}
   ( segid W   and resid 548   and name HD1%) 
   (( segid W   and resid 548   and name HG11)) 
      2.300     1.300     1.300 peak  2216 weight  0.10000E+01 volume  0.64068E-02 ppm1      0.362 ppm2      1.106 CV     1
 ASSI { 2221}
   (( segid W   and resid 557   and name HN ))
   (( segid W   and resid 558   and name HG12)) 
      4.500     4.500     1.500 peak  2221 weight  0.10000E+01 volume  0.50518E-03 ppm1      8.821 ppm2      1.258 CV     1
 ASSI { 2222}
   (( segid W   and resid 558   and name HN ))
   (( segid W   and resid 558   and name HG12)) 
      2.700     1.700     1.700 peak  2222 weight  0.10000E+01 volume  0.19101E-02 ppm1      8.683 ppm2      1.245 CV     1
 ASSI { 2223}
   (( segid W   and resid 559   and name HN ))
   (( segid W   and resid 558   and name HG12)) 
      5.300     5.300     0.700 peak  2223 weight  0.10000E+01 volume  0.41099E-03 ppm1      7.917 ppm2      1.250 CV     1
 ASSI { 2228}
   (( segid W   and resid 558   and name HG11)) 
   (( segid W   and resid 558   and name HG12)) 
      1.800     0.800     0.800 peak  2228 weight  0.10000E+01 volume  0.10354E-01 ppm1      1.566 ppm2      1.246 CV     1
 ASSI { 2236}
   (( segid W   and resid 554   and name HA ))
   (( segid W   and resid 554   and name HG1 ))
      2.800     1.900     1.900 peak  2236 weight  0.10000E+01 volume  0.23031E-02 ppm1      4.954 ppm2      1.387 CV     1
 ASSI { 2239}
   (( segid W   and resid 531   and name HA ))
   (( segid W   and resid 532   and name HG2 ))
      4.800     4.800     1.200 peak  2239 weight  0.10000E+01 volume  0.62179E-03 ppm1      4.142 ppm2      1.389 CV     1
 ASSI { 2242}
   (( segid W   and resid 552   and name HB2 ))
   (( segid W   and resid 554   and name HG1 ))
      4.700     4.700     1.300 peak  2242 weight  0.10000E+01 volume  0.13404E-02 ppm1      3.428 ppm2      1.388 CV     1
 ASSI { 2249}
   (( segid W   and resid 560   and name HB1 ))
   (( segid W   and resid 532   and name HG2 ))
      3.900     3.500     2.100 peak  2249 weight  0.10000E+01 volume  0.13915E-02 ppm1      0.848 ppm2      1.371 CV     1
 ASSI { 2250}
   (( segid W   and resid 560   and name HG2 ))
   (( segid W   and resid 532   and name HG2 ))
      3.900     3.400     2.100 peak  2250 weight  0.10000E+01 volume  0.10222E-02 ppm1      0.593 ppm2      1.378 CV     1
 ASSI { 2264}
   (( segid W   and resid 532   and name HG1 ))
   (( segid W   and resid 532   and name HG2 ))
      1.700     0.700     0.700 peak  2264 weight  0.10000E+01 volume  0.76628E-02 ppm1      1.667 ppm2      1.369 CV     1
 ASSI { 2273}
   (( segid W   and resid 562   and name HA ))
   (( segid W   and resid 561   and name HG1 ))
      4.900     4.900     1.100 peak  2273 weight  0.10000E+01 volume  0.26546E-03 ppm1      4.620 ppm2      1.759 CV     1
 ASSI { 2275}
   (( segid W   and resid 535   and name HE1 ))
   (( segid W   and resid 532   and name HG2 ))
      4.300     4.100     1.700 peak  2275 weight  0.10000E+01 volume  0.78203E-03 ppm1     10.114 ppm2      1.371 CV     1
 ASSI { 2280}
   (( segid W   and resid 531   and name HA ))
   (( segid W   and resid 561   and name HG2 ))
      3.700     3.100     2.300 peak  2280 weight  0.10000E+01 volume  0.70113E-03 ppm1      4.132 ppm2      1.140 CV     1
 ASSI { 2283}
   (( segid W   and resid 561   and name HD1 ))
   (( segid W   and resid 561   and name HG2 ))
      2.800     1.800     1.800 peak  2283 weight  0.10000E+01 volume  0.20790E-02 ppm1      2.850 ppm2      1.143 CV     1
 OR { 2283}
   (( segid W   and resid 561   and name HD2 ))
   (( segid W   and resid 561   and name HG2 ))
 ASSI { 2284}
   (( segid W   and resid 561   and name HG1 ))
   (( segid W   and resid 561   and name HG2 ))
      2.000     1.000     1.000 peak  2284 weight  0.10000E+01 volume  0.44060E-02 ppm1      1.745 ppm2      1.142 CV     1
 OR { 2284}
   (( segid W   and resid 561   and name HB1 ))
   (( segid W   and resid 561   and name HG2 ))
 ASSI { 2285}
   (( segid W   and resid 561   and name HB2 ))
   (( segid W   and resid 561   and name HG2 ))
      3.200     2.400     2.400 peak  2285 weight  0.10000E+01 volume  0.15965E-02 ppm1      1.558 ppm2      1.140 CV     1
 ASSI { 2289}
   (( segid W   and resid 536   and name HN ))
   ( segid W   and resid 531   and name HD1%) 
      4.300     4.100     1.700 peak  2289 weight  0.10000E+01 volume  0.10746E-02 ppm1      9.632 ppm2      1.049 CV     1
 ASSI { 2300}
   (( segid W   and resid 537   and name HA ))
   ( segid W   and resid 531   and name HD1%) 
      4.000     3.600     2.000 peak  2300 weight  0.10000E+01 volume  0.11389E-02 ppm1      5.111 ppm2      1.049 CV     1
 ASSI { 2301}
   (( segid W   and resid 536   and name HA ))
   ( segid W   and resid 531   and name HD1%) 
      2.400     1.400     1.400 peak  2301 weight  0.10000E+01 volume  0.57155E-02 ppm1      4.951 ppm2      1.047 CV     1
 ASSI { 2302}
   (( segid W   and resid 530   and name HA ))
   ( segid W   and resid 531   and name HD1%) 
      4.500     4.400     1.500 peak  2302 weight  0.10000E+01 volume  0.63440E-03 ppm1      4.438 ppm2      1.049 CV     1
 ASSI { 2305}
   (( segid W   and resid 536   and name HB1 ))
   ( segid W   and resid 531   and name HD1%) 
      4.500     4.500     1.500 peak  2305 weight  0.10000E+01 volume  0.82876E-03 ppm1      3.905 ppm2      1.048 CV     1
 ASSI { 2309}
   (( segid W   and resid 537   and name HG2 ))
   ( segid W   and resid 531   and name HD1%) 
      3.700     3.100     2.300 peak  2309 weight  0.10000E+01 volume  0.26465E-02 ppm1      2.275 ppm2      1.048 CV     1
 ASSI { 2311}
   (( segid W   and resid 531   and name HG ))
   ( segid W   and resid 531   and name HD1%) 
      2.300     1.300     1.300 peak  2311 weight  0.10000E+01 volume  0.10556E-01 ppm1      1.793 ppm2      1.048 CV     1
 OR { 2311}
   (( segid W   and resid 531   and name HB2 ))
   ( segid W   and resid 531   and name HD1%) 
 ASSI { 2312}
   (( segid W   and resid 531   and name HB1 ))
   ( segid W   and resid 531   and name HD1%) 
      2.400     1.400     1.400 peak  2312 weight  0.10000E+01 volume  0.47950E-02 ppm1      1.471 ppm2      1.047 CV     1
 ASSI { 2313}
   ( segid W   and resid 531   and name HD2%) 
   ( segid W   and resid 531   and name HD1%) 
      2.400     1.400     1.400 peak  2313 weight  0.10000E+01 volume  0.71031E-02 ppm1      0.866 ppm2      1.047 CV     1
 ASSI { 2328}
   (( segid W   and resid 561   and name HE ))
   ( segid W   and resid 531   and name HD2%) 
      3.200     2.300     2.300 peak  2328 weight  0.10000E+01 volume  0.26525E-02 ppm1      8.849 ppm2      0.868 CV     1
 ASSI { 2331}
   (( segid W   and resid 537   and name HN ))
   ( segid W   and resid 531   and name HD2%) 
      3.500     2.800     2.500 peak  2331 weight  0.10000E+01 volume  0.92746E-03 ppm1      8.691 ppm2      0.860 CV     1
 ASSI { 2332}
   (( segid W   and resid 531   and name HN ))
   ( segid W   and resid 531   and name HD2%) 
      3.600     3.000     2.400 peak  2332 weight  0.10000E+01 volume  0.26681E-02 ppm1      8.539 ppm2      0.862 CV     1
 ASSI { 2334}
   (( segid W   and resid 536   and name HN ))
   ( segid W   and resid 531   and name HD2%) 
      3.800     3.300     2.200 peak  2334 weight  0.10000E+01 volume  0.74286E-03 ppm1      9.630 ppm2      0.861 CV     1
 ASSI { 2337}
   ( segid W   and resid 537   and name HE% )
   ( segid W   and resid 531   and name HD2%) 
      3.400     2.600     2.600 peak  2337 weight  0.10000E+01 volume  0.18943E-02 ppm1      2.094 ppm2      0.867 CV     1
 ASSI { 2338}
   (( segid W   and resid 531   and name HG ))
   ( segid W   and resid 531   and name HD2%) 
      2.000     1.000     1.000 peak  2338 weight  0.10000E+01 volume  0.11799E-01 ppm1      1.794 ppm2      0.862 CV     1
 OR { 2338}
   (( segid W   and resid 531   and name HB2 ))
   ( segid W   and resid 531   and name HD2%) 
 ASSI { 2339}
   (( segid W   and resid 531   and name HB1 ))
   ( segid W   and resid 531   and name HD2%) 
      3.200     2.400     2.400 peak  2339 weight  0.10000E+01 volume  0.48926E-02 ppm1      1.476 ppm2      0.861 CV     1
 ASSI { 2340}
   (( segid W   and resid 523   and name HG ))
   ( segid W   and resid 523   and name HD2%) 
      3.100     2.200     2.200 peak  2340 weight  0.10000E+01 volume  0.20938E-02 ppm1      1.600 ppm2      0.867 CV     1
 OR { 2340}
   (( segid W   and resid 523   and name HB2 ))
   ( segid W   and resid 523   and name HD2%) 
 ASSI { 2345}
   (( segid W   and resid 523   and name HA ))
   ( segid W   and resid 523   and name HD2%) 
      3.400     2.600     2.600 peak  2345 weight  0.10000E+01 volume  0.19886E-02 ppm1      4.343 ppm2      0.869 CV     1
 ASSI { 2347}
   (( segid W   and resid 531   and name HA ))
   ( segid W   and resid 531   and name HD2%) 
      2.300     1.300     1.300 peak  2347 weight  0.10000E+01 volume  0.87300E-02 ppm1      4.131 ppm2      0.862 CV     1
 ASSI { 2351}
   (( segid W   and resid 556   and name HN ))
   ( segid W   and resid 555   and name HG2%) 
      3.700     3.100     2.300 peak  2351 weight  0.10000E+01 volume  0.27054E-02 ppm1      9.126 ppm2      1.002 CV     1
 ASSI { 2353}
   (( segid W   and resid 545   and name HN ))
   ( segid W   and resid 545   and name HG2%) 
      3.200     2.300     2.300 peak  2353 weight  0.10000E+01 volume  0.18733E-02 ppm1      8.979 ppm2      0.828 CV     1
 ASSI { 2357}
   (( segid W   and resid 538   and name HN ))
   ( segid W   and resid 545   and name HG2%) 
      3.200     2.400     2.400 peak  2357 weight  0.10000E+01 volume  0.22728E-02 ppm1      8.068 ppm2      0.827 CV     1
 ASSI { 2358}
   (( segid W   and resid 539   and name HN ))
   ( segid W   and resid 545   and name HG2%) 
      4.600     4.600     1.400 peak  2358 weight  0.10000E+01 volume  0.44545E-03 ppm1      8.331 ppm2      0.830 CV     1
 ASSI { 2361}
   ( segid W   and resid 546   and name HD% )
   ( segid W   and resid 555   and name HG2%) 
      3.000     2.000     2.000 peak  2361 weight  0.10000E+01 volume  0.36591E-02 ppm1      7.029 ppm2      1.002 CV     1
 OR { 2361}
   (( segid W   and resid 546   and name HZ ))
   ( segid W   and resid 555   and name HG2%) 
 ASSI { 2371}
   (( segid P   and resid 232   and name HA ))
   ( segid W   and resid 555   and name HG2%) 
      3.000     2.000     2.000 peak  2371 weight  0.10000E+01 volume  0.23180E-02 ppm1      3.468 ppm2      1.003 CV     1
 ASSI { 2378}
   (( segid W   and resid 548   and name HB ))
   ( segid W   and resid 555   and name HG2%) 
      4.100     3.700     1.900 peak  2378 weight  0.10000E+01 volume  0.11776E-02 ppm1      1.451 ppm2      1.002 CV     1
 ASSI { 2380}
   ( segid W   and resid 548   and name HD1%) 
   ( segid W   and resid 555   and name HG2%) 
      3.800     3.300     2.200 peak  2380 weight  0.10000E+01 volume  0.23748E-02 ppm1      0.361 ppm2      1.003 CV     1
 ASSI { 2391}
   (( segid W   and resid 538   and name HA ))
   ( segid W   and resid 545   and name HG2%) 
      4.200     4.000     1.800 peak  2391 weight  0.10000E+01 volume  0.59110E-03 ppm1      4.291 ppm2      0.830 CV     1
 ASSI { 2392}
   (( segid W   and resid 539   and name HA ))
   ( segid W   and resid 545   and name HG2%) 
      2.800     1.900     1.900 peak  2392 weight  0.10000E+01 volume  0.18560E-02 ppm1      4.428 ppm2      0.827 CV     1
 ASSI { 2393}
   (( segid W   and resid 545   and name HA ))
   ( segid W   and resid 545   and name HG2%) 
      2.500     1.500     1.500 peak  2393 weight  0.10000E+01 volume  0.49468E-02 ppm1      4.713 ppm2      0.827 CV     1
 ASSI { 2397}
   (( segid W   and resid 540   and name HN ))
   ( segid W   and resid 539   and name HG1%) 
      2.500     1.500     1.500 peak  2397 weight  0.10000E+01 volume  0.66823E-02 ppm1      9.388 ppm2      0.970 CV     1
 ASSI { 2399}
   (( segid W   and resid 545   and name HN ))
   ( segid W   and resid 539   and name HG1%) 
      4.200     3.900     1.800 peak  2399 weight  0.10000E+01 volume  0.67369E-03 ppm1      8.981 ppm2      0.968 CV     1
 ASSI { 2402}
   (( segid W   and resid 539   and name HN ))
   ( segid W   and resid 539   and name HG2%) 
      2.300     1.300     1.300 peak  2402 weight  0.10000E+01 volume  0.92188E-02 ppm1      8.339 ppm2      0.882 CV     1
 ASSI { 2404}
   (( segid W   and resid 539   and name HN ))
   ( segid W   and resid 539   and name HG1%) 
      3.700     3.100     2.300 peak  2404 weight  0.10000E+01 volume  0.30307E-02 ppm1      8.339 ppm2      0.969 CV     1
 ASSI { 2411}
   (( segid W   and resid 545   and name HA ))
   ( segid W   and resid 539   and name HG2%) 
      3.800     3.200     2.200 peak  2411 weight  0.10000E+01 volume  0.27356E-02 ppm1      4.715 ppm2      0.882 CV     1
 ASSI { 2412}
   (( segid W   and resid 545   and name HA ))
   ( segid W   and resid 539   and name HG1%) 
      3.400     2.700     2.600 peak  2412 weight  0.10000E+01 volume  0.25923E-02 ppm1      4.721 ppm2      0.970 CV     1
 ASSI { 2414}
   (( segid W   and resid 538   and name HA ))
   ( segid W   and resid 539   and name HG2%) 
      3.500     2.800     2.500 peak  2414 weight  0.10000E+01 volume  0.28637E-02 ppm1      4.309 ppm2      0.882 CV     1
 ASSI { 2415}
   (( segid W   and resid 539   and name HA ))
   ( segid W   and resid 539   and name HG1%) 
      2.300     1.200     1.200 peak  2415 weight  0.10000E+01 volume  0.95146E-02 ppm1      4.424 ppm2      0.970 CV     1
 ASSI { 2416}
   (( segid W   and resid 538   and name HA ))
   ( segid W   and resid 539   and name HG1%) 
      3.600     2.900     2.400 peak  2416 weight  0.10000E+01 volume  0.51826E-02 ppm1      4.301 ppm2      0.970 CV     1
 ASSI { 2418}
   (( segid W   and resid 545   and name HB ))
   ( segid W   and resid 539   and name HG2%) 
      5.500     5.500     0.500 peak  2418 weight  0.10000E+01 volume  0.35011E-03 ppm1      4.052 ppm2      0.888 CV     1
 ASSI { 2423}
   (( segid W   and resid 538   and name HG1 ))
   ( segid W   and resid 539   and name HG2%) 
      4.200     3.900     1.800 peak  2423 weight  0.10000E+01 volume  0.11435E-02 ppm1      2.094 ppm2      0.881 CV     1
 OR { 2423}
   (( segid W   and resid 538   and name HG2 ))
   ( segid W   and resid 539   and name HG2%) 
 ASSI { 2425}
   (( segid W   and resid 539   and name HB ))
   ( segid W   and resid 539   and name HG2%) 
      2.100     1.100     1.100 peak  2425 weight  0.10000E+01 volume  0.17101E-01 ppm1      1.879 ppm2      0.882 CV     1
 ASSI { 2426}
   (( segid W   and resid 539   and name HB ))
   ( segid W   and resid 539   and name HG1%) 
      2.100     1.100     1.100 peak  2426 weight  0.10000E+01 volume  0.17908E-01 ppm1      1.880 ppm2      0.970 CV     1
 ASSI { 2442}
   (( segid W   and resid 558   and name HN ))
   ( segid W   and resid 558   and name HD1%) 
      3.300     2.600     2.600 peak  2442 weight  0.10000E+01 volume  0.26135E-02 ppm1      8.683 ppm2      0.842 CV     1
 ASSI { 2444}
   (( segid W   and resid 559   and name HN ))
   ( segid W   and resid 558   and name HD1%) 
      4.300     4.200     1.700 peak  2444 weight  0.10000E+01 volume  0.14908E-02 ppm1      7.926 ppm2      0.839 CV     1
 ASSI { 2447}
   (( segid W   and resid 565   and name HA ))
   ( segid W   and resid 558   and name HD1%) 
      2.900     2.000     2.000 peak  2447 weight  0.10000E+01 volume  0.28698E-02 ppm1      4.597 ppm2      0.839 CV     1
 ASSI { 2449}
   (( segid W   and resid 558   and name HA ))
   ( segid W   and resid 558   and name HD1%) 
      2.600     1.600     1.600 peak  2449 weight  0.10000E+01 volume  0.53003E-02 ppm1      3.790 ppm2      0.841 CV     1
 ASSI { 2450}
   (( segid W   and resid 557   and name HB2 ))
   ( segid W   and resid 558   and name HD1%) 
      3.300     2.600     2.600 peak  2450 weight  0.10000E+01 volume  0.15520E-02 ppm1      3.101 ppm2      0.843 CV     1
 ASSI { 2452}
   (( segid W   and resid 558   and name HB ))
   ( segid W   and resid 558   and name HD1%) 
      3.000     2.100     2.100 peak  2452 weight  0.10000E+01 volume  0.55173E-02 ppm1      1.926 ppm2      0.843 CV     1
 ASSI { 2453}
   (( segid W   and resid 558   and name HG11)) 
   ( segid W   and resid 558   and name HD1%) 
      2.200     1.200     1.200 peak  2453 weight  0.10000E+01 volume  0.10994E-01 ppm1      1.567 ppm2      0.843 CV     1
 ASSI { 2455}
   (( segid W   and resid 558   and name HG12)) 
   ( segid W   and resid 558   and name HD1%) 
      2.200     1.200     1.200 peak  2455 weight  0.10000E+01 volume  0.11664E-01 ppm1      1.244 ppm2      0.842 CV     1
 ASSI { 2456}
   ( segid W   and resid 558   and name HG2%) 
   ( segid W   and resid 558   and name HD1%) 
      2.200     2.200     3.800 peak  2456 weight  0.10000E+01 volume  0.12824E-01 ppm1      0.561 ppm2      0.840 CV     1
 ASSI { 2459}
   (( segid W   and resid 538   and name HE21)) 
   (( segid W   and resid 538   and name HB2 ))
      4.000     3.600     2.000 peak  2459 weight  0.10000E+01 volume  0.73217E-03 ppm1      7.541 ppm2      1.098 CV     1
 ASSI { 2460}
   ( segid W   and resid 546   and name HE% )
   (( segid W   and resid 538   and name HB2 ))
      4.300     4.100     1.700 peak  2460 weight  0.10000E+01 volume  0.56077E-03 ppm1      6.766 ppm2      1.107 CV     1
 ASSI { 2461}
   (( segid W   and resid 538   and name HE22)) 
   (( segid W   and resid 538   and name HB2 ))
      4.800     4.800     1.200 peak  2461 weight  0.10000E+01 volume  0.38400E-03 ppm1      7.281 ppm2      1.097 CV     1
 ASSI { 2462}
   (( segid W   and resid 546   and name HZ ))
   (( segid W   and resid 538   and name HB2 ))
      4.500     4.500     1.500 peak  2462 weight  0.10000E+01 volume  0.54596E-03 ppm1      7.011 ppm2      1.099 CV     1
 ASSI { 2466}
   (( segid W   and resid 538   and name HB1 ))
   (( segid W   and resid 538   and name HB2 ))
      1.800     0.800     0.800 peak  2466 weight  0.10000E+01 volume  0.79534E-02 ppm1      1.335 ppm2      1.107 CV     1
 ASSI { 2467}
   ( segid W   and resid 548   and name HD1%) 
   (( segid W   and resid 538   and name HB2 ))
      2.800     1.800     1.800 peak  2467 weight  0.10000E+01 volume  0.14851E-02 ppm1      0.358 ppm2      1.105 CV     1
 ASSI { 2468}
   (( segid W   and resid 538   and name HG1 ))
   ( segid W   and resid 548   and name HD1%) 
      3.100     2.300     2.300 peak  2468 weight  0.10000E+01 volume  0.39976E-02 ppm1      2.088 ppm2      0.361 CV     1
 OR { 2468}
   (( segid W   and resid 538   and name HG2 ))
   ( segid W   and resid 548   and name HD1%) 
 ASSI { 2472}
   (( segid W   and resid 548   and name HB ))
   ( segid W   and resid 548   and name HD1%) 
      2.200     1.200     1.200 peak  2472 weight  0.10000E+01 volume  0.82220E-02 ppm1      1.457 ppm2      0.360 CV     1
 ASSI { 2475}
   (( segid W   and resid 548   and name HG12)) 
   ( segid W   and resid 548   and name HD1%) 
      2.000     1.000     1.000 peak  2475 weight  0.10000E+01 volume  0.15345E-01 ppm1      0.600 ppm2      0.361 CV     1
 ASSI { 2476}
   ( segid W   and resid 548   and name HG2%) 
   ( segid W   and resid 548   and name HD1%) 
      2.500     2.500     3.500 peak  2476 weight  0.10000E+01 volume  0.74327E-02 ppm1      0.155 ppm2      0.361 CV     1
 ASSI { 2482}
   (( segid W   and resid 536   and name HB1 ))
   ( segid W   and resid 548   and name HD1%) 
      3.000     2.200     2.200 peak  2482 weight  0.10000E+01 volume  0.23832E-02 ppm1      3.906 ppm2      0.360 CV     1
 ASSI { 2490}
   (( segid W   and resid 546   and name HZ ))
   ( segid W   and resid 548   and name HD1%) 
      3.300     2.600     2.600 peak  2490 weight  0.10000E+01 volume  0.32875E-02 ppm1      7.019 ppm2      0.361 CV     1
 OR { 2490}
   ( segid W   and resid 546   and name HD% )
   ( segid W   and resid 548   and name HD1%) 
 ASSI { 2493}
   (( segid W   and resid 548   and name HN ))
   ( segid W   and resid 548   and name HD1%) 
      3.300     2.500     2.500 peak  2493 weight  0.10000E+01 volume  0.27671E-02 ppm1      9.176 ppm2      0.360 CV     1
 ASSI { 2494}
   (( segid W   and resid 537   and name HN ))
   ( segid W   and resid 548   and name HD1%) 
      3.600     3.000     2.400 peak  2494 weight  0.10000E+01 volume  0.11524E-02 ppm1      8.693 ppm2      0.361 CV     1
 ASSI { 2497}
   (( segid W   and resid 536   and name HN ))
   ( segid W   and resid 548   and name HD1%) 
      4.200     4.000     1.800 peak  2497 weight  0.10000E+01 volume  0.11151E-02 ppm1      9.630 ppm2      0.359 CV     1
 ASSI { 2499}
   (( segid W   and resid 538   and name HN ))
   ( segid W   and resid 548   and name HD1%) 
      3.500     2.800     2.500 peak  2499 weight  0.10000E+01 volume  0.19896E-02 ppm1      8.065 ppm2      0.360 CV     1
 ASSI { 2500}
   (( segid W   and resid 550   and name HN ))
   (( segid W   and resid 549   and name HB2 ))
      5.000     5.000     1.000 peak  2500 weight  0.10000E+01 volume  0.38296E-03 ppm1      8.534 ppm2      0.593 CV     1
 ASSI { 2504}
   (( segid W   and resid 552   and name HN ))
   (( segid W   and resid 549   and name HB2 ))
      5.300     5.300     0.700 peak  2504 weight  0.10000E+01 volume  0.25707E-03 ppm1      6.975 ppm2      0.587 CV     1
 ASSI { 2505}
   (( segid W   and resid 535   and name HA ))
   (( segid W   and resid 549   and name HB2 ))
      5.100     5.100     0.900 peak  2505 weight  0.10000E+01 volume  0.26615E-03 ppm1      6.230 ppm2      0.599 CV     1
 ASSI { 2517}
   ( segid W   and resid 548   and name HG2%) 
   (( segid W   and resid 549   and name HB2 ))
      5.000     5.000     1.000 peak  2517 weight  0.10000E+01 volume  0.34908E-03 ppm1      0.166 ppm2      0.565 CV     1
 ASSI { 2518}
   (( segid W   and resid 559   and name HA ))
   ( segid W   and resid 558   and name HG2%) 
      4.100     3.800     1.900 peak  2518 weight  0.10000E+01 volume  0.69979E-03 ppm1      2.326 ppm2      0.563 CV     1
 ASSI { 2520}
   (( segid W   and resid 558   and name HB ))
   ( segid W   and resid 558   and name HG2%) 
      2.100     1.100     1.100 peak  2520 weight  0.10000E+01 volume  0.12928E-01 ppm1      1.924 ppm2      0.562 CV     1
 ASSI { 2521}
   (( segid W   and resid 558   and name HG11)) 
   ( segid W   and resid 558   and name HG2%) 
      2.600     1.600     1.600 peak  2521 weight  0.10000E+01 volume  0.58762E-02 ppm1      1.570 ppm2      0.562 CV     1
 ASSI { 2523}
   (( segid W   and resid 558   and name HG12)) 
   ( segid W   and resid 558   and name HG2%) 
      2.800     1.900     1.900 peak  2523 weight  0.10000E+01 volume  0.59058E-02 ppm1      1.245 ppm2      0.562 CV     1
 ASSI { 2528}
   (( segid W   and resid 558   and name HA ))
   ( segid W   and resid 558   and name HG2%) 
      2.300     1.300     1.300 peak  2528 weight  0.10000E+01 volume  0.81144E-02 ppm1      3.793 ppm2      0.562 CV     1
 ASSI { 2529}
   (( segid W   and resid 563   and name HA1 ))
   ( segid W   and resid 558   and name HG2%) 
      2.300     2.300     3.700 peak  2529 weight  0.10000E+01 volume  0.50209E-02 ppm1      3.649 ppm2      0.562 CV     1
 ASSI { 2530}
   (( segid W   and resid 565   and name HA ))
   ( segid W   and resid 558   and name HG2%) 
      3.800     3.300     2.200 peak  2530 weight  0.10000E+01 volume  0.17184E-02 ppm1      4.598 ppm2      0.561 CV     1
 ASSI { 2531}
   (( segid W   and resid 564   and name HA ))
   ( segid W   and resid 558   and name HG2%) 
      3.200     2.300     2.300 peak  2531 weight  0.10000E+01 volume  0.13424E-02 ppm1      4.431 ppm2      0.561 CV     1
 ASSI { 2532}
   (( segid W   and resid 558   and name HN ))
   ( segid W   and resid 558   and name HG2%) 
      3.700     3.100     2.300 peak  2532 weight  0.10000E+01 volume  0.28160E-02 ppm1      8.685 ppm2      0.562 CV     1
 ASSI { 2559}
   (( segid W   and resid 536   and name HN ))
   ( segid W   and resid 548   and name HG2%) 
      3.900     3.500     2.100 peak  2559 weight  0.10000E+01 volume  0.11959E-02 ppm1      9.628 ppm2      0.162 CV     1
 ASSI { 2564}
   (( segid W   and resid 549   and name HN ))
   ( segid W   and resid 548   and name HG2%) 
      2.700     1.700     1.700 peak  2564 weight  0.10000E+01 volume  0.37395E-02 ppm1      8.269 ppm2      0.160 CV     1
 ASSI { 2568}
   ( segid W   and resid 546   and name HD% )
   ( segid W   and resid 548   and name HG2%) 
      4.200     4.000     1.800 peak  2568 weight  0.10000E+01 volume  0.14373E-02 ppm1      7.021 ppm2      0.159 CV     1
 OR { 2568}
   (( segid W   and resid 546   and name HZ ))
   ( segid W   and resid 548   and name HG2%) 
 ASSI { 2571}
   (( segid W   and resid 555   and name HA ))
   ( segid W   and resid 548   and name HG2%) 
      4.000     3.600     2.000 peak  2571 weight  0.10000E+01 volume  0.11694E-02 ppm1      5.517 ppm2      0.159 CV     1
 ASSI { 2578}
   (( segid W   and resid 553   and name HA ))
   ( segid W   and resid 548   and name HG2%) 
      4.400     4.300     1.600 peak  2578 weight  0.10000E+01 volume  0.57571E-03 ppm1      2.299 ppm2      0.164 CV     1
 ASSI { 2582}
   (( segid P   and resid 232   and name HB2 ))
   ( segid W   and resid 548   and name HG2%) 
      4.200     4.000     1.800 peak  2582 weight  0.10000E+01 volume  0.40869E-03 ppm1      2.562 ppm2      0.156 CV     1
 ASSI { 2584}
   (( segid W   and resid 548   and name HB ))
   ( segid W   and resid 548   and name HG2%) 
      2.100     1.100     1.100 peak  2584 weight  0.10000E+01 volume  0.93798E-02 ppm1      1.455 ppm2      0.159 CV     1
 ASSI { 2586}
   (( segid W   and resid 548   and name HG11)) 
   ( segid W   and resid 548   and name HG2%) 
      3.300     2.500     2.500 peak  2586 weight  0.10000E+01 volume  0.39160E-02 ppm1      1.100 ppm2      0.159 CV     1
 ASSI { 2587}
   ( segid W   and resid 555   and name HG2%) 
   ( segid W   and resid 548   and name HG2%) 
      2.700     1.800     1.800 peak  2587 weight  0.10000E+01 volume  0.47442E-02 ppm1      1.009 ppm2      0.159 CV     1
 ASSI { 2588}
   (( segid W   and resid 548   and name HG12)) 
   ( segid W   and resid 548   and name HG2%) 
      2.200     1.200     1.200 peak  2588 weight  0.10000E+01 volume  0.63580E-02 ppm1      0.603 ppm2      0.160 CV     1
 ASSI { 2632}
   (( segid W   and resid 566   and name HN ))
   ( segid W   and resid 565   and name HB% )
      3.300     2.500     2.500 peak  2632 weight  0.10000E+01 volume  0.38845E-02 ppm1      8.431 ppm2      1.367 CV     1
 ASSI { 2638}
   (( segid W   and resid 565   and name HA ))
   ( segid W   and resid 565   and name HB% )
      2.200     1.200     1.200 peak  2638 weight  0.10000E+01 volume  0.10370E-01 ppm1      4.594 ppm2      1.367 CV     1
 ASSI { 2639}
   (( segid W   and resid 564   and name HA ))
   ( segid W   and resid 565   and name HB% )
      4.100     3.800     1.900 peak  2639 weight  0.10000E+01 volume  0.15871E-02 ppm1      4.429 ppm2      1.368 CV     1
 ASSI { 2641}
   (( segid W   and resid 566   and name HB1 ))
   ( segid W   and resid 565   and name HB% )
      4.600     4.600     1.400 peak  2641 weight  0.10000E+01 volume  0.45326E-03 ppm1      4.082 ppm2      1.363 CV     1
 ASSI { 2642}
   (( segid W   and resid 557   and name HB1 ))
   ( segid W   and resid 565   and name HB% )
      3.000     2.100     2.100 peak  2642 weight  0.10000E+01 volume  0.21634E-02 ppm1      3.855 ppm2      1.367 CV     1
 ASSI { 2650}
   (( segid W   and resid 552   and name HN ))
   ( segid W   and resid 551   and name HB% )
      2.400     1.400     1.400 peak  2650 weight  0.10000E+01 volume  0.66288E-02 ppm1      6.992 ppm2      1.403 CV     1
 ASSI { 2652}
   (( segid W   and resid 552   and name HB1 ))
   ( segid W   and resid 551   and name HB% )
      4.700     4.700     1.300 peak  2652 weight  0.10000E+01 volume  0.74431E-03 ppm1      3.649 ppm2      1.405 CV     1
 ASSI { 2654}
   (( segid W   and resid 534   and name HD1 ))
   ( segid W   and resid 551   and name HB% )
      3.500     2.800     2.500 peak  2654 weight  0.10000E+01 volume  0.48407E-02 ppm1      3.172 ppm2      1.402 CV     1
 ASSI { 2655}
   (( segid W   and resid 534   and name HB1 ))
   ( segid W   and resid 551   and name HB% )
      3.200     2.300     2.300 peak  2655 weight  0.10000E+01 volume  0.25059E-02 ppm1      2.389 ppm2      1.402 CV     1
 ASSI { 2656}
   (( segid W   and resid 534   and name HB2 ))
   ( segid W   and resid 551   and name HB% )
      3.100     2.200     2.200 peak  2656 weight  0.10000E+01 volume  0.23364E-02 ppm1      2.033 ppm2      1.403 CV     1
 ASSI { 2657}
   (( segid W   and resid 534   and name HG1 ))
   ( segid W   and resid 551   and name HB% )
      3.100     2.300     2.300 peak  2657 weight  0.10000E+01 volume  0.14487E-02 ppm1      1.652 ppm2      1.403 CV     1
 ASSI { 2667}
   (( segid W   and resid 531   and name HN ))
   (( segid W   and resid 531   and name HB1 ))
      2.900     1.900     1.900 peak  2667 weight  0.10000E+01 volume  0.24849E-02 ppm1      8.553 ppm2      1.470 CV     1
 ASSI { 2668}
   (( segid W   and resid 536   and name HN ))
   (( segid W   and resid 531   and name HB1 ))
      4.200     3.900     1.800 peak  2668 weight  0.10000E+01 volume  0.10762E-02 ppm1      9.627 ppm2      1.454 CV     1
 ASSI { 2669}
   (( segid W   and resid 548   and name HN ))
   (( segid W   and resid 531   and name HB1 ))
      2.700     2.700     3.300 peak  2669 weight  0.10000E+01 volume  0.13280E-02 ppm1      9.181 ppm2      1.452 CV     1
 ASSI { 2670}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 531   and name HB1 ))
      5.700     5.700     0.300 peak  2670 weight  0.10000E+01 volume  0.30899E-03 ppm1      7.087 ppm2      1.484 CV     1
 ASSI { 2672}
   (( segid W   and resid 535   and name HE3 ))
   (( segid W   and resid 531   and name HB1 ))
      5.300     5.300     0.700 peak  2672 weight  0.10000E+01 volume  0.28993E-03 ppm1      7.567 ppm2      1.474 CV     1
 ASSI { 2673}
   ( segid W   and resid 547   and name HE% )
   (( segid W   and resid 531   and name HB1 ))
      5.500     5.500     0.500 peak  2673 weight  0.10000E+01 volume  0.31496E-03 ppm1      7.297 ppm2      1.471 CV     1
 ASSI { 2675}
   (( segid W   and resid 530   and name HA ))
   (( segid W   and resid 531   and name HB1 ))
      4.600     4.600     1.400 peak  2675 weight  0.10000E+01 volume  0.54079E-03 ppm1      4.447 ppm2      1.468 CV     1
 ASSI { 2677}
   (( segid W   and resid 536   and name HA ))
   (( segid W   and resid 531   and name HB1 ))
      4.600     4.600     1.400 peak  2677 weight  0.10000E+01 volume  0.32978E-03 ppm1      4.919 ppm2      1.464 CV     1
 ASSI { 2678}
   (( segid W   and resid 536   and name HB1 ))
   (( segid W   and resid 531   and name HB1 ))
      4.400     4.400     1.600 peak  2678 weight  0.10000E+01 volume  0.81406E-03 ppm1      3.903 ppm2      1.453 CV     1
 ASSI { 2680}
   (( segid W   and resid 532   and name HD2 ))
   (( segid W   and resid 531   and name HB1 ))
      3.700     3.200     2.300 peak  2680 weight  0.10000E+01 volume  0.18249E-02 ppm1      2.873 ppm2      1.468 CV     1
 ASSI { 2681}
   (( segid W   and resid 531   and name HB2 ))
   (( segid W   and resid 531   and name HB1 ))
      1.900     0.900     0.900 peak  2681 weight  0.10000E+01 volume  0.74263E-02 ppm1      1.770 ppm2      1.469 CV     1
 OR { 2681}
   (( segid W   and resid 531   and name HG ))
   (( segid W   and resid 531   and name HB1 ))
 ASSI { 2694}
   (( segid W   and resid 555   and name HA ))
   (( segid W   and resid 548   and name HB ))
      5.300     5.300     0.700 peak  2694 weight  0.10000E+01 volume  0.29463E-03 ppm1      5.539 ppm2      1.455 CV     1
 ASSI { 2695}
   (( segid W   and resid 536   and name HA ))
   (( segid W   and resid 548   and name HB ))
      4.900     4.900     1.100 peak  2695 weight  0.10000E+01 volume  0.51885E-03 ppm1      4.926 ppm2      1.453 CV     1
 ASSI { 2696}
   (( segid W   and resid 536   and name HN ))
   (( segid W   and resid 548   and name HB ))
      3.000     2.100     2.100 peak  2696 weight  0.10000E+01 volume  0.22282E-02 ppm1      9.629 ppm2      1.454 CV     1
 ASSI { 2698}
   (( segid W   and resid 549   and name HN ))
   (( segid W   and resid 548   and name HB ))
      4.300     4.100     1.700 peak  2698 weight  0.10000E+01 volume  0.53665E-03 ppm1      8.263 ppm2      1.439 CV     1
 ASSI { 2703}
   (( segid W   and resid 535   and name HA ))
   (( segid W   and resid 548   and name HB ))
      4.100     3.800     1.900 peak  2703 weight  0.10000E+01 volume  0.58384E-03 ppm1      6.252 ppm2      1.452 CV     1
 ASSI { 2720}
   ( segid W   and resid 548   and name HD1%) 
   (( segid W   and resid 538   and name HB1 ))
      3.900     3.400     2.100 peak  2720 weight  0.10000E+01 volume  0.97692E-03 ppm1      0.361 ppm2      1.331 CV     1
 ASSI { 2725}
   (( segid W   and resid 546   and name HZ ))
   (( segid W   and resid 538   and name HB1 ))
      3.200     2.400     2.400 peak  2725 weight  0.10000E+01 volume  0.74844E-03 ppm1      7.009 ppm2      1.329 CV     1
 ASSI { 2726}
   ( segid W   and resid 546   and name HE% )
   (( segid W   and resid 538   and name HB1 ))
      3.400     2.700     2.600 peak  2726 weight  0.10000E+01 volume  0.68323E-03 ppm1      6.764 ppm2      1.332 CV     1
 ASSI { 2728}
   (( segid W   and resid 539   and name HN ))
   (( segid W   and resid 538   and name HB1 ))
      3.200     2.400     2.400 peak  2728 weight  0.10000E+01 volume  0.21208E-02 ppm1      8.340 ppm2      1.331 CV     1
 ASSI { 2731}
   (( segid W   and resid 535   and name HE1 ))
   (( segid W   and resid 560   and name HB2 ))
      4.500     4.400     1.500 peak  2731 weight  0.10000E+01 volume  0.30302E-03 ppm1     10.109 ppm2      0.697 CV     1
 ASSI { 2734}
   (( segid W   and resid 550   and name HE1 ))
   (( segid W   and resid 550   and name HD2 ))
      4.500     4.500     1.500 peak  2734 weight  0.10000E+01 volume  0.49829E-03 ppm1      7.568 ppm2      6.796 CV     1
 ASSI { 2736}
   (( segid W   and resid 557   and name HZ3 ))
   (( segid W   and resid 557   and name HE3 ))
      3.000     2.000     2.000 peak  2736 weight  0.10000E+01 volume  0.11466E-02 ppm1      6.923 ppm2      8.236 CV     1
 ASSI { 2738}
   (( segid W   and resid 558   and name HG12)) 
   (( segid W   and resid 557   and name HE3 ))
      5.100     5.100     0.900 peak  2738 weight  0.10000E+01 volume  0.21112E-03 ppm1      1.231 ppm2      8.216 CV     1
 ASSI { 2739}
   (( segid P   and resid 229   and name HB2 ))
   (( segid W   and resid 557   and name HE3 ))
      4.300     4.200     1.700 peak  2739 weight  0.10000E+01 volume  0.30451E-03 ppm1      0.776 ppm2      8.220 CV     1
 ASSI { 2740}
   (( segid W   and resid 557   and name HZ2 ))
   (( segid W   and resid 557   and name HZ3 ))
      3.800     3.300     2.200 peak  2740 weight  0.10000E+01 volume  0.13624E-02 ppm1      7.130 ppm2      6.910 CV     1
 ASSI { 2746}
   (( segid W   and resid 559   and name HN ))
   (( segid W   and resid 560   and name HD2 ))
      4.900     4.900     1.100 peak  2746 weight  0.10000E+01 volume  0.36861E-03 ppm1      7.913 ppm2      2.731 CV     1
 ASSI { 2748}
   (( segid W   and resid 531   and name HB2 ))
   (( segid W   and resid 535   and name HA ))
      4.800     4.800     1.200 peak  2748 weight  0.10000E+01 volume  0.22824E-03 ppm1      1.783 ppm2      6.252 CV     1
 ASSI { 2752}
   (( segid W   and resid 560   and name HG2 ))
   (( segid W   and resid 560   and name HG1 ))
      1.800     0.800     0.800 peak  2752 weight  0.10000E+01 volume  0.46274E-02 ppm1      0.584 ppm2      0.172 CV     1
 ASSI { 2758}
   (( segid P   and resid 229   and name HA ))
   (( segid W   and resid 557   and name HZ2 ))
      3.700     3.100     2.300 peak  2758 weight  0.10000E+01 volume  0.53907E-03 ppm1      3.743 ppm2      7.144 CV     1
 ASSI { 2764}
   (( segid P   and resid 229   and name HB1 ))
   (( segid W   and resid 557   and name HD1 ))
      4.600     4.600     1.400 peak  2764 weight  0.10000E+01 volume  0.43006E-03 ppm1      1.392 ppm2      7.246 CV     1
 ASSI { 2772}
   (( segid W   and resid 548   and name HG12)) 
   ( segid W   and resid 555   and name HG2%) 
      2.400     1.400     1.400 peak  2772 weight  0.10000E+01 volume  0.39491E-02 ppm1      0.599 ppm2      1.003 CV     1
 ASSI { 2774}
   (( segid W   and resid 560   and name HG1 ))
   (( segid W   and resid 535   and name HB2 ))
      4.000     3.600     2.000 peak  2774 weight  0.10000E+01 volume  0.29555E-03 ppm1      0.170 ppm2      3.318 CV     1
 ASSI { 2775}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 535   and name HB1 ))
      6.000     6.000     0.000 peak  2775 weight  0.10000E+01 volume  0.24673E-03 ppm1      7.119 ppm2      3.237 CV     1
 ASSI { 2779}
   (( segid W   and resid 550   and name HN ))
   (( segid W   and resid 548   and name HA ))
      5.400     5.400     0.600 peak  2779 weight  0.10000E+01 volume  0.27338E-03 ppm1      8.519 ppm2      4.216 CV     1
 ASSI { 2780}
   (( segid W   and resid 535   and name HE3 ))
   (( segid W   and resid 549   and name HB2 ))
      4.200     4.000     1.800 peak  2780 weight  0.10000E+01 volume  0.26408E-03 ppm1      7.572 ppm2      0.596 CV     1
 ASSI { 2781}
   ( segid P   and resid 232   and name HE% )
   (( segid W   and resid 550   and name HB2 ))
      5.000     5.000     1.000 peak  2781 weight  0.10000E+01 volume  0.25224E-03 ppm1      6.416 ppm2      3.105 CV     1
 ASSI { 2782}
   (( segid W   and resid 553   and name HA ))
   (( segid W   and resid 552   and name HB1 ))
      5.000     5.000     1.000 peak  2782 weight  0.10000E+01 volume  0.27843E-03 ppm1      2.280 ppm2      3.640 CV     1
 ASSI { 2788}
   (( segid W   and resid 542   and name HD22)) 
   (( segid W   and resid 544   and name HD1 ))
      3.900     3.400     2.100 peak  2788 weight  0.10000E+01 volume  0.30497E-03 ppm1      7.565 ppm2      1.287 CV     1
 ASSI { 2789}
   (( segid W   and resid 557   and name HH2 ))
   (( segid W   and resid 544   and name HD1 ))
      4.400     4.300     1.600 peak  2789 weight  0.10000E+01 volume  0.44281E-03 ppm1      6.967 ppm2      1.300 CV     1
 ASSI { 2790}
   (( segid W   and resid 542   and name HD21)) 
   (( segid W   and resid 544   and name HD1 ))
      4.100     3.800     1.900 peak  2790 weight  0.10000E+01 volume  0.38664E-03 ppm1      5.534 ppm2      1.302 CV     1
 ASSI { 2794}
   (( segid W   and resid 544   and name HB1 ))
   (( segid W   and resid 544   and name HD1 ))
      3.300     2.500     2.500 peak  2794 weight  0.10000E+01 volume  0.11390E-02 ppm1      1.921 ppm2      1.300 CV     1
 ASSI { 2798}
   ( segid P   and resid 229   and name HD2%) 
   (( segid W   and resid 557   and name HA ))
      5.100     5.100     0.900 peak  2798 weight  0.10000E+01 volume  0.27534E-03 ppm1     -0.915 ppm2      5.462 CV     1
 ASSI { 2799}
   (( segid P   and resid 230   and name HB2 ))
   ( segid W   and resid 555   and name HG2%) 
      3.100     2.300     2.300 peak  2799 weight  0.10000E+01 volume  0.11939E-02 ppm1      1.163 ppm2      0.998 CV     1
 ASSI { 2800}
   (( segid W   and resid 535   and name HB2 ))
   (( segid W   and resid 548   and name HB ))
      4.800     4.800     1.200 peak  2800 weight  0.10000E+01 volume  0.43534E-03 ppm1      3.308 ppm2      1.458 CV     1
 ASSI { 2803}
   (( segid P   and resid 229   and name HB2 ))
   (( segid W   and resid 557   and name HH2 ))
      4.800     4.800     1.200 peak  2803 weight  0.10000E+01 volume  0.20446E-03 ppm1      0.751 ppm2      6.978 CV     1
 ASSI { 2804}
   (( segid P   and resid 229   and name HA ))
   (( segid W   and resid 557   and name HH2 ))
      3.900     3.400     2.100 peak  2804 weight  0.10000E+01 volume  0.28797E-03 ppm1      3.676 ppm2      6.983 CV     1
 ASSI { 2813}
   (( segid W   and resid 538   and name HG2 ))
   (( segid W   and resid 548   and name HG11)) 
      5.200     5.200     0.800 peak  2813 weight  0.10000E+01 volume  0.33231E-03 ppm1      2.065 ppm2      1.096 CV     1
 OR { 2813}
   (( segid W   and resid 538   and name HG1 ))
   (( segid W   and resid 548   and name HG11)) 
 ASSI { 2822}
   (( segid W   and resid 554   and name HN ))
   ( segid W   and resid 555   and name HG2%) 
      4.700     4.700     1.300 peak  2822 weight  0.10000E+01 volume  0.27752E-03 ppm1      7.456 ppm2      1.003 CV     1
 ASSI { 2824}
   (( segid W   and resid 556   and name HB ))
   (( segid W   and resid 535   and name HZ3 ))
      5.600     5.600     0.400 peak  2824 weight  0.10000E+01 volume  0.22456E-03 ppm1      4.389 ppm2      6.836 CV     1
 ASSI { 2825}
   (( segid W   and resid 547   and name HA ))
   (( segid W   and resid 535   and name HZ3 ))
      5.400     5.400     0.600 peak  2825 weight  0.10000E+01 volume  0.23950E-03 ppm1      5.132 ppm2      6.845 CV     1
 ASSI { 2827}
   (( segid W   and resid 544   and name HD2 ))
   (( segid W   and resid 557   and name HZ3 ))
      5.200     5.200     0.800 peak  2827 weight  0.10000E+01 volume  0.26626E-03 ppm1      2.449 ppm2      6.908 CV     1
 ASSI { 2835}
   (( segid P   and resid 229   and name HB2 ))
   (( segid W   and resid 557   and name HD1 ))
      4.600     4.600     1.400 peak  2835 weight  0.10000E+01 volume  0.29360E-03 ppm1      0.776 ppm2      7.240 CV     1
 ASSI { 2841}
   (( segid W   and resid 558   and name HB ))
   (( segid W   and resid 556   and name HB ))
      5.000     5.000     1.000 peak  2841 weight  0.10000E+01 volume  0.32117E-03 ppm1      1.903 ppm2      4.423 CV     1
 ASSI { 2843}
   (( segid W   and resid 537   and name HG1 ))
   (( segid W   and resid 536   and name HB2 ))
      5.600     5.600     0.400 peak  2843 weight  0.10000E+01 volume  0.25477E-03 ppm1      2.139 ppm2      4.011 CV     1
 ASSI { 2847}
   (( segid W   and resid 557   and name HZ3 ))
   (( segid W   and resid 544   and name HA ))
      4.500     4.400     1.500 peak  2847 weight  0.10000E+01 volume  0.50185E-03 ppm1      6.902 ppm2      4.470 CV     1
 ASSI { 2859}
   (( segid W   and resid 535   and name HA ))
   (( segid W   and resid 550   and name HB2 ))
      5.600     5.600     0.400 peak  2859 weight  0.10000E+01 volume  0.29210E-03 ppm1      6.241 ppm2      3.079 CV     1
 ASSI { 2861}
   ( segid P   and resid 232   and name HE% )
   (( segid W   and resid 550   and name HE1 ))
      4.800     4.800     1.200 peak  2861 weight  0.10000E+01 volume  0.25248E-03 ppm1      6.412 ppm2      7.553 CV     1
 ASSI { 2862}
   (( segid W   and resid 534   and name HD1 ))
   (( segid W   and resid 550   and name HE1 ))
      4.900     4.900     1.100 peak  2862 weight  0.10000E+01 volume  0.21055E-03 ppm1      3.164 ppm2      7.550 CV     1
 ASSI { 2864}
   (( segid W   and resid 548   and name HG12)) 
   (( segid W   and resid 550   and name HD2 ))
      5.100     5.100     0.900 peak  2864 weight  0.10000E+01 volume  0.25776E-03 ppm1      0.643 ppm2      6.803 CV     1
 ASSI { 2866}
   (( segid W   and resid 552   and name HA ))
   ( segid W   and resid 551   and name HB% )
      3.800     3.300     2.200 peak  2866 weight  0.10000E+01 volume  0.11858E-02 ppm1      4.266 ppm2      1.402 CV     1
 ASSI { 2869}
   ( segid P   and resid 229   and name HD2%) 
   (( segid W   and resid 556   and name HA ))
      3.400     2.600     2.600 peak  2869 weight  0.10000E+01 volume  0.67689E-03 ppm1     -0.907 ppm2      4.664 CV     1
 ASSI { 2870}
   (( segid W   and resid 546   and name HA ))
   (( segid W   and resid 556   and name HA ))
      4.600     4.600     1.400 peak  2870 weight  0.10000E+01 volume  0.63039E-03 ppm1      5.188 ppm2      4.668 CV     1
 ASSI { 2878}
   (( segid P   and resid 230   and name HG2 ))
   (( segid W   and resid 540   and name HA ))
      3.700     3.200     2.300 peak  2878 weight  0.10000E+01 volume  0.17013E-02 ppm1      1.518 ppm2      4.754 CV     1
 ASSI {    9}
   (( segid P   and resid 229   and name HB1 ))
   (( segid W   and resid 557   and name HZ2 ))
      3.800     3.300     2.200 peak     9 weight  0.10000E+01 volume  0.11608E-02 ppm1      1.402 ppm2      7.153 CV     1
 ASSI {   11}
   (( segid P   and resid 228   and name HA2 ))
   (( segid W   and resid 557   and name HZ2 ))
      3.300     2.500     2.500 peak    11 weight  0.10000E+01 volume  0.99575E-03 ppm1      4.139 ppm2      7.151 CV     1
 ASSI {   14}
   ( segid P   and resid 232   and name HE% )
   (( segid W   and resid 550   and name HB1 ))
      4.300     4.200     1.700 peak    14 weight  0.10000E+01 volume  0.53604E-03 ppm1      6.409 ppm2      3.077 CV     1
 ASSI {   16}
   ( segid P   and resid 235   and name HB% )
   (( segid W   and resid 548   and name HG12)) 
      4.000     3.500     2.000 peak    16 weight  0.10000E+01 volume  0.13269E-02 ppm1      1.283 ppm2      1.116 CV     1
 ASSI {   19}
   (( segid P   and resid 231   and name HA ))
   (( segid W   and resid 548   and name HG11)) 
      5.100     5.100     0.900 peak    19 weight  0.10000E+01 volume  0.38080E-03 ppm1      4.238 ppm2      0.631 CV     1
 OR {   19}
   (( segid P   and resid 231   and name HB2 ))
   (( segid W   and resid 548   and name HG11)) 
 ASSI {   20}
   ( segid P   and resid 235   and name HB% )
   (( segid W   and resid 548   and name HG11)) 
      3.300     2.500     2.500 peak    20 weight  0.10000E+01 volume  0.12254E-02 ppm1      1.278 ppm2      0.609 CV     1
 ASSI {   28}
   ( segid P   and resid 235   and name HB% )
   ( segid W   and resid 555   and name HG2%) 
      2.800     1.800     1.800 peak    28 weight  0.10000E+01 volume  0.47880E-02 ppm1      1.282 ppm2      1.012 CV     1
 ASSI {   29}
   (( segid P   and resid 229   and name HG ))
   ( segid W   and resid 555   and name HG2%) 
      4.300     4.000     1.700 peak    29 weight  0.10000E+01 volume  0.69282E-03 ppm1      0.722 ppm2      1.014 CV     1
 ASSI {   30}
   (( segid P   and resid 232   and name HB2 ))
   ( segid W   and resid 555   and name HG2%) 
      4.100     3.900     1.900 peak    30 weight  0.10000E+01 volume  0.12479E-02 ppm1      2.775 ppm2      1.014 CV     1
 ASSI {   31}
   (( segid P   and resid 232   and name HB1 ))
   ( segid W   and resid 555   and name HG2%) 
      3.200     2.300     2.300 peak    31 weight  0.10000E+01 volume  0.10269E-02 ppm1      2.533 ppm2      1.011 CV     1
 ASSI {   32}
   (( segid P   and resid 231   and name HB1 ))
   ( segid W   and resid 555   and name HG2%) 
      4.500     4.500     1.500 peak    32 weight  0.10000E+01 volume  0.72955E-03 ppm1      3.886 ppm2      1.012 CV     1
 ASSI {   33}
   (( segid P   and resid 231   and name HA ))
   ( segid W   and resid 555   and name HG2%) 
      3.000     2.100     2.100 peak    33 weight  0.10000E+01 volume  0.18541E-02 ppm1      4.209 ppm2      1.011 CV     1
 OR {   33}
   (( segid P   and resid 231   and name HB2 ))
   ( segid W   and resid 555   and name HG2%) 
 ASSI {   35}
   ( segid P   and resid 232   and name HD% )
   ( segid W   and resid 555   and name HG2%) 
      3.400     2.600     2.600 peak    35 weight  0.10000E+01 volume  0.19480E-02 ppm1      6.672 ppm2      1.010 CV     1
 ASSI {   43}
   ( segid P   and resid 236   and name HD2%) 
   ( segid W   and resid 548   and name HG2%) 
      3.100     2.200     2.200 peak    43 weight  0.10000E+01 volume  0.26433E-02 ppm1      0.651 ppm2      0.170 CV     1
 OR {   43}
   ( segid P   and resid 236   and name HD1%) 
   ( segid W   and resid 548   and name HG2%) 
 ASSI {   44}
   (( segid P   and resid 232   and name HB1 ))
   ( segid W   and resid 548   and name HG2%) 
      4.200     4.000     1.800 peak    44 weight  0.10000E+01 volume  0.33942E-03 ppm1      2.501 ppm2      0.176 CV     1
 ASSI {   49}
   ( segid P   and resid 232   and name HD% )
   ( segid W   and resid 548   and name HG2%) 
      2.400     1.400     1.400 peak    49 weight  0.10000E+01 volume  0.39006E-02 ppm1      6.665 ppm2      0.171 CV     1
 ASSI {   50}
   ( segid P   and resid 232   and name HE% )
   ( segid W   and resid 548   and name HG2%) 
      2.400     1.400     1.400 peak    50 weight  0.10000E+01 volume  0.56476E-02 ppm1      6.417 ppm2      0.171 CV     1
 ASSI {   59}
   (( segid P   and resid 230   and name HB2 ))
   ( segid W   and resid 540   and name HB% )
      4.700     4.700     1.300 peak    59 weight  0.10000E+01 volume  0.10201E-02 ppm1      2.021 ppm2      1.892 CV     1
 ASSI {   60}
   (( segid P   and resid 228   and name HA1 ))
   ( segid W   and resid 540   and name HB% )
      3.300     2.600     2.600 peak    60 weight  0.10000E+01 volume  0.44666E-02 ppm1      3.852 ppm2      1.889 CV     1
 ASSI {   62}
   (( segid P   and resid 230   and name HA ))
   ( segid W   and resid 540   and name HB% )
      4.200     3.900     1.800 peak    62 weight  0.10000E+01 volume  0.11667E-02 ppm1      4.169 ppm2      1.886 CV     1
 ASSI {   65}
   ( segid P   and resid 235   and name HB% )
   ( segid W   and resid 548   and name HD1%) 
      2.300     2.300     3.700 peak    65 weight  0.10000E+01 volume  0.94030E-02 ppm1      1.283 ppm2      0.377 CV     1
 ASSI {   66}
   ( segid P   and resid 236   and name HD2%) 
   ( segid W   and resid 548   and name HD1%) 
      2.900     2.900     3.100 peak    66 weight  0.10000E+01 volume  0.25649E-02 ppm1      0.662 ppm2      0.377 CV     1
 OR {   66}
   ( segid P   and resid 236   and name HD1%) 
   ( segid W   and resid 548   and name HD1%) 
 ASSI {   77}
   (( segid P   and resid 229   and name HB1 ))
   (( segid W   and resid 556   and name HA ))
      5.500     5.500     0.500 peak    77 weight  0.10000E+01 volume  0.57610E-03 ppm1      1.421 ppm2      4.669 CV     1
 ASSI {   78}
   ( segid P   and resid 229   and name HD1%) 
   (( segid W   and resid 556   and name HA ))
      2.500     1.500     1.500 peak    78 weight  0.10000E+01 volume  0.26944E-02 ppm1      0.217 ppm2      4.673 CV     1
 ASSI {   79}
   (( segid P   and resid 229   and name HG ))
   (( segid W   and resid 556   and name HA ))
      4.600     4.600     1.400 peak    79 weight  0.10000E+01 volume  0.53254E-03 ppm1      0.639 ppm2      4.671 CV     1
 ASSI {   84}
   ( segid P   and resid 232   and name HD% )
   (( segid W   and resid 550   and name HA ))
      3.900     3.400     2.100 peak    84 weight  0.10000E+01 volume  0.10960E-02 ppm1      6.652 ppm2      4.191 CV     1
 ASSI {   85}
   ( segid P   and resid 232   and name HE% )
   (( segid W   and resid 550   and name HA ))
      2.500     1.500     1.500 peak    85 weight  0.10000E+01 volume  0.46918E-02 ppm1      6.414 ppm2      4.188 CV     1
 ASSI {   87}
   (( segid P   and resid 235   and name HA ))
   (( segid W   and resid 538   and name HG2 ))
      4.500     4.400     1.500 peak    87 weight  0.10000E+01 volume  0.50652E-03 ppm1      4.168 ppm2      2.070 CV     1
 OR {   87}
   (( segid P   and resid 235   and name HA ))
   (( segid W   and resid 538   and name HG1 ))
 ASSI {   88}
   ( segid P   and resid 232   and name HD% )
   (( segid W   and resid 553   and name HD2 ))
      4.200     4.000     1.800 peak    88 weight  0.10000E+01 volume  0.47781E-03 ppm1      6.649 ppm2      2.910 CV     1
 ASSI {   89}
   ( segid P   and resid 232   and name HE% )
   (( segid W   and resid 553   and name HD2 ))
      3.700     3.100     2.300 peak    89 weight  0.10000E+01 volume  0.61894E-03 ppm1      6.408 ppm2      2.899 CV     1
 ASSI {   96}
   (( segid P   and resid 232   and name HN ))
   (( segid W   and resid 555   and name HA ))
      5.000     5.000     1.000 peak    96 weight  0.10000E+01 volume  0.39797E-03 ppm1      9.049 ppm2      5.523 CV     1
 ASSI {  102}
   (( segid P   and resid 236   and name HG ))
   ( segid W   and resid 548   and name HG2%) 
      3.900     3.400     2.100 peak   102 weight  0.10000E+01 volume  0.96047E-03 ppm1      1.449 ppm2      0.172 CV     1
 OR {  102}
   (( segid P   and resid 236   and name HB1 ))
   ( segid W   and resid 548   and name HG2%) 
 ASSI {  110}
   (( segid P   and resid 230   and name HA ))
   (( segid W   and resid 541   and name HD2 ))
      4.600     4.600     1.400 peak   110 weight  0.10000E+01 volume  0.49771E-03 ppm1      4.183 ppm2      3.896 CV     1
 ASSI {  129}
   (( segid P   and resid 232   and name HB2 ))
   (( segid W   and resid 553   and name HD2 ))
      4.500     4.500     1.500 peak   129 weight  0.10000E+01 volume  0.37144E-03 ppm1      2.761 ppm2      2.904 CV     1
 ASSI {  141}
   (( segid P   and resid 232   and name HB1 ))
   (( segid W   and resid 554   and name HA ))
      2.900     1.900     1.900 peak   141 weight  0.10000E+01 volume  0.86358E-03 ppm1      2.525 ppm2      4.941 CV     1
 ASSI {  149}
   ( segid P   and resid 232   and name HE% )
   (( segid W   and resid 548   and name HB ))
      5.000     5.000     1.000 peak   149 weight  0.10000E+01 volume  0.34782E-03 ppm1      6.429 ppm2      1.486 CV     1
 ASSI {  152}
   (( segid P   and resid 230   and name HB1 ))
   (( segid W   and resid 540   and name HA ))
      4.700     4.700     1.300 peak   152 weight  0.10000E+01 volume  0.65207E-03 ppm1      1.190 ppm2      4.733 CV     1
 ASSI {  158}
   (( segid P   and resid 230   and name HB2 ))
   (( segid W   and resid 546   and name HZ ))
      5.200     5.200     0.800 peak   158 weight  0.10000E+01 volume  0.32257E-03 ppm1      2.033 ppm2      6.991 CV     1
 ASSI {  160}
   ( segid P   and resid 232   and name HD% )
   (( segid W   and resid 548   and name HB ))
      5.400     5.400     0.600 peak   160 weight  0.10000E+01 volume  0.34723E-03 ppm1      6.607 ppm2      1.442 CV     1
 ASSI {  175}
   ( segid P   and resid 232   and name HE% )
   (( segid W   and resid 553   and name HA ))
      4.100     3.800     1.900 peak   175 weight  0.10000E+01 volume  0.30912E-03 ppm1      6.419 ppm2      2.306 CV     1
 ASSI {  177}
   ( segid P   and resid 232   and name HD% )
   (( segid W   and resid 554   and name HB1 ))
      3.200     2.400     2.400 peak   177 weight  0.10000E+01 volume  0.33374E-03 ppm1      6.670 ppm2      1.641 CV     1
 ASSI {  181}
   ( segid P   and resid 229   and name HD1%) 
   (( segid W   and resid 555   and name HA ))
      4.900     4.900     1.100 peak   181 weight  0.10000E+01 volume  0.36849E-03 ppm1      0.197 ppm2      5.519 CV     1
 ASSI {    1}
   (( segid P   and resid 231   and name HA ))
   (( segid P   and resid 232   and name HN ))
      2.600     1.600     1.600 peak     1 weight  0.10000E+01 volume  0.63667E-02 ppm1      4.192 ppm2      9.039 CV     1
 OR {    1}
   (( segid P   and resid 231   and name HB1 ))
   (( segid P   and resid 232   and name HN ))
 ASSI {    1}
   (( segid P   and resid 231   and name HB2 ))
   (( segid P   and resid 232   and name HN ))
      3.600     2.900     2.400 peak     1 weight  0.10000E+01 volume  0.21162E-02 ppm1      3.898 ppm2      9.044 CV     1
 ASSI {    2}
   (( segid P   and resid 232   and name HB2 ))
   (( segid P   and resid 232   and name HN ))
      3.000     2.100     2.100 peak     2 weight  0.10000E+01 volume  0.17952E-02 ppm1      2.492 ppm2      9.042 CV     1
 ASSI {    5}
   (( segid P   and resid 231   and name HB2 ))
   (( segid P   and resid 231   and name HN ))
      2.600     1.600     1.600 peak     5 weight  0.10000E+01 volume  0.82690E-02 ppm1      3.894 ppm2      8.579 CV     1
 ASSI {    6}
   (( segid P   and resid 234   and name HG2 ))
   (( segid P   and resid 231   and name HN ))
      3.100     2.200     2.200 peak     6 weight  0.10000E+01 volume  0.41265E-02 ppm1      2.200 ppm2      8.579 CV     1
 ASSI {    7}
   (( segid P   and resid 234   and name HB2 ))
   (( segid P   and resid 231   and name HN ))
      3.700     3.100     2.300 peak     7 weight  0.10000E+01 volume  0.39008E-02 ppm1      2.068 ppm2      8.581 CV     1
 ASSI {    8}
   (( segid P   and resid 230   and name HB2 ))
   (( segid P   and resid 231   and name HN ))
      2.900     2.000     2.000 peak     8 weight  0.10000E+01 volume  0.51033E-02 ppm1      2.005 ppm2      8.579 CV     1
 ASSI {    9}
   (( segid P   and resid 234   and name HG1 ))
   (( segid P   and resid 231   and name HN ))
      3.500     2.700     2.500 peak     9 weight  0.10000E+01 volume  0.31932E-02 ppm1      1.873 ppm2      8.579 CV     1
 ASSI {   10}
   (( segid P   and resid 230   and name HG1 ))
   (( segid P   and resid 231   and name HN ))
      4.800     4.800     1.200 peak    10 weight  0.10000E+01 volume  0.11668E-02 ppm1      1.501 ppm2      8.580 CV     1
 ASSI {   12}
   (( segid P   and resid 230   and name HB1 ))
   (( segid P   and resid 231   and name HN ))
      3.600     3.000     2.400 peak    12 weight  0.10000E+01 volume  0.16357E-02 ppm1      1.153 ppm2      8.580 CV     1
 ASSI {   13}
   (( segid P   and resid 233   and name HA ))
   (( segid P   and resid 233   and name HN ))
      2.500     1.500     1.500 peak    13 weight  0.10000E+01 volume  0.12692E-01 ppm1      4.220 ppm2      8.136 CV     1
 ASSI {   15}
   (( segid P   and resid 232   and name HA ))
   (( segid P   and resid 233   and name HN ))
      3.400     2.600     2.600 peak    15 weight  0.10000E+01 volume  0.12557E-02 ppm1      3.455 ppm2      8.134 CV     1
 ASSI {   16}
   (( segid P   and resid 232   and name HB1 ))
   (( segid P   and resid 233   and name HN ))
      2.800     1.900     1.900 peak    16 weight  0.10000E+01 volume  0.48464E-02 ppm1      2.753 ppm2      8.135 CV     1
 ASSI {   18}
   (( segid P   and resid 233   and name HB1 ))
   (( segid P   and resid 233   and name HN ))
      2.400     1.300     1.300 peak    18 weight  0.10000E+01 volume  0.12374E-01 ppm1      2.427 ppm2      8.136 CV     1
 ASSI {   19}
   (( segid P   and resid 234   and name HG2 ))
   (( segid P   and resid 233   and name HN ))
      4.500     4.500     1.500 peak    19 weight  0.10000E+01 volume  0.19579E-02 ppm1      2.199 ppm2      8.135 CV     1
 ASSI {   21}
   (( segid P   and resid 235   and name HA ))
   (( segid P   and resid 235   and name HN ))
      2.500     1.500     1.500 peak    21 weight  0.10000E+01 volume  0.12765E-01 ppm1      4.155 ppm2      8.043 CV     1
 ASSI {   22}
   (( segid P   and resid 234   and name HA ))
   (( segid P   and resid 235   and name HN ))
      2.900     1.900     1.900 peak    22 weight  0.10000E+01 volume  0.49971E-02 ppm1      3.877 ppm2      8.044 CV     1
 ASSI {   23}
   (( segid P   and resid 234   and name HG2 ))
   (( segid P   and resid 235   and name HN ))
      3.900     3.500     2.100 peak    23 weight  0.10000E+01 volume  0.30106E-02 ppm1      2.197 ppm2      8.044 CV     1
 ASSI {   24}
   (( segid P   and resid 234   and name HB2 ))
   (( segid P   and resid 235   and name HN ))
      3.600     2.900     2.400 peak    24 weight  0.10000E+01 volume  0.30881E-02 ppm1      2.062 ppm2      8.045 CV     1
 ASSI {   25}
   (( segid P   and resid 234   and name HG1 ))
   (( segid P   and resid 235   and name HN ))
      4.000     3.500     2.000 peak    25 weight  0.10000E+01 volume  0.23666E-02 ppm1      1.883 ppm2      8.045 CV     1
 ASSI {   26}
   (( segid P   and resid 236   and name HB1 ))
   (( segid P   and resid 235   and name HN ))
      4.400     4.300     1.600 peak    26 weight  0.10000E+01 volume  0.25101E-02 ppm1      1.407 ppm2      8.046 CV     1
 ASSI {   28}
   ( segid P   and resid 235   and name HB% )
   (( segid P   and resid 235   and name HN ))
      2.100     2.100     3.900 peak    28 weight  0.10000E+01 volume  0.22693E-01 ppm1      1.264 ppm2      8.044 CV     1
 ASSI {   31}
   (( segid P   and resid 229   and name HA ))
   (( segid P   and resid 229   and name HN ))
      3.000     2.200     2.200 peak    31 weight  0.10000E+01 volume  0.17022E-02 ppm1      3.723 ppm2      7.781 CV     1
 ASSI {   33}
   (( segid P   and resid 229   and name HB2 ))
   (( segid P   and resid 229   and name HN ))
      2.900     1.900     1.900 peak    33 weight  0.10000E+01 volume  0.37030E-02 ppm1      1.375 ppm2      7.784 CV     1
 ASSI {   34}
   (( segid P   and resid 230   and name HD1 ))
   (( segid P   and resid 229   and name HN ))
      3.500     2.800     2.500 peak    34 weight  0.10000E+01 volume  0.11279E-02 ppm1      1.279 ppm2      7.780 CV     1
 ASSI {   35}
   ( segid P   and resid 236   and name HD2%) 
   (( segid P   and resid 235   and name HN ))
      4.400     4.400     1.600 peak    35 weight  0.10000E+01 volume  0.14269E-02 ppm1      0.606 ppm2      8.039 CV     1
 ASSI {   36}
   (( segid P   and resid 229   and name HB1 ))
   (( segid P   and resid 229   and name HN ))
      3.200     2.400     2.400 peak    36 weight  0.10000E+01 volume  0.19420E-02 ppm1      0.737 ppm2      7.781 CV     1
 ASSI {   37}
   (( segid P   and resid 234   and name HA ))
   (( segid P   and resid 234   and name HN ))
      2.900     1.900     1.900 peak    37 weight  0.10000E+01 volume  0.43845E-02 ppm1      3.876 ppm2      7.570 CV     1
 ASSI {   38}
   (( segid P   and resid 237   and name HA ))
   (( segid P   and resid 237   and name HN ))
      2.600     1.600     1.600 peak    38 weight  0.10000E+01 volume  0.10559E-01 ppm1      4.347 ppm2      7.560 CV     1
 ASSI {   40}
   (( segid P   and resid 237   and name HB1 ))
   (( segid P   and resid 237   and name HN ))
      3.300     2.500     2.500 peak    40 weight  0.10000E+01 volume  0.46089E-02 ppm1      3.194 ppm2      7.559 CV     1
 ASSI {   41}
   (( segid P   and resid 237   and name HB2 ))
   (( segid P   and resid 237   and name HN ))
      2.800     1.800     1.800 peak    41 weight  0.10000E+01 volume  0.65207E-02 ppm1      3.029 ppm2      7.558 CV     1
 ASSI {   43}
   (( segid P   and resid 234   and name HG2 ))
   (( segid P   and resid 234   and name HN ))
      3.100     2.200     2.200 peak    43 weight  0.10000E+01 volume  0.39921E-02 ppm1      2.204 ppm2      7.578 CV     1
 ASSI {   44}
   (( segid P   and resid 233   and name HB1 ))
   (( segid P   and resid 234   and name HN ))
      3.500     2.800     2.500 peak    44 weight  0.10000E+01 volume  0.14186E-02 ppm1      2.423 ppm2      7.569 CV     1
 ASSI {   47}
   (( segid P   and resid 234   and name HG1 ))
   (( segid P   and resid 234   and name HN ))
      3.200     2.400     2.400 peak    47 weight  0.10000E+01 volume  0.19774E-02 ppm1      1.887 ppm2      7.566 CV     1
 ASSI {   49}
   (( segid P   and resid 236   and name HB1 ))
   (( segid P   and resid 237   and name HN ))
      3.000     2.200     2.200 peak    49 weight  0.10000E+01 volume  0.50366E-02 ppm1      1.407 ppm2      7.561 CV     1
 ASSI {   51}
   ( segid P   and resid 236   and name HD2%) 
   (( segid P   and resid 237   and name HN ))
      4.100     3.800     1.900 peak    51 weight  0.10000E+01 volume  0.20111E-02 ppm1      0.611 ppm2      7.557 CV     1
 ASSI {   53}
   (( segid P   and resid 236   and name HB1 ))
   (( segid P   and resid 236   and name HN ))
      3.300     2.500     2.500 peak    53 weight  0.10000E+01 volume  0.63417E-02 ppm1      1.406 ppm2      7.257 CV     1
 ASSI {   58}
   (( segid P   and resid 237   and name HA ))
   (( segid P   and resid 237   and name HD2 ))
      3.200     2.300     2.300 peak    58 weight  0.10000E+01 volume  0.37645E-02 ppm1      4.346 ppm2      7.109 CV     1
 ASSI {   60}
   (( segid P   and resid 234   and name HA ))
   (( segid P   and resid 237   and name HD2 ))
      3.600     2.900     2.400 peak    60 weight  0.10000E+01 volume  0.16426E-02 ppm1      3.875 ppm2      7.112 CV     1
 ASSI {   61}
   (( segid P   and resid 237   and name HB1 ))
   (( segid P   and resid 237   and name HD2 ))
      3.400     2.600     2.600 peak    61 weight  0.10000E+01 volume  0.28663E-02 ppm1      3.191 ppm2      7.109 CV     1
 ASSI {   62}
   (( segid P   and resid 237   and name HB2 ))
   (( segid P   and resid 237   and name HD2 ))
      3.200     2.400     2.400 peak    62 weight  0.10000E+01 volume  0.36794E-02 ppm1      3.032 ppm2      7.110 CV     1
 ASSI {   63}
   (( segid P   and resid 236   and name HB1 ))
   (( segid P   and resid 237   and name HD2 ))
      3.600     3.000     2.400 peak    63 weight  0.10000E+01 volume  0.16858E-02 ppm1      1.406 ppm2      7.111 CV     1
 ASSI {   67}
   (( segid P   and resid 233   and name HB2 ))
   ( segid P   and resid 232   and name HD% )
      4.500     4.500     1.500 peak    67 weight  0.10000E+01 volume  0.12475E-02 ppm1      2.579 ppm2      6.651 CV     1
 ASSI {   68}
   (( segid P   and resid 232   and name HB1 ))
   ( segid P   and resid 232   and name HD% )
      2.700     1.700     1.700 peak    68 weight  0.10000E+01 volume  0.59506E-02 ppm1      2.748 ppm2      6.648 CV     1
 ASSI {   69}
   (( segid P   and resid 232   and name HB2 ))
   ( segid P   and resid 232   and name HD% )
      2.300     1.300     1.300 peak    69 weight  0.10000E+01 volume  0.70031E-02 ppm1      2.503 ppm2      6.649 CV     1
 ASSI {   70}
   (( segid P   and resid 232   and name HA ))
   ( segid P   and resid 232   and name HD% )
      3.400     2.600     2.600 peak    70 weight  0.10000E+01 volume  0.17527E-02 ppm1      3.456 ppm2      6.642 CV     1
 ASSI {   71}
   ( segid P   and resid 236   and name HD2%) 
   ( segid P   and resid 232   and name HD% )
      3.900     3.400     2.100 peak    71 weight  0.10000E+01 volume  0.14157E-02 ppm1      0.613 ppm2      6.654 CV     1
 ASSI {   73}
   ( segid P   and resid 236   and name HD1%) 
   ( segid P   and resid 232   and name HD% )
      3.500     2.800     2.500 peak    73 weight  0.10000E+01 volume  0.20572E-02 ppm1      0.687 ppm2      6.652 CV     1
 ASSI {   74}
   (( segid P   and resid 232   and name HB1 ))
   ( segid P   and resid 232   and name HE% )
      4.800     4.800     1.200 peak    74 weight  0.10000E+01 volume  0.11674E-02 ppm1      2.734 ppm2      6.382 CV     1
 ASSI {   75}
   (( segid P   and resid 236   and name HB1 ))
   ( segid P   and resid 232   and name HE% )
      4.400     4.400     1.600 peak    75 weight  0.10000E+01 volume  0.11100E-02 ppm1      1.412 ppm2      6.386 CV     1
 ASSI {   77}
   ( segid P   and resid 236   and name HD2%) 
   ( segid P   and resid 232   and name HE% )
      3.000     2.100     2.100 peak    77 weight  0.10000E+01 volume  0.37814E-02 ppm1      0.614 ppm2      6.386 CV     1
 ASSI {   79}
   (( segid P   and resid 232   and name HB2 ))
   ( segid P   and resid 232   and name HE% )
      4.400     4.300     1.600 peak    79 weight  0.10000E+01 volume  0.19237E-02 ppm1      2.502 ppm2      6.379 CV     1
 ASSI {   81}
   ( segid P   and resid 232   and name HD% )
   (( segid P   and resid 232   and name HN ))
      4.300     4.200     1.700 peak    81 weight  0.10000E+01 volume  0.17504E-02 ppm1      6.648 ppm2      9.036 CV     1
 ASSI {   82}
   (( segid P   and resid 233   and name HN ))
   (( segid P   and resid 232   and name HN ))
      3.200     2.400     2.400 peak    82 weight  0.10000E+01 volume  0.23161E-02 ppm1      8.131 ppm2      9.029 CV     1
 ASSI {   85}
   (( segid P   and resid 232   and name HN ))
   (( segid P   and resid 231   and name HN ))
      4.200     4.000     1.800 peak    85 weight  0.10000E+01 volume  0.95971E-03 ppm1      9.044 ppm2      8.582 CV     1
 ASSI {   86}
   (( segid P   and resid 233   and name HN ))
   (( segid P   and resid 231   and name HN ))
      3.900     3.500     2.100 peak    86 weight  0.10000E+01 volume  0.12323E-02 ppm1      8.127 ppm2      8.572 CV     1
 ASSI {   87}
   (( segid P   and resid 235   and name HN ))
   (( segid P   and resid 231   and name HN ))
      3.700     3.100     2.300 peak    87 weight  0.10000E+01 volume  0.19070E-02 ppm1      8.048 ppm2      8.574 CV     1
 ASSI {   95}
   (( segid P   and resid 235   and name HN ))
   (( segid P   and resid 233   and name HN ))
      3.200     2.300     2.300 peak    95 weight  0.10000E+01 volume  0.31452E-02 ppm1      8.051 ppm2      8.135 CV     1
 ASSI {   96}
   (( segid P   and resid 234   and name HN ))
   (( segid P   and resid 233   and name HN ))
      2.800     1.800     1.800 peak    96 weight  0.10000E+01 volume  0.33567E-02 ppm1      7.582 ppm2      8.136 CV     1
 ASSI {   97}
   ( segid P   and resid 232   and name HD% )
   (( segid P   and resid 233   and name HN ))
      2.800     1.900     1.900 peak    97 weight  0.10000E+01 volume  0.52206E-02 ppm1      6.646 ppm2      8.138 CV     1
 ASSI {  100}
   (( segid P   and resid 234   and name HN ))
   (( segid P   and resid 235   and name HN ))
      2.600     1.600     1.600 peak   100 weight  0.10000E+01 volume  0.56398E-02 ppm1      7.573 ppm2      8.043 CV     1
 ASSI {  101}
   (( segid P   and resid 236   and name HN ))
   (( segid P   and resid 235   and name HN ))
      2.900     2.000     2.000 peak   101 weight  0.10000E+01 volume  0.32621E-02 ppm1      7.253 ppm2      8.045 CV     1
 ASSI {  102}
   (( segid P   and resid 231   and name HN ))
   (( segid P   and resid 234   and name HN ))
      3.600     2.900     2.400 peak   102 weight  0.10000E+01 volume  0.12013E-02 ppm1      8.583 ppm2      7.580 CV     1
 ASSI {  110}
   (( segid P   and resid 237   and name HN ))
   (( segid P   and resid 237   and name HD2 ))
      3.300     2.500     2.500 peak   110 weight  0.10000E+01 volume  0.26400E-02 ppm1      7.558 ppm2      7.110 CV     1
 ASSI {  113}
   ( segid P   and resid 232   and name HE% )
   ( segid P   and resid 232   and name HD% )
      2.000     1.000     1.000 peak   113 weight  0.10000E+01 volume  0.25591E-01 ppm1      6.383 ppm2      6.652 CV     1
 ASSI {  115}
   (( segid P   and resid 233   and name HN ))
   ( segid P   and resid 232   and name HE% )
      4.500     4.400     1.500 peak   115 weight  0.10000E+01 volume  0.12743E-02 ppm1      8.125 ppm2      6.370 CV     1
 ASSI {  119}
   (( segid P   and resid 237   and name HN ))
   (( segid P   and resid 236   and name HA ))
      3.000     2.000     2.000 peak   119 weight  0.10000E+01 volume  0.39923E-02 ppm1      7.556 ppm2      4.115 CV     1
 ASSI {  135}
   (( segid P   and resid 232   and name HN ))
   (( segid P   and resid 232   and name HB1 ))
      3.300     2.600     2.600 peak   135 weight  0.10000E+01 volume  0.19588E-02 ppm1      9.036 ppm2      2.757 CV     1
 ASSI {  139}
   (( segid P   and resid 233   and name HN ))
   (( segid P   and resid 233   and name HB2 ))
      3.100     2.200     2.200 peak   139 weight  0.10000E+01 volume  0.95512E-02 ppm1      8.135 ppm2      2.577 CV     1
 ASSI {  141}
   (( segid P   and resid 234   and name HN ))
   (( segid P   and resid 233   and name HB2 ))
      3.400     2.600     2.600 peak   141 weight  0.10000E+01 volume  0.18235E-02 ppm1      7.573 ppm2      2.576 CV     1
 ASSI {  148}
   (( segid P   and resid 235   and name HN ))
   (( segid P   and resid 233   and name HB1 ))
      4.800     4.800     1.200 peak   148 weight  0.10000E+01 volume  0.90735E-03 ppm1      8.047 ppm2      2.431 CV     1
 ASSI {  158}
   (( segid P   and resid 233   and name HN ))
   (( segid P   and resid 234   and name HB2 ))
      5.400     5.400     0.600 peak   158 weight  0.10000E+01 volume  0.10259E-02 ppm1      8.145 ppm2      2.080 CV     1
 ASSI {  163}
   (( segid P   and resid 234   and name HN ))
   (( segid P   and resid 234   and name HB2 ))
      3.800     3.200     2.200 peak   163 weight  0.10000E+01 volume  0.23788E-02 ppm1      7.572 ppm2      2.062 CV     1
 ASSI {  176}
   (( segid P   and resid 237   and name HN ))
   ( segid P   and resid 235   and name HB% )
      6.000     6.000     0.000 peak   176 weight  0.10000E+01 volume -0.82510E-03 ppm1      7.511 ppm2      1.299 CV     1
 ASSI {  177}
   (( segid P   and resid 236   and name HN ))
   ( segid P   and resid 235   and name HB% )
      2.900     2.000     2.000 peak   177 weight  0.10000E+01 volume  0.42535E-02 ppm1      7.253 ppm2      1.264 CV     1
 ASSI {  178}
   (( segid P   and resid 233   and name HN ))
   ( segid P   and resid 235   and name HB% )
      3.600     3.000     2.400 peak   178 weight  0.10000E+01 volume  0.19044E-02 ppm1      8.129 ppm2      1.263 CV     1
 ASSI {  180}
   (( segid P   and resid 229   and name HN ))
   (( segid P   and resid 229   and name HB1 ))
      3.200     2.400     2.400 peak   180 weight  0.10000E+01 volume  0.23632E-02 ppm1      7.786 ppm2      0.693 CV     1
 OR {  180}
   (( segid P   and resid 229   and name HN ))
   (( segid P   and resid 229   and name HG ))
 ASSI {  182}
   (( segid P   and resid 237   and name HN ))
   ( segid P   and resid 236   and name HD1%) 
      4.200     4.000     1.800 peak   182 weight  0.10000E+01 volume  0.15372E-02 ppm1      7.570 ppm2      0.677 CV     1
 ASSI {  185}
   (( segid P   and resid 236   and name HN ))
   ( segid P   and resid 236   and name HD1%) 
      4.200     4.000     1.800 peak   185 weight  0.10000E+01 volume  0.15380E-02 ppm1      7.235 ppm2      0.684 CV     1
 ASSI {  186}
   (( segid P   and resid 236   and name HN ))
   ( segid P   and resid 236   and name HD2%) 
      4.200     4.000     1.800 peak   186 weight  0.10000E+01 volume  0.16376E-02 ppm1      7.274 ppm2      0.617 CV     1
 ASSI {  189}
   ( segid P   and resid 232   and name HE% )
   ( segid P   and resid 236   and name HD1%) 
      2.900     2.000     2.000 peak   189 weight  0.10000E+01 volume  0.50011E-02 ppm1      6.382 ppm2      0.684 CV     1
 ASSI {  192}
   (( segid P   and resid 229   and name HN ))
   ( segid P   and resid 229   and name HD1%) 
      4.700     4.700     1.300 peak   192 weight  0.10000E+01 volume  0.10859E-02 ppm1      7.780 ppm2      0.209 CV     1
 ASSI {  198}
   (( segid P   and resid 229   and name HB2 ))
   ( segid P   and resid 229   and name HD2%) 
      3.200     2.400     2.400 peak   198 weight  0.10000E+01 volume  0.11765E-02 ppm1      1.363 ppm2     -0.903 CV     1
 ASSI {  199}
   ( segid P   and resid 229   and name HD1%) 
   ( segid P   and resid 229   and name HD2%) 
      3.400     2.600     2.600 peak   199 weight  0.10000E+01 volume  0.14191E-02 ppm1      0.229 ppm2     -0.901 CV     1
 ASSI {  201}
   (( segid P   and resid 230   and name HD1 ))
   ( segid P   and resid 229   and name HD1%) 
      4.200     4.000     1.800 peak   201 weight  0.10000E+01 volume  0.15632E-02 ppm1      1.270 ppm2      0.233 CV     1
 ASSI {  203}
   (( segid P   and resid 229   and name HG ))
   ( segid P   and resid 229   and name HD1%) 
      2.700     1.700     1.700 peak   203 weight  0.10000E+01 volume  0.28115E-02 ppm1      0.704 ppm2      0.216 CV     1
 OR {  203}
   (( segid P   and resid 229   and name HB1 ))
   ( segid P   and resid 229   and name HD1%) 
 ASSI {  204}
   ( segid P   and resid 229   and name HD1%) 
   (( segid P   and resid 229   and name HB1 ))
      2.800     1.800     1.800 peak   204 weight  0.10000E+01 volume  0.23488E-02 ppm1      0.218 ppm2      0.746 CV     1
 ASSI {  206}
   (( segid P   and resid 236   and name HA ))
   ( segid P   and resid 236   and name HD2%) 
      2.300     1.300     1.300 peak   206 weight  0.10000E+01 volume  0.18806E-01 ppm1      4.120 ppm2      0.614 CV     1
 ASSI {  207}
   (( segid P   and resid 236   and name HB1 ))
   ( segid P   and resid 236   and name HD2%) 
      2.400     1.300     1.300 peak   207 weight  0.10000E+01 volume  0.15855E-01 ppm1      1.409 ppm2      0.613 CV     1
 ASSI {  208}
   ( segid P   and resid 235   and name HB% )
   ( segid P   and resid 236   and name HD2%) 
      3.200     3.200     2.800 peak   208 weight  0.10000E+01 volume  0.50999E-02 ppm1      1.266 ppm2      0.616 CV     1
 ASSI {  213}
   ( segid P   and resid 236   and name HD1%) 
   ( segid P   and resid 236   and name HD2%) 
      2.200     2.200     3.800 peak   213 weight  0.10000E+01 volume  0.25137E-01 ppm1      0.686 ppm2      0.614 CV     1
 ASSI {  219}
   (( segid P   and resid 230   and name HA ))
   (( segid P   and resid 230   and name HB1 ))
      3.100     2.300     2.300 peak   219 weight  0.10000E+01 volume  0.43431E-02 ppm1      4.159 ppm2      1.148 CV     1
 ASSI {  221}
   (( segid P   and resid 230   and name HB2 ))
   (( segid P   and resid 230   and name HB1 ))
      2.000     1.000     1.000 peak   221 weight  0.10000E+01 volume  0.55716E-02 ppm1      2.004 ppm2      1.160 CV     1
 ASSI {  223}
   (( segid P   and resid 230   and name HG1 ))
   (( segid P   and resid 230   and name HB1 ))
      3.500     2.700     2.500 peak   223 weight  0.10000E+01 volume  0.21623E-02 ppm1      1.485 ppm2      1.178 CV     1
 ASSI {  225}
   (( segid P   and resid 235   and name HA ))
   ( segid P   and resid 235   and name HB% )
      2.000     1.000     1.000 peak   225 weight  0.10000E+01 volume  0.33916E-01 ppm1      4.158 ppm2      1.263 CV     1
 ASSI {  227}
   (( segid P   and resid 232   and name HA ))
   ( segid P   and resid 235   and name HB% )
      3.100     2.300     2.300 peak   227 weight  0.10000E+01 volume  0.21965E-02 ppm1      3.465 ppm2      1.262 CV     1
 ASSI {  228}
   (( segid P   and resid 227   and name HA ))
   ( segid P   and resid 227   and name HG2%) 
      2.200     1.200     1.200 peak   228 weight  0.10000E+01 volume  0.25251E-01 ppm1      3.653 ppm2      1.277 CV     1
 ASSI {  235}
   (( segid P   and resid 236   and name HA ))
   (( segid P   and resid 236   and name HB1 ))
      2.200     1.200     1.200 peak   235 weight  0.10000E+01 volume  0.18751E-01 ppm1      4.120 ppm2      1.404 CV     1
 ASSI {  237}
   (( segid P   and resid 229   and name HA ))
   (( segid P   and resid 230   and name HG1 ))
      4.800     4.800     1.200 peak   237 weight  0.10000E+01 volume  0.11622E-02 ppm1      3.713 ppm2      1.485 CV     1
 ASSI {  238}
   (( segid P   and resid 229   and name HA ))
   (( segid P   and resid 229   and name HB2 ))
      3.600     2.900     2.400 peak   238 weight  0.10000E+01 volume  0.12447E-02 ppm1      3.728 ppm2      1.380 CV     1
 ASSI {  240}
   ( segid P   and resid 236   and name HD2%) 
   (( segid P   and resid 236   and name HG ))
      2.500     1.500     1.500 peak   240 weight  0.10000E+01 volume  0.70322E-02 ppm1      0.615 ppm2      1.481 CV     1
 ASSI {  241}
   ( segid P   and resid 236   and name HD1%) 
   (( segid P   and resid 236   and name HG ))
      2.500     1.500     1.500 peak   241 weight  0.10000E+01 volume  0.77361E-02 ppm1      0.688 ppm2      1.478 CV     1
 ASSI {  244}
   ( segid P   and resid 229   and name HD1%) 
   (( segid P   and resid 229   and name HB2 ))
      3.600     2.900     2.400 peak   244 weight  0.10000E+01 volume  0.39071E-02 ppm1      0.213 ppm2      1.377 CV     1
 ASSI {  245}
   (( segid P   and resid 230   and name HB2 ))
   (( segid P   and resid 230   and name HG1 ))
      2.400     1.400     1.400 peak   245 weight  0.10000E+01 volume  0.42693E-02 ppm1      2.003 ppm2      1.502 CV     1
 ASSI {  249}
   (( segid P   and resid 234   and name HA ))
   (( segid P   and resid 234   and name HG1 ))
      2.700     1.700     1.700 peak   249 weight  0.10000E+01 volume  0.74914E-02 ppm1      3.875 ppm2      1.871 CV     1
 ASSI {  250}
   (( segid P   and resid 234   and name HB2 ))
   (( segid P   and resid 234   and name HG1 ))
      2.700     1.700     1.700 peak   250 weight  0.10000E+01 volume  0.70305E-02 ppm1      2.063 ppm2      1.872 CV     1
 ASSI {  251}
   (( segid P   and resid 234   and name HG2 ))
   (( segid P   and resid 234   and name HG1 ))
      2.000     1.000     1.000 peak   251 weight  0.10000E+01 volume  0.98732E-02 ppm1      2.200 ppm2      1.867 CV     1
 ASSI {  252}
   (( segid P   and resid 234   and name HA ))
   (( segid P   and resid 234   and name HB2 ))
      2.600     1.600     1.600 peak   252 weight  0.10000E+01 volume  0.59058E-02 ppm1      3.876 ppm2      2.063 CV     1
 ASSI {  254}
   (( segid P   and resid 230   and name HA ))
   (( segid P   and resid 230   and name HB2 ))
      2.200     1.100     1.100 peak   254 weight  0.10000E+01 volume  0.11929E-01 ppm1      4.158 ppm2      2.002 CV     1
 ASSI {  258}
   (( segid P   and resid 234   and name HG2 ))
   (( segid P   and resid 234   and name HB2 ))
      2.600     1.600     1.600 peak   258 weight  0.10000E+01 volume  0.11349E-01 ppm1      2.199 ppm2      2.067 CV     1
 ASSI {  263}
   (( segid P   and resid 234   and name HA ))
   (( segid P   and resid 234   and name HG2 ))
      2.900     1.900     1.900 peak   263 weight  0.10000E+01 volume  0.12898E-01 ppm1      3.875 ppm2      2.196 CV     1
 ASSI {  264}
   (( segid P   and resid 233   and name HA ))
   (( segid P   and resid 233   and name HB1 ))
      2.700     1.700     1.700 peak   264 weight  0.10000E+01 volume  0.10406E-01 ppm1      4.222 ppm2      2.427 CV     1
 ASSI {  265}
   (( segid P   and resid 233   and name HB2 ))
   (( segid P   and resid 233   and name HB1 ))
      1.700     0.700     0.700 peak   265 weight  0.10000E+01 volume  0.32033E-01 ppm1      2.573 ppm2      2.429 CV     1
 ASSI {  266}
   (( segid P   and resid 232   and name HB1 ))
   (( segid P   and resid 232   and name HB2 ))
      2.000     1.000     1.000 peak   266 weight  0.10000E+01 volume  0.49457E-02 ppm1      2.749 ppm2      2.491 CV     1
 ASSI {  268}
   (( segid P   and resid 233   and name HA ))
   (( segid P   and resid 233   and name HB2 ))
      2.500     1.500     1.500 peak   268 weight  0.10000E+01 volume  0.13101E-01 ppm1      4.222 ppm2      2.580 CV     1
 ASSI {  272}
   (( segid P   and resid 232   and name HA ))
   (( segid P   and resid 232   and name HB2 ))
      3.100     2.200     2.200 peak   272 weight  0.10000E+01 volume  0.16175E-02 ppm1      3.476 ppm2      2.503 CV     1
 ASSI {  276}
   (( segid P   and resid 232   and name HA ))
   (( segid P   and resid 232   and name HB1 ))
      3.800     3.300     2.200 peak   276 weight  0.10000E+01 volume  0.10474E-02 ppm1      3.482 ppm2      2.757 CV     1
 ASSI {  279}
   (( segid P   and resid 237   and name HA ))
   (( segid P   and resid 237   and name HB2 ))
      2.900     2.000     2.000 peak   279 weight  0.10000E+01 volume  0.69909E-02 ppm1      4.345 ppm2      3.024 CV     1
 ASSI {  280}
   (( segid P   and resid 237   and name HB1 ))
   (( segid P   and resid 237   and name HB2 ))
      1.500     0.600     0.700 peak   280 weight  0.10000E+01 volume  0.53950E-01 ppm1      3.192 ppm2      3.029 CV     1
 ASSI {  282}
   (( segid P   and resid 237   and name HA ))
   (( segid P   and resid 237   and name HB1 ))
      2.600     1.600     1.600 peak   282 weight  0.10000E+01 volume  0.88014E-02 ppm1      4.348 ppm2      3.201 CV     1
 ASSI {  284}
   (( segid P   and resid 227   and name HB ))
   (( segid P   and resid 227   and name HA ))
      1.900     0.900     0.900 peak   284 weight  0.10000E+01 volume  0.36888E-01 ppm1      4.211 ppm2      3.653 CV     1
 ASSI {  286}
   (( segid P   and resid 231   and name HB1 ))
   (( segid P   and resid 231   and name HB2 ))
      1.900     0.900     0.900 peak   286 weight  0.10000E+01 volume  0.12873E-01 ppm1      4.249 ppm2      3.900 CV     1
 ASSI {  287}
   (( segid P   and resid 231   and name HB1 ))
   (( segid P   and resid 231   and name HB2 ))
      1.800     0.800     0.800 peak   287 weight  0.10000E+01 volume  0.22331E-01 ppm1      4.192 ppm2      3.900 CV     1
 OR {  287}
   (( segid P   and resid 231   and name HA ))
   (( segid P   and resid 231   and name HB2 ))
 ASSI {  288}
   (( segid P   and resid 228   and name HA1 ))
   (( segid P   and resid 228   and name HA2 ))
      1.800     0.800     0.800 peak   288 weight  0.10000E+01 volume  0.19115E-01 ppm1      4.136 ppm2      3.850 CV     1
 ASSI {  318}
   ( segid P   and resid 227   and name HG2%) 
   (( segid P   and resid 227   and name HB ))
      3.000     2.100     2.100 peak   318 weight  0.10000E+01 volume  0.32022E-02 ppm1      1.286 ppm2      4.227 CV     1
 ASSI {  327}
   (( segid P   and resid 231   and name HA ))
   (( segid P   and resid 231   and name HN ))
      3.000     2.000     2.000 peak   327 weight  0.10000E+01 volume  0.37489E-02 ppm1      4.227 ppm2      8.579 CV     1
 OR {  327}
   (( segid P   and resid 231   and name HB1 ))
   (( segid P   and resid 231   and name HN ))
 ASSI {  329}
   (( segid P   and resid 236   and name HB1 ))
   ( segid P   and resid 232   and name HD% )
      4.600     4.600     1.400 peak   329 weight  0.10000E+01 volume  0.92885E-03 ppm1      1.415 ppm2      6.643 CV     1
 ASSI {  330}
   (( segid P   and resid 233   and name HB2 ))
   (( segid P   and resid 235   and name HN ))
      4.400     4.300     1.600 peak   330 weight  0.10000E+01 volume  0.13967E-02 ppm1      2.573 ppm2      8.044 CV     1
 ASSI {  335}
   (( segid P   and resid 234   and name HA ))
   (( segid P   and resid 236   and name HN ))
      4.200     4.000     1.800 peak   335 weight  0.10000E+01 volume  0.82638E-03 ppm1      3.875 ppm2      7.254 CV     1
 ASSI {  336}
   (( segid P   and resid 233   and name HA ))
   (( segid P   and resid 236   and name HN ))
      4.200     3.900     1.800 peak   336 weight  0.10000E+01 volume  0.84353E-03 ppm1      4.246 ppm2      7.254 CV     1
 ASSI {  339}
   (( segid P   and resid 230   and name HG1 ))
   (( segid P   and resid 230   and name HD1 ))
      2.500     1.500     1.500 peak   339 weight  0.10000E+01 volume  0.29774E-02 ppm1      1.491 ppm2      1.214 CV     1
 ASSI {  340}
   (( segid P   and resid 233   and name HB1 ))
   (( segid P   and resid 231   and name HN ))
      4.200     3.900     1.800 peak   340 weight  0.10000E+01 volume  0.86125E-03 ppm1      2.448 ppm2      8.579 CV     1
 ASSI {  342}
   (( segid P   and resid 229   and name HB2 ))
   (( segid P   and resid 229   and name HB1 ))
      2.100     1.100     1.100 peak   342 weight  0.10000E+01 volume  0.35695E-02 ppm1      1.371 ppm2      0.742 CV     1
 ASSI {  343}
   (( segid P   and resid 229   and name HA ))
   (( segid P   and resid 230   and name HB2 ))
      5.000     5.000     1.000 peak   343 weight  0.10000E+01 volume  0.13677E-02 ppm1      3.711 ppm2      1.984 CV     1
 ASSI {  345}
   (( segid P   and resid 237   and name HA ))
   (( segid P   and resid 236   and name HB1 ))
      3.600     2.900     2.400 peak   345 weight  0.10000E+01 volume  0.16380E-02 ppm1      4.354 ppm2      1.403 CV     1
 ASSI {  347}
   (( segid P   and resid 236   and name HB1 ))
   (( segid P   and resid 233   and name HN ))
      4.900     4.900     1.100 peak   347 weight  0.10000E+01 volume  0.73153E-03 ppm1      1.403 ppm2      8.137 CV     1
 ASSI {  349}
   (( segid P   and resid 229   and name HA ))
   (( segid P   and resid 229   and name HG ))
      3.200     2.400     2.400 peak   349 weight  0.10000E+01 volume  0.94007E-03 ppm1      3.723 ppm2      0.717 CV     1
 OR {  349}
   (( segid P   and resid 229   and name HA ))
   (( segid P   and resid 229   and name HB1 ))
 ASSI {  350}
   (( segid P   and resid 229   and name HA ))
   (( segid P   and resid 229   and name HG ))
      3.400     2.700     2.600 peak   350 weight  0.10000E+01 volume  0.98192E-03 ppm1      3.722 ppm2      0.680 CV     1
 ASSI {  351}
   (( segid P   and resid 230   and name HB1 ))
   (( segid P   and resid 235   and name HN ))
      4.100     3.800     1.900 peak   351 weight  0.10000E+01 volume  0.78581E-03 ppm1      1.113 ppm2      8.051 CV     1
 ASSI {  356}
   (( segid P   and resid 230   and name HB2 ))
   (( segid P   and resid 235   and name HN ))
      3.600     2.900     2.400 peak   356 weight  0.10000E+01 volume  0.18039E-02 ppm1      2.002 ppm2      8.045 CV     1
 ASSI {  357}
   (( segid P   and resid 230   and name HB2 ))
   (( segid P   and resid 234   and name HN ))
      3.800     3.300     2.200 peak   357 weight  0.10000E+01 volume  0.11902E-02 ppm1      2.013 ppm2      7.586 CV     1
 ASSI {  358}
   (( segid P   and resid 236   and name HG ))
   (( segid P   and resid 237   and name HN ))
      4.100     3.700     1.900 peak   358 weight  0.10000E+01 volume  0.21973E-02 ppm1      1.461 ppm2      7.560 CV     1
 ASSI {  359}
   (( segid P   and resid 236   and name HG ))
   (( segid P   and resid 236   and name HN ))
      3.500     2.800     2.500 peak   359 weight  0.10000E+01 volume  0.28141E-02 ppm1      1.463 ppm2      7.255 CV     1
 ASSI {  370}
   (( segid P   and resid 233   and name HB2 ))
   (( segid P   and resid 234   and name HG2 ))
      4.000     3.600     2.000 peak   370 weight  0.10000E+01 volume  0.12887E-02 ppm1      2.580 ppm2      2.206 CV     1
 ASSI {  371}
   (( segid P   and resid 233   and name HB1 ))
   (( segid P   and resid 234   and name HG2 ))
      4.200     3.900     1.800 peak   371 weight  0.10000E+01 volume  0.15061E-02 ppm1      2.439 ppm2      2.213 CV     1
 ASSI {  373}
   (( segid P   and resid 234   and name HB2 ))
   (( segid P   and resid 233   and name HB1 ))
      5.100     5.100     0.900 peak   373 weight  0.10000E+01 volume  0.11780E-02 ppm1      2.056 ppm2      2.427 CV     1
 ASSI {  379}
   (( segid P   and resid 229   and name HN ))
   (( segid P   and resid 228   and name HA2 ))
      3.100     2.300     2.300 peak   379 weight  0.10000E+01 volume  0.26937E-02 ppm1      7.777 ppm2      3.849 CV     1
 ASSI {  389}
   (( segid P   and resid 236   and name HG ))
   ( segid P   and resid 232   and name HD% )
      4.100     3.800     1.900 peak   389 weight  0.10000E+01 volume  0.80592E-03 ppm1      1.485 ppm2      6.643 CV     1
 ASSI {  390}
   (( segid P   and resid 229   and name HG ))
   (( segid P   and resid 229   and name HN ))
      4.300     4.200     1.700 peak   390 weight  0.10000E+01 volume  0.11520E-02 ppm1      0.678 ppm2      7.786 CV     1
 ASSI {  393}
   (( segid P   and resid 229   and name HN ))
   (( segid P   and resid 228   and name HA1 ))
      3.200     2.400     2.400 peak   393 weight  0.10000E+01 volume  0.21240E-02 ppm1      7.779 ppm2      4.128 CV     1
 ASSI {  396}
   ( segid P   and resid 229   and name HD2%) 
   (( segid P   and resid 229   and name HG ))
      3.400     2.700     2.600 peak   396 weight  0.10000E+01 volume  0.93583E-03 ppm1      8.566 ppm2      0.672 CV     1
! ambiguous NOEs assigned by ARIA1.0
 ASSI {    2}
   (( segid W   and resid 557   and name HB1 ))
   (( segid W   and resid 557   and name HE1 ))
      4.800     4.800     1.200 peak     2 weight  0.10000E+01 volume  0.50595E-03 ppm1      3.844 ppm2     10.183 CV     1
 OR {    2}
   (( segid P   and resid 228   and name HA2 ))
   (( segid W   and resid 557   and name HE1 ))
 ASSI {   10}
   (( segid W   and resid 535   and name HB2 ))
   (( segid W   and resid 535   and name HE1 ))
      4.600     4.600     1.400 peak    10 weight  0.10000E+01 volume  0.71275E-03 ppm1      3.308 ppm2     10.119 CV     1
 OR {   10}
   (( segid W   and resid 532   and name HD1 ))
   (( segid W   and resid 535   and name HE1 ))
 ASSI {   14}
   (( segid W   and resid 532   and name HG1 ))
   (( segid W   and resid 535   and name HE1 ))
      4.600     4.600     1.400 peak    14 weight  0.10000E+01 volume  0.91304E-03 ppm1      1.665 ppm2     10.117 CV     1
 OR {   14}
   ( segid W   and resid 556   and name HG2%) 
   (( segid W   and resid 535   and name HE1 ))
 ASSI {   15}
   (( segid W   and resid 532   and name HG2 ))
   (( segid W   and resid 535   and name HE1 ))
      3.500     2.900     2.500 peak    15 weight  0.10000E+01 volume  0.18202E-02 ppm1      1.378 ppm2     10.115 CV     1
 OR {   15}
   ( segid W   and resid 551   and name HB% )
   (( segid W   and resid 535   and name HE1 ))
 ASSI {   24}
   (( segid W   and resid 550   and name HD2 ))
   (( segid W   and resid 536   and name HN ))
      3.700     3.100     2.300 peak    24 weight  0.10000E+01 volume  0.12911E-02 ppm1      6.797 ppm2      9.625 CV     1
 OR {   24}
   (( segid W   and resid 535   and name HZ3 ))
   (( segid W   and resid 536   and name HN ))
 ASSI {   26}
   (( segid W   and resid 547   and name HA ))
   (( segid W   and resid 536   and name HN ))
      4.100     3.800     1.900 peak    26 weight  0.10000E+01 volume  0.74896E-03 ppm1      5.124 ppm2      9.625 CV     1
 OR {   26}
   (( segid W   and resid 537   and name HA ))
   (( segid W   and resid 536   and name HN ))
 ASSI {   32}
   (( segid W   and resid 548   and name HB ))
   (( segid W   and resid 536   and name HN ))
      2.900     2.000     2.000 peak    32 weight  0.10000E+01 volume  0.29643E-02 ppm1      1.459 ppm2      9.627 CV     1
 OR {   32}
   (( segid W   and resid 531   and name HB2 ))
   (( segid W   and resid 536   and name HN ))
 ASSI {   33}
   ( segid W   and resid 531   and name HD1%) 
   (( segid W   and resid 536   and name HN ))
      4.200     3.900     1.800 peak    33 weight  0.10000E+01 volume  0.11169E-02 ppm1      1.062 ppm2      9.627 CV     1
 OR {   33}
   (( segid W   and resid 548   and name HG12)) 
   (( segid W   and resid 536   and name HN ))
 ASSI {   35}
   ( segid W   and resid 548   and name HG2%) 
   (( segid W   and resid 536   and name HN ))
      4.000     3.600     2.000 peak    35 weight  0.10000E+01 volume  0.11637E-02 ppm1      0.162 ppm2      9.625 CV     1
 OR {   35}
   (( segid W   and resid 560   and name HG1 ))
   (( segid W   and resid 536   and name HN ))
 ASSI {   38}
   (( segid W   and resid 545   and name HA ))
   (( segid W   and resid 540   and name HN ))
      2.600     1.600     1.600 peak    38 weight  0.10000E+01 volume  0.42783E-02 ppm1      4.727 ppm2      9.390 CV     1
 OR {   38}
   (( segid W   and resid 540   and name HA ))
   (( segid W   and resid 540   and name HN ))
 ASSI {   40}
   ( segid W   and resid 540   and name HB% )
   (( segid W   and resid 540   and name HN ))
      2.100     1.100     1.100 peak    40 weight  0.10000E+01 volume  0.10340E-01 ppm1      1.885 ppm2      9.392 CV     1
 OR {   40}
   (( segid W   and resid 539   and name HB ))
   (( segid W   and resid 540   and name HN ))
 ASSI {   42}
   (( segid W   and resid 544   and name HN ))
   (( segid W   and resid 540   and name HN ))
      3.800     3.300     2.200 peak    42 weight  0.10000E+01 volume  0.89293E-03 ppm1      8.094 ppm2      9.394 CV     1
 OR {   42}
   (( segid W   and resid 542   and name HN ))
   (( segid W   and resid 540   and name HN ))
 ASSI {   55}
   ( segid W   and resid 540   and name HB% )
   (( segid W   and resid 546   and name HN ))
      4.000     3.700     2.000 peak    55 weight  0.10000E+01 volume  0.11712E-02 ppm1      1.890 ppm2      9.346 CV     1
 OR {   55}
   (( segid W   and resid 539   and name HB ))
   (( segid W   and resid 546   and name HN ))
 ASSI {   61}
   (( segid W   and resid 535   and name HZ3 ))
   (( segid W   and resid 548   and name HN ))
      4.300     4.100     1.700 peak    61 weight  0.10000E+01 volume  0.51382E-03 ppm1      6.829 ppm2      9.179 CV     1
 OR {   61}
   (( segid W   and resid 550   and name HD2 ))
   (( segid W   and resid 548   and name HN ))
 ASSI {   65}
   (( segid W   and resid 547   and name HB1 ))
   (( segid W   and resid 548   and name HN ))
      3.100     2.200     2.200 peak    65 weight  0.10000E+01 volume  0.19454E-02 ppm1      3.347 ppm2      9.179 CV     1
 OR {   65}
   (( segid W   and resid 535   and name HB2 ))
   (( segid W   and resid 548   and name HN ))
 ASSI {   67}
   ( segid W   and resid 556   and name HG2%) 
   (( segid W   and resid 548   and name HN ))
      4.200     3.900     1.800 peak    67 weight  0.10000E+01 volume  0.60988E-03 ppm1      1.647 ppm2      9.181 CV     1
 OR {   67}
   (( segid W   and resid 537   and name HB2 ))
   (( segid W   and resid 548   and name HN ))
 ASSI {   73}
   (( segid W   and resid 549   and name HN ))
   (( segid W   and resid 556   and name HN ))
      4.800     4.800     1.200 peak    73 weight  0.10000E+01 volume  0.54986E-03 ppm1      8.265 ppm2      9.124 CV     1
 OR {   73}
   (( segid W   and resid 557   and name HE3 ))
   (( segid W   and resid 556   and name HN ))
 ASSI {   81}
   (( segid W   and resid 546   and name HB2 ))
   (( segid W   and resid 556   and name HN ))
      3.900     3.500     2.100 peak    81 weight  0.10000E+01 volume  0.12908E-02 ppm1      3.173 ppm2      9.122 CV     1
 OR {   81}
   (( segid W   and resid 547   and name HB2 ))
   (( segid W   and resid 556   and name HN ))
 ASSI {   92}
   (( segid W   and resid 546   and name HB2 ))
   (( segid W   and resid 547   and name HN ))
      2.400     1.400     1.400 peak    92 weight  0.10000E+01 volume  0.46193E-02 ppm1      3.180 ppm2      9.119 CV     1
 OR {   92}
   (( segid W   and resid 547   and name HB2 ))
   (( segid W   and resid 547   and name HN ))
 ASSI {   96}
   ( segid W   and resid 546   and name HD% )
   (( segid W   and resid 547   and name HN ))
      2.700     1.800     1.800 peak    96 weight  0.10000E+01 volume  0.45998E-02 ppm1      7.065 ppm2      9.119 CV     1
 OR {   96}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 547   and name HN ))
 ASSI {   97}
   (( segid W   and resid 546   and name HN ))
   (( segid W   and resid 545   and name HN ))
      4.100     3.800     1.900 peak    97 weight  0.10000E+01 volume  0.99784E-03 ppm1      9.367 ppm2      8.974 CV     1
 OR {   97}
   (( segid W   and resid 540   and name HN ))
   (( segid W   and resid 545   and name HN ))
 ASSI {  101}
   (( segid W   and resid 545   and name HB ))
   (( segid W   and resid 545   and name HN ))
      2.500     1.500     1.500 peak   101 weight  0.10000E+01 volume  0.80278E-02 ppm1      4.040 ppm2      8.976 CV     1
 OR {  101}
   (( segid W   and resid 566   and name HB2 ))
   (( segid W   and resid 545   and name HN ))
 ASSI {  109}
   (( segid W   and resid 533   and name HB2 ))
   (( segid W   and resid 534   and name HN ))
      3.500     2.800     2.500 peak   109 weight  0.10000E+01 volume  0.22177E-02 ppm1      2.413 ppm2      8.906 CV     1
 OR {  109}
   (( segid W   and resid 534   and name HB1 ))
   (( segid W   and resid 534   and name HN ))
 ASSI {  110}
   (( segid W   and resid 534   and name HB2 ))
   (( segid W   and resid 534   and name HN ))
      3.700     3.000     2.300 peak   110 weight  0.10000E+01 volume  0.11201E-02 ppm1      2.065 ppm2      8.906 CV     1
 OR {  110}
   (( segid W   and resid 533   and name HG1 ))
   (( segid W   and resid 534   and name HN ))
 ASSI {  115}
   (( segid W   and resid 544   and name HN ))
   (( segid W   and resid 543   and name HN ))
      2.300     1.300     1.300 peak   115 weight  0.10000E+01 volume  0.66620E-02 ppm1      8.089 ppm2      8.711 CV     1
 OR {  115}
   (( segid W   and resid 542   and name HN ))
   (( segid W   and resid 543   and name HN ))
 ASSI {  116}
   (( segid W   and resid 542   and name HA ))
   (( segid W   and resid 543   and name HN ))
      3.300     2.500     2.500 peak   116 weight  0.10000E+01 volume  0.22517E-02 ppm1      4.488 ppm2      8.713 CV     1
 OR {  116}
   (( segid W   and resid 544   and name HA ))
   (( segid W   and resid 543   and name HN ))
 ASSI {  120}
   ( segid W   and resid 540   and name HB% )
   (( segid W   and resid 543   and name HN ))
      3.200     2.400     2.400 peak   120 weight  0.10000E+01 volume  0.27632E-02 ppm1      1.890 ppm2      8.711 CV     1
 OR {  120}
   (( segid W   and resid 544   and name HB1 ))
   (( segid W   and resid 543   and name HN ))
 ASSI {  124}
   (( segid W   and resid 537   and name HA ))
   (( segid W   and resid 537   and name HN ))
      2.700     1.700     1.700 peak   124 weight  0.10000E+01 volume  0.29650E-02 ppm1      5.109 ppm2      8.697 CV     1
 OR {  124}
   (( segid W   and resid 547   and name HA ))
   (( segid W   and resid 537   and name HN ))
 ASSI {  136}
   (( segid W   and resid 547   and name HN ))
   (( segid W   and resid 558   and name HN ))
      4.100     3.700     1.900 peak   136 weight  0.10000E+01 volume  0.60459E-03 ppm1      9.101 ppm2      8.684 CV     1
 OR {  136}
   (( segid W   and resid 556   and name HN ))
   (( segid W   and resid 558   and name HN ))
 ASSI {  165}
   (( segid W   and resid 532   and name HD2 ))
   (( segid W   and resid 561   and name HN ))
      3.300     2.400     2.400 peak   165 weight  0.10000E+01 volume  0.28318E-02 ppm1      2.870 ppm2      8.475 CV     1
 OR {  165}
   (( segid W   and resid 560   and name HD1 ))
   (( segid W   and resid 561   and name HN ))
 OR {  165}
   (( segid W   and resid 561   and name HD1 ))
   (( segid W   and resid 561   and name HN ))
 ASSI {  181}
   (( segid W   and resid 556   and name HN ))
   (( segid W   and resid 557   and name HN ))
      4.100     3.700     1.900 peak   181 weight  0.10000E+01 volume  0.69235E-03 ppm1      9.114 ppm2      8.830 CV     1
 OR {  181}
   (( segid W   and resid 547   and name HN ))
   (( segid W   and resid 557   and name HN ))
 ASSI {  190}
   ( segid W   and resid 556   and name HG2%) 
   (( segid W   and resid 557   and name HN ))
      3.700     3.200     2.300 peak   190 weight  0.10000E+01 volume  0.15563E-02 ppm1      1.622 ppm2      8.826 CV     1
 OR {  190}
   (( segid W   and resid 558   and name HG12)) 
   (( segid W   and resid 557   and name HN ))
 ASSI {  201}
   (( segid W   and resid 528   and name HG2 ))
   (( segid W   and resid 529   and name HN ))
      3.300     2.500     2.500 peak   201 weight  0.10000E+01 volume  0.38575E-02 ppm1      2.254 ppm2      8.525 CV     1
 OR {  201}
   (( segid W   and resid 529   and name HG1 ))
   (( segid W   and resid 529   and name HN ))
 ASSI {  202}
   (( segid W   and resid 529   and name HB1 ))
   (( segid W   and resid 529   and name HN ))
      3.100     2.200     2.200 peak   202 weight  0.10000E+01 volume  0.51695E-02 ppm1      1.868 ppm2      8.525 CV     1
 OR {  202}
   (( segid W   and resid 528   and name HB2 ))
   (( segid W   and resid 529   and name HN ))
 ASSI {  218}
   (( segid W   and resid 528   and name HG2 ))
   (( segid W   and resid 528   and name HN ))
      3.500     2.800     2.500 peak   218 weight  0.10000E+01 volume  0.28567E-02 ppm1      2.210 ppm2      8.479 CV     1
 OR {  218}
   (( segid W   and resid 527   and name HG1 ))
   (( segid W   and resid 528   and name HN ))
 ASSI {  219}
   (( segid W   and resid 528   and name HA ))
   (( segid W   and resid 528   and name HN ))
      2.300     1.300     1.300 peak   219 weight  0.10000E+01 volume  0.10538E-01 ppm1      4.274 ppm2      8.477 CV     1
 OR {  219}
   (( segid W   and resid 527   and name HA ))
   (( segid W   and resid 528   and name HN ))
 ASSI {  220}
   (( segid W   and resid 528   and name HB2 ))
   (( segid W   and resid 528   and name HN ))
      2.700     1.800     1.800 peak   220 weight  0.10000E+01 volume  0.46809E-02 ppm1      1.890 ppm2      8.475 CV     1
 OR {  220}
   (( segid W   and resid 527   and name HB2 ))
   (( segid W   and resid 528   and name HN ))
 ASSI {  236}
   (( segid W   and resid 551   and name HA ))
   (( segid W   and resid 551   and name HN ))
      2.500     1.500     1.500 peak   236 weight  0.10000E+01 volume  0.60215E-02 ppm1      4.165 ppm2      8.322 CV     1
 OR {  236}
   (( segid W   and resid 550   and name HA ))
   (( segid W   and resid 551   and name HN ))
 ASSI {  240}
   (( segid W   and resid 534   and name HB2 ))
   (( segid W   and resid 551   and name HN ))
      3.300     2.600     2.600 peak   240 weight  0.10000E+01 volume  0.18196E-02 ppm1      2.036 ppm2      8.329 CV     1
 OR {  240}
   (( segid W   and resid 538   and name HG2 ))
   (( segid W   and resid 539   and name HN ))
 ASSI {  250}
   (( segid W   and resid 557   and name HB2 ))
   (( segid W   and resid 566   and name HN ))
      3.900     3.400     2.100 peak   250 weight  0.10000E+01 volume  0.10478E-02 ppm1      3.102 ppm2      8.428 CV     1
 OR {  250}
   (( segid W   and resid 559   and name HB2 ))
   (( segid W   and resid 566   and name HN ))
 ASSI {  262}
   ( segid W   and resid 556   and name HG2%) 
   (( segid W   and resid 549   and name HN ))
      4.100     3.800     1.900 peak   262 weight  0.10000E+01 volume  0.94454E-03 ppm1      1.629 ppm2      8.265 CV     1
 OR {  262}
   (( segid W   and resid 554   and name HB1 ))
   (( segid W   and resid 549   and name HN ))
 ASSI {  264}
   (( segid W   and resid 548   and name HN ))
   (( segid W   and resid 549   and name HN ))
      4.100     3.900     1.900 peak   264 weight  0.10000E+01 volume  0.89979E-03 ppm1      9.158 ppm2      8.265 CV     1
 OR {  264}
   (( segid W   and resid 556   and name HN ))
   (( segid W   and resid 549   and name HN ))
 ASSI {  267}
   (( segid W   and resid 535   and name HZ3 ))
   (( segid W   and resid 549   and name HN ))
      3.900     3.400     2.100 peak   267 weight  0.10000E+01 volume  0.53990E-03 ppm1      6.834 ppm2      8.270 CV     1
 OR {  267}
   (( segid W   and resid 550   and name HD2 ))
   (( segid W   and resid 549   and name HN ))
 ASSI {  272}
   (( segid W   and resid 548   and name HB ))
   (( segid W   and resid 549   and name HN ))
      3.900     3.500     2.100 peak   272 weight  0.10000E+01 volume  0.10209E-02 ppm1      1.413 ppm2      8.272 CV     1
 OR {  272}
   (( segid W   and resid 554   and name HG1 ))
   (( segid W   and resid 549   and name HN ))
 ASSI {  288}
   (( segid W   and resid 565   and name HA ))
   (( segid W   and resid 564   and name HN ))
      4.600     4.600     1.400 peak   288 weight  0.10000E+01 volume  0.62383E-03 ppm1      4.610 ppm2      8.164 CV     1
 OR {  288}
   (( segid W   and resid 562   and name HA ))
   (( segid W   and resid 564   and name HN ))
 ASSI {  292}
   (( segid W   and resid 559   and name HB2 ))
   (( segid W   and resid 564   and name HN ))
      3.900     3.500     2.100 peak   292 weight  0.10000E+01 volume  0.12324E-02 ppm1      3.103 ppm2      8.155 CV     1
 OR {  292}
   (( segid W   and resid 564   and name HD1 ))
   (( segid W   and resid 564   and name HN ))
 ASSI {  305}
   (( segid W   and resid 544   and name HA ))
   (( segid W   and resid 544   and name HN ))
      2.800     1.800     1.800 peak   305 weight  0.10000E+01 volume  0.34157E-02 ppm1      4.470 ppm2      8.109 CV     1
 OR {  305}
   (( segid W   and resid 542   and name HA ))
   (( segid W   and resid 544   and name HN ))
 ASSI {  313}
   (( segid W   and resid 541   and name HD2 ))
   (( segid W   and resid 542   and name HN ))
      4.000     3.600     2.000 peak   313 weight  0.10000E+01 volume  0.13602E-02 ppm1      3.867 ppm2      8.059 CV     1
 OR {  313}
   (( segid P   and resid 228   and name HA2 ))
   (( segid W   and resid 542   and name HN ))
 ASSI {  317}
   ( segid W   and resid 540   and name HB% )
   (( segid W   and resid 542   and name HN ))
      2.400     1.400     1.400 peak   317 weight  0.10000E+01 volume  0.49187E-02 ppm1      1.892 ppm2      8.047 CV     1
 OR {  317}
   (( segid W   and resid 541   and name HB1 ))
   (( segid W   and resid 542   and name HN ))
 ASSI {  321}
   (( segid W   and resid 555   and name HB ))
   (( segid W   and resid 555   and name HN ))
      3.600     3.000     2.400 peak   321 weight  0.10000E+01 volume  0.11372E-02 ppm1      4.196 ppm2      8.016 CV     1
 OR {  321}
   (( segid P   and resid 231   and name HA ))
   (( segid W   and resid 555   and name HN ))
 OR {  321}
   (( segid W   and resid 548   and name HA ))
   (( segid W   and resid 555   and name HN ))
 ASSI {  329}
   ( segid W   and resid 546   and name HD% )
   (( segid W   and resid 538   and name HN ))
      3.700     3.100     2.300 peak   329 weight  0.10000E+01 volume  0.10459E-02 ppm1      7.059 ppm2      8.062 CV     1
 OR {  329}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 538   and name HN ))
 ASSI {  334}
   (( segid W   and resid 538   and name HG1 ))
   (( segid W   and resid 538   and name HN ))
      3.600     2.900     2.400 peak   334 weight  0.10000E+01 volume  0.18837E-02 ppm1      2.123 ppm2      8.064 CV     1
 OR {  334}
   (( segid W   and resid 537   and name HG1 ))
   (( segid W   and resid 538   and name HN ))
 ASSI {  339}
   ( segid W   and resid 545   and name HG2%) 
   (( segid W   and resid 538   and name HN ))
      3.400     2.600     2.600 peak   339 weight  0.10000E+01 volume  0.24861E-02 ppm1      0.833 ppm2      8.064 CV     1
 OR {  339}
   ( segid W   and resid 539   and name HG2%) 
   (( segid W   and resid 538   and name HN ))
 OR {  339}
   ( segid W   and resid 531   and name HD2%) 
   (( segid W   and resid 538   and name HN ))
 ASSI {  350}
   (( segid W   and resid 558   and name HG12)) 
   (( segid W   and resid 559   and name HN ))
      4.800     4.800     1.200 peak   350 weight  0.10000E+01 volume  0.62714E-03 ppm1      1.603 ppm2      7.925 CV     1
 OR {  350}
   ( segid W   and resid 556   and name HG2%) 
   (( segid W   and resid 559   and name HN ))
 ASSI {  355}
   (( segid W   and resid 535   and name HE3 ))
   (( segid W   and resid 535   and name HN ))
      4.400     4.300     1.600 peak   355 weight  0.10000E+01 volume  0.72583E-03 ppm1      7.557 ppm2      7.936 CV     1
 OR {  355}
   (( segid W   and resid 550   and name HE1 ))
   (( segid W   and resid 535   and name HN ))
 ASSI {  362}
   (( segid W   and resid 533   and name HB1 ))
   (( segid W   and resid 535   and name HN ))
      4.200     3.900     1.800 peak   362 weight  0.10000E+01 volume  0.71816E-03 ppm1      1.969 ppm2      7.933 CV     1
 OR {  362}
   (( segid W   and resid 532   and name HB1 ))
   (( segid W   and resid 535   and name HN ))
 ASSI {  364}
   (( segid W   and resid 531   and name HB2 ))
   (( segid W   and resid 535   and name HN ))
      3.600     3.000     2.400 peak   364 weight  0.10000E+01 volume  0.13747E-02 ppm1      1.463 ppm2      7.933 CV     1
 OR {  364}
   (( segid W   and resid 534   and name HG2 ))
   (( segid W   and resid 535   and name HN ))
 ASSI {  366}
   (( segid W   and resid 534   and name HB1 ))
   (( segid W   and resid 535   and name HN ))
      4.100     3.800     1.900 peak   366 weight  0.10000E+01 volume  0.10227E-02 ppm1      2.409 ppm2      7.929 CV     1
 OR {  366}
   (( segid W   and resid 532   and name HB2 ))
   (( segid W   and resid 535   and name HN ))
 OR {  366}
   (( segid W   and resid 533   and name HB2 ))
   (( segid W   and resid 535   and name HN ))
 ASSI {  370}
   ( segid P   and resid 235   and name HB% )
   (( segid W   and resid 538   and name HE21)) 
      3.100     2.200     2.200 peak   370 weight  0.10000E+01 volume  0.24929E-02 ppm1      1.303 ppm2      7.541 CV     1
 OR {  370}
   (( segid W   and resid 538   and name HB2 ))
   (( segid W   and resid 538   and name HE21)) 
 ASSI {  378}
   (( segid W   and resid 550   and name HA ))
   (( segid W   and resid 554   and name HN ))
      3.800     3.300     2.200 peak   378 weight  0.10000E+01 volume  0.13088E-02 ppm1      4.222 ppm2      7.423 CV     1
 OR {  378}
   (( segid W   and resid 548   and name HA ))
   (( segid W   and resid 554   and name HN ))
 OR {  378}
   (( segid W   and resid 552   and name HA ))
   (( segid W   and resid 554   and name HN ))
 ASSI {  379}
   (( segid W   and resid 549   and name HA ))
   (( segid W   and resid 554   and name HN ))
      4.200     3.900     1.800 peak   379 weight  0.10000E+01 volume  0.91903E-03 ppm1      3.436 ppm2      7.426 CV     1
 OR {  379}
   (( segid W   and resid 552   and name HB2 ))
   (( segid W   and resid 554   and name HN ))
 ASSI {  380}
   (( segid W   and resid 554   and name HD1 ))
   (( segid W   and resid 554   and name HN ))
      4.400     4.300     1.600 peak   380 weight  0.10000E+01 volume  0.58488E-03 ppm1      3.147 ppm2      7.430 CV     1
 OR {  380}
   (( segid W   and resid 550   and name HB1 ))
   (( segid W   and resid 554   and name HN ))
 ASSI {  383}
   (( segid W   and resid 554   and name HB1 ))
   (( segid W   and resid 554   and name HN ))
      3.400     2.600     2.600 peak   383 weight  0.10000E+01 volume  0.26407E-02 ppm1      1.625 ppm2      7.430 CV     1
 OR {  383}
   (( segid W   and resid 553   and name HB1 ))
   (( segid W   and resid 554   and name HN ))
 ASSI {  385}
   ( segid W   and resid 555   and name HG2%) 
   (( segid W   and resid 554   and name HN ))
      4.000     3.600     2.000 peak   385 weight  0.10000E+01 volume  0.10197E-02 ppm1      0.994 ppm2      7.426 CV     1
 OR {  385}
   (( segid W   and resid 553   and name HG2 ))
   (( segid W   and resid 554   and name HN ))
 ASSI {  391}
   (( segid W   and resid 559   and name HB2 ))
   (( segid W   and resid 562   and name HD22)) 
      4.000     3.700     2.000 peak   391 weight  0.10000E+01 volume  0.64649E-03 ppm1      3.110 ppm2      7.419 CV     1
 OR {  391}
   (( segid W   and resid 564   and name HD1 ))
   (( segid W   and resid 562   and name HD22)) 
 ASSI {  400}
   ( segid P   and resid 235   and name HB% )
   (( segid W   and resid 538   and name HE22)) 
      3.500     2.800     2.500 peak   400 weight  0.10000E+01 volume  0.25685E-02 ppm1      1.294 ppm2      7.295 CV     1
 OR {  400}
   (( segid W   and resid 538   and name HB2 ))
   (( segid W   and resid 538   and name HE22)) 
 ASSI {  404}
   (( segid W   and resid 563   and name HN ))
   (( segid W   and resid 562   and name HN ))
      2.400     1.400     1.400 peak   404 weight  0.10000E+01 volume  0.40172E-02 ppm1      8.504 ppm2      7.161 CV     1
 OR {  404}
   (( segid W   and resid 561   and name HN ))
   (( segid W   and resid 562   and name HN ))
 ASSI {  406}
   (( segid W   and resid 561   and name HA ))
   (( segid W   and resid 562   and name HN ))
      3.300     2.500     2.500 peak   406 weight  0.10000E+01 volume  0.22627E-02 ppm1      3.856 ppm2      7.159 CV     1
 OR {  406}
   (( segid W   and resid 563   and name HA1 ))
   (( segid W   and resid 562   and name HN ))
 ASSI {  408}
   (( segid W   and resid 562   and name HB1 ))
   (( segid W   and resid 562   and name HN ))
      3.800     3.200     2.200 peak   408 weight  0.10000E+01 volume  0.16245E-02 ppm1      2.805 ppm2      7.163 CV     1
 OR {  408}
   (( segid W   and resid 561   and name HD2 ))
   (( segid W   and resid 562   and name HN ))
 ASSI {  418}
   (( segid W   and resid 550   and name HB1 ))
   (( segid W   and resid 552   and name HN ))
      4.700     4.700     1.300 peak   418 weight  0.10000E+01 volume  0.59785E-03 ppm1      3.127 ppm2      6.984 CV     1
 OR {  418}
   (( segid W   and resid 554   and name HD1 ))
   (( segid W   and resid 552   and name HN ))
 ASSI {  420}
   (( segid W   and resid 549   and name HB2 ))
   (( segid W   and resid 552   and name HN ))
      3.600     2.900     2.400 peak   420 weight  0.10000E+01 volume  0.75123E-03 ppm1      2.053 ppm2      6.986 CV     1
 OR {  420}
   (( segid W   and resid 534   and name HB2 ))
   (( segid W   and resid 552   and name HN ))
 ASSI {  423}
   (( segid W   and resid 562   and name HB1 ))
   (( segid W   and resid 562   and name HD21)) 
      3.700     3.100     2.300 peak   423 weight  0.10000E+01 volume  0.16518E-02 ppm1      2.801 ppm2      6.745 CV     1
 OR {  423}
   (( segid W   and resid 561   and name HD2 ))
   (( segid W   and resid 562   and name HD21)) 
 ASSI {  427}
   (( segid W   and resid 550   and name HA ))
   (( segid W   and resid 553   and name HN ))
      3.000     2.100     2.100 peak   427 weight  0.10000E+01 volume  0.22036E-02 ppm1      4.241 ppm2      7.366 CV     1
 OR {  427}
   (( segid W   and resid 552   and name HA ))
   (( segid W   and resid 553   and name HN ))
 ASSI {  430}
   (( segid W   and resid 553   and name HD1 ))
   (( segid W   and resid 553   and name HN ))
      4.000     3.500     2.000 peak   430 weight  0.10000E+01 volume  0.78139E-03 ppm1      3.073 ppm2      7.364 CV     1
 OR {  430}
   (( segid W   and resid 550   and name HB1 ))
   (( segid W   and resid 553   and name HN ))
 ASSI {  437}
   (( segid W   and resid 540   and name HN ))
   (( segid W   and resid 539   and name HN ))
      4.000     3.600     2.000 peak   437 weight  0.10000E+01 volume  0.10536E-02 ppm1      9.367 ppm2      8.333 CV     1
 OR {  437}
   (( segid W   and resid 546   and name HN ))
   (( segid W   and resid 539   and name HN ))
 ASSI {  444}
   (( segid P   and resid 230   and name HD1 ))
   (( segid W   and resid 540   and name HN ))
      5.500     5.500     0.500 peak   444 weight  0.10000E+01 volume  0.24140E-03 ppm1      2.080 ppm2      9.386 CV     1
 OR {  444}
   (( segid W   and resid 538   and name HG1 ))
   (( segid W   and resid 540   and name HN ))
 OR {  444}
   (( segid W   and resid 541   and name HG1 ))
   (( segid W   and resid 540   and name HN ))
 ASSI {  445}
   (( segid W   and resid 538   and name HB2 ))
   (( segid W   and resid 540   and name HN ))
      4.500     4.500     1.500 peak   445 weight  0.10000E+01 volume  0.32525E-03 ppm1      1.297 ppm2      9.395 CV     1
 OR {  445}
   (( segid W   and resid 544   and name HD2 ))
   (( segid W   and resid 540   and name HN ))
 ASSI {  446}
   (( segid W   and resid 544   and name HG2 ))
   (( segid W   and resid 540   and name HN ))
      4.700     4.700     1.300 peak   446 weight  0.10000E+01 volume  0.40360E-03 ppm1      1.514 ppm2      9.386 CV     1
 OR {  446}
   (( segid P   and resid 230   and name HG2 ))
   (( segid W   and resid 540   and name HN ))
 ASSI {  448}
   (( segid W   and resid 560   and name HD1 ))
   (( segid W   and resid 535   and name HE1 ))
      4.700     4.700     1.300 peak   448 weight  0.10000E+01 volume  0.46373E-03 ppm1      2.858 ppm2     10.113 CV     1
 OR {  448}
   (( segid W   and resid 532   and name HD2 ))
   (( segid W   and resid 535   and name HE1 ))
 ASSI {  449}
   (( segid W   and resid 533   and name HD2 ))
   (( segid W   and resid 535   and name HE1 ))
      5.900     5.900     0.100 peak   449 weight  0.10000E+01 volume  0.22660E-03 ppm1      3.920 ppm2     10.128 CV     1
 OR {  449}
   (( segid W   and resid 560   and name HA ))
   (( segid W   and resid 535   and name HE1 ))
 ASSI {  451}
   (( segid W   and resid 560   and name HA ))
   (( segid W   and resid 535   and name HE1 ))
      5.600     5.600     0.400 peak   451 weight  0.10000E+01 volume  0.22879E-03 ppm1      3.986 ppm2     10.118 CV     1
 OR {  451}
   (( segid W   and resid 534   and name HA ))
   (( segid W   and resid 535   and name HE1 ))
 ASSI {  468}
   (( segid W   and resid 547   and name HN ))
   (( segid W   and resid 546   and name HN ))
      4.400     4.300     1.600 peak   468 weight  0.10000E+01 volume  0.71403E-03 ppm1      9.115 ppm2      9.350 CV     1
 OR {  468}
   (( segid W   and resid 556   and name HN ))
   (( segid W   and resid 546   and name HN ))
 ASSI {  472}
   (( segid W   and resid 538   and name HG1 ))
   (( segid W   and resid 546   and name HN ))
      4.600     4.600     1.400 peak   472 weight  0.10000E+01 volume  0.42181E-03 ppm1      2.105 ppm2      9.350 CV     1
 OR {  472}
   (( segid W   and resid 538   and name HG2 ))
   (( segid W   and resid 546   and name HN ))
 OR {  472}
   ( segid W   and resid 537   and name HE% )
   (( segid W   and resid 546   and name HN ))
 OR {  472}
   (( segid P   and resid 230   and name HD1 ))
   (( segid W   and resid 546   and name HN ))
 ASSI {  473}
   (( segid W   and resid 544   and name HG2 ))
   (( segid W   and resid 546   and name HN ))
      5.300     5.300     0.700 peak   473 weight  0.10000E+01 volume  0.25174E-03 ppm1      1.458 ppm2      9.356 CV     1
 OR {  473}
   (( segid P   and resid 230   and name HG2 ))
   (( segid W   and resid 546   and name HN ))
 ASSI {  474}
   (( segid W   and resid 544   and name HG1 ))
   (( segid W   and resid 546   and name HN ))
      4.700     4.700     1.300 peak   474 weight  0.10000E+01 volume  0.41878E-03 ppm1      1.639 ppm2      9.349 CV     1
 OR {  474}
   (( segid W   and resid 537   and name HB2 ))
   (( segid W   and resid 546   and name HN ))
 OR {  474}
   ( segid W   and resid 556   and name HG2%) 
   (( segid W   and resid 546   and name HN ))
 ASSI {  477}
   (( segid W   and resid 538   and name HB1 ))
   (( segid W   and resid 546   and name HN ))
      4.800     4.800     1.200 peak   477 weight  0.10000E+01 volume  0.32582E-03 ppm1      1.125 ppm2      9.348 CV     1
 OR {  477}
   (( segid W   and resid 548   and name HG12)) 
   (( segid W   and resid 546   and name HN ))
 ASSI {  485}
   (( segid W   and resid 549   and name HB2 ))
   (( segid W   and resid 548   and name HN ))
      5.800     5.800     0.200 peak   485 weight  0.10000E+01 volume  0.17348E-03 ppm1      2.094 ppm2      9.181 CV     1
 OR {  485}
   ( segid W   and resid 537   and name HE% )
   (( segid W   and resid 548   and name HN ))
 OR {  485}
   (( segid W   and resid 538   and name HG1 ))
   (( segid W   and resid 548   and name HN ))
 OR {  485}
   (( segid W   and resid 538   and name HG2 ))
   (( segid W   and resid 548   and name HN ))
 ASSI {  487}
   (( segid W   and resid 537   and name HB1 ))
   (( segid W   and resid 548   and name HN ))
      5.300     5.300     0.700 peak   487 weight  0.10000E+01 volume  0.42210E-03 ppm1      1.911 ppm2      9.181 CV     1
 OR {  487}
   ( segid W   and resid 540   and name HB% )
   (( segid W   and resid 548   and name HN ))
 ASSI {  491}
   (( segid W   and resid 558   and name HN ))
   (( segid W   and resid 547   and name HN ))
      4.600     4.600     1.400 peak   491 weight  0.10000E+01 volume  0.28096E-03 ppm1      8.723 ppm2      9.117 CV     1
 OR {  491}
   (( segid W   and resid 537   and name HN ))
   (( segid W   and resid 547   and name HN ))
 ASSI {  494}
   (( segid W   and resid 535   and name HZ3 ))
   (( segid W   and resid 547   and name HN ))
      5.400     5.400     0.600 peak   494 weight  0.10000E+01 volume  0.31595E-03 ppm1      6.855 ppm2      9.124 CV     1
 OR {  494}
   (( segid W   and resid 557   and name HZ3 ))
   (( segid W   and resid 547   and name HN ))
 ASSI {  495}
   (( segid W   and resid 556   and name HA ))
   (( segid W   and resid 547   and name HN ))
      4.800     4.800     1.200 peak   495 weight  0.10000E+01 volume  0.29689E-03 ppm1      4.695 ppm2      9.134 CV     1
 OR {  495}
   (( segid W   and resid 545   and name HA ))
   (( segid W   and resid 547   and name HN ))
 ASSI {  496}
   (( segid W   and resid 557   and name HB1 ))
   (( segid W   and resid 547   and name HN ))
      5.300     5.300     0.700 peak   496 weight  0.10000E+01 volume  0.29812E-03 ppm1      3.871 ppm2      9.119 CV     1
 OR {  496}
   (( segid W   and resid 536   and name HB1 ))
   (( segid W   and resid 547   and name HN ))
 ASSI {  499}
   ( segid W   and resid 540   and name HB% )
   (( segid W   and resid 547   and name HN ))
      5.300     5.300     0.700 peak   499 weight  0.10000E+01 volume  0.49191E-03 ppm1      1.897 ppm2      9.119 CV     1
 OR {  499}
   (( segid W   and resid 537   and name HB1 ))
   (( segid W   and resid 547   and name HN ))
 ASSI {  500}
   (( segid W   and resid 559   and name HB1 ))
   (( segid W   and resid 547   and name HN ))
      5.300     5.300     0.700 peak   500 weight  0.10000E+01 volume  0.21788E-03 ppm1      2.106 ppm2      9.117 CV     1
 OR {  500}
   (( segid W   and resid 549   and name HB2 ))
   (( segid W   and resid 547   and name HN ))
 OR {  500}
   ( segid W   and resid 537   and name HE% )
   (( segid W   and resid 547   and name HN ))
 OR {  500}
   (( segid W   and resid 538   and name HG2 ))
   (( segid W   and resid 547   and name HN ))
 ASSI {  501}
   (( segid W   and resid 548   and name HB ))
   (( segid W   and resid 547   and name HN ))
      5.700     5.700     0.300 peak   501 weight  0.10000E+01 volume  0.22063E-03 ppm1      1.450 ppm2      9.113 CV     1
 OR {  501}
   (( segid W   and resid 544   and name HG2 ))
   (( segid W   and resid 547   and name HN ))
 ASSI {  503}
   (( segid W   and resid 548   and name HG11)) 
   (( segid W   and resid 547   and name HN ))
      5.000     5.000     1.000 peak   503 weight  0.10000E+01 volume  0.37457E-03 ppm1      0.570 ppm2      9.122 CV     1
 OR {  503}
   (( segid W   and resid 560   and name HG2 ))
   (( segid W   and resid 547   and name HN ))
 OR {  503}
   (( segid W   and resid 549   and name HB1 ))
   (( segid W   and resid 547   and name HN ))
 ASSI {  511}
   (( segid W   and resid 549   and name HB2 ))
   (( segid W   and resid 536   and name HN ))
      5.600     5.600     0.400 peak   511 weight  0.10000E+01 volume  0.24690E-03 ppm1      2.093 ppm2      9.639 CV     1
 OR {  511}
   ( segid W   and resid 537   and name HE% )
   (( segid W   and resid 536   and name HN ))
 OR {  511}
   (( segid W   and resid 559   and name HB1 ))
   (( segid W   and resid 536   and name HN ))
 ASSI {  514}
   (( segid W   and resid 548   and name HG11)) 
   (( segid W   and resid 536   and name HN ))
      4.900     4.900     1.100 peak   514 weight  0.10000E+01 volume  0.41204E-03 ppm1      0.608 ppm2      9.618 CV     1
 OR {  514}
   (( segid W   and resid 560   and name HG2 ))
   (( segid W   and resid 536   and name HN ))
 OR {  514}
   (( segid W   and resid 549   and name HB1 ))
   (( segid W   and resid 536   and name HN ))
 ASSI {  519}
   (( segid P   and resid 229   and name HB1 ))
   (( segid W   and resid 556   and name HN ))
      5.900     5.900     0.100 peak   519 weight  0.10000E+01 volume  0.24851E-03 ppm1      1.404 ppm2      9.136 CV     1
 OR {  519}
   (( segid W   and resid 548   and name HB ))
   (( segid W   and resid 556   and name HN ))
 ASSI {  521}
   (( segid W   and resid 548   and name HG11)) 
   (( segid W   and resid 556   and name HN ))
      4.600     4.600     1.400 peak   521 weight  0.10000E+01 volume  0.45255E-03 ppm1      0.596 ppm2      9.128 CV     1
 OR {  521}
   (( segid W   and resid 549   and name HB1 ))
   (( segid W   and resid 556   and name HN ))
 ASSI {  524}
   (( segid W   and resid 540   and name HA ))
   (( segid W   and resid 543   and name HN ))
      4.600     4.600     1.400 peak   524 weight  0.10000E+01 volume  0.32297E-03 ppm1      4.739 ppm2      8.711 CV     1
 OR {  524}
   (( segid W   and resid 545   and name HA ))
   (( segid W   and resid 543   and name HN ))
 ASSI {  527}
   (( segid W   and resid 541   and name HB2 ))
   (( segid W   and resid 543   and name HN ))
      5.700     5.700     0.300 peak   527 weight  0.10000E+01 volume  0.24510E-03 ppm1      2.422 ppm2      8.711 CV     1
 OR {  527}
   (( segid W   and resid 544   and name HD1 ))
   (( segid W   and resid 543   and name HN ))
 ASSI {  530}
   (( segid W   and resid 561   and name HG1 ))
   (( segid W   and resid 563   and name HN ))
      5.200     5.200     0.800 peak   530 weight  0.10000E+01 volume  0.27242E-03 ppm1      1.742 ppm2      8.530 CV     1
 OR {  530}
   (( segid W   and resid 564   and name HB1 ))
   (( segid W   and resid 563   and name HN ))
 ASSI {  531}
   (( segid W   and resid 564   and name HG1 ))
   (( segid W   and resid 563   and name HN ))
      4.900     4.900     1.100 peak   531 weight  0.10000E+01 volume  0.26379E-03 ppm1      1.542 ppm2      8.532 CV     1
 OR {  531}
   (( segid W   and resid 561   and name HB2 ))
   (( segid W   and resid 563   and name HN ))
 ASSI {  539}
   (( segid W   and resid 549   and name HB1 ))
   (( segid W   and resid 555   and name HN ))
      5.000     5.000     1.000 peak   539 weight  0.10000E+01 volume  0.29736E-03 ppm1      0.606 ppm2      8.022 CV     1
 OR {  539}
   (( segid W   and resid 548   and name HG11)) 
   (( segid W   and resid 555   and name HN ))
 ASSI {  540}
   ( segid P   and resid 229   and name HD1%) 
   (( segid W   and resid 555   and name HN ))
      4.900     4.900     1.100 peak   540 weight  0.10000E+01 volume  0.30846E-03 ppm1      0.186 ppm2      8.014 CV     1
 OR {  540}
   ( segid W   and resid 548   and name HG2%) 
   (( segid W   and resid 555   and name HN ))
 ASSI {  541}
   (( segid W   and resid 529   and name HN ))
   (( segid W   and resid 561   and name HE ))
      3.900     3.400     2.100 peak   541 weight  0.10000E+01 volume  0.11617E-02 ppm1      8.474 ppm2      8.847 CV     1
 OR {  541}
   (( segid W   and resid 561   and name HN ))
   (( segid W   and resid 561   and name HE ))
 ASSI {  555}
   (( segid W   and resid 537   and name HG2 ))
   (( segid W   and resid 561   and name HE ))
      5.000     5.000     1.000 peak   555 weight  0.10000E+01 volume  0.27242E-03 ppm1      2.319 ppm2      8.836 CV     1
 OR {  555}
   (( segid W   and resid 559   and name HA ))
   (( segid W   and resid 561   and name HE ))
 ASSI {  557}
   (( segid W   and resid 557   and name HH2 ))
   (( segid W   and resid 542   and name HN ))
      5.000     5.000     1.000 peak   557 weight  0.10000E+01 volume  0.25971E-03 ppm1      7.018 ppm2      8.043 CV     1
 OR {  557}
   ( segid W   and resid 546   and name HD% )
   (( segid W   and resid 542   and name HN ))
 ASSI {  562}
   (( segid W   and resid 544   and name HG2 ))
   (( segid W   and resid 542   and name HN ))
      5.200     5.200     0.800 peak   562 weight  0.10000E+01 volume  0.31643E-03 ppm1      1.527 ppm2      8.046 CV     1
 OR {  562}
   (( segid P   and resid 230   and name HG2 ))
   (( segid W   and resid 542   and name HN ))
 ASSI {  574}
   (( segid W   and resid 560   and name HG2 ))
   (( segid W   and resid 535   and name HN ))
      4.700     4.700     1.300 peak   574 weight  0.10000E+01 volume  0.20308E-03 ppm1      0.603 ppm2      7.927 CV     1
 OR {  574}
   (( segid W   and resid 549   and name HB1 ))
   (( segid W   and resid 535   and name HN ))
 ASSI {  579}
   (( segid W   and resid 532   and name HB1 ))
   (( segid W   and resid 561   and name HN ))
      5.400     5.400     0.600 peak   579 weight  0.10000E+01 volume  0.30068E-03 ppm1      1.949 ppm2      8.472 CV     1
 OR {  579}
   (( segid W   and resid 529   and name HB2 ))
   (( segid W   and resid 561   and name HN ))
 ASSI {  602}
   (( segid W   and resid 561   and name HH21)) 
   (( segid W   and resid 531   and name HN ))
      4.700     4.700     1.300 peak   602 weight  0.10000E+01 volume  0.37723E-03 ppm1      7.054 ppm2      8.559 CV     1
 OR {  602}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 531   and name HN ))
 ASSI {  608}
   (( segid W   and resid 550   and name HA ))
   (( segid W   and resid 550   and name HN ))
      3.000     2.100     2.100 peak   608 weight  0.10000E+01 volume  0.22005E-02 ppm1      4.201 ppm2      8.527 CV     1
 OR {  608}
   (( segid W   and resid 551   and name HA ))
   (( segid W   and resid 550   and name HN ))
 ASSI {  610}
   (( segid W   and resid 534   and name HB2 ))
   (( segid W   and resid 550   and name HN ))
      3.700     3.000     2.300 peak   610 weight  0.10000E+01 volume  0.14318E-02 ppm1      2.045 ppm2      8.521 CV     1
 OR {  610}
   (( segid W   and resid 549   and name HB2 ))
   (( segid W   and resid 550   and name HN ))
 ASSI {  613}
   (( segid W   and resid 553   and name HN ))
   (( segid W   and resid 550   and name HN ))
      4.200     4.000     1.800 peak   613 weight  0.10000E+01 volume  0.49836E-03 ppm1      7.392 ppm2      8.519 CV     1
 OR {  613}
   (( segid W   and resid 554   and name HN ))
   (( segid W   and resid 550   and name HN ))
 ASSI {  614}
   (( segid W   and resid 535   and name HE3 ))
   (( segid W   and resid 550   and name HN ))
      4.900     4.900     1.100 peak   614 weight  0.10000E+01 volume  0.39554E-03 ppm1      7.554 ppm2      8.530 CV     1
 OR {  614}
   (( segid W   and resid 550   and name HE1 ))
   (( segid W   and resid 550   and name HN ))
 ASSI {  616}
   (( segid W   and resid 546   and name HB2 ))
   (( segid W   and resid 538   and name HN ))
      5.000     5.000     1.000 peak   616 weight  0.10000E+01 volume  0.30580E-03 ppm1      3.191 ppm2      8.069 CV     1
 OR {  616}
   (( segid W   and resid 547   and name HB2 ))
   (( segid W   and resid 538   and name HN ))
 ASSI {  617}
   (( segid W   and resid 545   and name HB ))
   (( segid W   and resid 538   and name HN ))
      4.100     3.800     1.900 peak   617 weight  0.10000E+01 volume  0.34840E-03 ppm1      4.035 ppm2      8.062 CV     1
 OR {  617}
   (( segid W   and resid 536   and name HB2 ))
   (( segid W   and resid 538   and name HN ))
 ASSI {  620}
   ( segid W   and resid 547   and name HE% )
   (( segid W   and resid 538   and name HN ))
      4.500     4.500     1.500 peak   620 weight  0.10000E+01 volume  0.27621E-03 ppm1      7.299 ppm2      8.071 CV     1
 OR {  620}
   (( segid W   and resid 538   and name HE22)) 
   (( segid W   and resid 538   and name HN ))
 ASSI {  623}
   (( segid W   and resid 548   and name HN ))
   (( segid W   and resid 538   and name HN ))
      4.700     4.700     1.300 peak   623 weight  0.10000E+01 volume  0.36072E-03 ppm1      9.153 ppm2      8.056 CV     1
 OR {  623}
   (( segid W   and resid 547   and name HN ))
   (( segid W   and resid 538   and name HN ))
 ASSI {  627}
   (( segid W   and resid 544   and name HB2 ))
   (( segid W   and resid 566   and name HN ))
      4.800     4.800     1.200 peak   627 weight  0.10000E+01 volume  0.27659E-03 ppm1      1.520 ppm2      8.434 CV     1
 OR {  627}
   (( segid W   and resid 544   and name HG2 ))
   (( segid W   and resid 566   and name HN ))
 OR {  627}
   (( segid W   and resid 564   and name HG1 ))
   (( segid W   and resid 566   and name HN ))
 ASSI {  628}
   (( segid W   and resid 564   and name HB2 ))
   (( segid W   and resid 566   and name HN ))
      4.500     4.500     1.500 peak   628 weight  0.10000E+01 volume  0.29566E-03 ppm1      1.639 ppm2      8.428 CV     1
 OR {  628}
   (( segid W   and resid 544   and name HG1 ))
   (( segid W   and resid 566   and name HN ))
 OR {  628}
   ( segid W   and resid 556   and name HG2%) 
   (( segid W   and resid 566   and name HN ))
 ASSI {  631}
   ( segid W   and resid 547   and name HE% )
   (( segid W   and resid 566   and name HN ))
      4.400     4.300     1.600 peak   631 weight  0.10000E+01 volume  0.46791E-03 ppm1      7.282 ppm2      8.432 CV     1
 OR {  631}
   (( segid W   and resid 557   and name HD1 ))
   (( segid W   and resid 566   and name HN ))
 ASSI {  632}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 566   and name HN ))
      4.400     4.200     1.600 peak   632 weight  0.10000E+01 volume  0.28408E-03 ppm1      7.112 ppm2      8.430 CV     1
 OR {  632}
   (( segid W   and resid 562   and name HN ))
   (( segid W   and resid 566   and name HN ))
 ASSI {  644}
   (( segid W   and resid 545   and name HA ))
   (( segid W   and resid 544   and name HN ))
      4.600     4.600     1.400 peak   644 weight  0.10000E+01 volume  0.27109E-03 ppm1      4.718 ppm2      8.111 CV     1
 OR {  644}
   (( segid W   and resid 540   and name HA ))
   (( segid W   and resid 544   and name HN ))
 ASSI {  645}
   (( segid W   and resid 541   and name HD2 ))
   (( segid W   and resid 544   and name HN ))
      5.300     5.300     0.700 peak   645 weight  0.10000E+01 volume  0.30400E-03 ppm1      3.869 ppm2      8.103 CV     1
 OR {  645}
   (( segid W   and resid 557   and name HB1 ))
   (( segid W   and resid 544   and name HN ))
 ASSI {  660}
   (( segid W   and resid 535   and name HH2 ))
   (( segid W   and resid 549   and name HN ))
      5.100     5.100     0.900 peak   660 weight  0.10000E+01 volume  0.31994E-03 ppm1      7.095 ppm2      8.270 CV     1
 OR {  660}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 549   and name HN ))
 ASSI {  661}
   ( segid W   and resid 546   and name HD% )
   (( segid W   and resid 549   and name HN ))
      5.000     5.000     1.000 peak   661 weight  0.10000E+01 volume  0.43405E-03 ppm1      7.009 ppm2      8.270 CV     1
 OR {  661}
   (( segid W   and resid 552   and name HN ))
   (( segid W   and resid 549   and name HN ))
 ASSI {  668}
   (( segid W   and resid 547   and name HB2 ))
   (( segid W   and resid 549   and name HN ))
      5.100     5.100     0.900 peak   668 weight  0.10000E+01 volume  0.39051E-03 ppm1      3.159 ppm2      8.272 CV     1
 OR {  668}
   (( segid W   and resid 554   and name HD1 ))
   (( segid W   and resid 549   and name HN ))
 OR {  668}
   (( segid W   and resid 546   and name HB2 ))
   (( segid W   and resid 549   and name HN ))
 ASSI {  689}
   (( segid W   and resid 562   and name HN ))
   (( segid W   and resid 559   and name HN ))
      4.400     4.300     1.600 peak   689 weight  0.10000E+01 volume  0.47455E-03 ppm1      7.126 ppm2      7.925 CV     1
 OR {  689}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 559   and name HN ))
 ASSI {  691}
   (( segid W   and resid 560   and name HD2 ))
   (( segid W   and resid 559   and name HN ))
      4.700     4.700     1.300 peak   691 weight  0.10000E+01 volume  0.45681E-03 ppm1      2.710 ppm2      7.925 CV     1
 OR {  691}
   (( segid W   and resid 562   and name HB2 ))
   (( segid W   and resid 559   and name HN ))
 ASSI {  695}
   (( segid W   and resid 544   and name HN ))
   (( segid W   and resid 542   and name HD21)) 
      4.500     4.500     1.500 peak   695 weight  0.10000E+01 volume  0.46867E-03 ppm1      8.062 ppm2      7.538 CV     1
 OR {  695}
   (( segid W   and resid 542   and name HN ))
   (( segid W   and resid 542   and name HD21)) 
 ASSI {  707}
   ( segid W   and resid 540   and name HB% )
   (( segid W   and resid 542   and name HD21)) 
      4.000     3.600     2.000 peak   707 weight  0.10000E+01 volume  0.94321E-03 ppm1      1.899 ppm2      7.548 CV     1
 OR {  707}
   (( segid W   and resid 544   and name HB1 ))
   (( segid W   and resid 542   and name HD21)) 
 ASSI {  711}
   (( segid W   and resid 529   and name HN ))
   (( segid W   and resid 561   and name HH21)) 
      4.300     4.100     1.700 peak   711 weight  0.10000E+01 volume  0.34232E-03 ppm1      8.502 ppm2      7.026 CV     1
 OR {  711}
   (( segid W   and resid 561   and name HN ))
   (( segid W   and resid 561   and name HH21)) 
 ASSI {  720}
   (( segid W   and resid 529   and name HB2 ))
   (( segid W   and resid 561   and name HH21)) 
      4.500     4.400     1.500 peak   720 weight  0.10000E+01 volume  0.36395E-03 ppm1      1.933 ppm2      7.043 CV     1
 OR {  720}
   (( segid W   and resid 528   and name HB1 ))
   (( segid W   and resid 561   and name HH21)) 
 ASSI {  746}
   (( segid W   and resid 560   and name HB1 ))
   (( segid W   and resid 562   and name HN ))
      5.400     5.400     0.600 peak   746 weight  0.10000E+01 volume  0.28371E-03 ppm1      0.859 ppm2      7.155 CV     1
 OR {  746}
   ( segid W   and resid 558   and name HD1%) 
   (( segid W   and resid 562   and name HN ))
 ASSI {  747}
   ( segid W   and resid 558   and name HG2%) 
   (( segid W   and resid 562   and name HN ))
      5.600     5.600     0.400 peak   747 weight  0.10000E+01 volume  0.31937E-03 ppm1      0.570 ppm2      7.166 CV     1
 OR {  747}
   (( segid W   and resid 560   and name HG2 ))
   (( segid W   and resid 562   and name HN ))
 ASSI {  760}
   (( segid P   and resid 236   and name HG ))
   (( segid W   and resid 538   and name HE22)) 
      4.700     4.700     1.300 peak   760 weight  0.10000E+01 volume  0.46563E-03 ppm1      1.459 ppm2      7.297 CV     1
 OR {  760}
   (( segid W   and resid 548   and name HB ))
   (( segid W   and resid 538   and name HE22)) 
 ASSI {  774}
   (( segid W   and resid 553   and name HB1 ))
   (( segid W   and resid 552   and name HN ))
      5.400     5.400     0.600 peak   774 weight  0.10000E+01 volume  0.44505E-03 ppm1      1.626 ppm2      6.984 CV     1
 OR {  774}
   (( segid W   and resid 534   and name HG1 ))
   (( segid W   and resid 552   and name HN ))
 ASSI {  775}
   (( segid W   and resid 559   and name HB2 ))
   (( segid W   and resid 562   and name HD21)) 
      4.400     4.400     1.600 peak   775 weight  0.10000E+01 volume  0.72048E-03 ppm1      3.109 ppm2      6.749 CV     1
 OR {  775}
   (( segid W   and resid 564   and name HD1 ))
   (( segid W   and resid 562   and name HD21)) 
 ASSI {  777}
   (( segid W   and resid 544   and name HN ))
   (( segid W   and resid 542   and name HD22)) 
      5.200     5.200     0.800 peak   777 weight  0.10000E+01 volume  0.44695E-03 ppm1      8.063 ppm2      5.539 CV     1
 OR {  777}
   (( segid W   and resid 542   and name HN ))
   (( segid W   and resid 542   and name HD22)) 
 ASSI {  788}
   (( segid W   and resid 544   and name HB1 ))
   (( segid W   and resid 542   and name HD22)) 
      4.400     4.300     1.600 peak   788 weight  0.10000E+01 volume  0.90735E-03 ppm1      1.898 ppm2      5.535 CV     1
 OR {  788}
   ( segid W   and resid 540   and name HB% )
   (( segid W   and resid 542   and name HD22)) 
 ASSI {  790}
   (( segid W   and resid 544   and name HD2 ))
   (( segid W   and resid 542   and name HD22)) 
      4.200     4.000     1.800 peak   790 weight  0.10000E+01 volume  0.34602E-03 ppm1      1.287 ppm2      5.543 CV     1
 OR {  790}
   ( segid P   and resid 227   and name HG2%) 
   (( segid W   and resid 542   and name HD22)) 
 ASSI {  806}
   (( segid W   and resid 542   and name HB2 ))
   (( segid W   and resid 540   and name HN ))
      5.000     5.000     1.000 peak   806 weight  0.10000E+01 volume  0.22850E-03 ppm1      3.221 ppm2      9.399 CV     1
 OR {  806}
   (( segid W   and resid 546   and name HB2 ))
   (( segid W   and resid 540   and name HN ))
 ASSI {  808}
   (( segid W   and resid 544   and name HG1 ))
   (( segid W   and resid 557   and name HE1 ))
      4.700     4.700     1.300 peak   808 weight  0.10000E+01 volume  0.30894E-03 ppm1      1.620 ppm2     10.189 CV     1
 OR {  808}
   ( segid W   and resid 556   and name HG2%) 
   (( segid W   and resid 557   and name HE1 ))
 ASSI {  828}
   (( segid W   and resid 544   and name HB1 ))
   (( segid W   and resid 544   and name HN ))
      2.500     1.500     1.500 peak   828 weight  0.10000E+01 volume  0.52092E-02 ppm1      1.903 ppm2      8.105 CV     1
 OR {  828}
   ( segid W   and resid 540   and name HB% )
   (( segid W   and resid 544   and name HN ))
 ASSI {  858}
   (( segid W   and resid 551   and name HA ))
   (( segid W   and resid 552   and name HN ))
      3.300     2.500     2.500 peak   858 weight  0.10000E+01 volume  0.19592E-02 ppm1      4.187 ppm2      6.988 CV     1
 OR {  858}
   (( segid W   and resid 550   and name HA ))
   (( segid W   and resid 552   and name HN ))
 ASSI {  898}
   (( segid P   and resid 236   and name HG ))
   (( segid W   and resid 538   and name HE21)) 
      4.900     4.900     1.100 peak   898 weight  0.10000E+01 volume  0.33531E-03 ppm1      1.456 ppm2      7.542 CV     1
 OR {  898}
   (( segid W   and resid 548   and name HB ))
   (( segid W   and resid 538   and name HE21)) 
 ASSI {  901}
   ( segid W   and resid 547   and name HE% )
   (( segid W   and resid 536   and name HN ))
      5.400     5.400     0.600 peak   901 weight  0.10000E+01 volume  0.17823E-03 ppm1      7.313 ppm2      9.629 CV     1
 OR {  901}
   (( segid W   and resid 535   and name HD1 ))
   (( segid W   and resid 536   and name HN ))
 ASSI {  905}
   (( segid P   and resid 230   and name HD1 ))
   (( segid W   and resid 540   and name HN ))
      5.700     5.700     0.300 peak   905 weight  0.10000E+01 volume  0.25155E-03 ppm1      2.169 ppm2      9.384 CV     1
 OR {  905}
   (( segid W   and resid 541   and name HG2 ))
   (( segid W   and resid 540   and name HN ))
 ASSI {  907}
   (( segid W   and resid 538   and name HA ))
   (( segid W   and resid 546   and name HN ))
      4.900     4.900     1.100 peak   907 weight  0.10000E+01 volume  0.25753E-03 ppm1      4.272 ppm2      9.348 CV     1
 OR {  907}
   (( segid W   and resid 548   and name HA ))
   (( segid W   and resid 546   and name HN ))
 ASSI {  914}
   (( segid W   and resid 559   and name HB2 ))
   (( segid W   and resid 563   and name HN ))
      5.500     5.500     0.500 peak   914 weight  0.10000E+01 volume  0.17073E-03 ppm1      3.092 ppm2      8.532 CV     1
 OR {  914}
   (( segid W   and resid 564   and name HD1 ))
   (( segid W   and resid 563   and name HN ))
 ASSI {  916}
   (( segid W   and resid 529   and name HB2 ))
   (( segid W   and resid 529   and name HN ))
      2.400     1.400     1.400 peak   916 weight  0.10000E+01 volume  0.56048E-02 ppm1      1.955 ppm2      8.524 CV     1
 OR {  916}
   (( segid W   and resid 528   and name HB1 ))
   (( segid W   and resid 529   and name HN ))
 ASSI {  936}
   (( segid W   and resid 529   and name HA ))
   (( segid W   and resid 561   and name HH21)) 
      4.900     4.900     1.100 peak   936 weight  0.10000E+01 volume  0.18430E-03 ppm1      4.456 ppm2      7.024 CV     1
 OR {  936}
   (( segid W   and resid 530   and name HA ))
   (( segid W   and resid 561   and name HH21)) 
 ASSI {    1}
   (( segid W   and resid 547   and name HN ))
   (( segid W   and resid 557   and name HE3 ))
      5.300     5.300     0.700 peak     1 weight  0.10000E+01 volume  0.37159E-03 ppm1      9.127 ppm2      8.225 CV     1
 OR {    1}
   (( segid W   and resid 556   and name HN ))
   (( segid W   and resid 557   and name HE3 ))
 ASSI {    6}
   ( segid W   and resid 540   and name HB% )
   (( segid W   and resid 557   and name HE3 ))
      5.000     5.000     1.000 peak     6 weight  0.10000E+01 volume  0.49094E-03 ppm1      1.895 ppm2      8.233 CV     1
 OR {    6}
   (( segid W   and resid 544   and name HB1 ))
   (( segid W   and resid 557   and name HE3 ))
 ASSI {   19}
   (( segid W   and resid 535   and name HB2 ))
   (( segid W   and resid 535   and name HD1 ))
      3.800     3.200     2.200 peak    19 weight  0.10000E+01 volume  0.16634E-02 ppm1      3.307 ppm2      7.298 CV     1
 OR {   19}
   (( segid W   and resid 532   and name HD1 ))
   (( segid W   and resid 535   and name HD1 ))
 ASSI {   20}
   (( segid W   and resid 532   and name HD2 ))
   (( segid W   and resid 535   and name HD1 ))
      4.200     3.900     1.800 peak    20 weight  0.10000E+01 volume  0.78796E-03 ppm1      2.870 ppm2      7.295 CV     1
 OR {   20}
   (( segid W   and resid 560   and name HD1 ))
   (( segid W   and resid 535   and name HD1 ))
 ASSI {   52}
   (( segid W   and resid 556   and name HN ))
   (( segid W   and resid 535   and name HH2 ))
      5.300     5.300     0.700 peak    52 weight  0.10000E+01 volume  0.39319E-03 ppm1      9.129 ppm2      7.097 CV     1
 OR {   52}
   (( segid W   and resid 547   and name HN ))
   (( segid W   and resid 535   and name HH2 ))
 ASSI {   73}
   (( segid W   and resid 540   and name HN ))
   (( segid W   and resid 557   and name HH2 ))
      4.700     4.700     1.300 peak    73 weight  0.10000E+01 volume  0.37516E-03 ppm1      9.385 ppm2      6.980 CV     1
 OR {   73}
   (( segid W   and resid 546   and name HN ))
   (( segid W   and resid 557   and name HH2 ))
 ASSI {   74}
   (( segid W   and resid 546   and name HN ))
   (( segid W   and resid 557   and name HZ3 ))
      4.300     4.200     1.700 peak    74 weight  0.10000E+01 volume  0.27062E-03 ppm1      9.363 ppm2      6.902 CV     1
 OR {   74}
   (( segid W   and resid 540   and name HN ))
   (( segid W   and resid 557   and name HZ3 ))
 ASSI {   75}
   (( segid W   and resid 544   and name HN ))
   (( segid W   and resid 557   and name HZ3 ))
      4.500     4.500     1.500 peak    75 weight  0.10000E+01 volume  0.36355E-03 ppm1      8.102 ppm2      6.906 CV     1
 OR {   75}
   (( segid W   and resid 542   and name HN ))
   (( segid W   and resid 557   and name HZ3 ))
 ASSI {   76}
   (( segid W   and resid 542   and name HN ))
   (( segid W   and resid 557   and name HH2 ))
      4.400     4.300     1.600 peak    76 weight  0.10000E+01 volume  0.34333E-03 ppm1      8.096 ppm2      6.990 CV     1
 OR {   76}
   (( segid W   and resid 544   and name HN ))
   (( segid W   and resid 557   and name HH2 ))
 ASSI {   84}
   (( segid W   and resid 542   and name HD21)) 
   (( segid W   and resid 557   and name HZ3 ))
      5.500     5.500     0.500 peak    84 weight  0.10000E+01 volume  0.51701E-03 ppm1      5.543 ppm2      6.909 CV     1
 OR {   84}
   (( segid W   and resid 555   and name HA ))
   (( segid W   and resid 557   and name HZ3 ))
 ASSI {   85}
   (( segid W   and resid 542   and name HA ))
   (( segid W   and resid 557   and name HH2 ))
      5.400     5.400     0.600 peak    85 weight  0.10000E+01 volume  0.34253E-03 ppm1      4.474 ppm2      6.991 CV     1
 OR {   85}
   (( segid W   and resid 539   and name HA ))
   (( segid W   and resid 557   and name HH2 ))
 ASSI {   86}
   (( segid P   and resid 228   and name HA1 ))
   (( segid W   and resid 557   and name HH2 ))
      4.900     4.900     1.100 peak    86 weight  0.10000E+01 volume  0.59866E-03 ppm1      3.865 ppm2      6.989 CV     1
 OR {   86}
   (( segid W   and resid 541   and name HD2 ))
   (( segid W   and resid 557   and name HH2 ))
 ASSI {   87}
   (( segid W   and resid 557   and name HB1 ))
   (( segid W   and resid 557   and name HZ3 ))
      5.300     5.300     0.700 peak    87 weight  0.10000E+01 volume  0.38457E-03 ppm1      3.856 ppm2      6.916 CV     1
 OR {   87}
   (( segid W   and resid 541   and name HD2 ))
   (( segid W   and resid 557   and name HZ3 ))
 ASSI {   93}
   ( segid W   and resid 540   and name HB% )
   (( segid W   and resid 557   and name HZ3 ))
      2.900     2.000     2.000 peak    93 weight  0.10000E+01 volume  0.21208E-02 ppm1      1.892 ppm2      6.908 CV     1
 OR {   93}
   (( segid W   and resid 544   and name HB1 ))
   (( segid W   and resid 557   and name HZ3 ))
 ASSI {   95}
   (( segid W   and resid 544   and name HG1 ))
   (( segid W   and resid 557   and name HH2 ))
      3.700     3.100     2.300 peak    95 weight  0.10000E+01 volume  0.62098E-03 ppm1      1.508 ppm2      6.982 CV     1
 OR {   95}
   (( segid P   and resid 230   and name HG2 ))
   (( segid W   and resid 557   and name HH2 ))
 ASSI {  102}
   (( segid W   and resid 560   and name HB1 ))
   (( segid W   and resid 535   and name HZ3 ))
      4.900     4.900     1.100 peak   102 weight  0.10000E+01 volume  0.26155E-03 ppm1      0.860 ppm2      6.846 CV     1
 OR {  102}
   ( segid W   and resid 531   and name HD2%) 
   (( segid W   and resid 535   and name HZ3 ))
 ASSI {  105}
   (( segid W   and resid 535   and name HH2 ))
   (( segid W   and resid 535   and name HZ3 ))
      2.700     1.800     1.800 peak   105 weight  0.10000E+01 volume  0.31742E-02 ppm1      7.124 ppm2      6.847 CV     1
 OR {  105}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 535   and name HZ3 ))
 ASSI {  106}
   (( segid W   and resid 556   and name HN ))
   (( segid W   and resid 535   and name HZ3 ))
      4.600     4.600     1.400 peak   106 weight  0.10000E+01 volume  0.34759E-03 ppm1      9.128 ppm2      6.846 CV     1
 OR {  106}
   (( segid W   and resid 547   and name HN ))
   (( segid W   and resid 535   and name HZ3 ))
 OR {  106}
   (( segid W   and resid 548   and name HN ))
   (( segid W   and resid 535   and name HZ3 ))
 ASSI {  113}
   (( segid W   and resid 547   and name HB2 ))
   (( segid W   and resid 535   and name HE3 ))
      2.400     1.400     1.400 peak   113 weight  0.10000E+01 volume  0.22169E-02 ppm1      3.339 ppm2      7.551 CV     1
 OR {  113}
   (( segid W   and resid 535   and name HB2 ))
   (( segid W   and resid 535   and name HE3 ))
 ASSI {  114}
   (( segid W   and resid 547   and name HB1 ))
   (( segid W   and resid 535   and name HE3 ))
      4.100     3.800     1.900 peak   114 weight  0.10000E+01 volume  0.19018E-02 ppm1      3.221 ppm2      7.551 CV     1
 OR {  114}
   (( segid W   and resid 535   and name HB1 ))
   (( segid W   and resid 535   and name HE3 ))
 ASSI {  115}
   (( segid W   and resid 560   and name HD1 ))
   (( segid W   and resid 535   and name HE3 ))
      4.100     3.800     1.900 peak   115 weight  0.10000E+01 volume  0.44626E-03 ppm1      2.884 ppm2      7.549 CV     1
 OR {  115}
   (( segid W   and resid 532   and name HD2 ))
   (( segid W   and resid 535   and name HE3 ))
 ASSI {  117}
   (( segid W   and resid 549   and name HB2 ))
   (( segid W   and resid 535   and name HE3 ))
      3.800     3.200     2.200 peak   117 weight  0.10000E+01 volume  0.39491E-03 ppm1      0.586 ppm2      7.546 CV     1
 OR {  117}
   (( segid W   and resid 560   and name HG2 ))
   (( segid W   and resid 535   and name HE3 ))
 ASSI {  118}
   (( segid W   and resid 560   and name HB1 ))
   (( segid W   and resid 535   and name HE3 ))
      4.800     4.800     1.200 peak   118 weight  0.10000E+01 volume  0.38055E-03 ppm1      0.861 ppm2      7.560 CV     1
 OR {  118}
   ( segid W   and resid 531   and name HD2%) 
   (( segid W   and resid 535   and name HE3 ))
 ASSI {  119}
   (( segid W   and resid 548   and name HB ))
   (( segid W   and resid 535   and name HE3 ))
      4.800     4.800     1.200 peak   119 weight  0.10000E+01 volume  0.29463E-03 ppm1      1.456 ppm2      7.552 CV     1
 OR {  119}
   (( segid W   and resid 531   and name HB1 ))
   (( segid W   and resid 535   and name HE3 ))
 ASSI {  120}
   (( segid W   and resid 548   and name HG11)) 
   (( segid W   and resid 535   and name HE3 ))
      5.000     5.000     1.000 peak   120 weight  0.10000E+01 volume  0.33219E-03 ppm1      1.074 ppm2      7.552 CV     1
 OR {  120}
   ( segid W   and resid 531   and name HD1%) 
   (( segid W   and resid 535   and name HE3 ))
 ASSI {  121}
   (( segid W   and resid 560   and name HG1 ))
   (( segid W   and resid 535   and name HE3 ))
      4.300     4.200     1.700 peak   121 weight  0.10000E+01 volume  0.48060E-03 ppm1      0.178 ppm2      7.550 CV     1
 OR {  121}
   ( segid W   and resid 548   and name HG2%) 
   (( segid W   and resid 535   and name HE3 ))
 ASSI {  125}
   (( segid W   and resid 549   and name HN ))
   (( segid W   and resid 550   and name HD2 ))
      4.900     4.900     1.100 peak   125 weight  0.10000E+01 volume  0.36964E-03 ppm1      8.299 ppm2      6.794 CV     1
 OR {  125}
   (( segid W   and resid 551   and name HN ))
   (( segid W   and resid 550   and name HD2 ))
 ASSI {  129}
   (( segid W   and resid 536   and name HB2 ))
   (( segid W   and resid 550   and name HD2 ))
      3.900     3.500     2.100 peak   129 weight  0.10000E+01 volume  0.96157E-03 ppm1      4.028 ppm2      6.790 CV     1
 OR {  129}
   (( segid W   and resid 534   and name HA ))
   (( segid W   and resid 550   and name HD2 ))
 ASSI {  132}
   (( segid W   and resid 549   and name HB1 ))
   (( segid W   and resid 550   and name HD2 ))
      5.300     5.300     0.700 peak   132 weight  0.10000E+01 volume  0.36734E-03 ppm1      2.024 ppm2      6.792 CV     1
 OR {  132}
   (( segid W   and resid 534   and name HB2 ))
   (( segid W   and resid 550   and name HD2 ))
 ASSI {  152}
   ( segid W   and resid 551   and name HB% )
   (( segid W   and resid 535   and name HZ2 ))
      4.000     3.700     2.000 peak   152 weight  0.10000E+01 volume  0.49691E-03 ppm1      1.379 ppm2      7.413 CV     1
 OR {  152}
   (( segid W   and resid 532   and name HG2 ))
   (( segid W   and resid 535   and name HZ2 ))
 ASSI {  154}
   (( segid W   and resid 549   and name HB2 ))
   (( segid W   and resid 535   and name HZ2 ))
      3.500     2.700     2.500 peak   154 weight  0.10000E+01 volume  0.11201E-02 ppm1      0.603 ppm2      7.410 CV     1
 OR {  154}
   (( segid W   and resid 560   and name HG2 ))
   (( segid W   and resid 535   and name HZ2 ))
 ASSI {  169}
   (( segid W   and resid 550   and name HA ))
   (( segid W   and resid 550   and name HE1 ))
      4.900     4.900     1.100 peak   169 weight  0.10000E+01 volume  0.27556E-03 ppm1      4.183 ppm2      7.553 CV     1
 OR {  169}
   (( segid W   and resid 548   and name HA ))
   (( segid W   and resid 550   and name HE1 ))
 ASSI {  187}
   (( segid W   and resid 547   and name HN ))
   ( segid W   and resid 547   and name HD% )
      3.300     2.500     2.500 peak   187 weight  0.10000E+01 volume  0.19463E-02 ppm1      9.128 ppm2      7.080 CV     1
 OR {  187}
   (( segid W   and resid 548   and name HN ))
   ( segid W   and resid 547   and name HD% )
 ASSI {  196}
   (( segid W   and resid 547   and name HA ))
   ( segid W   and resid 547   and name HD% )
      3.100     2.200     2.200 peak   196 weight  0.10000E+01 volume  0.16721E-02 ppm1      5.148 ppm2      7.081 CV     1
 OR {  196}
   (( segid W   and resid 537   and name HA ))
   ( segid W   and resid 547   and name HD% )
 ASSI {  203}
   (( segid W   and resid 547   and name HB2 ))
   ( segid W   and resid 547   and name HD% )
      2.600     1.600     1.600 peak   203 weight  0.10000E+01 volume  0.19972E-02 ppm1      3.351 ppm2      7.087 CV     1
 OR {  203}
   (( segid W   and resid 535   and name HB2 ))
   ( segid W   and resid 547   and name HD% )
 ASSI {  210}
   (( segid W   and resid 537   and name HG1 ))
   ( segid W   and resid 547   and name HD% )
      3.800     3.300     2.200 peak   210 weight  0.10000E+01 volume  0.39135E-03 ppm1      2.136 ppm2      7.085 CV     1
 OR {  210}
   (( segid W   and resid 559   and name HB2 ))
   ( segid W   and resid 547   and name HD% )
 ASSI {  211}
   (( segid W   and resid 537   and name HB2 ))
   ( segid W   and resid 547   and name HD% )
      3.400     2.700     2.600 peak   211 weight  0.10000E+01 volume  0.37079E-02 ppm1      1.886 ppm2      7.034 CV     1
 OR {  211}
   (( segid W   and resid 558   and name HB ))
   ( segid W   and resid 547   and name HD% )
 OR {  211}
   (( segid W   and resid 529   and name HB1 ))
   ( segid W   and resid 547   and name HD% )
 ASSI {  214}
   (( segid W   and resid 561   and name HG2 ))
   ( segid W   and resid 547   and name HD% )
      3.800     3.300     2.200 peak   214 weight  0.10000E+01 volume  0.12284E-02 ppm1      1.105 ppm2      7.034 CV     1
 OR {  214}
   (( segid W   and resid 548   and name HG11)) 
   ( segid W   and resid 547   and name HD% )
 ASSI {  218}
   ( segid W   and resid 556   and name HG2%) 
   ( segid W   and resid 547   and name HD% )
      4.300     4.100     1.700 peak   218 weight  0.10000E+01 volume  0.13234E-02 ppm1      1.645 ppm2      7.083 CV     1
 OR {  218}
   (( segid W   and resid 537   and name HB1 ))
   ( segid W   and resid 547   and name HD% )
 OR {  218}
   (( segid W   and resid 532   and name HG1 ))
   ( segid W   and resid 547   and name HD% )
 ASSI {  219}
   ( segid W   and resid 531   and name HD2%) 
   ( segid W   and resid 547   and name HD% )
      3.600     3.000     2.400 peak   219 weight  0.10000E+01 volume  0.15796E-02 ppm1      0.860 ppm2      7.083 CV     1
 OR {  219}
   (( segid W   and resid 560   and name HB1 ))
   ( segid W   and resid 547   and name HD% )
 ASSI {  220}
   (( segid W   and resid 566   and name HB1 ))
   ( segid W   and resid 547   and name HE% )
      4.200     3.900     1.800 peak   220 weight  0.10000E+01 volume  0.48853E-03 ppm1      4.078 ppm2      7.312 CV     1
 OR {  220}
   (( segid W   and resid 545   and name HB ))
   ( segid W   and resid 547   and name HE% )
 OR {  220}
   (( segid W   and resid 536   and name HB2 ))
   ( segid W   and resid 547   and name HE% )
 ASSI {  222}
   (( segid W   and resid 537   and name HG2 ))
   ( segid W   and resid 547   and name HE% )
      3.900     3.500     2.100 peak   222 weight  0.10000E+01 volume  0.40307E-03 ppm1      2.318 ppm2      7.314 CV     1
 OR {  222}
   (( segid W   and resid 559   and name HA ))
   ( segid W   and resid 547   and name HE% )
 ASSI {  223}
   (( segid W   and resid 537   and name HG1 ))
   ( segid W   and resid 547   and name HE% )
      3.600     3.000     2.400 peak   223 weight  0.10000E+01 volume  0.72263E-03 ppm1      2.119 ppm2      7.310 CV     1
 OR {  223}
   ( segid W   and resid 537   and name HE% )
   ( segid W   and resid 547   and name HE% )
 OR {  223}
   (( segid W   and resid 559   and name HB2 ))
   ( segid W   and resid 547   and name HE% )
 ASSI {  224}
   (( segid W   and resid 537   and name HB1 ))
   ( segid W   and resid 547   and name HE% )
      5.400     5.400     0.600 peak   224 weight  0.10000E+01 volume  0.35907E-03 ppm1      1.680 ppm2      7.304 CV     1
 OR {  224}
   (( segid W   and resid 532   and name HG1 ))
   ( segid W   and resid 547   and name HE% )
 ASSI {  227}
   (( segid W   and resid 540   and name HN ))
   ( segid W   and resid 546   and name HE% )
      3.800     3.200     2.200 peak   227 weight  0.10000E+01 volume  0.67608E-03 ppm1      9.375 ppm2      6.759 CV     1
 OR {  227}
   (( segid W   and resid 546   and name HN ))
   ( segid W   and resid 546   and name HE% )
 ASSI {  229}
   (( segid W   and resid 538   and name HN ))
   ( segid W   and resid 546   and name HE% )
      5.100     5.100     0.900 peak   229 weight  0.10000E+01 volume  0.32461E-03 ppm1      8.084 ppm2      6.756 CV     1
 OR {  229}
   (( segid P   and resid 235   and name HN ))
   ( segid W   and resid 546   and name HE% )
 OR {  229}
   (( segid W   and resid 542   and name HN ))
   ( segid W   and resid 546   and name HE% )
 ASSI {  231}
   (( segid W   and resid 546   and name HB1 ))
   ( segid W   and resid 546   and name HE% )
      4.900     4.900     1.100 peak   231 weight  0.10000E+01 volume  0.40927E-03 ppm1      3.178 ppm2      6.774 CV     1
 OR {  231}
   (( segid W   and resid 542   and name HB2 ))
   ( segid W   and resid 546   and name HE% )
 ASSI {  236}
   (( segid W   and resid 555   and name HB ))
   ( segid W   and resid 546   and name HE% )
      3.800     3.300     2.200 peak   236 weight  0.10000E+01 volume  0.11087E-02 ppm1      4.182 ppm2      6.765 CV     1
 OR {  236}
   (( segid W   and resid 548   and name HA ))
   ( segid W   and resid 546   and name HE% )
 OR {  236}
   (( segid P   and resid 235   and name HA ))
   ( segid W   and resid 546   and name HE% )
 ASSI {  237}
   (( segid W   and resid 541   and name HD2 ))
   ( segid W   and resid 546   and name HE% )
      4.500     4.500     1.500 peak   237 weight  0.10000E+01 volume  0.87090E-03 ppm1      3.871 ppm2      6.764 CV     1
 OR {  237}
   (( segid W   and resid 536   and name HB1 ))
   ( segid W   and resid 546   and name HE% )
 ASSI {  243}
   (( segid W   and resid 538   and name HG2 ))
   ( segid W   and resid 546   and name HE% )
      4.300     4.200     1.700 peak   243 weight  0.10000E+01 volume  0.52391E-03 ppm1      2.075 ppm2      6.759 CV     1
 OR {  243}
   (( segid W   and resid 538   and name HG1 ))
   ( segid W   and resid 546   and name HE% )
 OR {  243}
   (( segid W   and resid 541   and name HG2 ))
   ( segid W   and resid 546   and name HE% )
 ASSI {  245}
   ( segid P   and resid 235   and name HB% )
   ( segid W   and resid 546   and name HE% )
      2.800     1.900     1.900 peak   245 weight  0.10000E+01 volume  0.29684E-02 ppm1      1.293 ppm2      6.763 CV     1
 OR {  245}
   (( segid W   and resid 538   and name HB1 ))
   ( segid W   and resid 546   and name HE% )
 ASSI {  246}
   (( segid W   and resid 548   and name HG11)) 
   ( segid W   and resid 546   and name HE% )
      3.200     2.400     2.400 peak   246 weight  0.10000E+01 volume  0.13937E-02 ppm1      1.103 ppm2      6.764 CV     1
 OR {  246}
   (( segid W   and resid 538   and name HB2 ))
   ( segid W   and resid 546   and name HE% )
 ASSI {  251}
   (( segid W   and resid 555   and name HB ))
   ( segid W   and resid 546   and name HD% )
      3.200     2.400     2.400 peak   251 weight  0.10000E+01 volume  0.54470E-03 ppm1      4.166 ppm2      6.986 CV     1
 OR {  251}
   (( segid P   and resid 235   and name HA ))
   (( segid W   and resid 546   and name HZ ))
 ASSI {  255}
   (( segid W   and resid 538   and name HG2 ))
   (( segid W   and resid 546   and name HZ ))
      4.200     4.000     1.800 peak   255 weight  0.10000E+01 volume  0.39262E-03 ppm1      2.093 ppm2      6.987 CV     1
 OR {  255}
   (( segid P   and resid 230   and name HD2 ))
   (( segid W   and resid 546   and name HZ ))
 OR {  255}
   (( segid W   and resid 538   and name HG1 ))
   (( segid W   and resid 546   and name HZ ))
 ASSI {  256}
   ( segid P   and resid 235   and name HB% )
   (( segid W   and resid 546   and name HZ ))
      2.800     1.900     1.900 peak   256 weight  0.10000E+01 volume  0.18333E-02 ppm1      1.294 ppm2      6.985 CV     1
 OR {  256}
   (( segid W   and resid 538   and name HB1 ))
   (( segid W   and resid 546   and name HZ ))
 ASSI {  257}
   (( segid P   and resid 230   and name HB2 ))
   (( segid W   and resid 546   and name HZ ))
      4.100     3.800     1.900 peak   257 weight  0.10000E+01 volume  0.54125E-03 ppm1      1.117 ppm2      6.980 CV     1
 OR {  257}
   (( segid W   and resid 538   and name HB2 ))
   (( segid W   and resid 546   and name HZ ))
 ASSI {  266}
   (( segid W   and resid 549   and name HN ))
   (( segid W   and resid 535   and name HA ))
      4.300     4.200     1.700 peak   266 weight  0.10000E+01 volume  0.63429E-03 ppm1      8.299 ppm2      6.247 CV     1
 OR {  266}
   (( segid W   and resid 551   and name HN ))
   (( segid W   and resid 535   and name HA ))
 ASSI {  269}
   (( segid W   and resid 535   and name HD1 ))
   (( segid W   and resid 535   and name HA ))
      4.300     4.200     1.700 peak   269 weight  0.10000E+01 volume  0.52034E-03 ppm1      7.301 ppm2      6.247 CV     1
 OR {  269}
   ( segid W   and resid 547   and name HE% )
   (( segid W   and resid 535   and name HA ))
 ASSI {  271}
   (( segid W   and resid 548   and name HA ))
   (( segid W   and resid 535   and name HA ))
      4.500     4.500     1.500 peak   271 weight  0.10000E+01 volume  0.50219E-03 ppm1      4.208 ppm2      6.249 CV     1
 OR {  271}
   (( segid W   and resid 550   and name HA ))
   (( segid W   and resid 535   and name HA ))
 ASSI {  272}
   (( segid W   and resid 536   and name HB2 ))
   (( segid W   and resid 535   and name HA ))
      4.200     3.900     1.800 peak   272 weight  0.10000E+01 volume  0.60453E-03 ppm1      4.017 ppm2      6.248 CV     1
 OR {  272}
   (( segid W   and resid 534   and name HA ))
   (( segid W   and resid 535   and name HA ))
 ASSI {  279}
   (( segid W   and resid 534   and name HB2 ))
   (( segid W   and resid 535   and name HA ))
      4.700     4.700     1.300 peak   279 weight  0.10000E+01 volume  0.37963E-03 ppm1      2.063 ppm2      6.235 CV     1
 OR {  279}
   (( segid W   and resid 549   and name HB1 ))
   (( segid W   and resid 535   and name HA ))
 ASSI {  280}
   ( segid W   and resid 556   and name HG2%) 
   (( segid W   and resid 535   and name HA ))
      5.800     5.800     0.200 peak   280 weight  0.10000E+01 volume  0.24018E-03 ppm1      1.631 ppm2      6.250 CV     1
 OR {  280}
   (( segid W   and resid 534   and name HG1 ))
   (( segid W   and resid 535   and name HA ))
 OR {  280}
   (( segid W   and resid 532   and name HG1 ))
   (( segid W   and resid 535   and name HA ))
 ASSI {  281}
   (( segid W   and resid 548   and name HB ))
   (( segid W   and resid 535   and name HA ))
      3.800     3.200     2.200 peak   281 weight  0.10000E+01 volume  0.12249E-02 ppm1      1.454 ppm2      6.251 CV     1
 OR {  281}
   (( segid W   and resid 531   and name HB1 ))
   (( segid W   and resid 535   and name HA ))
 ASSI {  282}
   ( segid W   and resid 531   and name HD2%) 
   (( segid W   and resid 535   and name HA ))
      5.100     5.100     0.900 peak   282 weight  0.10000E+01 volume  0.32875E-03 ppm1      0.851 ppm2      6.261 CV     1
 OR {  282}
   (( segid W   and resid 560   and name HB1 ))
   (( segid W   and resid 535   and name HA ))
 ASSI {  285}
   ( segid W   and resid 548   and name HG2%) 
   (( segid W   and resid 535   and name HA ))
      4.200     3.900     1.800 peak   285 weight  0.10000E+01 volume  0.73652E-03 ppm1      0.156 ppm2      6.253 CV     1
 OR {  285}
   (( segid W   and resid 560   and name HG1 ))
   (( segid W   and resid 535   and name HA ))
 ASSI {  286}
   (( segid W   and resid 549   and name HB2 ))
   (( segid W   and resid 535   and name HA ))
      4.800     4.800     1.200 peak   286 weight  0.10000E+01 volume  0.29681E-03 ppm1      0.611 ppm2      6.240 CV     1
 OR {  286}
   (( segid W   and resid 560   and name HG2 ))
   (( segid W   and resid 535   and name HA ))
 ASSI {  290}
   (( segid W   and resid 558   and name HB ))
   (( segid W   and resid 557   and name HA ))
      5.000     5.000     1.000 peak   290 weight  0.10000E+01 volume  0.59721E-03 ppm1      1.904 ppm2      5.466 CV     1
 OR {  290}
   ( segid W   and resid 540   and name HB% )
   (( segid W   and resid 557   and name HA ))
 OR {  290}
   (( segid W   and resid 544   and name HB1 ))
   (( segid W   and resid 557   and name HA ))
 ASSI {  291}
   ( segid W   and resid 565   and name HB% )
   (( segid W   and resid 557   and name HA ))
      4.700     4.700     1.300 peak   291 weight  0.10000E+01 volume  0.51598E-03 ppm1      1.372 ppm2      5.467 CV     1
 OR {  291}
   (( segid P   and resid 229   and name HB1 ))
   (( segid W   and resid 557   and name HA ))
 ASSI {  304}
   (( segid W   and resid 547   and name HN ))
   (( segid W   and resid 557   and name HA ))
      3.500     2.900     2.500 peak   304 weight  0.10000E+01 volume  0.11866E-02 ppm1      9.130 ppm2      5.457 CV     1
 OR {  304}
   (( segid W   and resid 556   and name HN ))
   (( segid W   and resid 557   and name HA ))
 ASSI {  318}
   (( segid W   and resid 555   and name HB ))
   (( segid W   and resid 555   and name HA ))
      2.100     1.100     1.100 peak   318 weight  0.10000E+01 volume  0.79860E-02 ppm1      4.204 ppm2      5.523 CV     1
 OR {  318}
   (( segid W   and resid 548   and name HA ))
   (( segid W   and resid 555   and name HA ))
 ASSI {  320}
   (( segid W   and resid 547   and name HB1 ))
   (( segid W   and resid 555   and name HA ))
      4.900     4.900     1.100 peak   320 weight  0.10000E+01 volume  0.59064E-03 ppm1      3.166 ppm2      5.523 CV     1
 OR {  320}
   (( segid W   and resid 546   and name HB1 ))
   (( segid W   and resid 555   and name HA ))
 ASSI {  321}
   (( segid W   and resid 548   and name HB ))
   (( segid W   and resid 555   and name HA ))
      4.900     4.900     1.100 peak   321 weight  0.10000E+01 volume  0.50897E-03 ppm1      1.418 ppm2      5.526 CV     1
 OR {  321}
   (( segid W   and resid 554   and name HG1 ))
   (( segid W   and resid 555   and name HA ))
 ASSI {  322}
   ( segid W   and resid 556   and name HG2%) 
   (( segid W   and resid 555   and name HA ))
      3.300     2.500     2.500 peak   322 weight  0.10000E+01 volume  0.22605E-02 ppm1      1.637 ppm2      5.523 CV     1
 OR {  322}
   (( segid W   and resid 554   and name HB2 ))
   (( segid W   and resid 555   and name HA ))
 ASSI {  324}
   (( segid W   and resid 549   and name HB2 ))
   (( segid W   and resid 555   and name HA ))
      4.000     3.600     2.000 peak   324 weight  0.10000E+01 volume  0.74536E-03 ppm1      0.602 ppm2      5.522 CV     1
 OR {  324}
   (( segid W   and resid 548   and name HG12)) 
   (( segid W   and resid 555   and name HA ))
 ASSI {  326}
   ( segid P   and resid 229   and name HD1%) 
   (( segid W   and resid 555   and name HA ))
      4.100     3.800     1.900 peak   326 weight  0.10000E+01 volume  0.10593E-02 ppm1      0.168 ppm2      5.522 CV     1
 OR {  326}
   ( segid W   and resid 548   and name HG2%) 
   (( segid W   and resid 555   and name HA ))
 ASSI {  328}
   ( segid W   and resid 556   and name HG2%) 
   (( segid W   and resid 546   and name HA ))
      4.200     3.900     1.800 peak   328 weight  0.10000E+01 volume  0.85044E-03 ppm1      1.641 ppm2      5.203 CV     1
 OR {  328}
   (( segid W   and resid 544   and name HG2 ))
   (( segid W   and resid 546   and name HA ))
 ASSI {  329}
   ( segid W   and resid 545   and name HG2%) 
   (( segid W   and resid 546   and name HA ))
      4.100     3.800     1.900 peak   329 weight  0.10000E+01 volume  0.13554E-02 ppm1      0.850 ppm2      5.202 CV     1
 OR {  329}
   ( segid W   and resid 558   and name HD1%) 
   (( segid W   and resid 546   and name HA ))
 OR {  329}
   ( segid W   and resid 539   and name HG2%) 
   (( segid W   and resid 546   and name HA ))
 ASSI {  334}
   ( segid W   and resid 546   and name HD% )
   (( segid W   and resid 546   and name HA ))
      3.000     2.100     2.100 peak   334 weight  0.10000E+01 volume  0.39439E-02 ppm1      7.057 ppm2      5.206 CV     1
 OR {  334}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 546   and name HA ))
 ASSI {  343}
   (( segid W   and resid 548   and name HG11)) 
   (( segid W   and resid 537   and name HA ))
      3.300     2.500     2.500 peak   343 weight  0.10000E+01 volume  0.18032E-02 ppm1      1.085 ppm2      5.095 CV     1
 OR {  343}
   (( segid W   and resid 538   and name HB2 ))
   (( segid W   and resid 537   and name HA ))
 OR {  343}
   ( segid W   and resid 531   and name HD1%) 
   (( segid W   and resid 537   and name HA ))
 ASSI {  353}
   (( segid W   and resid 529   and name HB2 ))
   (( segid W   and resid 529   and name HA ))
      2.600     1.600     1.600 peak   353 weight  0.10000E+01 volume  0.73844E-02 ppm1      1.960 ppm2      4.484 CV     1
 OR {  353}
   (( segid W   and resid 530   and name HG1 ))
   (( segid W   and resid 529   and name HA ))
 ASSI {  363}
   ( segid W   and resid 539   and name HG2%) 
   (( segid W   and resid 538   and name HA ))
      3.300     2.600     2.600 peak   363 weight  0.10000E+01 volume  0.32075E-02 ppm1      0.873 ppm2      4.299 CV     1
 OR {  363}
   ( segid W   and resid 545   and name HG2%) 
   (( segid W   and resid 538   and name HA ))
 ASSI {  381}
   (( segid W   and resid 541   and name HB2 ))
   (( segid W   and resid 542   and name HA ))
      3.700     3.100     2.300 peak   381 weight  0.10000E+01 volume  0.12680E-02 ppm1      1.896 ppm2      4.498 CV     1
 OR {  381}
   ( segid W   and resid 540   and name HB% )
   (( segid W   and resid 542   and name HA ))
 ASSI {  396}
   (( segid W   and resid 556   and name HN ))
   (( segid W   and resid 556   and name HB ))
      3.300     2.600     2.600 peak   396 weight  0.10000E+01 volume  0.15866E-02 ppm1      9.122 ppm2      4.427 CV     1
 OR {  396}
   (( segid W   and resid 547   and name HN ))
   (( segid W   and resid 556   and name HB ))
 ASSI {  402}
   (( segid W   and resid 547   and name HB1 ))
   (( segid W   and resid 556   and name HB ))
      4.800     4.800     1.200 peak   402 weight  0.10000E+01 volume  0.62580E-03 ppm1      3.158 ppm2      4.422 CV     1
 OR {  402}
   (( segid W   and resid 546   and name HB1 ))
   (( segid W   and resid 556   and name HB ))
 ASSI {  404}
   (( segid W   and resid 544   and name HB1 ))
   (( segid W   and resid 543   and name HA1 ))
      3.600     2.900     2.400 peak   404 weight  0.10000E+01 volume  0.11717E-02 ppm1      1.892 ppm2      4.291 CV     1
 OR {  404}
   ( segid W   and resid 540   and name HB% )
   (( segid W   and resid 543   and name HA1 ))
 ASSI {  408}
   (( segid W   and resid 544   and name HA ))
   (( segid W   and resid 543   and name HA1 ))
      3.700     3.000     2.300 peak   408 weight  0.10000E+01 volume  0.11126E-02 ppm1      4.473 ppm2      4.287 CV     1
 OR {  408}
   (( segid W   and resid 542   and name HA ))
   (( segid W   and resid 543   and name HA1 ))
 ASSI {  420}
   (( segid W   and resid 546   and name HN ))
   (( segid W   and resid 545   and name HA ))
      2.000     1.000     1.000 peak   420 weight  0.10000E+01 volume  0.12120E-01 ppm1      9.360 ppm2      4.709 CV     1
 OR {  420}
   (( segid W   and resid 540   and name HN ))
   (( segid W   and resid 545   and name HA ))
 ASSI {  427}
   (( segid W   and resid 537   and name HA ))
   (( segid W   and resid 545   and name HA ))
      4.300     4.100     1.700 peak   427 weight  0.10000E+01 volume  0.10034E-02 ppm1      5.115 ppm2      4.713 CV     1
 OR {  427}
   (( segid W   and resid 547   and name HA ))
   (( segid W   and resid 545   and name HA ))
 ASSI {  435}
   ( segid W   and resid 540   and name HB% )
   (( segid W   and resid 545   and name HA ))
      3.800     3.200     2.200 peak   435 weight  0.10000E+01 volume  0.16352E-02 ppm1      1.871 ppm2      4.716 CV     1
 OR {  435}
   (( segid W   and resid 539   and name HB ))
   (( segid W   and resid 545   and name HA ))
 ASSI {  448}
   (( segid W   and resid 540   and name HN ))
   (( segid W   and resid 539   and name HA ))
      2.000     1.000     1.000 peak   448 weight  0.10000E+01 volume  0.13164E-01 ppm1      9.387 ppm2      4.420 CV     1
 OR {  448}
   (( segid W   and resid 546   and name HN ))
   (( segid W   and resid 539   and name HA ))
 ASSI {  450}
   (( segid W   and resid 543   and name HN ))
   (( segid W   and resid 539   and name HA ))
      4.600     4.600     1.400 peak   450 weight  0.10000E+01 volume  0.42259E-03 ppm1      8.699 ppm2      4.433 CV     1
 OR {  450}
   (( segid W   and resid 537   and name HN ))
   (( segid W   and resid 530   and name HA ))
 ASSI {  453}
   (( segid W   and resid 538   and name HN ))
   (( segid W   and resid 539   and name HA ))
      4.200     3.900     1.800 peak   453 weight  0.10000E+01 volume  0.51931E-03 ppm1      8.053 ppm2      4.419 CV     1
 OR {  453}
   (( segid W   and resid 542   and name HN ))
   (( segid W   and resid 539   and name HA ))
 ASSI {  461}
   (( segid W   and resid 561   and name HD1 ))
   (( segid W   and resid 530   and name HA ))
      4.200     3.900     1.800 peak   461 weight  0.10000E+01 volume  0.78110E-03 ppm1      2.842 ppm2      4.441 CV     1
 OR {  461}
   (( segid W   and resid 561   and name HD2 ))
   (( segid W   and resid 530   and name HA ))
 OR {  461}
   (( segid W   and resid 532   and name HD2 ))
   (( segid W   and resid 530   and name HA ))
 ASSI {  462}
   (( segid W   and resid 522   and name HB1 ))
   (( segid W   and resid 522   and name HA ))
      2.000     1.000     1.000 peak   462 weight  0.10000E+01 volume  0.14404E-01 ppm1      2.273 ppm2      4.440 CV     1
 OR {  462}
   (( segid W   and resid 530   and name HB1 ))
   (( segid W   and resid 530   and name HA ))
 ASSI {  463}
   (( segid W   and resid 530   and name HB2 ))
   (( segid W   and resid 530   and name HA ))
      2.400     1.400     1.400 peak   463 weight  0.10000E+01 volume  0.12802E-01 ppm1      1.908 ppm2      4.434 CV     1
 OR {  463}
   (( segid W   and resid 539   and name HB ))
   (( segid W   and resid 539   and name HA ))
 ASSI {  464}
   (( segid W   and resid 531   and name HB1 ))
   (( segid W   and resid 530   and name HA ))
      4.000     3.500     2.000 peak   464 weight  0.10000E+01 volume  0.13460E-02 ppm1      1.468 ppm2      4.441 CV     1
 OR {  464}
   (( segid W   and resid 544   and name HB2 ))
   (( segid W   and resid 539   and name HA ))
 ASSI {  470}
   (( segid W   and resid 530   and name HB1 ))
   (( segid W   and resid 532   and name HA ))
      4.200     3.900     1.800 peak   470 weight  0.10000E+01 volume  0.72641E-03 ppm1      2.284 ppm2      4.730 CV     1
 OR {  470}
   (( segid W   and resid 529   and name HG1 ))
   (( segid W   and resid 532   and name HA ))
 ASSI {  496}
   (( segid W   and resid 557   and name HA ))
   (( segid W   and resid 556   and name HA ))
      3.800     3.200     2.200 peak   496 weight  0.10000E+01 volume  0.11887E-02 ppm1      5.495 ppm2      4.663 CV     1
 OR {  496}
   (( segid W   and resid 555   and name HA ))
   (( segid W   and resid 556   and name HA ))
 ASSI {  505}
   (( segid W   and resid 553   and name HB2 ))
   (( segid W   and resid 552   and name HA ))
      4.700     4.700     1.300 peak   505 weight  0.10000E+01 volume  0.70148E-03 ppm1      1.629 ppm2      4.272 CV     1
 OR {  505}
   (( segid W   and resid 554   and name HB2 ))
   (( segid W   and resid 552   and name HA ))
 ASSI {  506}
   ( segid W   and resid 551   and name HB% )
   (( segid W   and resid 552   and name HA ))
      3.600     3.000     2.400 peak   506 weight  0.10000E+01 volume  0.19094E-02 ppm1      1.401 ppm2      4.272 CV     1
 OR {  506}
   (( segid W   and resid 554   and name HG1 ))
   (( segid W   and resid 552   and name HA ))
 ASSI {  510}
   (( segid W   and resid 548   and name HG11)) 
   (( segid W   and resid 547   and name HA ))
      3.400     2.700     2.600 peak   510 weight  0.10000E+01 volume  0.14472E-02 ppm1      1.088 ppm2      5.141 CV     1
 OR {  510}
   (( segid W   and resid 538   and name HB2 ))
   (( segid W   and resid 547   and name HA ))
 ASSI {  511}
   ( segid W   and resid 531   and name HD2%) 
   (( segid W   and resid 547   and name HA ))
      4.200     3.900     1.800 peak   511 weight  0.10000E+01 volume  0.83440E-03 ppm1      0.848 ppm2      5.140 CV     1
 OR {  511}
   ( segid W   and resid 545   and name HG2%) 
   (( segid W   and resid 547   and name HA ))
 ASSI {  514}
   ( segid W   and resid 556   and name HG2%) 
   (( segid W   and resid 547   and name HA ))
      4.000     3.600     2.000 peak   514 weight  0.10000E+01 volume  0.14660E-02 ppm1      1.656 ppm2      5.135 CV     1
 OR {  514}
   (( segid W   and resid 537   and name HB1 ))
   (( segid W   and resid 547   and name HA ))
 ASSI {  515}
   ( segid W   and resid 537   and name HE% )
   (( segid W   and resid 547   and name HA ))
      4.500     4.500     1.500 peak   515 weight  0.10000E+01 volume  0.84585E-03 ppm1      2.080 ppm2      5.135 CV     1
 OR {  515}
   (( segid W   and resid 559   and name HB2 ))
   (( segid W   and resid 547   and name HA ))
 OR {  515}
   (( segid W   and resid 538   and name HG1 ))
   (( segid W   and resid 547   and name HA ))
 OR {  515}
   (( segid W   and resid 549   and name HB1 ))
   (( segid W   and resid 547   and name HA ))
 ASSI {  530}
   (( segid W   and resid 566   and name HB1 ))
   (( segid W   and resid 544   and name HA ))
      3.800     3.300     2.200 peak   530 weight  0.10000E+01 volume  0.21646E-02 ppm1      4.037 ppm2      4.471 CV     1
 OR {  530}
   (( segid W   and resid 545   and name HB ))
   (( segid W   and resid 544   and name HA ))
 ASSI {  537}
   ( segid W   and resid 558   and name HD1%) 
   (( segid W   and resid 564   and name HA ))
      3.800     3.200     2.200 peak   537 weight  0.10000E+01 volume  0.94088E-03 ppm1      0.852 ppm2      4.437 CV     1
 OR {  537}
   ( segid W   and resid 545   and name HG2%) 
   (( segid W   and resid 544   and name HA ))
 ASSI {  538}
   (( segid W   and resid 529   and name HN ))
   (( segid W   and resid 528   and name HA ))
      2.000     1.000     1.000 peak   538 weight  0.10000E+01 volume  0.19776E-01 ppm1      8.517 ppm2      4.239 CV     1
 OR {  538}
   (( segid W   and resid 528   and name HN ))
   (( segid W   and resid 528   and name HA ))
 OR {  538}
   (( segid W   and resid 528   and name HN ))
   (( segid W   and resid 527   and name HA ))
 ASSI {  541}
   (( segid W   and resid 527   and name HB2 ))
   (( segid W   and resid 527   and name HA ))
      2.500     1.600     1.600 peak   541 weight  0.10000E+01 volume  0.67335E-02 ppm1      2.026 ppm2      4.278 CV     1
 OR {  541}
   (( segid W   and resid 528   and name HB1 ))
   (( segid W   and resid 528   and name HA ))
 ASSI {  542}
   (( segid W   and resid 527   and name HG2 ))
   (( segid W   and resid 527   and name HA ))
      2.600     1.600     1.600 peak   542 weight  0.10000E+01 volume  0.64806E-02 ppm1      2.229 ppm2      4.239 CV     1
 OR {  542}
   (( segid W   and resid 528   and name HG2 ))
   (( segid W   and resid 528   and name HA ))
 ASSI {  543}
   (( segid W   and resid 528   and name HB1 ))
   (( segid W   and resid 528   and name HA ))
      2.600     1.600     1.600 peak   543 weight  0.10000E+01 volume  0.75698E-02 ppm1      1.962 ppm2      4.239 CV     1
 OR {  543}
   (( segid W   and resid 529   and name HB2 ))
   (( segid W   and resid 528   and name HA ))
 ASSI {  556}
   (( segid W   and resid 544   and name HD1 ))
   (( segid W   and resid 557   and name HB1 ))
      4.800     4.800     1.200 peak   556 weight  0.10000E+01 volume  0.25489E-03 ppm1      1.258 ppm2      3.879 CV     1
 OR {  556}
   (( segid W   and resid 558   and name HG12)) 
   (( segid W   and resid 557   and name HB1 ))
 ASSI {  564}
   (( segid W   and resid 566   and name HB1 ))
   (( segid W   and resid 557   and name HB2 ))
      3.900     3.500     2.100 peak   564 weight  0.10000E+01 volume  0.30290E-03 ppm1      4.090 ppm2      3.109 CV     1
 OR {  564}
   (( segid P   and resid 228   and name HA2 ))
   (( segid W   and resid 557   and name HB2 ))
 ASSI {  565}
   (( segid W   and resid 565   and name HA ))
   (( segid W   and resid 557   and name HB2 ))
      4.500     4.500     1.500 peak   565 weight  0.10000E+01 volume  0.51701E-03 ppm1      4.638 ppm2      3.097 CV     1
 OR {  565}
   (( segid W   and resid 556   and name HA ))
   (( segid W   and resid 557   and name HB2 ))
 ASSI {  578}
   (( segid W   and resid 535   and name HD1 ))
   (( segid W   and resid 535   and name HB2 ))
      3.700     3.100     2.300 peak   578 weight  0.10000E+01 volume  0.73135E-03 ppm1      7.299 ppm2      3.329 CV     1
 OR {  578}
   ( segid W   and resid 547   and name HE% )
   (( segid W   and resid 535   and name HB2 ))
 ASSI {  579}
   ( segid W   and resid 547   and name HE% )
   (( segid W   and resid 535   and name HB1 ))
      3.200     2.400     2.400 peak   579 weight  0.10000E+01 volume  0.92490E-03 ppm1      7.297 ppm2      3.227 CV     1
 OR {  579}
   (( segid W   and resid 535   and name HD1 ))
   (( segid W   and resid 535   and name HB1 ))
 ASSI {  590}
   (( segid W   and resid 532   and name HD2 ))
   (( segid W   and resid 535   and name HB2 ))
      3.400     2.700     2.600 peak   590 weight  0.10000E+01 volume  0.67474E-03 ppm1      2.867 ppm2      3.329 CV     1
 OR {  590}
   (( segid W   and resid 560   and name HD1 ))
   (( segid W   and resid 535   and name HB2 ))
 ASSI {  591}
   (( segid W   and resid 532   and name HD2 ))
   (( segid W   and resid 535   and name HB1 ))
      3.300     2.500     2.500 peak   591 weight  0.10000E+01 volume  0.59215E-03 ppm1      2.858 ppm2      3.238 CV     1
 OR {  591}
   (( segid W   and resid 560   and name HD1 ))
   (( segid W   and resid 535   and name HB1 ))
 ASSI {  593}
   (( segid W   and resid 531   and name HB1 ))
   (( segid W   and resid 535   and name HB2 ))
      4.000     3.500     2.000 peak   593 weight  0.10000E+01 volume  0.12764E-02 ppm1      1.471 ppm2      3.323 CV     1
 OR {  593}
   (( segid W   and resid 548   and name HB ))
   (( segid W   and resid 535   and name HB2 ))
 ASSI {  596}
   ( segid W   and resid 531   and name HD2%) 
   (( segid W   and resid 535   and name HB2 ))
      3.800     3.300     2.200 peak   596 weight  0.10000E+01 volume  0.89171E-03 ppm1      0.864 ppm2      3.329 CV     1
 OR {  596}
   (( segid W   and resid 560   and name HB1 ))
   (( segid W   and resid 535   and name HB2 ))
 ASSI {  599}
   ( segid W   and resid 531   and name HD2%) 
   (( segid W   and resid 535   and name HB1 ))
      4.200     4.000     1.800 peak   599 weight  0.10000E+01 volume  0.99633E-03 ppm1      0.867 ppm2      3.229 CV     1
 OR {  599}
   (( segid W   and resid 560   and name HB1 ))
   (( segid W   and resid 535   and name HB1 ))
 ASSI {  613}
   (( segid W   and resid 532   and name HD2 ))
   (( segid W   and resid 561   and name HA ))
      3.800     3.200     2.200 peak   613 weight  0.10000E+01 volume  0.20744E-02 ppm1      2.843 ppm2      3.846 CV     1
 OR {  613}
   (( segid W   and resid 561   and name HD1 ))
   (( segid W   and resid 561   and name HA ))
 OR {  613}
   (( segid W   and resid 561   and name HD2 ))
   (( segid W   and resid 561   and name HA ))
 ASSI {  640}
   (( segid W   and resid 557   and name HB2 ))
   (( segid W   and resid 558   and name HA ))
      3.500     2.900     2.500 peak   640 weight  0.10000E+01 volume  0.16421E-02 ppm1      3.093 ppm2      3.785 CV     1
 OR {  640}
   (( segid W   and resid 559   and name HB1 ))
   (( segid W   and resid 558   and name HA ))
 ASSI {  657}
   ( segid W   and resid 540   and name HB% )
   (( segid W   and resid 542   and name HB2 ))
      3.800     3.200     2.200 peak   657 weight  0.10000E+01 volume  0.65039E-03 ppm1      1.899 ppm2      3.208 CV     1
 OR {  657}
   (( segid W   and resid 544   and name HB1 ))
   (( segid W   and resid 542   and name HB2 ))
 ASSI {  665}
   (( segid W   and resid 542   and name HN ))
   (( segid W   and resid 542   and name HB2 ))
      3.000     2.100     2.100 peak   665 weight  0.10000E+01 volume  0.15022E-02 ppm1      8.059 ppm2      3.215 CV     1
 OR {  665}
   (( segid W   and resid 544   and name HN ))
   (( segid W   and resid 542   and name HB2 ))
 ASSI {  670}
   ( segid W   and resid 540   and name HB% )
   (( segid W   and resid 542   and name HB1 ))
      4.000     3.600     2.000 peak   670 weight  0.10000E+01 volume  0.68817E-03 ppm1      1.894 ppm2      2.887 CV     1
 OR {  670}
   (( segid W   and resid 541   and name HB2 ))
   (( segid W   and resid 542   and name HB1 ))
 ASSI {  671}
   (( segid W   and resid 544   and name HD2 ))
   (( segid W   and resid 542   and name HB1 ))
      5.700     5.700     0.300 peak   671 weight  0.10000E+01 volume  0.27303E-03 ppm1      2.444 ppm2      2.891 CV     1
 OR {  671}
   (( segid W   and resid 541   and name HB1 ))
   (( segid W   and resid 542   and name HB1 ))
 ASSI {  682}
   (( segid W   and resid 542   and name HN ))
   (( segid W   and resid 542   and name HB1 ))
      3.000     2.100     2.100 peak   682 weight  0.10000E+01 volume  0.15588E-02 ppm1      8.057 ppm2      2.896 CV     1
 OR {  682}
   (( segid W   and resid 544   and name HN ))
   (( segid W   and resid 542   and name HB1 ))
 ASSI {  686}
   (( segid W   and resid 561   and name HN ))
   (( segid W   and resid 560   and name HA ))
      3.100     2.200     2.200 peak   686 weight  0.10000E+01 volume  0.18039E-02 ppm1      8.482 ppm2      3.942 CV     1
 OR {  686}
   (( segid W   and resid 563   and name HN ))
   (( segid W   and resid 560   and name HA ))
 ASSI {  688}
   (( segid W   and resid 535   and name HZ2 ))
   (( segid W   and resid 560   and name HA ))
      4.600     4.600     1.400 peak   688 weight  0.10000E+01 volume  0.54780E-03 ppm1      7.403 ppm2      3.950 CV     1
 OR {  688}
   (( segid W   and resid 562   and name HD22)) 
   (( segid W   and resid 560   and name HA ))
 ASSI {  693}
   (( segid W   and resid 560   and name HD1 ))
   (( segid W   and resid 560   and name HA ))
      3.500     2.800     2.500 peak   693 weight  0.10000E+01 volume  0.14240E-02 ppm1      2.877 ppm2      3.947 CV     1
 OR {  693}
   (( segid W   and resid 532   and name HD2 ))
   (( segid W   and resid 560   and name HA ))
 ASSI {  696}
   (( segid W   and resid 558   and name HB ))
   (( segid W   and resid 560   and name HA ))
      4.600     4.600     1.400 peak   696 weight  0.10000E+01 volume  0.31818E-03 ppm1      1.898 ppm2      3.942 CV     1
 OR {  696}
   (( segid W   and resid 529   and name HB1 ))
   (( segid W   and resid 560   and name HA ))
 ASSI {  703}
   (( segid W   and resid 551   and name HN ))
   (( segid W   and resid 552   and name HB1 ))
      5.200     5.200     0.800 peak   703 weight  0.10000E+01 volume  0.36976E-03 ppm1      8.314 ppm2      3.645 CV     1
 OR {  703}
   (( segid W   and resid 549   and name HN ))
   (( segid W   and resid 552   and name HB1 ))
 ASSI {  704}
   (( segid W   and resid 553   and name HN ))
   (( segid W   and resid 552   and name HB1 ))
      3.600     2.900     2.400 peak   704 weight  0.10000E+01 volume  0.11435E-02 ppm1      7.388 ppm2      3.645 CV     1
 OR {  704}
   (( segid W   and resid 554   and name HN ))
   (( segid W   and resid 552   and name HB1 ))
 ASSI {  707}
   (( segid W   and resid 553   and name HN ))
   (( segid W   and resid 552   and name HB2 ))
      3.900     3.500     2.100 peak   707 weight  0.10000E+01 volume  0.11576E-02 ppm1      7.391 ppm2      3.416 CV     1
 OR {  707}
   (( segid W   and resid 554   and name HN ))
   (( segid W   and resid 552   and name HB2 ))
 ASSI {  723}
   ( segid W   and resid 551   and name HB% )
   (( segid W   and resid 552   and name HB2 ))
      3.300     2.600     2.600 peak   723 weight  0.10000E+01 volume  0.29355E-02 ppm1      1.388 ppm2      3.418 CV     1
 OR {  723}
   (( segid W   and resid 554   and name HG1 ))
   (( segid W   and resid 552   and name HB2 ))
 ASSI {  739}
   (( segid W   and resid 544   and name HG2 ))
   (( segid W   and resid 566   and name HB1 ))
      4.200     3.900     1.800 peak   739 weight  0.10000E+01 volume  0.32725E-03 ppm1      1.625 ppm2      4.078 CV     1
 OR {  739}
   ( segid W   and resid 556   and name HG2%) 
   (( segid W   and resid 566   and name HB1 ))
 OR {  739}
   (( segid W   and resid 564   and name HB1 ))
   (( segid W   and resid 566   and name HB1 ))
 ASSI {  741}
   ( segid W   and resid 545   and name HG2%) 
   (( segid W   and resid 566   and name HB1 ))
      4.200     4.000     1.800 peak   741 weight  0.10000E+01 volume  0.84946E-03 ppm1      0.835 ppm2      4.082 CV     1
 OR {  741}
   ( segid W   and resid 539   and name HG2%) 
   (( segid W   and resid 566   and name HB1 ))
 ASSI {  742}
   (( segid W   and resid 560   and name HG2 ))
   (( segid W   and resid 559   and name HB1 ))
      4.800     4.800     1.200 peak   742 weight  0.10000E+01 volume  0.73676E-03 ppm1      0.564 ppm2      3.091 CV     1
 OR {  742}
   ( segid W   and resid 558   and name HG2%) 
   (( segid W   and resid 559   and name HB1 ))
 ASSI {  743}
   ( segid W   and resid 531   and name HD2%) 
   (( segid W   and resid 547   and name HB1 ))
      4.800     4.800     1.200 peak   743 weight  0.10000E+01 volume  0.54056E-03 ppm1      0.846 ppm2      3.174 CV     1
 OR {  743}
   (( segid W   and resid 560   and name HB1 ))
   (( segid W   and resid 547   and name HB1 ))
 OR {  743}
   ( segid W   and resid 545   and name HG2%) 
   (( segid W   and resid 546   and name HB1 ))
 OR {  743}
   ( segid W   and resid 539   and name HG2%) 
   (( segid W   and resid 546   and name HB1 ))
 ASSI {  744}
   ( segid W   and resid 531   and name HD2%) 
   (( segid W   and resid 559   and name HB1 ))
      5.300     5.300     0.700 peak   744 weight  0.10000E+01 volume  0.36447E-03 ppm1      0.845 ppm2      3.083 CV     1
 OR {  744}
   (( segid W   and resid 560   and name HB1 ))
   (( segid W   and resid 559   and name HB1 ))
 ASSI {  749}
   (( segid W   and resid 560   and name HD1 ))
   (( segid W   and resid 559   and name HB1 ))
      4.700     4.700     1.300 peak   749 weight  0.10000E+01 volume  0.58215E-03 ppm1      2.876 ppm2      3.108 CV     1
 OR {  749}
   (( segid W   and resid 561   and name HD1 ))
   (( segid W   and resid 559   and name HB1 ))
 ASSI {  750}
   (( segid W   and resid 565   and name HA ))
   (( segid W   and resid 559   and name HB1 ))
      5.100     5.100     0.900 peak   750 weight  0.10000E+01 volume  0.34173E-03 ppm1      4.603 ppm2      3.089 CV     1
 OR {  750}
   (( segid W   and resid 562   and name HA ))
   (( segid W   and resid 559   and name HB1 ))
 ASSI {  757}
   (( segid W   and resid 560   and name HG1 ))
   (( segid W   and resid 547   and name HB2 ))
      4.700     4.700     1.300 peak   757 weight  0.10000E+01 volume  0.36366E-03 ppm1      0.171 ppm2      3.348 CV     1
 OR {  757}
   ( segid W   and resid 548   and name HG2%) 
   (( segid W   and resid 547   and name HB2 ))
 ASSI {  758}
   (( segid W   and resid 560   and name HG1 ))
   (( segid W   and resid 547   and name HB1 ))
      5.100     5.100     0.900 peak   758 weight  0.10000E+01 volume  0.44339E-03 ppm1      0.147 ppm2      3.184 CV     1
 OR {  758}
   ( segid W   and resid 548   and name HG2%) 
   (( segid W   and resid 547   and name HB1 ))
 ASSI {  759}
   (( segid W   and resid 560   and name HG2 ))
   (( segid W   and resid 547   and name HB2 ))
      4.500     4.500     1.500 peak   759 weight  0.10000E+01 volume  0.32840E-03 ppm1      0.589 ppm2      3.356 CV     1
 OR {  759}
   (( segid W   and resid 549   and name HB2 ))
   (( segid W   and resid 547   and name HB2 ))
 ASSI {  761}
   ( segid W   and resid 531   and name HD2%) 
   (( segid W   and resid 547   and name HB2 ))
      4.600     4.600     1.400 peak   761 weight  0.10000E+01 volume  0.49174E-03 ppm1      0.866 ppm2      3.356 CV     1
 OR {  761}
   (( segid W   and resid 560   and name HB1 ))
   (( segid W   and resid 547   and name HB2 ))
 ASSI {  763}
   ( segid W   and resid 555   and name HG2%) 
   (( segid W   and resid 546   and name HB1 ))
      5.500     5.500     0.500 peak   763 weight  0.10000E+01 volume  0.44281E-03 ppm1      1.027 ppm2      3.174 CV     1
 OR {  763}
   ( segid W   and resid 555   and name HG2%) 
   (( segid W   and resid 547   and name HB1 ))
 ASSI {  764}
   (( segid W   and resid 544   and name HG1 ))
   (( segid W   and resid 546   and name HB1 ))
      5.200     5.200     0.800 peak   764 weight  0.10000E+01 volume  0.34127E-03 ppm1      1.436 ppm2      3.189 CV     1
 OR {  764}
   (( segid W   and resid 548   and name HB ))
   (( segid W   and resid 547   and name HB1 ))
 ASSI {  767}
   ( segid W   and resid 540   and name HB% )
   (( segid W   and resid 546   and name HB1 ))
      4.100     3.700     1.900 peak   767 weight  0.10000E+01 volume  0.76582E-03 ppm1      1.884 ppm2      3.183 CV     1
 OR {  767}
   (( segid W   and resid 544   and name HB1 ))
   (( segid W   and resid 546   and name HB1 ))
 ASSI {  777}
   (( segid W   and resid 545   and name HA ))
   (( segid W   and resid 546   and name HB1 ))
      4.600     4.600     1.400 peak   777 weight  0.10000E+01 volume  0.42225E-03 ppm1      4.696 ppm2      3.188 CV     1
 OR {  777}
   (( segid W   and resid 556   and name HA ))
   (( segid W   and resid 546   and name HB1 ))
 ASSI {  784}
   (( segid W   and resid 557   and name HZ3 ))
   (( segid W   and resid 546   and name HB1 ))
      2.900     2.000     2.000 peak   784 weight  0.10000E+01 volume  0.16866E-02 ppm1      6.863 ppm2      3.181 CV     1
 OR {  784}
   (( segid W   and resid 535   and name HZ3 ))
   (( segid W   and resid 547   and name HB1 ))
 ASSI {  785}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 547   and name HB1 ))
      2.500     1.500     1.500 peak   785 weight  0.10000E+01 volume  0.44394E-02 ppm1      7.066 ppm2      3.178 CV     1
 OR {  785}
   ( segid W   and resid 546   and name HD% )
   (( segid W   and resid 546   and name HB1 ))
 ASSI {  790}
   (( segid W   and resid 538   and name HN ))
   (( segid W   and resid 546   and name HB1 ))
      5.000     5.000     1.000 peak   790 weight  0.10000E+01 volume  0.33564E-03 ppm1      8.089 ppm2      3.188 CV     1
 OR {  790}
   (( segid W   and resid 544   and name HN ))
   (( segid W   and resid 546   and name HB1 ))
 OR {  790}
   (( segid W   and resid 538   and name HN ))
   (( segid W   and resid 547   and name HB1 ))
 ASSI {  792}
   (( segid W   and resid 558   and name HN ))
   (( segid W   and resid 546   and name HB1 ))
      4.800     4.800     1.200 peak   792 weight  0.10000E+01 volume  0.28429E-03 ppm1      8.683 ppm2      3.197 CV     1
 OR {  792}
   (( segid W   and resid 537   and name HN ))
   (( segid W   and resid 547   and name HB1 ))
 OR {  792}
   (( segid W   and resid 558   and name HN ))
   (( segid W   and resid 547   and name HB1 ))
 ASSI {  793}
   (( segid W   and resid 547   and name HN ))
   (( segid W   and resid 547   and name HB2 ))
      3.300     2.500     2.500 peak   793 weight  0.10000E+01 volume  0.19397E-02 ppm1      9.147 ppm2      3.350 CV     1
 OR {  793}
   (( segid W   and resid 548   and name HN ))
   (( segid W   and resid 547   and name HB2 ))
 ASSI {  794}
   (( segid W   and resid 547   and name HN ))
   (( segid W   and resid 547   and name HB1 ))
      2.600     1.600     1.600 peak   794 weight  0.10000E+01 volume  0.35502E-02 ppm1      9.127 ppm2      3.176 CV     1
 OR {  794}
   (( segid W   and resid 547   and name HN ))
   (( segid W   and resid 546   and name HB1 ))
 OR {  794}
   (( segid W   and resid 556   and name HN ))
   (( segid W   and resid 546   and name HB1 ))
 ASSI {  805}
   (( segid W   and resid 550   and name HE1 ))
   (( segid W   and resid 536   and name HB2 ))
      5.500     5.500     0.500 peak   805 weight  0.10000E+01 volume  0.28567E-03 ppm1      7.555 ppm2      4.017 CV     1
 OR {  805}
   (( segid W   and resid 535   and name HE3 ))
   (( segid W   and resid 536   and name HB2 ))
 ASSI {  806}
   (( segid W   and resid 550   and name HE1 ))
   (( segid W   and resid 536   and name HB1 ))
      5.000     5.000     1.000 peak   806 weight  0.10000E+01 volume  0.39319E-03 ppm1      7.549 ppm2      3.914 CV     1
 OR {  806}
   (( segid W   and resid 535   and name HE3 ))
   (( segid W   and resid 536   and name HB1 ))
 ASSI {  807}
   (( segid W   and resid 550   and name HD2 ))
   (( segid W   and resid 536   and name HB2 ))
      5.200     5.200     0.800 peak   807 weight  0.10000E+01 volume  0.43523E-03 ppm1      6.785 ppm2      4.027 CV     1
 OR {  807}
   ( segid W   and resid 546   and name HE% )
   (( segid W   and resid 536   and name HB2 ))
 ASSI {  808}
   (( segid W   and resid 550   and name HD2 ))
   (( segid W   and resid 536   and name HB1 ))
      4.300     4.200     1.700 peak   808 weight  0.10000E+01 volume  0.41983E-03 ppm1      6.790 ppm2      3.898 CV     1
 OR {  808}
   ( segid W   and resid 546   and name HE% )
   (( segid W   and resid 536   and name HB1 ))
 ASSI {  811}
   (( segid W   and resid 537   and name HA ))
   (( segid W   and resid 536   and name HB2 ))
      4.200     4.000     1.800 peak   811 weight  0.10000E+01 volume  0.74356E-03 ppm1      5.118 ppm2      4.033 CV     1
 OR {  811}
   (( segid W   and resid 547   and name HA ))
   (( segid W   and resid 536   and name HB2 ))
 ASSI {  813}
   (( segid W   and resid 537   and name HA ))
   (( segid W   and resid 536   and name HB1 ))
      4.600     4.600     1.400 peak   813 weight  0.10000E+01 volume  0.56905E-03 ppm1      5.108 ppm2      3.902 CV     1
 OR {  813}
   (( segid W   and resid 547   and name HA ))
   (( segid W   and resid 536   and name HB1 ))
 ASSI {  819}
   (( segid W   and resid 537   and name HG1 ))
   (( segid W   and resid 536   and name HB1 ))
      5.500     5.500     0.500 peak   819 weight  0.10000E+01 volume  0.30911E-03 ppm1      2.140 ppm2      3.905 CV     1
 OR {  819}
   (( segid W   and resid 538   and name HG1 ))
   (( segid W   and resid 536   and name HB1 ))
 ASSI {  823}
   (( segid W   and resid 548   and name HG11)) 
   (( segid W   and resid 536   and name HB2 ))
      4.000     3.600     2.000 peak   823 weight  0.10000E+01 volume  0.94594E-03 ppm1      1.064 ppm2      4.023 CV     1
 OR {  823}
   ( segid W   and resid 531   and name HD1%) 
   (( segid W   and resid 536   and name HB2 ))
 ASSI {  824}
   ( segid W   and resid 531   and name HD1%) 
   (( segid W   and resid 536   and name HB1 ))
      4.100     3.800     1.900 peak   824 weight  0.10000E+01 volume  0.10170E-02 ppm1      1.066 ppm2      3.908 CV     1
 OR {  824}
   (( segid W   and resid 548   and name HG11)) 
   (( segid W   and resid 536   and name HB1 ))
 ASSI {  835}
   (( segid W   and resid 551   and name HA ))
   (( segid W   and resid 534   and name HD1 ))
      4.400     4.300     1.600 peak   835 weight  0.10000E+01 volume  0.88619E-03 ppm1      4.168 ppm2      3.174 CV     1
 OR {  835}
   (( segid W   and resid 550   and name HA ))
   (( segid W   and resid 534   and name HD1 ))
 ASSI {  838}
   (( segid W   and resid 564   and name HA ))
   (( segid W   and resid 564   and name HD2 ))
      4.100     3.700     1.900 peak   838 weight  0.10000E+01 volume  0.14293E-02 ppm1      4.434 ppm2      3.141 CV     1
 OR {  838}
   (( segid W   and resid 533   and name HA ))
   (( segid W   and resid 534   and name HD1 ))
 ASSI {  842}
   (( segid W   and resid 534   and name HG1 ))
   (( segid W   and resid 534   and name HD1 ))
      2.300     1.300     1.300 peak   842 weight  0.10000E+01 volume  0.11371E-01 ppm1      1.648 ppm2      3.160 CV     1
 OR {  842}
   (( segid W   and resid 554   and name HB2 ))
   (( segid W   and resid 554   and name HD1 ))
 OR {  842}
   (( segid W   and resid 564   and name HB1 ))
   (( segid W   and resid 564   and name HD2 ))
 ASSI {  844}
   (( segid W   and resid 564   and name HG1 ))
   (( segid W   and resid 564   and name HD2 ))
      2.300     1.200     1.200 peak   844 weight  0.10000E+01 volume  0.10276E-01 ppm1      1.505 ppm2      3.136 CV     1
 OR {  844}
   (( segid W   and resid 534   and name HG2 ))
   (( segid W   and resid 534   and name HD1 ))
 ASSI {  845}
   (( segid W   and resid 549   and name HB2 ))
   (( segid W   and resid 554   and name HD1 ))
      4.900     4.900     1.100 peak   845 weight  0.10000E+01 volume  0.42075E-03 ppm1      0.581 ppm2      3.152 CV     1
 OR {  845}
   ( segid W   and resid 558   and name HG2%) 
   (( segid W   and resid 564   and name HD2 ))
 ASSI {  854}
   (( segid W   and resid 562   and name HD21)) 
   (( segid W   and resid 564   and name HD2 ))
      4.900     4.900     1.100 peak   854 weight  0.10000E+01 volume  0.44798E-03 ppm1      6.750 ppm2      3.141 CV     1
 OR {  854}
   (( segid W   and resid 550   and name HD2 ))
   (( segid W   and resid 534   and name HD1 ))
 ASSI {  855}
   (( segid W   and resid 554   and name HN ))
   (( segid W   and resid 554   and name HD1 ))
      3.900     3.400     2.100 peak   855 weight  0.10000E+01 volume  0.10342E-02 ppm1      7.429 ppm2      3.146 CV     1
 OR {  855}
   (( segid W   and resid 562   and name HD22)) 
   (( segid W   and resid 564   and name HD2 ))
 ASSI {  857}
   (( segid W   and resid 562   and name HN ))
   (( segid W   and resid 564   and name HD2 ))
      4.800     4.800     1.200 peak   857 weight  0.10000E+01 volume  0.44637E-03 ppm1      7.134 ppm2      3.156 CV     1
 OR {  857}
   (( segid W   and resid 535   and name HH2 ))
   (( segid W   and resid 554   and name HD1 ))
 ASSI {  873}
   (( segid W   and resid 553   and name HA ))
   (( segid W   and resid 553   and name HD1 ))
      3.400     2.700     2.600 peak   873 weight  0.10000E+01 volume  0.11912E-02 ppm1      2.276 ppm2      2.873 CV     1
 OR {  873}
   (( segid W   and resid 529   and name HG1 ))
   (( segid W   and resid 561   and name HD1 ))
 ASSI {  874}
   (( segid W   and resid 529   and name HG1 ))
   (( segid W   and resid 561   and name HD1 ))
      4.400     4.300     1.600 peak   874 weight  0.10000E+01 volume  0.85172E-03 ppm1      2.256 ppm2      2.819 CV     1
 OR {  874}
   (( segid W   and resid 529   and name HG1 ))
   (( segid W   and resid 561   and name HD2 ))
 OR {  874}
   (( segid W   and resid 537   and name HG2 ))
   (( segid W   and resid 561   and name HD1 ))
 ASSI {  889}
   (( segid W   and resid 561   and name HN ))
   (( segid W   and resid 561   and name HD1 ))
      4.200     3.900     1.800 peak   889 weight  0.10000E+01 volume  0.86381E-03 ppm1      8.510 ppm2      2.857 CV     1
 OR {  889}
   (( segid W   and resid 529   and name HN ))
   (( segid W   and resid 561   and name HD1 ))
 ASSI {  898}
   (( segid W   and resid 544   and name HA ))
   (( segid W   and resid 543   and name HA2 ))
      3.800     3.200     2.200 peak   898 weight  0.10000E+01 volume  0.10880E-02 ppm1      4.473 ppm2      3.539 CV     1
 OR {  898}
   (( segid W   and resid 542   and name HA ))
   (( segid W   and resid 543   and name HA2 ))
 ASSI {  903}
   (( segid W   and resid 544   and name HB1 ))
   (( segid W   and resid 543   and name HA2 ))
      4.000     3.600     2.000 peak   903 weight  0.10000E+01 volume  0.10896E-02 ppm1      1.892 ppm2      3.536 CV     1
 OR {  903}
   ( segid W   and resid 540   and name HB% )
   (( segid W   and resid 543   and name HA2 ))
 ASSI {  923}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 545   and name HB ))
      4.800     4.800     1.200 peak   923 weight  0.10000E+01 volume  0.28923E-03 ppm1      7.061 ppm2      4.033 CV     1
 OR {  923}
   ( segid W   and resid 546   and name HD% )
   (( segid W   and resid 545   and name HB ))
 ASSI {  928}
   ( segid W   and resid 537   and name HE% )
   (( segid W   and resid 545   and name HB ))
      4.100     3.700     1.900 peak   928 weight  0.10000E+01 volume  0.56319E-03 ppm1      2.102 ppm2      4.034 CV     1
 OR {  928}
   (( segid W   and resid 538   and name HG1 ))
   (( segid W   and resid 545   and name HB ))
 ASSI {  929}
   (( segid W   and resid 537   and name HB2 ))
   (( segid W   and resid 545   and name HB ))
      4.300     4.200     1.700 peak   929 weight  0.10000E+01 volume  0.44809E-03 ppm1      1.888 ppm2      4.031 CV     1
 OR {  929}
   ( segid W   and resid 540   and name HB% )
   (( segid W   and resid 545   and name HB ))
 OR {  929}
   (( segid W   and resid 539   and name HB ))
   (( segid W   and resid 545   and name HB ))
 ASSI {  959}
   (( segid W   and resid 547   and name HA ))
   (( segid W   and resid 548   and name HG12)) 
      5.000     5.000     1.000 peak   959 weight  0.10000E+01 volume  0.55630E-03 ppm1      5.130 ppm2      0.595 CV     1
 OR {  959}
   (( segid W   and resid 537   and name HA ))
   (( segid W   and resid 548   and name HG12)) 
 ASSI {  961}
   (( segid W   and resid 548   and name HA ))
   (( segid W   and resid 548   and name HG12)) 
      2.900     2.000     2.000 peak   961 weight  0.10000E+01 volume  0.17420E-02 ppm1      4.221 ppm2      0.594 CV     1
 OR {  961}
   (( segid W   and resid 555   and name HB ))
   (( segid W   and resid 548   and name HG12)) 
 ASSI {  962}
   ( segid P   and resid 235   and name HB% )
   (( segid W   and resid 548   and name HG12)) 
      3.400     2.700     2.600 peak   962 weight  0.10000E+01 volume  0.16163E-02 ppm1      1.291 ppm2      0.595 CV     1
 OR {  962}
   (( segid W   and resid 538   and name HB1 ))
   (( segid W   and resid 548   and name HG12)) 
 ASSI {  970}
   (( segid W   and resid 535   and name HH2 ))
   (( segid W   and resid 560   and name HB1 ))
      4.500     4.500     1.500 peak   970 weight  0.10000E+01 volume  0.52184E-03 ppm1      7.129 ppm2      0.872 CV     1
 OR {  970}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 560   and name HB1 ))
 OR {  970}
   (( segid W   and resid 562   and name HN ))
   (( segid W   and resid 560   and name HB1 ))
 ASSI {  972}
   (( segid W   and resid 562   and name HN ))
   (( segid W   and resid 560   and name HB2 ))
      5.200     5.200     0.800 peak   972 weight  0.10000E+01 volume  0.30233E-03 ppm1      7.109 ppm2      0.698 CV     1
 OR {  972}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 560   and name HB2 ))
 ASSI {  976}
   (( segid W   and resid 535   and name HB2 ))
   (( segid W   and resid 560   and name HB1 ))
      5.300     5.300     0.700 peak   976 weight  0.10000E+01 volume  0.64737E-03 ppm1      3.300 ppm2      0.875 CV     1
 OR {  976}
   (( segid W   and resid 532   and name HD1 ))
   (( segid W   and resid 560   and name HB1 ))
 ASSI {  977}
   (( segid W   and resid 532   and name HD1 ))
   (( segid W   and resid 560   and name HB2 ))
      5.400     5.400     0.600 peak   977 weight  0.10000E+01 volume  0.35252E-03 ppm1      3.295 ppm2      0.692 CV     1
 OR {  977}
   (( segid W   and resid 535   and name HB2 ))
   (( segid W   and resid 560   and name HB2 ))
 ASSI {  978}
   (( segid W   and resid 560   and name HD1 ))
   (( segid W   and resid 560   and name HB1 ))
      3.200     2.400     2.400 peak   978 weight  0.10000E+01 volume  0.16301E-02 ppm1      2.876 ppm2      0.877 CV     1
 OR {  978}
   (( segid W   and resid 532   and name HD2 ))
   (( segid W   and resid 560   and name HB1 ))
 ASSI {  980}
   (( segid W   and resid 560   and name HD1 ))
   (( segid W   and resid 560   and name HB2 ))
      4.200     3.900     1.800 peak   980 weight  0.10000E+01 volume  0.99441E-03 ppm1      2.881 ppm2      0.695 CV     1
 OR {  980}
   (( segid W   and resid 532   and name HD2 ))
   (( segid W   and resid 560   and name HB2 ))
 ASSI { 1012}
   (( segid W   and resid 534   and name HN ))
   (( segid W   and resid 560   and name HG2 ))
      4.500     4.500     1.500 peak  1012 weight  0.10000E+01 volume  0.27315E-03 ppm1      8.862 ppm2      0.583 CV     1
 OR { 1012}
   (( segid W   and resid 557   and name HN ))
   (( segid W   and resid 560   and name HG2 ))
 ASSI { 1013}
   ( segid W   and resid 547   and name HE% )
   (( segid W   and resid 560   and name HG2 ))
      4.600     4.600     1.400 peak  1013 weight  0.10000E+01 volume  0.26442E-03 ppm1      7.329 ppm2      0.577 CV     1
 OR { 1013}
   (( segid W   and resid 535   and name HD1 ))
   (( segid W   and resid 560   and name HG2 ))
 ASSI { 1017}
   (( segid W   and resid 535   and name HD1 ))
   (( segid W   and resid 560   and name HG1 ))
      4.200     3.900     1.800 peak  1017 weight  0.10000E+01 volume  0.34276E-03 ppm1      7.272 ppm2      0.184 CV     1
 OR { 1017}
   ( segid W   and resid 547   and name HE% )
   (( segid W   and resid 560   and name HG1 ))
 ASSI { 1024}
   (( segid W   and resid 532   and name HD1 ))
   (( segid W   and resid 560   and name HG2 ))
      3.900     3.400     2.100 peak  1024 weight  0.10000E+01 volume  0.60063E-03 ppm1      3.307 ppm2      0.576 CV     1
 OR { 1024}
   (( segid W   and resid 535   and name HB2 ))
   (( segid W   and resid 560   and name HG2 ))
 ASSI { 1027}
   (( segid W   and resid 561   and name HA ))
   (( segid W   and resid 560   and name HG2 ))
      5.800     5.800     0.200 peak  1027 weight  0.10000E+01 volume  0.33242E-03 ppm1      3.836 ppm2      0.562 CV     1
 OR { 1027}
   (( segid W   and resid 533   and name HD1 ))
   (( segid W   and resid 560   and name HG2 ))
 ASSI { 1031}
   (( segid W   and resid 535   and name HB2 ))
   (( segid W   and resid 560   and name HG1 ))
      3.600     2.900     2.400 peak  1031 weight  0.10000E+01 volume  0.10163E-02 ppm1      3.319 ppm2      0.169 CV     1
 OR { 1031}
   (( segid W   and resid 532   and name HD1 ))
   (( segid W   and resid 560   and name HG1 ))
 ASSI { 1036}
   (( segid W   and resid 561   and name HB1 ))
   (( segid W   and resid 560   and name HG2 ))
      5.100     5.100     0.900 peak  1036 weight  0.10000E+01 volume  0.51552E-03 ppm1      1.730 ppm2      0.567 CV     1
 OR { 1036}
   (( segid W   and resid 561   and name HG1 ))
   (( segid W   and resid 560   and name HG2 ))
 OR { 1036}
   (( segid W   and resid 531   and name HB2 ))
   (( segid W   and resid 560   and name HG2 ))
 ASSI { 1045}
   (( segid W   and resid 553   and name HN ))
   (( segid W   and resid 553   and name HB1 ))
      4.200     3.900     1.800 peak  1045 weight  0.10000E+01 volume  0.55193E-03 ppm1      7.389 ppm2      0.820 CV     1
 OR { 1045}
   (( segid W   and resid 554   and name HN ))
   (( segid W   and resid 553   and name HB1 ))
 ASSI { 1047}
   (( segid P   and resid 232   and name HA ))
   (( segid W   and resid 553   and name HB1 ))
      5.700     5.700     0.300 peak  1047 weight  0.10000E+01 volume  0.26097E-03 ppm1      3.483 ppm2      0.834 CV     1
 OR { 1047}
   (( segid W   and resid 549   and name HA ))
   (( segid W   and resid 553   and name HB1 ))
 ASSI { 1060}
   (( segid W   and resid 558   and name HA ))
   (( segid W   and resid 546   and name HA ))
      4.600     4.600     1.400 peak  1060 weight  0.10000E+01 volume  0.49622E-03 ppm1      3.770 ppm2      5.213 CV     1
 OR { 1060}
   (( segid P   and resid 229   and name HA ))
   (( segid W   and resid 546   and name HA ))
 ASSI { 1061}
   ( segid W   and resid 540   and name HB% )
   (( segid W   and resid 546   and name HA ))
      4.800     4.800     1.200 peak  1061 weight  0.10000E+01 volume  0.65039E-03 ppm1      1.906 ppm2      5.200 CV     1
 OR { 1061}
   (( segid W   and resid 544   and name HB1 ))
   (( segid W   and resid 546   and name HA ))
 ASSI { 1062}
   (( segid W   and resid 544   and name HD1 ))
   (( segid W   and resid 546   and name HA ))
      4.900     4.900     1.100 peak  1062 weight  0.10000E+01 volume  0.45292E-03 ppm1      1.351 ppm2      5.220 CV     1
 OR { 1062}
   ( segid W   and resid 565   and name HB% )
   (( segid W   and resid 546   and name HA ))
 OR { 1062}
   (( segid P   and resid 229   and name HB1 ))
   (( segid W   and resid 546   and name HA ))
 ASSI { 1067}
   (( segid W   and resid 524   and name HA1 ))
   (( segid W   and resid 522   and name HD2 ))
      2.100     2.100     3.900 peak  1067 weight  0.10000E+01 volume  0.58419E-02 ppm1      3.953 ppm2      3.552 CV     1
 OR { 1067}
   (( segid W   and resid 524   and name HA2 ))
   (( segid W   and resid 522   and name HD2 ))
 OR { 1067}
   (( segid W   and resid 525   and name HB2 ))
   (( segid W   and resid 522   and name HD2 ))
 ASSI { 1074}
   (( segid W   and resid 564   and name HB1 ))
   (( segid W   and resid 564   and name HA ))
      3.100     2.200     2.200 peak  1074 weight  0.10000E+01 volume  0.34788E-02 ppm1      1.681 ppm2      4.434 CV     1
 OR { 1074}
   (( segid W   and resid 544   and name HG2 ))
   (( segid W   and resid 544   and name HA ))
 ASSI { 1075}
   (( segid W   and resid 544   and name HB2 ))
   (( segid W   and resid 544   and name HA ))
      2.400     1.400     1.400 peak  1075 weight  0.10000E+01 volume  0.70188E-02 ppm1      1.500 ppm2      4.437 CV     1
 OR { 1075}
   (( segid W   and resid 564   and name HG1 ))
   (( segid W   and resid 564   and name HA ))
 ASSI { 1085}
   (( segid W   and resid 529   and name HN ))
   (( segid W   and resid 528   and name HG2 ))
      3.400     2.700     2.600 peak  1085 weight  0.10000E+01 volume  0.30968E-02 ppm1      8.494 ppm2      2.219 CV     1
 OR { 1085}
   (( segid W   and resid 528   and name HN ))
   (( segid W   and resid 528   and name HG2 ))
 ASSI { 1088}
   (( segid W   and resid 529   and name HA ))
   (( segid W   and resid 528   and name HG2 ))
      4.500     4.500     1.500 peak  1088 weight  0.10000E+01 volume  0.51196E-03 ppm1      4.452 ppm2      2.215 CV     1
 OR { 1088}
   (( segid W   and resid 530   and name HA ))
   (( segid W   and resid 528   and name HG2 ))
 ASSI { 1091}
   (( segid W   and resid 528   and name HB1 ))
   (( segid W   and resid 528   and name HG2 ))
      2.300     1.300     1.300 peak  1091 weight  0.10000E+01 volume  0.21057E-01 ppm1      1.995 ppm2      2.220 CV     1
 OR { 1091}
   (( segid W   and resid 527   and name HB2 ))
   (( segid W   and resid 527   and name HG2 ))
 ASSI { 1092}
   (( segid W   and resid 527   and name HB1 ))
   (( segid W   and resid 527   and name HG2 ))
      1.900     0.900     0.900 peak  1092 weight  0.10000E+01 volume  0.23221E-01 ppm1      1.887 ppm2      2.218 CV     1
 OR { 1092}
   (( segid W   and resid 528   and name HB2 ))
   (( segid W   and resid 528   and name HG2 ))
 ASSI { 1095}
   (( segid W   and resid 529   and name HN ))
   (( segid W   and resid 530   and name HD1 ))
      4.300     4.100     1.700 peak  1095 weight  0.10000E+01 volume  0.92397E-03 ppm1      8.540 ppm2      3.780 CV     1
 OR { 1095}
   (( segid W   and resid 531   and name HN ))
   (( segid W   and resid 530   and name HD1 ))
 ASSI { 1098}
   (( segid W   and resid 529   and name HG1 ))
   (( segid W   and resid 530   and name HD1 ))
      3.000     2.200     2.200 peak  1098 weight  0.10000E+01 volume  0.49109E-02 ppm1      2.269 ppm2      3.783 CV     1
 OR { 1098}
   (( segid W   and resid 530   and name HB1 ))
   (( segid W   and resid 530   and name HD1 ))
 ASSI { 1101}
   (( segid W   and resid 529   and name HG1 ))
   (( segid W   and resid 530   and name HD2 ))
      2.500     1.600     1.600 peak  1101 weight  0.10000E+01 volume  0.53024E-02 ppm1      2.270 ppm2      3.655 CV     1
 OR { 1101}
   (( segid W   and resid 530   and name HB1 ))
   (( segid W   and resid 530   and name HD2 ))
 ASSI { 1103}
   (( segid W   and resid 529   and name HN ))
   (( segid W   and resid 530   and name HD2 ))
      4.300     4.100     1.700 peak  1103 weight  0.10000E+01 volume  0.10046E-02 ppm1      8.529 ppm2      3.652 CV     1
 OR { 1103}
   (( segid W   and resid 531   and name HN ))
   (( segid W   and resid 530   and name HD2 ))
 ASSI { 1108}
   (( segid W   and resid 534   and name HN ))
   (( segid W   and resid 533   and name HB2 ))
      3.900     3.400     2.100 peak  1108 weight  0.10000E+01 volume  0.14555E-02 ppm1      8.947 ppm2      1.918 CV     1
 OR { 1108}
   (( segid W   and resid 545   and name HN ))
   (( segid W   and resid 544   and name HB1 ))
 ASSI { 1117}
   (( segid W   and resid 545   and name HA ))
   (( segid W   and resid 539   and name HB ))
      4.300     4.200     1.700 peak  1117 weight  0.10000E+01 volume  0.80523E-03 ppm1      4.730 ppm2      1.920 CV     1
 OR { 1117}
   (( segid W   and resid 532   and name HA ))
   (( segid W   and resid 533   and name HB2 ))
 OR { 1117}
   (( segid W   and resid 545   and name HA ))
   (( segid W   and resid 544   and name HB1 ))
 ASSI { 1118}
   (( segid W   and resid 544   and name HA ))
   (( segid W   and resid 544   and name HB1 ))
      2.400     1.400     1.400 peak  1118 weight  0.10000E+01 volume  0.10782E-01 ppm1      4.450 ppm2      1.907 CV     1
 OR { 1118}
   (( segid W   and resid 522   and name HA ))
   (( segid W   and resid 522   and name HB2 ))
 OR { 1118}
   (( segid W   and resid 530   and name HA ))
   (( segid W   and resid 530   and name HB2 ))
 OR { 1118}
   (( segid W   and resid 533   and name HA ))
   (( segid W   and resid 533   and name HB2 ))
 ASSI { 1119}
   (( segid W   and resid 531   and name HA ))
   (( segid W   and resid 530   and name HB2 ))
      4.100     3.800     1.900 peak  1119 weight  0.10000E+01 volume  0.48003E-03 ppm1      4.119 ppm2      1.900 CV     1
 OR { 1119}
   (( segid W   and resid 566   and name HB1 ))
   (( segid W   and resid 544   and name HB1 ))
 ASSI { 1120}
   (( segid W   and resid 533   and name HD2 ))
   (( segid W   and resid 533   and name HB2 ))
      2.900     2.000     2.000 peak  1120 weight  0.10000E+01 volume  0.40400E-02 ppm1      3.642 ppm2      1.905 CV     1
 OR { 1120}
   (( segid W   and resid 530   and name HD2 ))
   (( segid W   and resid 530   and name HB2 ))
 ASSI { 1122}
   (( segid W   and resid 534   and name HA ))
   (( segid W   and resid 533   and name HB2 ))
      4.700     4.700     1.300 peak  1122 weight  0.10000E+01 volume  0.56916E-03 ppm1      4.026 ppm2      1.919 CV     1
 OR { 1122}
   (( segid W   and resid 545   and name HB ))
   (( segid W   and resid 539   and name HB ))
 ASSI { 1123}
   (( segid W   and resid 532   and name HD1 ))
   (( segid W   and resid 530   and name HB2 ))
      4.100     3.700     1.900 peak  1123 weight  0.10000E+01 volume  0.30704E-03 ppm1      3.293 ppm2      1.936 CV     1
 OR { 1123}
   (( segid W   and resid 535   and name HB2 ))
   (( segid W   and resid 533   and name HB2 ))
 OR { 1123}
   (( segid W   and resid 532   and name HD1 ))
   (( segid W   and resid 533   and name HB2 ))
 ASSI { 1124}
   (( segid W   and resid 534   and name HD1 ))
   (( segid W   and resid 533   and name HB2 ))
      4.300     4.100     1.700 peak  1124 weight  0.10000E+01 volume  0.61889E-03 ppm1      3.187 ppm2      1.918 CV     1
 OR { 1124}
   (( segid W   and resid 542   and name HB2 ))
   (( segid W   and resid 544   and name HB1 ))
 OR { 1124}
   (( segid W   and resid 546   and name HB1 ))
   (( segid W   and resid 544   and name HB1 ))
 ASSI { 1125}
   (( segid W   and resid 542   and name HB1 ))
   (( segid W   and resid 544   and name HB1 ))
      4.600     4.600     1.400 peak  1125 weight  0.10000E+01 volume  0.38009E-03 ppm1      2.888 ppm2      1.919 CV     1
 OR { 1125}
   (( segid W   and resid 532   and name HD2 ))
   (( segid W   and resid 533   and name HB2 ))
 ASSI { 1136}
   (( segid W   and resid 522   and name HB2 ))
   (( segid W   and resid 522   and name HB1 ))
      1.500     0.600     0.700 peak  1136 weight  0.10000E+01 volume  0.43726E-01 ppm1      1.946 ppm2      2.277 CV     1
 OR { 1136}
   (( segid W   and resid 530   and name HB2 ))
   (( segid W   and resid 530   and name HB1 ))
 OR { 1136}
   (( segid W   and resid 522   and name HG1 ))
   (( segid W   and resid 522   and name HB1 ))
 ASSI { 1139}
   (( segid W   and resid 531   and name HN ))
   (( segid W   and resid 530   and name HG1 ))
      4.200     4.000     1.800 peak  1139 weight  0.10000E+01 volume  0.13415E-02 ppm1      8.551 ppm2      1.975 CV     1
 OR { 1139}
   (( segid W   and resid 529   and name HN ))
   (( segid W   and resid 530   and name HG1 ))
 ASSI { 1140}
   (( segid W   and resid 530   and name HA ))
   (( segid W   and resid 530   and name HG1 ))
      3.200     2.300     2.300 peak  1140 weight  0.10000E+01 volume  0.55238E-02 ppm1      4.454 ppm2      1.971 CV     1
 OR { 1140}
   (( segid W   and resid 529   and name HA ))
   (( segid W   and resid 530   and name HG1 ))
 ASSI { 1144}
   (( segid W   and resid 530   and name HB1 ))
   (( segid W   and resid 530   and name HG1 ))
      1.700     0.800     0.800 peak  1144 weight  0.10000E+01 volume  0.33595E-01 ppm1      2.278 ppm2      1.982 CV     1
 OR { 1144}
   (( segid W   and resid 522   and name HB1 ))
   (( segid W   and resid 522   and name HG1 ))
 ASSI { 1151}
   (( segid W   and resid 560   and name HG1 ))
   (( segid W   and resid 535   and name HH2 ))
      5.000     5.000     1.000 peak  1151 weight  0.10000E+01 volume  0.30761E-03 ppm1      0.178 ppm2      7.126 CV     1
 OR { 1151}
   ( segid W   and resid 548   and name HG2%) 
   (( segid W   and resid 535   and name HH2 ))
 ASSI { 1153}
   (( segid W   and resid 538   and name HE21)) 
   ( segid W   and resid 546   and name HE% )
      4.800     4.800     1.200 peak  1153 weight  0.10000E+01 volume  0.32691E-03 ppm1      7.529 ppm2      6.759 CV     1
 OR { 1153}
   (( segid P   and resid 234   and name HN ))
   ( segid W   and resid 546   and name HE% )
 OR { 1153}
   (( segid W   and resid 542   and name HD22)) 
   ( segid W   and resid 546   and name HE% )
 ASSI { 1155}
   (( segid W   and resid 560   and name HG1 ))
   (( segid W   and resid 535   and name HZ3 ))
      4.800     4.800     1.200 peak  1155 weight  0.10000E+01 volume  0.32990E-03 ppm1      0.166 ppm2      6.846 CV     1
 OR { 1155}
   ( segid W   and resid 548   and name HG2%) 
   (( segid W   and resid 535   and name HZ3 ))
 ASSI { 1176}
   (( segid W   and resid 546   and name HN ))
   (( segid W   and resid 538   and name HA ))
      4.400     4.300     1.600 peak  1176 weight  0.10000E+01 volume  0.60313E-03 ppm1      9.364 ppm2      4.296 CV     1
 OR { 1176}
   (( segid W   and resid 540   and name HN ))
   (( segid W   and resid 538   and name HA ))
 ASSI { 1178}
   (( segid W   and resid 539   and name HB ))
   (( segid W   and resid 538   and name HA ))
      3.500     2.800     2.500 peak  1178 weight  0.10000E+01 volume  0.21503E-02 ppm1      1.878 ppm2      4.321 CV     1
 OR { 1178}
   (( segid W   and resid 537   and name HB2 ))
   (( segid W   and resid 538   and name HA ))
 ASSI { 1186}
   (( segid W   and resid 550   and name HB2 ))
   (( segid W   and resid 551   and name HA ))
      3.900     3.400     2.100 peak  1186 weight  0.10000E+01 volume  0.12316E-02 ppm1      3.130 ppm2      4.151 CV     1
 OR { 1186}
   (( segid W   and resid 534   and name HD1 ))
   (( segid W   and resid 551   and name HA ))
 ASSI { 1196}
   (( segid W   and resid 546   and name HN ))
   (( segid W   and resid 555   and name HB ))
      6.000     6.000     0.000 peak  1196 weight  0.10000E+01 volume  0.40398E-03 ppm1      9.364 ppm2      4.172 CV     1
 OR { 1196}
   (( segid W   and resid 540   and name HN ))
   (( segid W   and resid 555   and name HB ))
 ASSI { 1203}
   (( segid W   and resid 556   and name HA ))
   (( segid W   and resid 555   and name HB ))
      4.600     4.600     1.400 peak  1203 weight  0.10000E+01 volume  0.45051E-03 ppm1      4.660 ppm2      4.187 CV     1
 OR { 1203}
   (( segid W   and resid 545   and name HA ))
   (( segid W   and resid 555   and name HB ))
 ASSI { 1204}
   (( segid W   and resid 556   and name HB ))
   (( segid W   and resid 555   and name HB ))
      5.000     5.000     1.000 peak  1204 weight  0.10000E+01 volume  0.42053E-03 ppm1      4.434 ppm2      4.184 CV     1
 OR { 1204}
   (( segid W   and resid 539   and name HA ))
   (( segid W   and resid 555   and name HB ))
 ASSI { 1211}
   ( segid W   and resid 556   and name HG2%) 
   (( segid W   and resid 555   and name HB ))
      4.400     4.200     1.600 peak  1211 weight  0.10000E+01 volume  0.98395E-03 ppm1      1.636 ppm2      4.178 CV     1
 OR { 1211}
   (( segid W   and resid 554   and name HB2 ))
   (( segid W   and resid 555   and name HB ))
 ASSI { 1212}
   ( segid P   and resid 235   and name HB% )
   (( segid W   and resid 555   and name HB ))
      3.800     3.200     2.200 peak  1212 weight  0.10000E+01 volume  0.74251E-03 ppm1      1.295 ppm2      4.173 CV     1
 OR { 1212}
   (( segid W   and resid 538   and name HB1 ))
   (( segid W   and resid 555   and name HB ))
 ASSI { 1252}
   (( segid W   and resid 548   and name HN ))
   (( segid W   and resid 548   and name HA ))
      2.800     1.800     1.800 peak  1252 weight  0.10000E+01 volume  0.25537E-02 ppm1      9.162 ppm2      4.228 CV     1
 OR { 1252}
   (( segid W   and resid 556   and name HN ))
   (( segid W   and resid 548   and name HA ))
 ASSI { 1262}
   (( segid W   and resid 554   and name HA ))
   (( segid W   and resid 548   and name HA ))
      4.900     4.900     1.100 peak  1262 weight  0.10000E+01 volume  0.34747E-03 ppm1      4.961 ppm2      4.234 CV     1
 OR { 1262}
   (( segid W   and resid 536   and name HA ))
   (( segid W   and resid 548   and name HA ))
 ASSI { 1263}
   (( segid W   and resid 549   and name HA ))
   (( segid W   and resid 548   and name HA ))
      4.300     4.100     1.700 peak  1263 weight  0.10000E+01 volume  0.61935E-03 ppm1      3.480 ppm2      4.231 CV     1
 OR { 1263}
   (( segid P   and resid 232   and name HA ))
   (( segid W   and resid 548   and name HA ))
 ASSI { 1264}
   (( segid W   and resid 547   and name HB1 ))
   (( segid W   and resid 548   and name HA ))
      4.700     4.700     1.300 peak  1264 weight  0.10000E+01 volume  0.48864E-03 ppm1      3.143 ppm2      4.229 CV     1
 OR { 1264}
   (( segid W   and resid 546   and name HB1 ))
   (( segid W   and resid 548   and name HA ))
 ASSI { 1265}
   (( segid W   and resid 547   and name HB2 ))
   (( segid W   and resid 548   and name HA ))
      4.200     3.900     1.800 peak  1265 weight  0.10000E+01 volume  0.34839E-03 ppm1      3.358 ppm2      4.223 CV     1
 OR { 1265}
   (( segid W   and resid 535   and name HB2 ))
   (( segid W   and resid 548   and name HA ))
 ASSI { 1267}
   ( segid W   and resid 556   and name HG2%) 
   (( segid W   and resid 548   and name HA ))
      4.300     4.200     1.700 peak  1267 weight  0.10000E+01 volume  0.68689E-03 ppm1      1.642 ppm2      4.229 CV     1
 OR { 1267}
   (( segid W   and resid 554   and name HB2 ))
   (( segid W   and resid 548   and name HA ))
 ASSI { 1269}
   (( segid W   and resid 538   and name HB1 ))
   (( segid W   and resid 548   and name HA ))
      4.500     4.500     1.500 peak  1269 weight  0.10000E+01 volume  0.43994E-03 ppm1      1.288 ppm2      4.225 CV     1
 OR { 1269}
   (( segid P   and resid 230   and name HD1 ))
   (( segid W   and resid 548   and name HA ))
 ASSI { 1274}
   (( segid W   and resid 548   and name HG12)) 
   (( segid W   and resid 548   and name HA ))
      2.800     1.800     1.800 peak  1274 weight  0.10000E+01 volume  0.27884E-02 ppm1      0.598 ppm2      4.226 CV     1
 OR { 1274}
   (( segid W   and resid 549   and name HB2 ))
   (( segid W   and resid 548   and name HA ))
 ASSI { 1282}
   (( segid W   and resid 564   and name HB2 ))
   (( segid W   and resid 566   and name HA ))
      4.600     4.600     1.400 peak  1282 weight  0.10000E+01 volume  0.31221E-03 ppm1      1.769 ppm2      4.274 CV     1
 OR { 1282}
   (( segid W   and resid 561   and name HG1 ))
   (( segid W   and resid 566   and name HA ))
 ASSI { 1287}
   (( segid W   and resid 553   and name HN ))
   (( segid W   and resid 550   and name HA ))
      3.100     2.200     2.200 peak  1287 weight  0.10000E+01 volume  0.18097E-02 ppm1      7.376 ppm2      4.199 CV     1
 OR { 1287}
   (( segid W   and resid 554   and name HN ))
   (( segid W   and resid 550   and name HA ))
 ASSI { 1296}
   (( segid W   and resid 549   and name HB1 ))
   (( segid W   and resid 550   and name HA ))
      4.700     4.700     1.300 peak  1296 weight  0.10000E+01 volume  0.60453E-03 ppm1      2.029 ppm2      4.200 CV     1
 OR { 1296}
   (( segid W   and resid 534   and name HB2 ))
   (( segid W   and resid 550   and name HA ))
 ASSI { 1299}
   (( segid W   and resid 553   and name HB2 ))
   (( segid W   and resid 550   and name HA ))
      4.700     4.700     1.300 peak  1299 weight  0.10000E+01 volume  0.52356E-03 ppm1      1.634 ppm2      4.202 CV     1
 OR { 1299}
   (( segid W   and resid 534   and name HG1 ))
   (( segid W   and resid 550   and name HA ))
 ASSI { 1300}
   ( segid W   and resid 551   and name HB% )
   (( segid W   and resid 550   and name HA ))
      4.600     4.600     1.400 peak  1300 weight  0.10000E+01 volume  0.76617E-03 ppm1      1.414 ppm2      4.199 CV     1
 OR { 1300}
   (( segid W   and resid 548   and name HB ))
   (( segid W   and resid 550   and name HA ))
 ASSI { 1318}
   (( segid W   and resid 556   and name HB ))
   (( segid W   and resid 557   and name HB1 ))
      5.500     5.500     0.500 peak  1318 weight  0.10000E+01 volume  0.35218E-03 ppm1      4.438 ppm2      3.876 CV     1
 OR { 1318}
   (( segid W   and resid 564   and name HA ))
   (( segid W   and resid 557   and name HB1 ))
 OR { 1318}
   (( segid W   and resid 544   and name HA ))
   (( segid W   and resid 557   and name HB1 ))
 ASSI { 1337}
   (( segid W   and resid 557   and name HH2 ))
   (( segid W   and resid 541   and name HD2 ))
      4.800     4.800     1.200 peak  1337 weight  0.10000E+01 volume  0.10439E-02 ppm1      7.010 ppm2      3.889 CV     1
 OR { 1337}
   ( segid W   and resid 546   and name HD% )
   (( segid W   and resid 541   and name HD2 ))
 ASSI { 1347}
   ( segid W   and resid 540   and name HB% )
   (( segid W   and resid 541   and name HD2 ))
      2.700     1.700     1.700 peak  1347 weight  0.10000E+01 volume  0.13619E-01 ppm1      1.894 ppm2      3.887 CV     1
 OR { 1347}
   (( segid W   and resid 541   and name HB2 ))
   (( segid W   and resid 541   and name HD2 ))
 OR { 1347}
   (( segid W   and resid 533   and name HB2 ))
   (( segid W   and resid 533   and name HD1 ))
 ASSI { 1348}
   (( segid W   and resid 533   and name HG1 ))
   (( segid W   and resid 533   and name HD1 ))
      2.000     1.000     1.000 peak  1348 weight  0.10000E+01 volume  0.11287E-01 ppm1      2.130 ppm2      3.879 CV     1
 OR { 1348}
   (( segid W   and resid 541   and name HG1 ))
   (( segid W   and resid 541   and name HD2 ))
 ASSI { 1349}
   (( segid W   and resid 532   and name HB1 ))
   (( segid W   and resid 533   and name HD1 ))
      2.700     1.800     1.800 peak  1349 weight  0.10000E+01 volume  0.58169E-02 ppm1      2.436 ppm2      3.875 CV     1
 OR { 1349}
   (( segid W   and resid 533   and name HB1 ))
   (( segid W   and resid 533   and name HD1 ))
 OR { 1349}
   (( segid W   and resid 541   and name HB1 ))
   (( segid W   and resid 541   and name HD2 ))
 ASSI { 1350}
   (( segid W   and resid 542   and name HB1 ))
   (( segid W   and resid 541   and name HD2 ))
      5.600     5.600     0.400 peak  1350 weight  0.10000E+01 volume  0.32473E-03 ppm1      2.884 ppm2      3.871 CV     1
 OR { 1350}
   (( segid W   and resid 532   and name HD2 ))
   (( segid W   and resid 533   and name HD1 ))
 ASSI { 1353}
   (( segid P   and resid 230   and name HA ))
   (( segid W   and resid 541   and name HD2 ))
      4.800     4.800     1.200 peak  1353 weight  0.10000E+01 volume  0.50311E-03 ppm1      4.160 ppm2      3.889 CV     1
 OR { 1353}
   (( segid W   and resid 531   and name HA ))
   (( segid W   and resid 533   and name HD1 ))
 OR { 1353}
   (( segid W   and resid 555   and name HB ))
   (( segid W   and resid 541   and name HD2 ))
 ASSI { 1355}
   (( segid W   and resid 532   and name HA ))
   (( segid W   and resid 533   and name HD1 ))
      1.900     0.900     0.900 peak  1355 weight  0.10000E+01 volume  0.16363E-01 ppm1      4.734 ppm2      3.878 CV     1
 OR { 1355}
   (( segid W   and resid 540   and name HA ))
   (( segid W   and resid 541   and name HD2 ))
 ASSI { 1368}
   (( segid W   and resid 561   and name HA ))
   (( segid W   and resid 531   and name HA ))
      5.400     5.400     0.600 peak  1368 weight  0.10000E+01 volume  0.35333E-03 ppm1      3.839 ppm2      4.127 CV     1
 OR { 1368}
   (( segid W   and resid 533   and name HD1 ))
   (( segid W   and resid 531   and name HA ))
 ASSI { 1371}
   (( segid W   and resid 530   and name HB1 ))
   (( segid W   and resid 531   and name HA ))
      4.900     4.900     1.100 peak  1371 weight  0.10000E+01 volume  0.42535E-03 ppm1      2.260 ppm2      4.129 CV     1
 OR { 1371}
   (( segid W   and resid 537   and name HG2 ))
   (( segid W   and resid 531   and name HA ))
 ASSI { 1394}
   (( segid W   and resid 532   and name HB1 ))
   (( segid W   and resid 533   and name HD2 ))
      2.200     1.100     1.100 peak  1394 weight  0.10000E+01 volume  0.47528E-02 ppm1      2.443 ppm2      3.624 CV     1
 OR { 1394}
   (( segid W   and resid 533   and name HB1 ))
   (( segid W   and resid 533   and name HD2 ))
 ASSI { 1402}
   ( segid W   and resid 551   and name HB% )
   (( segid W   and resid 549   and name HA ))
      4.400     4.300     1.600 peak  1402 weight  0.10000E+01 volume  0.67096E-03 ppm1      1.420 ppm2      3.472 CV     1
 OR { 1402}
   (( segid W   and resid 548   and name HB ))
   (( segid W   and resid 549   and name HA ))
 ASSI { 1403}
   ( segid W   and resid 556   and name HG2%) 
   (( segid W   and resid 549   and name HA ))
      5.200     5.200     0.800 peak  1403 weight  0.10000E+01 volume  0.44189E-03 ppm1      1.636 ppm2      3.481 CV     1
 OR { 1403}
   (( segid W   and resid 554   and name HB2 ))
   (( segid W   and resid 549   and name HA ))
 OR { 1403}
   (( segid W   and resid 534   and name HG1 ))
   (( segid W   and resid 549   and name HA ))
 ASSI { 1407}
   (( segid W   and resid 550   and name HA ))
   (( segid W   and resid 549   and name HA ))
      4.000     3.500     2.000 peak  1407 weight  0.10000E+01 volume  0.11373E-02 ppm1      4.214 ppm2      3.474 CV     1
 OR { 1407}
   (( segid W   and resid 548   and name HA ))
   (( segid W   and resid 549   and name HA ))
 ASSI { 1413}
   (( segid W   and resid 549   and name HN ))
   (( segid W   and resid 549   and name HA ))
      3.000     2.100     2.100 peak  1413 weight  0.10000E+01 volume  0.23505E-02 ppm1      8.288 ppm2      3.479 CV     1
 OR { 1413}
   (( segid W   and resid 551   and name HN ))
   (( segid W   and resid 549   and name HA ))
 ASSI { 1415}
   (( segid W   and resid 554   and name HN ))
   (( segid W   and resid 549   and name HA ))
      4.200     4.000     1.800 peak  1415 weight  0.10000E+01 volume  0.69369E-03 ppm1      7.410 ppm2      3.477 CV     1
 OR { 1415}
   (( segid W   and resid 535   and name HZ2 ))
   (( segid W   and resid 549   and name HA ))
 ASSI { 1418}
   (( segid W   and resid 535   and name HH2 ))
   (( segid W   and resid 549   and name HA ))
      5.100     5.100     0.900 peak  1418 weight  0.10000E+01 volume  0.29475E-03 ppm1      7.128 ppm2      3.484 CV     1
 OR { 1418}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 549   and name HA ))
 ASSI { 1437}
   (( segid W   and resid 561   and name HA ))
   (( segid W   and resid 532   and name HD1 ))
      3.900     3.500     2.100 peak  1437 weight  0.10000E+01 volume  0.68381E-03 ppm1      3.863 ppm2      3.307 CV     1
 OR { 1437}
   (( segid W   and resid 533   and name HD1 ))
   (( segid W   and resid 532   and name HD1 ))
 ASSI { 1442}
   (( segid W   and resid 532   and name HG1 ))
   (( segid W   and resid 532   and name HD1 ))
      2.300     1.300     1.300 peak  1442 weight  0.10000E+01 volume  0.34260E-02 ppm1      1.693 ppm2      3.298 CV     1
 OR { 1442}
   (( segid W   and resid 561   and name HB1 ))
   (( segid W   and resid 532   and name HD1 ))
 ASSI { 1445}
   ( segid W   and resid 531   and name HD2%) 
   (( segid W   and resid 532   and name HD1 ))
      3.800     3.300     2.200 peak  1445 weight  0.10000E+01 volume  0.35926E-02 ppm1      0.865 ppm2      3.298 CV     1
 OR { 1445}
   (( segid W   and resid 560   and name HB1 ))
   (( segid W   and resid 532   and name HD1 ))
 ASSI { 1453}
   (( segid W   and resid 550   and name HN ))
   (( segid W   and resid 535   and name HB2 ))
      5.100     5.100     0.900 peak  1453 weight  0.10000E+01 volume  0.29877E-03 ppm1      8.518 ppm2      3.325 CV     1
 OR { 1453}
   (( segid W   and resid 531   and name HN ))
   (( segid W   and resid 535   and name HB2 ))
 OR { 1453}
   (( segid W   and resid 561   and name HN ))
   (( segid W   and resid 535   and name HB2 ))
 ASSI { 1454}
   (( segid W   and resid 550   and name HN ))
   (( segid W   and resid 535   and name HB1 ))
      5.100     5.100     0.900 peak  1454 weight  0.10000E+01 volume  0.27292E-03 ppm1      8.557 ppm2      3.227 CV     1
 OR { 1454}
   (( segid W   and resid 531   and name HN ))
   (( segid W   and resid 535   and name HB1 ))
 ASSI { 1473}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 560   and name HD1 ))
      3.400     2.700     2.600 peak  1473 weight  0.10000E+01 volume  0.14228E-02 ppm1      7.096 ppm2      2.879 CV     1
 OR { 1473}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 532   and name HD2 ))
 ASSI { 1475}
   (( segid W   and resid 535   and name HZ2 ))
   (( segid W   and resid 560   and name HD1 ))
      4.500     4.400     1.500 peak  1475 weight  0.10000E+01 volume  0.34138E-03 ppm1      7.438 ppm2      2.877 CV     1
 OR { 1475}
   (( segid W   and resid 535   and name HZ2 ))
   (( segid W   and resid 532   and name HD2 ))
 ASSI { 1476}
   ( segid W   and resid 547   and name HE% )
   (( segid W   and resid 532   and name HD2 ))
      3.000     2.000     2.000 peak  1476 weight  0.10000E+01 volume  0.14657E-02 ppm1      7.305 ppm2      2.869 CV     1
 OR { 1476}
   ( segid W   and resid 547   and name HE% )
   (( segid W   and resid 560   and name HD1 ))
 ASSI { 1477}
   (( segid W   and resid 559   and name HN ))
   (( segid W   and resid 560   and name HD1 ))
      4.400     4.400     1.600 peak  1477 weight  0.10000E+01 volume  0.63359E-03 ppm1      7.940 ppm2      2.887 CV     1
 OR { 1477}
   (( segid W   and resid 535   and name HN ))
   (( segid W   and resid 532   and name HD2 ))
 ASSI { 1478}
   (( segid W   and resid 547   and name HN ))
   (( segid W   and resid 560   and name HD1 ))
      5.200     5.200     0.800 peak  1478 weight  0.10000E+01 volume  0.31749E-03 ppm1      9.154 ppm2      2.885 CV     1
 OR { 1478}
   (( segid W   and resid 548   and name HN ))
   (( segid W   and resid 560   and name HD1 ))
 OR { 1478}
   (( segid W   and resid 556   and name HN ))
   (( segid W   and resid 560   and name HD1 ))
 ASSI { 1479}
   (( segid W   and resid 561   and name HE ))
   (( segid W   and resid 532   and name HD2 ))
      4.500     4.400     1.500 peak  1479 weight  0.10000E+01 volume  0.58366E-03 ppm1      8.852 ppm2      2.880 CV     1
 OR { 1479}
   (( segid W   and resid 561   and name HE ))
   (( segid W   and resid 560   and name HD1 ))
 ASSI { 1480}
   (( segid W   and resid 561   and name HN ))
   (( segid W   and resid 532   and name HD2 ))
      3.600     2.900     2.400 peak  1480 weight  0.10000E+01 volume  0.12987E-02 ppm1      8.485 ppm2      2.879 CV     1
 OR { 1480}
   (( segid W   and resid 561   and name HN ))
   (( segid W   and resid 560   and name HD1 ))
 ASSI { 1481}
   (( segid W   and resid 559   and name HB2 ))
   (( segid W   and resid 560   and name HD1 ))
      4.800     4.800     1.200 peak  1481 weight  0.10000E+01 volume  0.72548E-03 ppm1      2.121 ppm2      2.882 CV     1
 OR { 1481}
   (( segid W   and resid 559   and name HB2 ))
   (( segid W   and resid 532   and name HD2 ))
 OR { 1481}
   (( segid W   and resid 537   and name HG1 ))
   (( segid W   and resid 532   and name HD2 ))
 ASSI { 1482}
   (( segid W   and resid 532   and name HB2 ))
   (( segid W   and resid 532   and name HD2 ))
      3.000     2.100     2.100 peak  1482 weight  0.10000E+01 volume  0.15903E-02 ppm1      1.945 ppm2      2.870 CV     1
 OR { 1482}
   (( segid W   and resid 532   and name HB2 ))
   (( segid W   and resid 560   and name HD1 ))
 ASSI { 1483}
   (( segid W   and resid 532   and name HG1 ))
   (( segid W   and resid 532   and name HD2 ))
      3.000     2.100     2.100 peak  1483 weight  0.10000E+01 volume  0.34508E-02 ppm1      1.692 ppm2      2.871 CV     1
 OR { 1483}
   (( segid W   and resid 561   and name HB1 ))
   (( segid W   and resid 532   and name HD2 ))
 ASSI { 1484}
   (( segid W   and resid 532   and name HG2 ))
   (( segid W   and resid 532   and name HD2 ))
      2.400     1.400     1.400 peak  1484 weight  0.10000E+01 volume  0.30882E-02 ppm1      1.385 ppm2      2.870 CV     1
 OR { 1484}
   (( segid W   and resid 532   and name HG2 ))
   (( segid W   and resid 560   and name HD1 ))
 ASSI { 1486}
   (( segid W   and resid 560   and name HB1 ))
   (( segid W   and resid 560   and name HD1 ))
      2.700     1.700     1.700 peak  1486 weight  0.10000E+01 volume  0.56569E-02 ppm1      0.865 ppm2      2.873 CV     1
 OR { 1486}
   ( segid W   and resid 531   and name HD2%) 
   (( segid W   and resid 532   and name HD2 ))
 OR { 1486}
   (( segid W   and resid 560   and name HB1 ))
   (( segid W   and resid 532   and name HD2 ))
 ASSI { 1487}
   (( segid W   and resid 560   and name HG2 ))
   (( segid W   and resid 532   and name HD2 ))
      2.500     1.500     1.500 peak  1487 weight  0.10000E+01 volume  0.28460E-02 ppm1      0.581 ppm2      2.875 CV     1
 OR { 1487}
   (( segid W   and resid 560   and name HG2 ))
   (( segid W   and resid 560   and name HD1 ))
 ASSI { 1488}
   (( segid W   and resid 560   and name HG1 ))
   (( segid W   and resid 560   and name HD1 ))
      2.400     1.400     1.400 peak  1488 weight  0.10000E+01 volume  0.30728E-02 ppm1      0.173 ppm2      2.877 CV     1
 OR { 1488}
   (( segid W   and resid 560   and name HG1 ))
   (( segid W   and resid 532   and name HD2 ))
 ASSI { 1491}
   (( segid W   and resid 532   and name HD1 ))
   (( segid W   and resid 532   and name HD2 ))
      1.600     0.700     0.700 peak  1491 weight  0.10000E+01 volume  0.12307E-01 ppm1      3.304 ppm2      2.871 CV     1
 OR { 1491}
   (( segid W   and resid 535   and name HB2 ))
   (( segid W   and resid 532   and name HD2 ))
 ASSI { 1495}
   (( segid W   and resid 547   and name HA ))
   (( segid W   and resid 560   and name HD1 ))
      5.300     5.300     0.700 peak  1495 weight  0.10000E+01 volume  0.27683E-03 ppm1      5.127 ppm2      2.887 CV     1
 OR { 1495}
   (( segid W   and resid 547   and name HA ))
   (( segid W   and resid 532   and name HD2 ))
 OR { 1495}
   (( segid W   and resid 537   and name HA ))
   (( segid W   and resid 532   and name HD2 ))
 ASSI { 1509}
   (( segid W   and resid 563   and name HA2 ))
   (( segid W   and resid 562   and name HB1 ))
      5.000     5.000     1.000 peak  1509 weight  0.10000E+01 volume  0.31072E-03 ppm1      3.861 ppm2      2.811 CV     1
 OR { 1509}
   (( segid W   and resid 561   and name HA ))
   (( segid W   and resid 562   and name HB1 ))
 ASSI { 1524}
   (( segid W   and resid 533   and name HD1 ))
   (( segid W   and resid 533   and name HB1 ))
      3.000     2.100     2.100 peak  1524 weight  0.10000E+01 volume  0.33913E-02 ppm1      3.882 ppm2      2.422 CV     1
 OR { 1524}
   (( segid W   and resid 541   and name HD2 ))
   (( segid W   and resid 541   and name HB1 ))
 ASSI { 1541}
   (( segid W   and resid 564   and name HB2 ))
   (( segid W   and resid 562   and name HB2 ))
      4.900     4.900     1.100 peak  1541 weight  0.10000E+01 volume  0.29544E-03 ppm1      1.751 ppm2      2.677 CV     1
 OR { 1541}
   (( segid W   and resid 561   and name HG1 ))
   (( segid W   and resid 562   and name HB2 ))
 ASSI { 1542}
   (( segid W   and resid 561   and name HG1 ))
   (( segid W   and resid 562   and name HB2 ))
      4.300     4.000     1.700 peak  1542 weight  0.10000E+01 volume  0.26867E-03 ppm1      1.699 ppm2      2.677 CV     1
 OR { 1542}
   (( segid W   and resid 564   and name HB1 ))
   (( segid W   and resid 562   and name HB2 ))
 ASSI { 1544}
   (( segid W   and resid 564   and name HD2 ))
   (( segid W   and resid 562   and name HB2 ))
      4.600     4.600     1.400 peak  1544 weight  0.10000E+01 volume  0.33725E-03 ppm1      3.113 ppm2      2.672 CV     1
 OR { 1544}
   (( segid W   and resid 559   and name HB1 ))
   (( segid W   and resid 562   and name HB2 ))
 ASSI { 1545}
   (( segid W   and resid 563   and name HA2 ))
   (( segid W   and resid 562   and name HB2 ))
      4.700     4.700     1.300 peak  1545 weight  0.10000E+01 volume  0.38595E-03 ppm1      3.862 ppm2      2.667 CV     1
 OR { 1545}
   (( segid W   and resid 561   and name HA ))
   (( segid W   and resid 562   and name HB2 ))
 ASSI { 1565}
   (( segid W   and resid 538   and name HB1 ))
   (( segid W   and resid 546   and name HB2 ))
      5.500     5.500     0.500 peak  1565 weight  0.10000E+01 volume  0.26649E-03 ppm1      1.335 ppm2      2.592 CV     1
 OR { 1565}
   (( segid P   and resid 229   and name HB1 ))
   (( segid W   and resid 546   and name HB2 ))
 ASSI { 1569}
   ( segid W   and resid 556   and name HG2%) 
   (( segid W   and resid 546   and name HB2 ))
      4.600     4.600     1.400 peak  1569 weight  0.10000E+01 volume  0.54275E-03 ppm1      1.638 ppm2      2.562 CV     1
 OR { 1569}
   (( segid W   and resid 544   and name HG2 ))
   (( segid W   and resid 546   and name HB2 ))
 ASSI { 1571}
   (( segid P   and resid 230   and name HD2 ))
   (( segid W   and resid 546   and name HB2 ))
      3.400     2.600     2.600 peak  1571 weight  0.10000E+01 volume  0.19068E-02 ppm1      2.146 ppm2      2.577 CV     1
 OR { 1571}
   (( segid W   and resid 537   and name HG1 ))
   (( segid W   and resid 546   and name HB2 ))
 ASSI { 1572}
   (( segid W   and resid 544   and name HG1 ))
   (( segid W   and resid 546   and name HB2 ))
      5.700     5.700     0.300 peak  1572 weight  0.10000E+01 volume  0.36447E-03 ppm1      1.473 ppm2      2.564 CV     1
 OR { 1572}
   (( segid P   and resid 230   and name HG2 ))
   (( segid W   and resid 546   and name HB2 ))
 OR { 1572}
   (( segid W   and resid 544   and name HB2 ))
   (( segid W   and resid 546   and name HB2 ))
 ASSI { 1576}
   (( segid W   and resid 557   and name HB1 ))
   (( segid W   and resid 546   and name HB2 ))
      5.300     5.300     0.700 peak  1576 weight  0.10000E+01 volume  0.40169E-03 ppm1      3.849 ppm2      2.575 CV     1
 OR { 1576}
   (( segid W   and resid 541   and name HD2 ))
   (( segid W   and resid 546   and name HB2 ))
 ASSI { 1577}
   (( segid W   and resid 556   and name HB ))
   (( segid W   and resid 546   and name HB2 ))
      5.800     5.800     0.200 peak  1577 weight  0.10000E+01 volume  0.18735E-03 ppm1      4.466 ppm2      2.573 CV     1
 OR { 1577}
   (( segid W   and resid 539   and name HA ))
   (( segid W   and resid 546   and name HB2 ))
 ASSI { 1586}
   (( segid W   and resid 547   and name HN ))
   (( segid W   and resid 546   and name HB2 ))
      2.400     1.400     1.400 peak  1586 weight  0.10000E+01 volume  0.33729E-02 ppm1      9.122 ppm2      2.573 CV     1
 OR { 1586}
   (( segid W   and resid 556   and name HN ))
   (( segid W   and resid 546   and name HB2 ))
 ASSI { 1606}
   (( segid W   and resid 557   and name HB2 ))
   (( segid W   and resid 544   and name HD2 ))
      4.500     4.500     1.500 peak  1606 weight  0.10000E+01 volume  0.59320E-03 ppm1      3.141 ppm2      2.478 CV     1
 OR { 1606}
   (( segid W   and resid 546   and name HB1 ))
   (( segid W   and resid 544   and name HD2 ))
 ASSI { 1617}
   (( segid W   and resid 547   and name HN ))
   (( segid W   and resid 560   and name HD2 ))
      5.100     5.100     0.900 peak  1617 weight  0.10000E+01 volume  0.37952E-03 ppm1      9.130 ppm2      2.686 CV     1
 OR { 1617}
   (( segid W   and resid 548   and name HN ))
   (( segid W   and resid 560   and name HD2 ))
 ASSI { 1623}
   (( segid W   and resid 547   and name HA ))
   (( segid W   and resid 560   and name HD2 ))
      5.000     5.000     1.000 peak  1623 weight  0.10000E+01 volume  0.30049E-03 ppm1      5.123 ppm2      2.681 CV     1
 OR { 1623}
   (( segid W   and resid 537   and name HA ))
   (( segid W   and resid 560   and name HD2 ))
 ASSI { 1626}
   (( segid W   and resid 547   and name HB2 ))
   (( segid W   and resid 560   and name HD2 ))
      3.700     3.000     2.300 peak  1626 weight  0.10000E+01 volume  0.95663E-03 ppm1      3.344 ppm2      2.703 CV     1
 OR { 1626}
   (( segid W   and resid 532   and name HD1 ))
   (( segid W   and resid 560   and name HD2 ))
 OR { 1626}
   (( segid W   and resid 535   and name HB2 ))
   (( segid W   and resid 560   and name HD2 ))
 ASSI { 1630}
   ( segid W   and resid 556   and name HG2%) 
   (( segid W   and resid 560   and name HD2 ))
      4.900     4.900     1.100 peak  1630 weight  0.10000E+01 volume  0.62051E-03 ppm1      1.643 ppm2      2.699 CV     1
 OR { 1630}
   (( segid W   and resid 532   and name HG1 ))
   (( segid W   and resid 560   and name HD2 ))
 ASSI { 1655}
   (( segid W   and resid 532   and name HD1 ))
   (( segid W   and resid 532   and name HB1 ))
      4.100     3.900     1.900 peak  1655 weight  0.10000E+01 volume  0.11177E-02 ppm1      3.303 ppm2      2.451 CV     1
 OR { 1655}
   (( segid W   and resid 535   and name HB2 ))
   (( segid W   and resid 532   and name HB1 ))
 ASSI { 1672}
   (( segid W   and resid 537   and name HA ))
   (( segid W   and resid 537   and name HG1 ))
      2.800     1.800     1.800 peak  1672 weight  0.10000E+01 volume  0.14549E-02 ppm1      5.108 ppm2      2.162 CV     1
 OR { 1672}
   (( segid W   and resid 547   and name HA ))
   (( segid W   and resid 537   and name HG1 ))
 ASSI { 1676}
   (( segid W   and resid 545   and name HB ))
   (( segid W   and resid 537   and name HG2 ))
      4.700     4.700     1.300 peak  1676 weight  0.10000E+01 volume  0.50013E-03 ppm1      4.044 ppm2      2.281 CV     1
 OR { 1676}
   (( segid W   and resid 536   and name HB2 ))
   (( segid W   and resid 537   and name HG2 ))
 ASSI { 1677}
   (( segid W   and resid 545   and name HB ))
   (( segid W   and resid 537   and name HG1 ))
      4.100     3.700     1.900 peak  1677 weight  0.10000E+01 volume  0.39043E-03 ppm1      4.032 ppm2      2.163 CV     1
 OR { 1677}
   (( segid W   and resid 536   and name HB2 ))
   (( segid W   and resid 537   and name HG1 ))
 ASSI { 1701}
   (( segid W   and resid 532   and name HA ))
   (( segid W   and resid 533   and name HG1 ))
      4.200     3.900     1.800 peak  1701 weight  0.10000E+01 volume  0.18334E-02 ppm1      4.737 ppm2      2.153 CV     1
 OR { 1701}
   (( segid W   and resid 540   and name HA ))
   (( segid W   and resid 541   and name HG1 ))
 ASSI { 1702}
   (( segid W   and resid 540   and name HA ))
   (( segid W   and resid 541   and name HG2 ))
      4.500     4.500     1.500 peak  1702 weight  0.10000E+01 volume  0.15133E-02 ppm1      4.736 ppm2      2.069 CV     1
 OR { 1702}
   (( segid W   and resid 532   and name HA ))
   (( segid W   and resid 533   and name HG2 ))
 ASSI { 1708}
   (( segid W   and resid 541   and name HD2 ))
   (( segid W   and resid 541   and name HG2 ))
      2.600     1.700     1.700 peak  1708 weight  0.10000E+01 volume  0.74577E-02 ppm1      3.881 ppm2      2.069 CV     1
 OR { 1708}
   (( segid W   and resid 533   and name HD1 ))
   (( segid W   and resid 533   and name HG2 ))
 ASSI { 1712}
   (( segid W   and resid 533   and name HB1 ))
   (( segid W   and resid 533   and name HG1 ))
      2.100     1.100     1.100 peak  1712 weight  0.10000E+01 volume  0.11439E-01 ppm1      2.420 ppm2      2.150 CV     1
 OR { 1712}
   (( segid W   and resid 541   and name HB1 ))
   (( segid W   and resid 541   and name HG1 ))
 ASSI { 1713}
   (( segid W   and resid 533   and name HB1 ))
   (( segid W   and resid 533   and name HG2 ))
      2.600     1.600     1.600 peak  1713 weight  0.10000E+01 volume  0.98796E-02 ppm1      2.419 ppm2      2.075 CV     1
 OR { 1713}
   (( segid W   and resid 541   and name HB1 ))
   (( segid W   and resid 541   and name HG2 ))
 ASSI { 1716}
   (( segid P   and resid 230   and name HG2 ))
   (( segid W   and resid 541   and name HG2 ))
      4.300     4.100     1.700 peak  1716 weight  0.10000E+01 volume  0.46027E-03 ppm1      1.492 ppm2      2.039 CV     1
 OR { 1716}
   (( segid W   and resid 534   and name HG2 ))
   (( segid W   and resid 533   and name HG2 ))
 ASSI { 1717}
   (( segid W   and resid 534   and name HG1 ))
   (( segid W   and resid 533   and name HG2 ))
      5.200     5.200     0.800 peak  1717 weight  0.10000E+01 volume  0.58054E-03 ppm1      1.633 ppm2      2.056 CV     1
 OR { 1717}
   (( segid W   and resid 532   and name HG1 ))
   (( segid W   and resid 533   and name HG2 ))
 ASSI { 1719}
   (( segid W   and resid 541   and name HB2 ))
   (( segid W   and resid 541   and name HG1 ))
      2.500     1.600     1.600 peak  1719 weight  0.10000E+01 volume  0.10985E-01 ppm1      1.912 ppm2      2.152 CV     1
 OR { 1719}
   (( segid W   and resid 533   and name HB2 ))
   (( segid W   and resid 533   and name HG1 ))
 ASSI { 1720}
   (( segid W   and resid 533   and name HB2 ))
   (( segid W   and resid 533   and name HG2 ))
      2.200     1.200     1.200 peak  1720 weight  0.10000E+01 volume  0.88625E-02 ppm1      1.914 ppm2      2.077 CV     1
 OR { 1720}
   (( segid W   and resid 541   and name HB2 ))
   (( segid W   and resid 541   and name HG2 ))
 ASSI { 1727}
   (( segid W   and resid 551   and name HA ))
   (( segid W   and resid 534   and name HB2 ))
      5.200     5.200     0.800 peak  1727 weight  0.10000E+01 volume  0.38710E-03 ppm1      4.200 ppm2      2.018 CV     1
 OR { 1727}
   (( segid W   and resid 550   and name HA ))
   (( segid W   and resid 534   and name HB2 ))
 ASSI { 1741}
   (( segid W   and resid 562   and name HD22)) 
   (( segid W   and resid 559   and name HA ))
      4.900     4.900     1.100 peak  1741 weight  0.10000E+01 volume  0.35678E-03 ppm1      7.443 ppm2      2.352 CV     1
 OR { 1741}
   (( segid W   and resid 535   and name HZ2 ))
   (( segid W   and resid 559   and name HA ))
 ASSI { 1742}
   (( segid W   and resid 547   and name HN ))
   (( segid W   and resid 559   and name HA ))
      5.000     5.000     1.000 peak  1742 weight  0.10000E+01 volume  0.27981E-03 ppm1      9.163 ppm2      2.339 CV     1
 OR { 1742}
   (( segid W   and resid 548   and name HN ))
   (( segid W   and resid 559   and name HA ))
 ASSI { 1748}
   (( segid W   and resid 547   and name HB2 ))
   (( segid W   and resid 559   and name HA ))
      4.200     4.000     1.800 peak  1748 weight  0.10000E+01 volume  0.54837E-03 ppm1      3.352 ppm2      2.336 CV     1
 OR { 1748}
   (( segid W   and resid 535   and name HB2 ))
   (( segid W   and resid 559   and name HA ))
 ASSI { 1750}
   ( segid W   and resid 556   and name HG2%) 
   (( segid W   and resid 559   and name HA ))
      4.200     3.900     1.800 peak  1750 weight  0.10000E+01 volume  0.52758E-03 ppm1      1.645 ppm2      2.343 CV     1
 OR { 1750}
   (( segid W   and resid 532   and name HG1 ))
   (( segid W   and resid 559   and name HA ))
 ASSI { 1751}
   (( segid W   and resid 560   and name HB1 ))
   (( segid W   and resid 559   and name HA ))
      4.300     4.200     1.700 peak  1751 weight  0.10000E+01 volume  0.11100E-02 ppm1      0.864 ppm2      2.333 CV     1
 OR { 1751}
   ( segid W   and resid 558   and name HD1%) 
   (( segid W   and resid 559   and name HA ))
 ASSI { 1752}
   ( segid W   and resid 558   and name HG2%) 
   (( segid W   and resid 559   and name HA ))
      4.100     3.800     1.900 peak  1752 weight  0.10000E+01 volume  0.13216E-02 ppm1      0.571 ppm2      2.333 CV     1
 OR { 1752}
   (( segid W   and resid 560   and name HG2 ))
   (( segid W   and resid 559   and name HA ))
 ASSI { 1756}
   (( segid W   and resid 561   and name HN ))
   (( segid W   and resid 559   and name HB2 ))
      3.800     3.200     2.200 peak  1756 weight  0.10000E+01 volume  0.45246E-03 ppm1      8.479 ppm2      2.126 CV     1
 OR { 1756}
   (( segid W   and resid 563   and name HN ))
   (( segid W   and resid 559   and name HB2 ))
 ASSI { 1763}
   (( segid W   and resid 562   and name HA ))
   (( segid W   and resid 559   and name HB2 ))
      4.600     4.600     1.400 peak  1763 weight  0.10000E+01 volume  0.52976E-03 ppm1      4.599 ppm2      2.135 CV     1
 OR { 1763}
   (( segid W   and resid 565   and name HA ))
   (( segid W   and resid 559   and name HB2 ))
 ASSI { 1765}
   (( segid W   and resid 560   and name HA ))
   (( segid W   and resid 559   and name HB2 ))
      4.500     4.500     1.500 peak  1765 weight  0.10000E+01 volume  0.44775E-03 ppm1      3.903 ppm2      2.153 CV     1
 OR { 1765}
   (( segid W   and resid 563   and name HA2 ))
   (( segid W   and resid 559   and name HB2 ))
 ASSI { 1770}
   (( segid W   and resid 561   and name HD2 ))
   (( segid W   and resid 559   and name HB2 ))
      3.900     3.400     2.100 peak  1770 weight  0.10000E+01 volume  0.12028E-02 ppm1      2.850 ppm2      2.137 CV     1
 OR { 1770}
   (( segid W   and resid 561   and name HD1 ))
   (( segid W   and resid 559   and name HB2 ))
 OR { 1770}
   (( segid W   and resid 560   and name HD1 ))
   (( segid W   and resid 559   and name HB2 ))
 ASSI { 1772}
   ( segid W   and resid 556   and name HG2%) 
   (( segid W   and resid 559   and name HB2 ))
      4.600     4.600     1.400 peak  1772 weight  0.10000E+01 volume  0.48887E-03 ppm1      1.652 ppm2      2.135 CV     1
 OR { 1772}
   (( segid W   and resid 532   and name HG1 ))
   (( segid W   and resid 559   and name HB2 ))
 OR { 1772}
   (( segid W   and resid 564   and name HB1 ))
   (( segid W   and resid 559   and name HB2 ))
 ASSI { 1773}
   ( segid W   and resid 558   and name HG2%) 
   (( segid W   and resid 559   and name HB2 ))
      4.700     4.700     1.300 peak  1773 weight  0.10000E+01 volume  0.63760E-03 ppm1      0.562 ppm2      2.137 CV     1
 OR { 1773}
   (( segid W   and resid 560   and name HG2 ))
   (( segid W   and resid 559   and name HB2 ))
 ASSI { 1784}
   (( segid W   and resid 549   and name HN ))
   (( segid W   and resid 553   and name HA ))
      4.900     4.900     1.100 peak  1784 weight  0.10000E+01 volume  0.27499E-03 ppm1      8.310 ppm2      2.321 CV     1
 OR { 1784}
   (( segid W   and resid 551   and name HN ))
   (( segid W   and resid 553   and name HA ))
 ASSI { 1786}
   (( segid W   and resid 553   and name HN ))
   (( segid W   and resid 553   and name HA ))
      2.300     1.300     1.300 peak  1786 weight  0.10000E+01 volume  0.56842E-02 ppm1      7.387 ppm2      2.302 CV     1
 OR { 1786}
   (( segid W   and resid 554   and name HN ))
   (( segid W   and resid 553   and name HA ))
 ASSI { 1794}
   (( segid W   and resid 554   and name HG1 ))
   (( segid W   and resid 553   and name HA ))
      4.700     4.700     1.300 peak  1794 weight  0.10000E+01 volume  0.42581E-03 ppm1      1.387 ppm2      2.291 CV     1
 OR { 1794}
   ( segid W   and resid 551   and name HB% )
   (( segid W   and resid 553   and name HA ))
 ASSI { 1829}
   (( segid W   and resid 537   and name HA ))
   (( segid W   and resid 538   and name HG1 ))
      5.300     5.300     0.700 peak  1829 weight  0.10000E+01 volume  0.29326E-03 ppm1      5.108 ppm2      2.105 CV     1
 OR { 1829}
   (( segid W   and resid 537   and name HA ))
   (( segid W   and resid 538   and name HG2 ))
 OR { 1829}
   (( segid W   and resid 547   and name HA ))
   (( segid W   and resid 538   and name HG1 ))
 ASSI { 1832}
   (( segid P   and resid 230   and name HG2 ))
   (( segid W   and resid 538   and name HG2 ))
      4.600     4.600     1.400 peak  1832 weight  0.10000E+01 volume  0.33978E-03 ppm1      1.513 ppm2      2.101 CV     1
 OR { 1832}
   (( segid P   and resid 230   and name HG2 ))
   (( segid W   and resid 538   and name HG1 ))
 OR { 1832}
   (( segid P   and resid 236   and name HG ))
   (( segid W   and resid 538   and name HG2 ))
 OR { 1832}
   (( segid P   and resid 236   and name HG ))
   (( segid W   and resid 538   and name HG1 ))
 OR { 1832}
   (( segid W   and resid 544   and name HG1 ))
   (( segid W   and resid 538   and name HG2 ))
 ASSI { 1839}
   ( segid W   and resid 531   and name HD2%) 
   (( segid W   and resid 537   and name HB2 ))
      3.300     2.600     2.600 peak  1839 weight  0.10000E+01 volume  0.34406E-02 ppm1      0.845 ppm2      1.913 CV     1
 OR { 1839}
   ( segid W   and resid 558   and name HD1%) 
   (( segid W   and resid 558   and name HB ))
 ASSI { 1845}
   (( segid W   and resid 547   and name HB1 ))
   (( segid W   and resid 558   and name HB ))
      4.800     4.800     1.200 peak  1845 weight  0.10000E+01 volume  0.35827E-03 ppm1      3.194 ppm2      1.897 CV     1
 OR { 1845}
   (( segid W   and resid 535   and name HB1 ))
   (( segid W   and resid 537   and name HB2 ))
 OR { 1845}
   (( segid W   and resid 547   and name HB1 ))
   (( segid W   and resid 537   and name HB2 ))
 ASSI { 1848}
   (( segid W   and resid 556   and name HB ))
   (( segid W   and resid 558   and name HB ))
      5.100     5.100     0.900 peak  1848 weight  0.10000E+01 volume  0.33047E-03 ppm1      4.421 ppm2      1.920 CV     1
 OR { 1848}
   (( segid W   and resid 564   and name HA ))
   (( segid W   and resid 558   and name HB ))
 ASSI { 1849}
   (( segid W   and resid 536   and name HB2 ))
   (( segid W   and resid 537   and name HB2 ))
      4.700     4.700     1.300 peak  1849 weight  0.10000E+01 volume  0.27499E-03 ppm1      4.044 ppm2      1.900 CV     1
 OR { 1849}
   (( segid W   and resid 545   and name HB ))
   (( segid W   and resid 537   and name HB2 ))
 ASSI { 1851}
   (( segid W   and resid 563   and name HA2 ))
   (( segid W   and resid 558   and name HB ))
      5.400     5.400     0.600 peak  1851 weight  0.10000E+01 volume  0.43511E-03 ppm1      3.907 ppm2      1.924 CV     1
 OR { 1851}
   (( segid W   and resid 557   and name HB1 ))
   (( segid W   and resid 558   and name HB ))
 ASSI { 1854}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 537   and name HB2 ))
      4.000     3.500     2.000 peak  1854 weight  0.10000E+01 volume  0.11964E-02 ppm1      7.093 ppm2      1.900 CV     1
 OR { 1854}
   (( segid W   and resid 535   and name HH2 ))
   (( segid W   and resid 558   and name HB ))
 ASSI { 1859}
   (( segid W   and resid 537   and name HN ))
   (( segid W   and resid 537   and name HB2 ))
      2.600     1.600     1.600 peak  1859 weight  0.10000E+01 volume  0.50813E-02 ppm1      8.688 ppm2      1.918 CV     1
 OR { 1859}
   (( segid W   and resid 558   and name HN ))
   (( segid W   and resid 558   and name HB ))
 ASSI { 1861}
   (( segid W   and resid 548   and name HN ))
   (( segid W   and resid 537   and name HB2 ))
      5.100     5.100     0.900 peak  1861 weight  0.10000E+01 volume  0.34862E-03 ppm1      9.151 ppm2      1.905 CV     1
 OR { 1861}
   (( segid W   and resid 556   and name HN ))
   (( segid W   and resid 558   and name HB ))
 OR { 1861}
   (( segid W   and resid 547   and name HN ))
   (( segid W   and resid 537   and name HB2 ))
 ASSI { 1863}
   (( segid W   and resid 556   and name HN ))
   (( segid W   and resid 549   and name HB1 ))
      5.400     5.400     0.600 peak  1863 weight  0.10000E+01 volume  0.28096E-03 ppm1      9.106 ppm2      2.058 CV     1
 OR { 1863}
   (( segid W   and resid 547   and name HN ))
   (( segid W   and resid 549   and name HB1 ))
 ASSI { 1873}
   (( segid W   and resid 548   and name HA ))
   (( segid W   and resid 549   and name HB1 ))
      4.400     4.400     1.600 peak  1873 weight  0.10000E+01 volume  0.79831E-03 ppm1      4.223 ppm2      2.060 CV     1
 OR { 1873}
   (( segid W   and resid 550   and name HA ))
   (( segid W   and resid 549   and name HB1 ))
 ASSI { 1878}
   (( segid W   and resid 554   and name HD1 ))
   (( segid W   and resid 549   and name HB1 ))
      4.600     4.600     1.400 peak  1878 weight  0.10000E+01 volume  0.44740E-03 ppm1      3.147 ppm2      2.050 CV     1
 OR { 1878}
   (( segid W   and resid 550   and name HB2 ))
   (( segid W   and resid 549   and name HB1 ))
 OR { 1878}
   (( segid W   and resid 547   and name HB1 ))
   (( segid W   and resid 549   and name HB1 ))
 ASSI { 1879}
   (( segid W   and resid 554   and name HB2 ))
   (( segid W   and resid 549   and name HB1 ))
      4.100     3.800     1.900 peak  1879 weight  0.10000E+01 volume  0.94385E-03 ppm1      1.636 ppm2      2.046 CV     1
 OR { 1879}
   (( segid W   and resid 553   and name HB2 ))
   (( segid W   and resid 549   and name HB1 ))
 ASSI { 1880}
   (( segid W   and resid 554   and name HG1 ))
   (( segid W   and resid 549   and name HB1 ))
      3.700     3.100     2.300 peak  1880 weight  0.10000E+01 volume  0.14200E-02 ppm1      1.385 ppm2      2.052 CV     1
 OR { 1880}
   ( segid W   and resid 551   and name HB% )
   (( segid W   and resid 549   and name HB1 ))
 ASSI { 1903}
   (( segid W   and resid 545   and name HB ))
   ( segid W   and resid 537   and name HE% )
      3.600     3.000     2.400 peak  1903 weight  0.10000E+01 volume  0.11927E-02 ppm1      4.034 ppm2      2.080 CV     1
 OR { 1903}
   (( segid W   and resid 536   and name HB2 ))
   ( segid W   and resid 537   and name HE% )
 ASSI { 1909}
   (( segid W   and resid 561   and name HD1 ))
   ( segid W   and resid 537   and name HE% )
      4.700     4.700     1.300 peak  1909 weight  0.10000E+01 volume  0.61284E-03 ppm1      2.869 ppm2      2.079 CV     1
 OR { 1909}
   (( segid W   and resid 532   and name HD2 ))
   ( segid W   and resid 537   and name HE% )
 ASSI { 1916}
   (( segid P   and resid 230   and name HB2 ))
   ( segid W   and resid 540   and name HB% )
      5.200     5.200     0.800 peak  1916 weight  0.10000E+01 volume  0.48416E-03 ppm1      1.126 ppm2      1.888 CV     1
 OR { 1916}
   (( segid W   and resid 548   and name HG11)) 
   ( segid W   and resid 540   and name HB% )
 ASSI { 1917}
   ( segid W   and resid 539   and name HG1%) 
   ( segid W   and resid 540   and name HB% )
      4.300     4.000     1.700 peak  1917 weight  0.10000E+01 volume  0.22025E-02 ppm1      0.975 ppm2      1.882 CV     1
 OR { 1917}
   ( segid W   and resid 555   and name HG2%) 
   ( segid W   and resid 540   and name HB% )
 ASSI { 1919}
   (( segid W   and resid 538   and name HB1 ))
   ( segid W   and resid 540   and name HB% )
      4.000     3.700     2.000 peak  1919 weight  0.10000E+01 volume  0.12269E-02 ppm1      1.319 ppm2      1.882 CV     1
 OR { 1919}
   (( segid W   and resid 544   and name HD1 ))
   ( segid W   and resid 540   and name HB% )
 ASSI { 1921}
   (( segid P   and resid 230   and name HD2 ))
   ( segid W   and resid 540   and name HB% )
      2.900     2.000     2.000 peak  1921 weight  0.10000E+01 volume  0.22883E-02 ppm1      2.101 ppm2      1.874 CV     1
 OR { 1921}
   (( segid W   and resid 541   and name HG2 ))
   ( segid W   and resid 540   and name HB% )
 OR { 1921}
   (( segid W   and resid 541   and name HG1 ))
   ( segid W   and resid 540   and name HB% )
 ASSI { 1926}
   (( segid W   and resid 542   and name HD21)) 
   ( segid W   and resid 540   and name HB% )
      5.300     5.300     0.700 peak  1926 weight  0.10000E+01 volume  0.96146E-03 ppm1      5.535 ppm2      1.880 CV     1
 OR { 1926}
   (( segid W   and resid 555   and name HA ))
   ( segid W   and resid 540   and name HB% )
 ASSI { 1932}
   (( segid P   and resid 230   and name HA ))
   ( segid W   and resid 540   and name HB% )
      5.000     5.000     1.000 peak  1932 weight  0.10000E+01 volume  0.10318E-02 ppm1      4.177 ppm2      1.882 CV     1
 OR { 1932}
   (( segid W   and resid 555   and name HB ))
   ( segid W   and resid 540   and name HB% )
 ASSI { 1935}
   (( segid W   and resid 542   and name HB2 ))
   ( segid W   and resid 540   and name HB% )
      3.300     2.600     2.600 peak  1935 weight  0.10000E+01 volume  0.14687E-02 ppm1      3.195 ppm2      1.883 CV     1
 OR { 1935}
   (( segid W   and resid 546   and name HB1 ))
   ( segid W   and resid 540   and name HB% )
 ASSI { 1946}
   ( segid W   and resid 546   and name HD% )
   ( segid W   and resid 540   and name HB% )
      2.000     1.000     1.000 peak  1946 weight  0.10000E+01 volume  0.11945E-01 ppm1      7.016 ppm2      1.881 CV     1
 OR { 1946}
   (( segid W   and resid 557   and name HH2 ))
   ( segid W   and resid 540   and name HB% )
 ASSI { 1967}
   (( segid W   and resid 561   and name HH21)) 
   (( segid W   and resid 531   and name HG ))
      4.400     4.300     1.600 peak  1967 weight  0.10000E+01 volume  0.49691E-03 ppm1      7.051 ppm2      1.825 CV     1
 OR { 1967}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 531   and name HG ))
 ASSI { 1972}
   (( segid W   and resid 532   and name HD1 ))
   (( segid W   and resid 531   and name HG ))
      4.500     4.500     1.500 peak  1972 weight  0.10000E+01 volume  0.78535E-03 ppm1      3.304 ppm2      1.824 CV     1
 OR { 1972}
   (( segid W   and resid 535   and name HB2 ))
   (( segid W   and resid 531   and name HG ))
 ASSI { 1979}
   (( segid W   and resid 529   and name HN ))
   (( segid W   and resid 529   and name HB1 ))
      3.200     2.400     2.400 peak  1979 weight  0.10000E+01 volume  0.30221E-02 ppm1      8.523 ppm2      1.854 CV     1
 OR { 1979}
   (( segid W   and resid 528   and name HN ))
   (( segid W   and resid 527   and name HB1 ))
 ASSI { 1984}
   (( segid W   and resid 561   and name HH21)) 
   (( segid W   and resid 529   and name HB2 ))
      4.400     4.200     1.600 peak  1984 weight  0.10000E+01 volume  0.44350E-03 ppm1      7.056 ppm2      1.951 CV     1
 OR { 1984}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 532   and name HB2 ))
 ASSI { 1990}
   (( segid W   and resid 533   and name HD2 ))
   (( segid W   and resid 532   and name HB2 ))
      2.900     2.000     2.000 peak  1990 weight  0.10000E+01 volume  0.32880E-02 ppm1      3.638 ppm2      1.953 CV     1
 OR { 1990}
   (( segid W   and resid 530   and name HD2 ))
   (( segid W   and resid 529   and name HB2 ))
 ASSI { 1991}
   (( segid W   and resid 533   and name HD1 ))
   (( segid W   and resid 532   and name HB2 ))
      4.000     3.600     2.000 peak  1991 weight  0.10000E+01 volume  0.20714E-02 ppm1      3.864 ppm2      1.952 CV     1
 OR { 1991}
   (( segid W   and resid 561   and name HA ))
   (( segid W   and resid 529   and name HB2 ))
 ASSI { 1992}
   (( segid W   and resid 535   and name HB2 ))
   (( segid W   and resid 532   and name HB2 ))
      3.700     3.100     2.300 peak  1992 weight  0.10000E+01 volume  0.14372E-02 ppm1      3.306 ppm2      1.949 CV     1
 OR { 1992}
   (( segid W   and resid 532   and name HD1 ))
   (( segid W   and resid 532   and name HB2 ))
 ASSI { 1993}
   (( segid W   and resid 532   and name HD2 ))
   (( segid W   and resid 532   and name HB2 ))
      3.000     2.100     2.100 peak  1993 weight  0.10000E+01 volume  0.19818E-02 ppm1      2.854 ppm2      1.951 CV     1
 OR { 1993}
   (( segid W   and resid 561   and name HD1 ))
   (( segid W   and resid 529   and name HB2 ))
 OR { 1993}
   (( segid W   and resid 561   and name HD2 ))
   (( segid W   and resid 529   and name HB2 ))
 ASSI { 2007}
   (( segid W   and resid 528   and name HN ))
   (( segid W   and resid 528   and name HB1 ))
      3.100     2.300     2.300 peak  2007 weight  0.10000E+01 volume  0.29566E-02 ppm1      8.501 ppm2      1.971 CV     1
 OR { 2007}
   (( segid W   and resid 529   and name HN ))
   (( segid W   and resid 528   and name HB1 ))
 ASSI { 2008}
   (( segid W   and resid 528   and name HN ))
   (( segid W   and resid 528   and name HB2 ))
      3.000     2.100     2.100 peak  2008 weight  0.10000E+01 volume  0.29867E-02 ppm1      8.493 ppm2      1.881 CV     1
 OR { 2008}
   (( segid W   and resid 529   and name HN ))
   (( segid W   and resid 528   and name HB2 ))
 ASSI { 2031}
   (( segid W   and resid 566   and name HB1 ))
   (( segid W   and resid 544   and name HB2 ))
      4.200     3.900     1.800 peak  2031 weight  0.10000E+01 volume  0.30819E-03 ppm1      4.062 ppm2      1.513 CV     1
 OR { 2031}
   (( segid W   and resid 545   and name HB ))
   (( segid W   and resid 544   and name HB2 ))
 ASSI { 2032}
   (( segid W   and resid 543   and name HA1 ))
   (( segid W   and resid 544   and name HB2 ))
      4.500     4.500     1.500 peak  2032 weight  0.10000E+01 volume  0.55021E-03 ppm1      4.272 ppm2      1.533 CV     1
 OR { 2032}
   (( segid W   and resid 566   and name HA ))
   (( segid W   and resid 544   and name HB2 ))
 ASSI { 2034}
   (( segid W   and resid 546   and name HB1 ))
   (( segid W   and resid 544   and name HB2 ))
      5.200     5.200     0.800 peak  2034 weight  0.10000E+01 volume  0.34851E-03 ppm1      3.141 ppm2      1.501 CV     1
 OR { 2034}
   (( segid W   and resid 557   and name HB2 ))
   (( segid W   and resid 544   and name HB2 ))
 ASSI { 2053}
   (( segid W   and resid 552   and name HB2 ))
   (( segid W   and resid 554   and name HB2 ))
      5.600     5.600     0.400 peak  2053 weight  0.10000E+01 volume  0.46705E-03 ppm1      3.414 ppm2      1.665 CV     1
 OR { 2053}
   (( segid P   and resid 232   and name HA ))
   (( segid W   and resid 554   and name HB2 ))
 ASSI { 2054}
   (( segid W   and resid 552   and name HB2 ))
   (( segid W   and resid 554   and name HB1 ))
      4.700     4.700     1.300 peak  2054 weight  0.10000E+01 volume  0.50748E-03 ppm1      3.428 ppm2      1.567 CV     1
 OR { 2054}
   (( segid W   and resid 549   and name HA ))
   (( segid W   and resid 554   and name HB1 ))
 ASSI { 2082}
   (( segid W   and resid 535   and name HB2 ))
   (( segid W   and resid 531   and name HB2 ))
      2.900     2.000     2.000 peak  2082 weight  0.10000E+01 volume  0.22111E-02 ppm1      3.308 ppm2      1.759 CV     1
 OR { 2082}
   (( segid W   and resid 532   and name HD1 ))
   (( segid W   and resid 531   and name HB2 ))
 ASSI { 2085}
   (( segid W   and resid 530   and name HB2 ))
   (( segid W   and resid 531   and name HB2 ))
      5.000     5.000     1.000 peak  2085 weight  0.10000E+01 volume  0.45188E-03 ppm1      1.919 ppm2      1.750 CV     1
 OR { 2085}
   (( segid W   and resid 532   and name HB2 ))
   (( segid W   and resid 531   and name HB2 ))
 OR { 2085}
   (( segid W   and resid 537   and name HB2 ))
   (( segid W   and resid 531   and name HB2 ))
 ASSI { 2089}
   (( segid W   and resid 556   and name HN ))
   ( segid W   and resid 556   and name HG2%) 
      2.300     1.300     1.300 peak  2089 weight  0.10000E+01 volume  0.85521E-02 ppm1      9.126 ppm2      1.636 CV     1
 OR { 2089}
   (( segid W   and resid 547   and name HN ))
   ( segid W   and resid 556   and name HG2%) 
 ASSI { 2092}
   (( segid W   and resid 549   and name HN ))
   ( segid W   and resid 556   and name HG2%) 
      4.500     4.500     1.500 peak  2092 weight  0.10000E+01 volume  0.55836E-03 ppm1      8.268 ppm2      1.635 CV     1
 OR { 2092}
   (( segid W   and resid 557   and name HE3 ))
   ( segid W   and resid 556   and name HG2%) 
 ASSI { 2104}
   (( segid W   and resid 560   and name HA ))
   ( segid W   and resid 556   and name HG2%) 
      4.800     4.800     1.200 peak  2104 weight  0.10000E+01 volume  0.36125E-03 ppm1      3.909 ppm2      1.633 CV     1
 OR { 2104}
   (( segid W   and resid 557   and name HB1 ))
   ( segid W   and resid 556   and name HG2%) 
 ASSI { 2105}
   (( segid W   and resid 555   and name HB ))
   ( segid W   and resid 556   and name HG2%) 
      4.200     3.900     1.800 peak  2105 weight  0.10000E+01 volume  0.95198E-03 ppm1      4.194 ppm2      1.634 CV     1
 OR { 2105}
   (( segid W   and resid 548   and name HA ))
   ( segid W   and resid 556   and name HG2%) 
 ASSI { 2116}
   (( segid W   and resid 549   and name HB2 ))
   ( segid W   and resid 556   and name HG2%) 
      3.500     2.800     2.500 peak  2116 weight  0.10000E+01 volume  0.18682E-02 ppm1      0.571 ppm2      1.638 CV     1
 OR { 2116}
   ( segid W   and resid 558   and name HG2%) 
   ( segid W   and resid 556   and name HG2%) 
 ASSI { 2118}
   ( segid P   and resid 229   and name HD1%) 
   ( segid W   and resid 556   and name HG2%) 
      4.300     4.200     1.700 peak  2118 weight  0.10000E+01 volume  0.87898E-03 ppm1      0.179 ppm2      1.639 CV     1
 OR { 2118}
   (( segid W   and resid 560   and name HG1 ))
   ( segid W   and resid 556   and name HG2%) 
 ASSI { 2127}
   (( segid W   and resid 561   and name HH21)) 
   (( segid W   and resid 561   and name HG1 ))
      4.700     4.700     1.300 peak  2127 weight  0.10000E+01 volume  0.50530E-03 ppm1      7.059 ppm2      1.744 CV     1
 OR { 2127}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 561   and name HG1 ))
 ASSI { 2128}
   (( segid W   and resid 551   and name HA ))
   (( segid W   and resid 534   and name HG1 ))
      3.800     3.200     2.200 peak  2128 weight  0.10000E+01 volume  0.90642E-03 ppm1      4.126 ppm2      1.669 CV     1
 OR { 2128}
   (( segid W   and resid 531   and name HA ))
   (( segid W   and resid 532   and name HG1 ))
 ASSI { 2137}
   ( segid W   and resid 531   and name HD2%) 
   (( segid W   and resid 561   and name HG1 ))
      4.200     3.900     1.800 peak  2137 weight  0.10000E+01 volume  0.14819E-02 ppm1      0.864 ppm2      1.733 CV     1
 OR { 2137}
   (( segid W   and resid 560   and name HB1 ))
   (( segid W   and resid 561   and name HG1 ))
 ASSI { 2141}
   (( segid W   and resid 532   and name HG2 ))
   (( segid W   and resid 532   and name HG1 ))
      1.800     0.800     0.800 peak  2141 weight  0.10000E+01 volume  0.82568E-02 ppm1      1.376 ppm2      1.664 CV     1
 OR { 2141}
   ( segid W   and resid 551   and name HB% )
   (( segid W   and resid 534   and name HG1 ))
 ASSI { 2142}
   (( segid W   and resid 544   and name HB1 ))
   (( segid W   and resid 544   and name HG2 ))
      3.000     2.100     2.100 peak  2142 weight  0.10000E+01 volume  0.32693E-02 ppm1      1.947 ppm2      1.653 CV     1
 OR { 2142}
   (( segid W   and resid 532   and name HB2 ))
   (( segid W   and resid 532   and name HG1 ))
 ASSI { 2144}
   (( segid W   and resid 532   and name HD2 ))
   (( segid W   and resid 532   and name HG1 ))
      2.800     1.900     1.900 peak  2144 weight  0.10000E+01 volume  0.24264E-02 ppm1      2.880 ppm2      1.660 CV     1
 OR { 2144}
   (( segid W   and resid 553   and name HD1 ))
   (( segid W   and resid 553   and name HB2 ))
 ASSI { 2145}
   (( segid W   and resid 553   and name HD2 ))
   (( segid W   and resid 553   and name HB2 ))
      3.900     3.500     2.100 peak  2145 weight  0.10000E+01 volume  0.11155E-02 ppm1      3.069 ppm2      1.641 CV     1
 OR { 2145}
   (( segid W   and resid 550   and name HB2 ))
   (( segid W   and resid 534   and name HG1 ))
 ASSI { 2147}
   (( segid W   and resid 552   and name HA ))
   (( segid W   and resid 553   and name HB2 ))
      4.900     4.900     1.100 peak  2147 weight  0.10000E+01 volume  0.46751E-03 ppm1      4.281 ppm2      1.624 CV     1
 OR { 2147}
   (( segid W   and resid 543   and name HA1 ))
   (( segid W   and resid 544   and name HG2 ))
 ASSI { 2148}
   (( segid W   and resid 544   and name HA ))
   (( segid W   and resid 544   and name HG2 ))
      3.800     3.300     2.200 peak  2148 weight  0.10000E+01 volume  0.17383E-02 ppm1      4.471 ppm2      1.609 CV     1
 OR { 2148}
   (( segid W   and resid 533   and name HA ))
   (( segid W   and resid 534   and name HG1 ))
 ASSI { 2153}
   (( segid W   and resid 550   and name HD2 ))
   (( segid W   and resid 534   and name HG1 ))
      5.600     5.600     0.400 peak  2153 weight  0.10000E+01 volume  0.27453E-03 ppm1      6.751 ppm2      1.630 CV     1
 OR { 2153}
   ( segid W   and resid 546   and name HE% )
   (( segid W   and resid 544   and name HG2 ))
 OR { 2153}
   (( segid W   and resid 550   and name HD2 ))
   (( segid W   and resid 553   and name HB2 ))
 ASSI { 2154}
   (( segid W   and resid 557   and name HH2 ))
   (( segid W   and resid 544   and name HG2 ))
      4.500     4.500     1.500 peak  2154 weight  0.10000E+01 volume  0.55515E-03 ppm1      6.974 ppm2      1.621 CV     1
 OR { 2154}
   (( segid W   and resid 552   and name HN ))
   (( segid W   and resid 553   and name HB2 ))
 ASSI { 2155}
   (( segid W   and resid 553   and name HN ))
   (( segid W   and resid 553   and name HB2 ))
      4.600     4.600     1.400 peak  2155 weight  0.10000E+01 volume  0.91891E-03 ppm1      7.314 ppm2      1.664 CV     1
 OR { 2155}
   (( segid W   and resid 535   and name HD1 ))
   (( segid W   and resid 532   and name HG1 ))
 OR { 2155}
   ( segid W   and resid 547   and name HE% )
   (( segid W   and resid 532   and name HG1 ))
 ASSI { 2158}
   (( segid W   and resid 564   and name HN ))
   (( segid W   and resid 564   and name HG1 ))
      3.000     2.100     2.100 peak  2158 weight  0.10000E+01 volume  0.87997E-03 ppm1      8.115 ppm2      1.482 CV     1
 OR { 2158}
   (( segid W   and resid 544   and name HN ))
   (( segid W   and resid 544   and name HG1 ))
 ASSI { 2163}
   (( segid W   and resid 535   and name HE1 ))
   (( segid W   and resid 532   and name HG1 ))
      5.400     5.400     0.600 peak  2163 weight  0.10000E+01 volume  0.40215E-03 ppm1     10.119 ppm2      1.664 CV     1
 OR { 2163}
   (( segid W   and resid 535   and name HE1 ))
   (( segid W   and resid 534   and name HG1 ))
 ASSI { 2176}
   (( segid W   and resid 561   and name HN ))
   (( segid W   and resid 561   and name HB2 ))
      3.500     2.800     2.500 peak  2176 weight  0.10000E+01 volume  0.16171E-02 ppm1      8.478 ppm2      1.561 CV     1
 OR { 2176}
   (( segid W   and resid 529   and name HN ))
   (( segid W   and resid 561   and name HB2 ))
 ASSI { 2182}
   (( segid W   and resid 561   and name HH21)) 
   (( segid W   and resid 561   and name HB2 ))
      5.200     5.200     0.800 peak  2182 weight  0.10000E+01 volume  0.30876E-03 ppm1      7.060 ppm2      1.577 CV     1
 OR { 2182}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 561   and name HB2 ))
 ASSI { 2188}
   (( segid W   and resid 561   and name HD2 ))
   (( segid W   and resid 561   and name HB1 ))
      3.100     2.200     2.200 peak  2188 weight  0.10000E+01 volume  0.20810E-02 ppm1      2.844 ppm2      1.742 CV     1
 OR { 2188}
   (( segid W   and resid 561   and name HD1 ))
   (( segid W   and resid 561   and name HB1 ))
 OR { 2188}
   (( segid W   and resid 532   and name HD2 ))
   (( segid W   and resid 561   and name HB1 ))
 ASSI { 2196}
   ( segid W   and resid 531   and name HD2%) 
   (( segid W   and resid 561   and name HB1 ))
      4.700     4.700     1.300 peak  2196 weight  0.10000E+01 volume  0.60418E-03 ppm1      0.852 ppm2      1.737 CV     1
 OR { 2196}
   (( segid W   and resid 560   and name HB1 ))
   (( segid W   and resid 561   and name HB1 ))
 ASSI { 2204}
   (( segid W   and resid 538   and name HN ))
   (( segid W   and resid 548   and name HG11)) 
      4.100     3.900     1.900 peak  2204 weight  0.10000E+01 volume  0.41685E-03 ppm1      8.062 ppm2      1.105 CV     1
 OR { 2204}
   (( segid W   and resid 555   and name HN ))
   (( segid W   and resid 548   and name HG11)) 
 ASSI { 2205}
   (( segid W   and resid 535   and name HE3 ))
   (( segid W   and resid 548   and name HG11)) 
      5.300     5.300     0.700 peak  2205 weight  0.10000E+01 volume  0.22307E-03 ppm1      7.541 ppm2      1.109 CV     1
 OR { 2205}
   (( segid W   and resid 538   and name HE21)) 
   (( segid W   and resid 548   and name HG11)) 
 OR { 2205}
   (( segid W   and resid 550   and name HE1 ))
   (( segid W   and resid 548   and name HG11)) 
 ASSI { 2209}
   (( segid W   and resid 547   and name HA ))
   (( segid W   and resid 548   and name HG11)) 
      3.400     2.600     2.600 peak  2209 weight  0.10000E+01 volume  0.12445E-02 ppm1      5.125 ppm2      1.109 CV     1
 OR { 2209}
   (( segid W   and resid 537   and name HA ))
   (( segid W   and resid 548   and name HG11)) 
 ASSI { 2210}
   (( segid W   and resid 548   and name HA ))
   (( segid W   and resid 548   and name HG11)) 
      2.700     1.800     1.800 peak  2210 weight  0.10000E+01 volume  0.21639E-02 ppm1      4.219 ppm2      1.105 CV     1
 OR { 2210}
   (( segid W   and resid 555   and name HB ))
   (( segid W   and resid 548   and name HG11)) 
 ASSI { 2214}
   (( segid W   and resid 538   and name HB1 ))
   (( segid W   and resid 548   and name HG11)) 
      3.700     3.100     2.300 peak  2214 weight  0.10000E+01 volume  0.13683E-02 ppm1      1.291 ppm2      1.103 CV     1
 OR { 2214}
   ( segid P   and resid 235   and name HB% )
   (( segid W   and resid 548   and name HG11)) 
 ASSI { 2232}
   (( segid W   and resid 549   and name HN ))
   (( segid W   and resid 554   and name HG1 ))
      4.800     4.800     1.200 peak  2232 weight  0.10000E+01 volume  0.43041E-03 ppm1      8.293 ppm2      1.391 CV     1
 OR { 2232}
   (( segid W   and resid 551   and name HN ))
   (( segid W   and resid 554   and name HG1 ))
 ASSI { 2238}
   (( segid W   and resid 552   and name HA ))
   (( segid W   and resid 554   and name HG1 ))
      4.800     4.800     1.200 peak  2238 weight  0.10000E+01 volume  0.50737E-03 ppm1      4.246 ppm2      1.386 CV     1
 OR { 2238}
   (( segid W   and resid 548   and name HA ))
   (( segid W   and resid 554   and name HG1 ))
 ASSI { 2240}
   (( segid W   and resid 561   and name HA ))
   (( segid W   and resid 532   and name HG2 ))
      4.200     3.900     1.800 peak  2240 weight  0.10000E+01 volume  0.38584E-03 ppm1      3.835 ppm2      1.387 CV     1
 OR { 2240}
   (( segid W   and resid 533   and name HD1 ))
   (( segid W   and resid 532   and name HG2 ))
 ASSI { 2241}
   (( segid W   and resid 552   and name HB1 ))
   (( segid W   and resid 554   and name HG1 ))
      3.700     3.200     2.300 peak  2241 weight  0.10000E+01 volume  0.11340E-02 ppm1      3.648 ppm2      1.384 CV     1
 OR { 2241}
   (( segid W   and resid 533   and name HD2 ))
   (( segid W   and resid 532   and name HG2 ))
 ASSI { 2246}
   (( segid W   and resid 532   and name HG1 ))
   (( segid W   and resid 532   and name HG2 ))
      1.600     0.700     0.700 peak  2246 weight  0.10000E+01 volume  0.16018E-01 ppm1      1.664 ppm2      1.380 CV     1
 OR { 2246}
   (( segid W   and resid 554   and name HB2 ))
   (( segid W   and resid 554   and name HG1 ))
 ASSI { 2254}
   (( segid W   and resid 534   and name HB1 ))
   (( segid W   and resid 534   and name HG2 ))
      2.800     1.900     1.900 peak  2254 weight  0.10000E+01 volume  0.38218E-02 ppm1      2.425 ppm2      1.475 CV     1
 OR { 2254}
   (( segid W   and resid 533   and name HB1 ))
   (( segid W   and resid 534   and name HG2 ))
 ASSI { 2255}
   (( segid W   and resid 544   and name HB1 ))
   (( segid W   and resid 544   and name HG1 ))
      2.700     1.800     1.800 peak  2255 weight  0.10000E+01 volume  0.24821E-02 ppm1      1.919 ppm2      1.480 CV     1
 OR { 2255}
   (( segid W   and resid 533   and name HB2 ))
   (( segid W   and resid 534   and name HG2 ))
 ASSI { 2256}
   (( segid W   and resid 534   and name HG1 ))
   (( segid W   and resid 534   and name HG2 ))
      1.900     0.900     0.900 peak  2256 weight  0.10000E+01 volume  0.69991E-02 ppm1      1.625 ppm2      1.480 CV     1
 OR { 2256}
   (( segid W   and resid 544   and name HG2 ))
   (( segid W   and resid 544   and name HG1 ))
 ASSI { 2261}
   ( segid W   and resid 545   and name HG2%) 
   (( segid W   and resid 544   and name HG1 ))
      5.100     5.100     0.900 peak  2261 weight  0.10000E+01 volume  0.26385E-03 ppm1      0.845 ppm2      1.470 CV     1
 OR { 2261}
   ( segid W   and resid 558   and name HD1%) 
   (( segid W   and resid 564   and name HG1 ))
 ASSI { 2274}
   (( segid W   and resid 535   and name HD1 ))
   (( segid W   and resid 532   and name HG2 ))
      3.900     3.400     2.100 peak  2274 weight  0.10000E+01 volume  0.15716E-02 ppm1      7.301 ppm2      1.367 CV     1
 OR { 2274}
   ( segid W   and resid 547   and name HE% )
   (( segid W   and resid 532   and name HG2 ))
 ASSI { 2279}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 561   and name HG2 ))
      4.800     4.800     1.200 peak  2279 weight  0.10000E+01 volume  0.38491E-03 ppm1      7.063 ppm2      1.163 CV     1
 OR { 2279}
   (( segid W   and resid 561   and name HH21)) 
   (( segid W   and resid 561   and name HG2 ))
 ASSI { 2286}
   ( segid W   and resid 531   and name HD2%) 
   (( segid W   and resid 561   and name HG2 ))
      3.800     3.300     2.200 peak  2286 weight  0.10000E+01 volume  0.15288E-02 ppm1      0.865 ppm2      1.130 CV     1
 OR { 2286}
   (( segid W   and resid 560   and name HB1 ))
   (( segid W   and resid 561   and name HG2 ))
 ASSI { 2288}
   (( segid W   and resid 564   and name HA ))
   (( segid W   and resid 564   and name HG1 ))
      3.000     2.100     2.100 peak  2288 weight  0.10000E+01 volume  0.24346E-02 ppm1      4.460 ppm2      1.488 CV     1
 OR { 2288}
   (( segid W   and resid 544   and name HA ))
   (( segid W   and resid 544   and name HG1 ))
 ASSI { 2306}
   (( segid W   and resid 535   and name HB2 ))
   ( segid W   and resid 531   and name HD1%) 
      3.900     3.400     2.100 peak  2306 weight  0.10000E+01 volume  0.28247E-02 ppm1      3.299 ppm2      1.048 CV     1
 OR { 2306}
   (( segid W   and resid 532   and name HD1 ))
   ( segid W   and resid 531   and name HD1%) 
 ASSI { 2323}
   ( segid W   and resid 547   and name HD% )
   ( segid W   and resid 531   and name HD2%) 
      2.800     1.800     1.800 peak  2323 weight  0.10000E+01 volume  0.56649E-02 ppm1      7.079 ppm2      0.862 CV     1
 OR { 2323}
   (( segid W   and resid 561   and name HH21)) 
   ( segid W   and resid 531   and name HD2%) 
 ASSI { 2330}
   (( segid W   and resid 548   and name HN ))
   ( segid W   and resid 531   and name HD2%) 
      4.200     3.900     1.800 peak  2330 weight  0.10000E+01 volume  0.68427E-03 ppm1      9.151 ppm2      0.859 CV     1
 OR { 2330}
   (( segid W   and resid 547   and name HN ))
   ( segid W   and resid 531   and name HD2%) 
 ASSI { 2342}
   (( segid W   and resid 532   and name HD2 ))
   ( segid W   and resid 531   and name HD2%) 
      2.700     1.700     1.700 peak  2342 weight  0.10000E+01 volume  0.97779E-02 ppm1      2.868 ppm2      0.862 CV     1
 OR { 2342}
   (( segid W   and resid 561   and name HD1 ))
   ( segid W   and resid 531   and name HD2%) 
 ASSI { 2343}
   (( segid W   and resid 532   and name HD1 ))
   ( segid W   and resid 531   and name HD2%) 
      2.900     1.900     1.900 peak  2343 weight  0.10000E+01 volume  0.63190E-02 ppm1      3.305 ppm2      0.862 CV     1
 OR { 2343}
   (( segid W   and resid 535   and name HB2 ))
   ( segid W   and resid 531   and name HD2%) 
 ASSI { 2344}
   (( segid W   and resid 530   and name HA ))
   ( segid W   and resid 531   and name HD2%) 
      3.900     3.500     2.100 peak  2344 weight  0.10000E+01 volume  0.14385E-02 ppm1      4.409 ppm2      0.868 CV     1
 OR { 2344}
   (( segid W   and resid 522   and name HA ))
   ( segid W   and resid 523   and name HD2%) 
 ASSI { 2348}
   (( segid W   and resid 537   and name HA ))
   ( segid W   and resid 531   and name HD2%) 
      4.200     3.900     1.800 peak  2348 weight  0.10000E+01 volume  0.85748E-03 ppm1      5.120 ppm2      0.863 CV     1
 OR { 2348}
   (( segid W   and resid 547   and name HA ))
   ( segid W   and resid 531   and name HD2%) 
 ASSI { 2350}
   (( segid W   and resid 546   and name HN ))
   ( segid W   and resid 545   and name HG2%) 
      3.300     2.500     2.500 peak  2350 weight  0.10000E+01 volume  0.57517E-02 ppm1      9.357 ppm2      0.828 CV     1
 OR { 2350}
   (( segid W   and resid 540   and name HN ))
   ( segid W   and resid 545   and name HG2%) 
 ASSI { 2359}
   (( segid P   and resid 234   and name HN ))
   ( segid W   and resid 555   and name HG2%) 
      4.500     4.500     1.500 peak  2359 weight  0.10000E+01 volume  0.45234E-03 ppm1      7.560 ppm2      1.000 CV     1
 OR { 2359}
   (( segid W   and resid 535   and name HE3 ))
   ( segid W   and resid 555   and name HG2%) 
 OR { 2359}
   (( segid W   and resid 538   and name HE21)) 
   ( segid W   and resid 555   and name HG2%) 
 ASSI { 2369}
   (( segid W   and resid 555   and name HB ))
   ( segid W   and resid 555   and name HG2%) 
      2.200     1.200     1.200 peak  2369 weight  0.10000E+01 volume  0.91856E-02 ppm1      4.196 ppm2      1.002 CV     1
 OR { 2369}
   (( segid W   and resid 548   and name HA ))
   ( segid W   and resid 555   and name HG2%) 
 OR { 2369}
   (( segid P   and resid 231   and name HA ))
   ( segid W   and resid 555   and name HG2%) 
 ASSI { 2370}
   (( segid P   and resid 231   and name HB2 ))
   ( segid W   and resid 555   and name HG2%) 
      4.700     4.700     1.300 peak  2370 weight  0.10000E+01 volume  0.68910E-03 ppm1      3.870 ppm2      1.000 CV     1
 OR { 2370}
   (( segid W   and resid 536   and name HB1 ))
   ( segid W   and resid 555   and name HG2%) 
 ASSI { 2374}
   (( segid P   and resid 232   and name HB2 ))
   ( segid W   and resid 555   and name HG2%) 
      3.300     2.500     2.500 peak  2374 weight  0.10000E+01 volume  0.13093E-02 ppm1      2.550 ppm2      1.004 CV     1
 OR { 2374}
   (( segid W   and resid 546   and name HB2 ))
   ( segid W   and resid 555   and name HG2%) 
 ASSI { 2375}
   (( segid W   and resid 549   and name HB1 ))
   ( segid W   and resid 555   and name HG2%) 
      4.700     4.700     1.300 peak  2375 weight  0.10000E+01 volume  0.60052E-03 ppm1      2.059 ppm2      1.006 CV     1
 OR { 2375}
   (( segid W   and resid 538   and name HG2 ))
   ( segid W   and resid 555   and name HG2%) 
 ASSI { 2377}
   (( segid W   and resid 554   and name HB2 ))
   ( segid W   and resid 555   and name HG2%) 
      4.200     4.000     1.800 peak  2377 weight  0.10000E+01 volume  0.10155E-02 ppm1      1.634 ppm2      1.004 CV     1
 OR { 2377}
   ( segid W   and resid 556   and name HG2%) 
   ( segid W   and resid 555   and name HG2%) 
 ASSI { 2379}
   ( segid P   and resid 235   and name HB% )
   ( segid W   and resid 555   and name HG2%) 
      2.900     1.900     1.900 peak  2379 weight  0.10000E+01 volume  0.48763E-02 ppm1      1.290 ppm2      1.003 CV     1
 OR { 2379}
   (( segid W   and resid 538   and name HB1 ))
   ( segid W   and resid 555   and name HG2%) 
 ASSI { 2381}
   ( segid W   and resid 548   and name HG2%) 
   ( segid W   and resid 555   and name HG2%) 
      2.900     2.000     2.000 peak  2381 weight  0.10000E+01 volume  0.40498E-02 ppm1      0.164 ppm2      1.003 CV     1
 OR { 2381}
   ( segid P   and resid 229   and name HD1%) 
   ( segid W   and resid 555   and name HG2%) 
 ASSI { 2383}
   (( segid W   and resid 537   and name HB1 ))
   ( segid W   and resid 545   and name HG2%) 
      3.500     2.700     2.500 peak  2383 weight  0.10000E+01 volume  0.31186E-02 ppm1      1.671 ppm2      0.828 CV     1
 OR { 2383}
   (( segid W   and resid 544   and name HG2 ))
   ( segid W   and resid 545   and name HG2%) 
 ASSI { 2384}
   (( segid W   and resid 539   and name HB ))
   ( segid W   and resid 545   and name HG2%) 
      3.800     3.200     2.200 peak  2384 weight  0.10000E+01 volume  0.22861E-02 ppm1      1.892 ppm2      0.829 CV     1
 OR { 2384}
   ( segid W   and resid 540   and name HB% )
   ( segid W   and resid 545   and name HG2%) 
 ASSI { 2385}
   ( segid W   and resid 537   and name HE% )
   ( segid W   and resid 545   and name HG2%) 
      3.000     3.000     3.000 peak  2385 weight  0.10000E+01 volume  0.43362E-02 ppm1      2.091 ppm2      0.828 CV     1
 OR { 2385}
   (( segid W   and resid 538   and name HG1 ))
   ( segid W   and resid 545   and name HG2%) 
 OR { 2385}
   (( segid W   and resid 538   and name HG2 ))
   ( segid W   and resid 545   and name HG2%) 
 ASSI { 2396}
   (( segid W   and resid 540   and name HN ))
   ( segid W   and resid 539   and name HG2%) 
      3.800     3.300     2.200 peak  2396 weight  0.10000E+01 volume  0.30968E-02 ppm1      9.381 ppm2      0.882 CV     1
 OR { 2396}
   (( segid W   and resid 546   and name HN ))
   ( segid W   and resid 539   and name HG2%) 
 ASSI { 2403}
   (( segid W   and resid 538   and name HN ))
   ( segid W   and resid 539   and name HG2%) 
      4.400     4.300     1.600 peak  2403 weight  0.10000E+01 volume  0.63266E-03 ppm1      8.083 ppm2      0.883 CV     1
 OR { 2403}
   (( segid W   and resid 544   and name HN ))
   ( segid W   and resid 539   and name HG2%) 
 ASSI { 2405}
   (( segid W   and resid 544   and name HN ))
   ( segid W   and resid 539   and name HG1%) 
      3.500     2.800     2.500 peak  2405 weight  0.10000E+01 volume  0.17740E-02 ppm1      8.096 ppm2      0.970 CV     1
 OR { 2405}
   (( segid W   and resid 542   and name HN ))
   ( segid W   and resid 539   and name HG1%) 
 OR { 2405}
   (( segid W   and resid 538   and name HN ))
   ( segid W   and resid 539   and name HG1%) 
 ASSI { 2424}
   (( segid W   and resid 538   and name HG1 ))
   ( segid W   and resid 539   and name HG1%) 
      4.800     4.800     1.200 peak  2424 weight  0.10000E+01 volume  0.47693E-03 ppm1      2.083 ppm2      0.969 CV     1
 OR { 2424}
   (( segid W   and resid 538   and name HG2 ))
   ( segid W   and resid 539   and name HG1%) 
 OR { 2424}
   (( segid W   and resid 541   and name HG2 ))
   ( segid W   and resid 539   and name HG1%) 
 ASSI { 2463}
   (( segid W   and resid 537   and name HA ))
   (( segid W   and resid 538   and name HB2 ))
      4.400     4.300     1.600 peak  2463 weight  0.10000E+01 volume  0.35563E-03 ppm1      5.107 ppm2      1.110 CV     1
 OR { 2463}
   (( segid W   and resid 547   and name HA ))
   (( segid W   and resid 538   and name HB2 ))
 ASSI { 2473}
   (( segid W   and resid 538   and name HB1 ))
   ( segid W   and resid 548   and name HD1%) 
      2.400     1.400     1.400 peak  2473 weight  0.10000E+01 volume  0.13275E-01 ppm1      1.293 ppm2      0.361 CV     1
 OR { 2473}
   ( segid P   and resid 235   and name HB% )
   ( segid W   and resid 548   and name HD1%) 
 ASSI { 2474}
   (( segid W   and resid 538   and name HB2 ))
   ( segid W   and resid 548   and name HD1%) 
      1.900     0.900     0.900 peak  2474 weight  0.10000E+01 volume  0.15325E-01 ppm1      1.107 ppm2      0.361 CV     1
 OR { 2474}
   (( segid W   and resid 548   and name HG11)) 
   ( segid W   and resid 548   and name HD1%) 
 ASSI { 2478}
   (( segid W   and resid 537   and name HA ))
   ( segid W   and resid 548   and name HD1%) 
      3.100     2.300     2.300 peak  2478 weight  0.10000E+01 volume  0.35342E-02 ppm1      5.115 ppm2      0.361 CV     1
 OR { 2478}
   (( segid W   and resid 547   and name HA ))
   ( segid W   and resid 548   and name HD1%) 
 ASSI { 2480}
   (( segid W   and resid 548   and name HA ))
   ( segid W   and resid 548   and name HD1%) 
      3.600     2.900     2.400 peak  2480 weight  0.10000E+01 volume  0.33512E-02 ppm1      4.215 ppm2      0.360 CV     1
 OR { 2480}
   (( segid W   and resid 555   and name HB ))
   ( segid W   and resid 548   and name HD1%) 
 ASSI { 2485}
   (( segid P   and resid 232   and name HA ))
   ( segid W   and resid 548   and name HD1%) 
      4.800     4.800     1.200 peak  2485 weight  0.10000E+01 volume  0.31956E-03 ppm1      3.466 ppm2      0.356 CV     1
 OR { 2485}
   (( segid W   and resid 549   and name HA ))
   ( segid W   and resid 548   and name HD1%) 
 ASSI { 2488}
   (( segid W   and resid 538   and name HE21)) 
   ( segid W   and resid 548   and name HD1%) 
      3.200     2.300     2.300 peak  2488 weight  0.10000E+01 volume  0.28265E-02 ppm1      7.547 ppm2      0.360 CV     1
 OR { 2488}
   (( segid W   and resid 550   and name HE1 ))
   ( segid W   and resid 548   and name HD1%) 
 ASSI { 2489}
   (( segid W   and resid 538   and name HE22)) 
   ( segid W   and resid 548   and name HD1%) 
      3.600     3.000     2.400 peak  2489 weight  0.10000E+01 volume  0.16366E-02 ppm1      7.299 ppm2      0.359 CV     1
 OR { 2489}
   (( segid P   and resid 236   and name HN ))
   ( segid W   and resid 548   and name HD1%) 
 ASSI { 2498}
   (( segid W   and resid 549   and name HN ))
   ( segid W   and resid 548   and name HD1%) 
      5.000     5.000     1.000 peak  2498 weight  0.10000E+01 volume  0.84173E-03 ppm1      8.287 ppm2      0.359 CV     1
 OR { 2498}
   (( segid W   and resid 539   and name HN ))
   ( segid W   and resid 548   and name HD1%) 
 ASSI { 2507}
   (( segid W   and resid 548   and name HA ))
   (( segid W   and resid 549   and name HB2 ))
      4.800     4.800     1.200 peak  2507 weight  0.10000E+01 volume  0.55354E-03 ppm1      4.221 ppm2      0.583 CV     1
 OR { 2507}
   (( segid W   and resid 550   and name HA ))
   (( segid W   and resid 549   and name HB2 ))
 ASSI { 2510}
   (( segid W   and resid 547   and name HB1 ))
   (( segid W   and resid 549   and name HB2 ))
      5.300     5.300     0.700 peak  2510 weight  0.10000E+01 volume  0.36436E-03 ppm1      3.148 ppm2      0.604 CV     1
 OR { 2510}
   (( segid W   and resid 554   and name HD1 ))
   (( segid W   and resid 549   and name HB2 ))
 OR { 2510}
   (( segid W   and resid 550   and name HB2 ))
   (( segid W   and resid 549   and name HB2 ))
 ASSI { 2513}
   (( segid W   and resid 554   and name HB2 ))
   (( segid W   and resid 549   and name HB2 ))
      4.200     3.900     1.800 peak  2513 weight  0.10000E+01 volume  0.79430E-03 ppm1      1.630 ppm2      0.588 CV     1
 OR { 2513}
   ( segid W   and resid 556   and name HG2%) 
   (( segid W   and resid 549   and name HB2 ))
 ASSI { 2514}
   (( segid W   and resid 554   and name HG1 ))
   (( segid W   and resid 549   and name HB2 ))
      4.100     3.900     1.900 peak  2514 weight  0.10000E+01 volume  0.12129E-02 ppm1      1.388 ppm2      0.579 CV     1
 OR { 2514}
   ( segid W   and resid 551   and name HB% )
   (( segid W   and resid 549   and name HB2 ))
 ASSI { 2525}
   (( segid W   and resid 559   and name HB1 ))
   ( segid W   and resid 558   and name HG2%) 
      4.200     3.900     1.800 peak  2525 weight  0.10000E+01 volume  0.13946E-02 ppm1      3.099 ppm2      0.562 CV     1
 OR { 2525}
   (( segid W   and resid 557   and name HB2 ))
   ( segid W   and resid 558   and name HG2%) 
 ASSI { 2563}
   (( segid W   and resid 555   and name HN ))
   ( segid W   and resid 548   and name HG2%) 
      4.900     4.900     1.100 peak  2563 weight  0.10000E+01 volume  0.39870E-03 ppm1      8.036 ppm2      0.161 CV     1
 OR { 2563}
   (( segid P   and resid 235   and name HN ))
   ( segid W   and resid 548   and name HG2%) 
 OR { 2563}
   (( segid W   and resid 538   and name HN ))
   ( segid W   and resid 548   and name HG2%) 
 ASSI { 2566}
   (( segid W   and resid 550   and name HE1 ))
   ( segid W   and resid 548   and name HG2%) 
      3.200     2.400     2.400 peak  2566 weight  0.10000E+01 volume  0.38246E-02 ppm1      7.563 ppm2      0.159 CV     1
 OR { 2566}
   (( segid W   and resid 535   and name HE3 ))
   ( segid W   and resid 548   and name HG2%) 
 ASSI { 2567}
   (( segid W   and resid 554   and name HN ))
   ( segid W   and resid 548   and name HG2%) 
      3.900     3.500     2.100 peak  2567 weight  0.10000E+01 volume  0.86864E-03 ppm1      7.407 ppm2      0.159 CV     1
 OR { 2567}
   (( segid W   and resid 553   and name HN ))
   ( segid W   and resid 548   and name HG2%) 
 ASSI { 2576}
   (( segid W   and resid 548   and name HA ))
   ( segid W   and resid 548   and name HG2%) 
      2.400     1.400     1.400 peak  2576 weight  0.10000E+01 volume  0.66265E-02 ppm1      4.215 ppm2      0.162 CV     1
 OR { 2576}
   (( segid W   and resid 550   and name HA ))
   ( segid W   and resid 548   and name HG2%) 
 ASSI { 2577}
   (( segid W   and resid 550   and name HB2 ))
   ( segid W   and resid 548   and name HG2%) 
      4.400     4.400     1.600 peak  2577 weight  0.10000E+01 volume  0.67050E-03 ppm1      3.119 ppm2      0.162 CV     1
 OR { 2577}
   (( segid W   and resid 553   and name HD2 ))
   ( segid W   and resid 548   and name HG2%) 
 ASSI { 2579}
   (( segid W   and resid 549   and name HB1 ))
   ( segid W   and resid 548   and name HG2%) 
      4.400     4.300     1.600 peak  2579 weight  0.10000E+01 volume  0.87927E-03 ppm1      2.068 ppm2      0.163 CV     1
 OR { 2579}
   (( segid W   and resid 538   and name HG2 ))
   ( segid W   and resid 548   and name HG2%) 
 OR { 2579}
   (( segid W   and resid 538   and name HG1 ))
   ( segid W   and resid 548   and name HG2%) 
 ASSI { 2580}
   (( segid P   and resid 232   and name HA ))
   ( segid W   and resid 548   and name HG2%) 
      3.500     2.900     2.500 peak  2580 weight  0.10000E+01 volume  0.10568E-02 ppm1      3.479 ppm2      0.156 CV     1
 OR { 2580}
   (( segid W   and resid 549   and name HA ))
   ( segid W   and resid 548   and name HG2%) 
 ASSI { 2585}
   ( segid P   and resid 235   and name HB% )
   ( segid W   and resid 548   and name HG2%) 
      3.600     3.000     2.400 peak  2585 weight  0.10000E+01 volume  0.23284E-02 ppm1      1.290 ppm2      0.159 CV     1
 OR { 2585}
   (( segid W   and resid 538   and name HB1 ))
   ( segid W   and resid 548   and name HG2%) 
 ASSI { 2653}
   (( segid W   and resid 552   and name HB2 ))
   ( segid W   and resid 551   and name HB% )
      3.800     3.300     2.200 peak  2653 weight  0.10000E+01 volume  0.79703E-03 ppm1      3.445 ppm2      1.401 CV     1
 OR { 2653}
   (( segid W   and resid 549   and name HA ))
   ( segid W   and resid 551   and name HB% )
 ASSI { 2679}
   (( segid W   and resid 535   and name HB2 ))
   (( segid W   and resid 531   and name HB1 ))
      3.700     3.100     2.300 peak  2679 weight  0.10000E+01 volume  0.25634E-02 ppm1      3.301 ppm2      1.469 CV     1
 OR { 2679}
   (( segid W   and resid 532   and name HD1 ))
   (( segid W   and resid 531   and name HB1 ))
 ASSI { 2684}
   (( segid W   and resid 548   and name HG11)) 
   (( segid W   and resid 548   and name HB ))
      2.800     1.800     1.800 peak  2684 weight  0.10000E+01 volume  0.19917E-02 ppm1      1.103 ppm2      1.456 CV     1
 OR { 2684}
   (( segid W   and resid 538   and name HB2 ))
   (( segid W   and resid 548   and name HB ))
 ASSI { 2693}
   (( segid W   and resid 547   and name HA ))
   (( segid W   and resid 548   and name HB ))
      4.100     3.800     1.900 peak  2693 weight  0.10000E+01 volume  0.12180E-02 ppm1      5.124 ppm2      1.451 CV     1
 OR { 2693}
   (( segid W   and resid 537   and name HA ))
   (( segid W   and resid 548   and name HB ))
 ASSI { 2700}
   ( segid W   and resid 546   and name HD% )
   (( segid W   and resid 548   and name HB ))
      5.400     5.400     0.600 peak  2700 weight  0.10000E+01 volume  0.22146E-03 ppm1      7.067 ppm2      1.461 CV     1
 OR { 2700}
   ( segid W   and resid 547   and name HD% )
   (( segid W   and resid 548   and name HB ))
 ASSI { 2701}
   (( segid W   and resid 535   and name HE3 ))
   (( segid W   and resid 548   and name HB ))
      4.800     4.800     1.200 peak  2701 weight  0.10000E+01 volume  0.38537E-03 ppm1      7.559 ppm2      1.446 CV     1
 OR { 2701}
   (( segid W   and resid 550   and name HE1 ))
   (( segid W   and resid 548   and name HB ))
 ASSI { 2702}
   (( segid W   and resid 550   and name HD2 ))
   (( segid W   and resid 548   and name HB ))
      4.200     4.000     1.800 peak  2702 weight  0.10000E+01 volume  0.46532E-03 ppm1      6.781 ppm2      1.459 CV     1
 OR { 2702}
   ( segid W   and resid 546   and name HE% )
   (( segid W   and resid 548   and name HB ))
 ASSI { 2737}
   ( segid W   and resid 546   and name HD% )
   (( segid W   and resid 557   and name HE3 ))
      4.400     4.400     1.600 peak  2737 weight  0.10000E+01 volume  0.61487E-03 ppm1      7.003 ppm2      8.233 CV     1
 OR { 2737}
   (( segid W   and resid 557   and name HH2 ))
   (( segid W   and resid 557   and name HE3 ))
 ASSI { 2755}
   ( segid P   and resid 236   and name HD1%) 
   ( segid W   and resid 548   and name HG2%) 
      3.500     2.800     2.500 peak  2755 weight  0.10000E+01 volume  0.18161E-02 ppm1      0.689 ppm2      0.162 CV     1
 OR { 2755}
   (( segid W   and resid 553   and name HG1 ))
   ( segid W   and resid 548   and name HG2%) 
 ASSI { 2760}
   (( segid W   and resid 549   and name HB2 ))
   (( segid W   and resid 550   and name HD2 ))
      5.500     5.500     0.500 peak  2760 weight  0.10000E+01 volume  0.25569E-03 ppm1      0.563 ppm2      6.795 CV     1
 OR { 2760}
   (( segid W   and resid 548   and name HG12)) 
   (( segid W   and resid 550   and name HD2 ))
 ASSI { 2773}
   (( segid W   and resid 532   and name HB2 ))
   (( segid W   and resid 561   and name HA ))
      5.800     5.800     0.200 peak  2773 weight  0.10000E+01 volume  0.27281E-03 ppm1      1.912 ppm2      3.853 CV     1
 OR { 2773}
   (( segid W   and resid 529   and name HB2 ))
   (( segid W   and resid 561   and name HA ))
 ASSI { 2776}
   (( segid W   and resid 548   and name HG12)) 
   (( segid W   and resid 547   and name HA ))
      4.800     4.800     1.200 peak  2776 weight  0.10000E+01 volume  0.68544E-03 ppm1      0.602 ppm2      5.142 CV     1
 OR { 2776}
   (( segid W   and resid 560   and name HG2 ))
   (( segid W   and resid 547   and name HA ))
 ASSI { 2777}
   (( segid W   and resid 548   and name HG11)) 
   (( segid W   and resid 547   and name HB2 ))
      4.900     4.900     1.100 peak  2777 weight  0.10000E+01 volume  0.26569E-03 ppm1      1.064 ppm2      3.346 CV     1
 OR { 2777}
   ( segid W   and resid 531   and name HD1%) 
   (( segid W   and resid 547   and name HB2 ))
 ASSI { 2811}
   (( segid W   and resid 549   and name HB1 ))
   (( segid W   and resid 548   and name HB ))
      5.500     5.500     0.500 peak  2811 weight  0.10000E+01 volume  0.33552E-03 ppm1      2.099 ppm2      1.431 CV     1
 OR { 2811}
   (( segid W   and resid 538   and name HG1 ))
   (( segid W   and resid 548   and name HB ))
 OR { 2811}
   (( segid W   and resid 538   and name HG2 ))
   (( segid W   and resid 548   and name HB ))
 ASSI { 2814}
   (( segid W   and resid 553   and name HN ))
   (( segid W   and resid 553   and name HB2 ))
      4.500     4.400     1.500 peak  2814 weight  0.10000E+01 volume  0.60133E-03 ppm1      7.375 ppm2      1.644 CV     1
 OR { 2814}
   (( segid W   and resid 554   and name HN ))
   (( segid W   and resid 553   and name HB2 ))
 ASSI { 2819}
   (( segid W   and resid 566   and name HB1 ))
   (( segid W   and resid 557   and name HE3 ))
      4.500     4.500     1.500 peak  2819 weight  0.10000E+01 volume  0.23272E-03 ppm1      4.079 ppm2      8.235 CV     1
 OR { 2819}
   (( segid W   and resid 545   and name HB ))
   (( segid W   and resid 557   and name HE3 ))
 ASSI { 2834}
   (( segid W   and resid 558   and name HG12)) 
   (( segid W   and resid 557   and name HD1 ))
      4.900     4.900     1.100 peak  2834 weight  0.10000E+01 volume  0.23008E-03 ppm1      1.262 ppm2      7.244 CV     1
 OR { 2834}
   (( segid W   and resid 544   and name HD1 ))
   (( segid W   and resid 557   and name HD1 ))
 OR { 2834}
   ( segid P   and resid 227   and name HG2%) 
   (( segid W   and resid 557   and name HD1 ))
 ASSI { 2839}
   (( segid W   and resid 535   and name HZ2 ))
   (( segid W   and resid 535   and name HA ))
      5.100     5.100     0.900 peak  2839 weight  0.10000E+01 volume  0.25018E-03 ppm1      7.434 ppm2      6.257 CV     1
 OR { 2839}
   (( segid W   and resid 554   and name HN ))
   (( segid W   and resid 535   and name HA ))
 ASSI { 2846}
   (( segid W   and resid 539   and name HA ))
   (( segid W   and resid 540   and name HA ))
      3.500     2.800     2.500 peak  2846 weight  0.10000E+01 volume  0.15709E-02 ppm1      4.397 ppm2      4.738 CV     1
 OR { 2846}
   (( segid W   and resid 541   and name HA ))
   (( segid W   and resid 540   and name HA ))
 ASSI { 2850}
   ( segid W   and resid 545   and name HG2%) 
   (( segid W   and resid 545   and name HA ))
      2.400     1.400     1.400 peak  2850 weight  0.10000E+01 volume  0.68666E-02 ppm1      0.841 ppm2      4.708 CV     1
 OR { 2850}
   ( segid W   and resid 539   and name HG2%) 
   (( segid W   and resid 545   and name HA ))
 ASSI { 2852}
   (( segid W   and resid 547   and name HB2 ))
   (( segid W   and resid 548   and name HG11)) 
      4.800     4.800     1.200 peak  2852 weight  0.10000E+01 volume  0.28303E-03 ppm1      3.369 ppm2      1.117 CV     1
 OR { 2852}
   (( segid W   and resid 535   and name HB2 ))
   (( segid W   and resid 548   and name HG11)) 
 ASSI { 2853}
   (( segid W   and resid 547   and name HB1 ))
   (( segid W   and resid 548   and name HG11)) 
      5.400     5.400     0.600 peak  2853 weight  0.10000E+01 volume  0.25224E-03 ppm1      3.142 ppm2      1.121 CV     1
 OR { 2853}
   (( segid W   and resid 546   and name HB1 ))
   (( segid W   and resid 548   and name HG11)) 
 ASSI { 2868}
   (( segid W   and resid 554   and name HN ))
   (( segid W   and resid 555   and name HA ))
      4.800     4.800     1.200 peak  2868 weight  0.10000E+01 volume  0.23065E-03 ppm1      7.379 ppm2      5.514 CV     1
 OR { 2868}
   (( segid W   and resid 553   and name HN ))
   (( segid W   and resid 555   and name HA ))
 ASSI { 2880}
   (( segid W   and resid 549   and name HA ))
   (( segid W   and resid 555   and name HA ))
      5.400     5.400     0.600 peak  2880 weight  0.10000E+01 volume  0.22870E-03 ppm1      3.472 ppm2      5.525 CV     1
 OR { 2880}
   (( segid P   and resid 232   and name HA ))
   (( segid W   and resid 555   and name HA ))
 ASSI {    1}
   ( segid P   and resid 235   and name HB% )
   (( segid W   and resid 546   and name HZ ))
      3.100     2.200     2.200 peak     1 weight  0.10000E+01 volume  0.11321E-02 ppm1      1.276 ppm2      6.991 CV     1
 OR {    1}
   (( segid P   and resid 230   and name HD2 ))
   ( segid W   and resid 546   and name HD% )
 ASSI {    1}
   (( segid P   and resid 235   and name HA ))
   (( segid W   and resid 546   and name HZ ))
      4.700     4.700     1.300 peak     1 weight  0.10000E+01 volume  0.43980E-03 ppm1      4.165 ppm2      6.999 CV     1
 OR {    1}
   (( segid P   and resid 230   and name HA ))
   (( segid W   and resid 546   and name HZ ))
 OR {    1}
   (( segid P   and resid 231   and name HA ))
   ( segid W   and resid 546   and name HD% )
 ASSI {    2}
   ( segid P   and resid 235   and name HB% )
   ( segid W   and resid 546   and name HE% )
      3.100     2.200     2.200 peak     2 weight  0.10000E+01 volume  0.21576E-02 ppm1      1.278 ppm2      6.777 CV     1
 OR {    2}
   (( segid P   and resid 230   and name HD2 ))
   ( segid W   and resid 546   and name HE% )
 ASSI {    3}
   (( segid P   and resid 235   and name HA ))
   ( segid W   and resid 546   and name HE% )
      4.700     4.700     1.300 peak     3 weight  0.10000E+01 volume  0.68113E-03 ppm1      4.181 ppm2      6.772 CV     1
 OR {    3}
   (( segid P   and resid 231   and name HA ))
   ( segid W   and resid 546   and name HE% )
 OR {    3}
   (( segid P   and resid 230   and name HA ))
   ( segid W   and resid 546   and name HE% )
 ASSI {   21}
   ( segid P   and resid 236   and name HD1%) 
   (( segid W   and resid 548   and name HG11)) 
      4.300     4.100     1.700 peak    21 weight  0.10000E+01 volume  0.50934E-03 ppm1      0.666 ppm2      0.606 CV     1
 OR {   21}
   (( segid P   and resid 229   and name HG ))
   (( segid W   and resid 548   and name HG11)) 
 ASSI {   69}
   (( segid P   and resid 235   and name HA ))
   ( segid W   and resid 548   and name HD1%) 
      4.000     3.600     2.000 peak    69 weight  0.10000E+01 volume  0.17058E-02 ppm1      4.170 ppm2      0.376 CV     1
 OR {   69}
   (( segid P   and resid 231   and name HA ))
   ( segid W   and resid 548   and name HD1%) 
 ASSI {  106}
   (( segid P   and resid 235   and name HA ))
   (( segid W   and resid 538   and name HB1 ))
      4.800     4.800     1.200 peak   106 weight  0.10000E+01 volume  0.40628E-03 ppm1      4.122 ppm2      1.108 CV     1
 OR {  106}
   (( segid P   and resid 236   and name HA ))
   (( segid W   and resid 538   and name HB1 ))
 ASSI {    4}
   (( segid P   and resid 230   and name HA ))
   (( segid P   and resid 231   and name HN ))
      2.000     1.000     1.000 peak     4 weight  0.10000E+01 volume  0.25642E-01 ppm1      4.167 ppm2      8.579 CV     1
 OR {    4}
   (( segid P   and resid 231   and name HA ))
   (( segid P   and resid 231   and name HN ))
 ASSI {   11}
   ( segid P   and resid 235   and name HB% )
   (( segid P   and resid 231   and name HN ))
      4.400     4.300     1.600 peak    11 weight  0.10000E+01 volume  0.11658E-02 ppm1      1.261 ppm2      8.583 CV     1
 OR {   11}
   (( segid P   and resid 230   and name HD1 ))
   (( segid P   and resid 231   and name HN ))
 ASSI {   14}
   (( segid P   and resid 231   and name HB2 ))
   (( segid P   and resid 233   and name HN ))
      3.600     3.000     2.400 peak    14 weight  0.10000E+01 volume  0.32014E-02 ppm1      3.891 ppm2      8.135 CV     1
 OR {   14}
   (( segid P   and resid 234   and name HA ))
   (( segid P   and resid 233   and name HN ))
 ASSI {   17}
   (( segid P   and resid 233   and name HB2 ))
   (( segid P   and resid 233   and name HN ))
      3.000     2.100     2.100 peak    17 weight  0.10000E+01 volume  0.10442E-01 ppm1      2.571 ppm2      8.136 CV     1
 OR {   17}
   (( segid P   and resid 232   and name HB2 ))
   (( segid P   and resid 233   and name HN ))
 ASSI {   27}
   (( segid P   and resid 236   and name HG ))
   (( segid P   and resid 235   and name HN ))
      4.300     4.200     1.700 peak    27 weight  0.10000E+01 volume  0.14070E-02 ppm1      1.478 ppm2      8.045 CV     1
 OR {   27}
   (( segid P   and resid 230   and name HG1 ))
   (( segid P   and resid 235   and name HN ))
 ASSI {   39}
   (( segid P   and resid 236   and name HA ))
   (( segid P   and resid 237   and name HN ))
      2.500     1.500     1.500 peak    39 weight  0.10000E+01 volume  0.12023E-01 ppm1      4.120 ppm2      7.560 CV     1
 OR {   39}
   (( segid P   and resid 235   and name HA ))
   (( segid P   and resid 234   and name HN ))
 ASSI {   52}
   (( segid P   and resid 236   and name HA ))
   (( segid P   and resid 236   and name HN ))
      2.900     1.900     1.900 peak    52 weight  0.10000E+01 volume  0.43862E-02 ppm1      4.132 ppm2      7.258 CV     1
 OR {   52}
   (( segid P   and resid 235   and name HA ))
   (( segid P   and resid 236   and name HN ))
 ASSI {   65}
   (( segid P   and resid 233   and name HA ))
   ( segid P   and resid 232   and name HD% )
      3.100     2.300     2.300 peak    65 weight  0.10000E+01 volume  0.28777E-02 ppm1      4.216 ppm2      6.648 CV     1
 OR {   65}
   (( segid P   and resid 231   and name HA ))
   ( segid P   and resid 232   and name HD% )
 ASSI {  107}
   (( segid P   and resid 236   and name HN ))
   (( segid P   and resid 237   and name HN ))
      3.300     2.500     2.500 peak   107 weight  0.10000E+01 volume  0.32118E-02 ppm1      7.252 ppm2      7.559 CV     1
 OR {  107}
   (( segid P   and resid 236   and name HN ))
   (( segid P   and resid 234   and name HN ))
 ASSI {  151}
   (( segid P   and resid 231   and name HN ))
   (( segid P   and resid 234   and name HB2 ))
      3.900     3.500     2.100 peak   151 weight  0.10000E+01 volume  0.31877E-02 ppm1      8.578 ppm2      2.078 CV     1
 OR {  151}
   (( segid P   and resid 231   and name HN ))
   (( segid P   and resid 230   and name HD2 ))
 OR {  151}
   ( segid P   and resid 229   and name HD2%) 
   (( segid P   and resid 230   and name HD2 ))
 ASSI {  175}
   (( segid P   and resid 234   and name HN ))
   ( segid P   and resid 235   and name HB% )
      3.500     2.800     2.500 peak   175 weight  0.10000E+01 volume  0.34499E-02 ppm1      7.568 ppm2      1.263 CV     1
 OR {  175}
   (( segid P   and resid 237   and name HN ))
   ( segid P   and resid 235   and name HB% )
 ASSI {  179}
   (( segid P   and resid 231   and name HN ))
   ( segid P   and resid 235   and name HB% )
      4.400     4.200     1.600 peak   179 weight  0.10000E+01 volume  0.14592E-02 ppm1      8.557 ppm2      1.259 CV     1
 OR {  179}
   (( segid P   and resid 231   and name HN ))
   (( segid P   and resid 230   and name HD1 ))
 OR {  179}
   ( segid P   and resid 229   and name HD2%) 
   (( segid P   and resid 230   and name HD1 ))
 ASSI {  209}
   (( segid P   and resid 231   and name HA ))
   (( segid P   and resid 229   and name HG ))
      3.200     2.300     2.300 peak   209 weight  0.10000E+01 volume  0.39017E-02 ppm1      4.223 ppm2      0.686 CV     1
 OR {  209}
   (( segid P   and resid 233   and name HA ))
   ( segid P   and resid 236   and name HD1%) 
 OR {  209}
   (( segid P   and resid 227   and name HB ))
   (( segid P   and resid 229   and name HB1 ))
 ASSI {  210}
   (( segid P   and resid 236   and name HA ))
   ( segid P   and resid 236   and name HD1%) 
      3.200     2.400     2.400 peak   210 weight  0.10000E+01 volume  0.51834E-02 ppm1      4.123 ppm2      0.686 CV     1
 OR {  210}
   (( segid P   and resid 228   and name HA1 ))
   (( segid P   and resid 229   and name HB1 ))
 ASSI {  211}
   (( segid P   and resid 230   and name HD1 ))
   (( segid P   and resid 229   and name HG ))
      3.600     2.900     2.400 peak   211 weight  0.10000E+01 volume  0.35196E-02 ppm1      1.269 ppm2      0.692 CV     1
 OR {  211}
   (( segid P   and resid 230   and name HD1 ))
   (( segid P   and resid 229   and name HB1 ))
 OR {  211}
   ( segid P   and resid 235   and name HB% )
   ( segid P   and resid 236   and name HD1%) 
 ASSI {  212}
   (( segid P   and resid 229   and name HB2 ))
   (( segid P   and resid 229   and name HB1 ))
      1.800     0.800     0.800 peak   212 weight  0.10000E+01 volume  0.19155E-01 ppm1      1.407 ppm2      0.684 CV     1
 OR {  212}
   (( segid P   and resid 236   and name HB1 ))
   ( segid P   and resid 236   and name HD1%) 
 ASSI {  220}
   (( segid P   and resid 234   and name HA ))
   (( segid P   and resid 230   and name HB1 ))
      4.600     4.600     1.400 peak   220 weight  0.10000E+01 volume  0.13263E-02 ppm1      3.841 ppm2      1.142 CV     1
 OR {  220}
   (( segid P   and resid 228   and name HA2 ))
   (( segid P   and resid 230   and name HB1 ))
 ASSI {  222}
   (( segid P   and resid 234   and name HB2 ))
   (( segid P   and resid 230   and name HB1 ))
      3.600     2.900     2.400 peak   222 weight  0.10000E+01 volume  0.97936E-03 ppm1      2.089 ppm2      1.148 CV     1
 OR {  222}
   (( segid P   and resid 230   and name HD2 ))
   (( segid P   and resid 230   and name HB1 ))
 ASSI {  226}
   (( segid P   and resid 228   and name HA2 ))
   (( segid P   and resid 230   and name HD1 ))
      3.600     2.900     2.400 peak   226 weight  0.10000E+01 volume  0.23197E-02 ppm1      3.869 ppm2      1.269 CV     1
 OR {  226}
   (( segid P   and resid 234   and name HA ))
   ( segid P   and resid 235   and name HB% )
 ASSI {  229}
   (( segid P   and resid 230   and name HB2 ))
   ( segid P   and resid 235   and name HB% )
      3.500     2.800     2.500 peak   229 weight  0.10000E+01 volume  0.39549E-02 ppm1      2.005 ppm2      1.271 CV     1
 OR {  229}
   (( segid P   and resid 230   and name HB2 ))
   (( segid P   and resid 230   and name HD1 ))
 ASSI {  232}
   (( segid P   and resid 233   and name HA ))
   (( segid P   and resid 236   and name HG ))
      3.900     3.400     2.100 peak   232 weight  0.10000E+01 volume  0.21527E-02 ppm1      4.227 ppm2      1.479 CV     1
 OR {  232}
   (( segid P   and resid 231   and name HA ))
   (( segid P   and resid 230   and name HG1 ))
 OR {  232}
   (( segid P   and resid 231   and name HB1 ))
   (( segid P   and resid 230   and name HG1 ))
 ASSI {  233}
   (( segid P   and resid 236   and name HA ))
   (( segid P   and resid 236   and name HG ))
      2.800     1.800     1.800 peak   233 weight  0.10000E+01 volume  0.58651E-02 ppm1      4.124 ppm2      1.469 CV     1
 OR {  233}
   (( segid P   and resid 230   and name HA ))
   (( segid P   and resid 230   and name HG1 ))
 ASSI {  234}
   (( segid P   and resid 227   and name HB ))
   (( segid P   and resid 229   and name HB2 ))
      3.400     2.600     2.600 peak   234 weight  0.10000E+01 volume  0.32559E-02 ppm1      4.225 ppm2      1.405 CV     1
 OR {  234}
   (( segid P   and resid 233   and name HA ))
   (( segid P   and resid 236   and name HB1 ))
 ASSI {  236}
   (( segid P   and resid 228   and name HA2 ))
   (( segid P   and resid 230   and name HG1 ))
      3.100     2.200     2.200 peak   236 weight  0.10000E+01 volume  0.75129E-02 ppm1      3.842 ppm2      1.503 CV     1
 OR {  236}
   (( segid P   and resid 234   and name HA ))
   (( segid P   and resid 230   and name HG1 ))
 ASSI {  239}
   (( segid P   and resid 228   and name HA2 ))
   (( segid P   and resid 229   and name HB2 ))
      3.800     3.200     2.200 peak   239 weight  0.10000E+01 volume  0.21916E-02 ppm1      3.842 ppm2      1.366 CV     1
 OR {  239}
   (( segid P   and resid 234   and name HA ))
   (( segid P   and resid 236   and name HB1 ))
 ASSI {  246}
   (( segid P   and resid 230   and name HD1 ))
   (( segid P   and resid 230   and name HG1 ))
      2.700     1.700     1.700 peak   246 weight  0.10000E+01 volume  0.24576E-02 ppm1      1.240 ppm2      1.514 CV     1
 OR {  246}
   ( segid P   and resid 235   and name HB% )
   (( segid P   and resid 230   and name HG1 ))
 ASSI {  248}
   (( segid P   and resid 230   and name HA ))
   (( segid P   and resid 234   and name HG1 ))
      3.700     3.100     2.300 peak   248 weight  0.10000E+01 volume  0.26537E-02 ppm1      4.158 ppm2      1.871 CV     1
 OR {  248}
   (( segid P   and resid 231   and name HA ))
   (( segid P   and resid 234   and name HG1 ))
 ASSI {  253}
   (( segid P   and resid 231   and name HB2 ))
   (( segid P   and resid 230   and name HB2 ))
      3.600     3.000     2.400 peak   253 weight  0.10000E+01 volume  0.37556E-02 ppm1      3.852 ppm2      2.003 CV     1
 OR {  253}
   (( segid P   and resid 234   and name HA ))
   (( segid P   and resid 230   and name HB2 ))
 ASSI {  262}
   (( segid P   and resid 230   and name HA ))
   (( segid P   and resid 234   and name HG2 ))
      3.500     2.800     2.500 peak   262 weight  0.10000E+01 volume  0.27615E-02 ppm1      4.162 ppm2      2.197 CV     1
 OR {  262}
   (( segid P   and resid 231   and name HA ))
   (( segid P   and resid 234   and name HG2 ))
 ASSI {  269}
   (( segid P   and resid 231   and name HB2 ))
   (( segid P   and resid 233   and name HB2 ))
      4.000     3.600     2.000 peak   269 weight  0.10000E+01 volume  0.11197E-02 ppm1      3.880 ppm2      2.580 CV     1
 OR {  269}
   (( segid P   and resid 234   and name HA ))
   (( segid P   and resid 233   and name HB2 ))
 ASSI {  270}
   (( segid P   and resid 233   and name HA ))
   (( segid P   and resid 233   and name HB2 ))
      2.600     1.600     1.600 peak   270 weight  0.10000E+01 volume  0.11753E-01 ppm1      4.222 ppm2      2.553 CV     1
 OR {  270}
   (( segid P   and resid 231   and name HA ))
   (( segid P   and resid 232   and name HB2 ))
 ASSI {  271}
   (( segid P   and resid 231   and name HB2 ))
   (( segid P   and resid 233   and name HB2 ))
      4.100     3.800     1.900 peak   271 weight  0.10000E+01 volume  0.11059E-02 ppm1      3.883 ppm2      2.545 CV     1
 OR {  271}
   (( segid P   and resid 234   and name HA ))
   (( segid P   and resid 233   and name HB2 ))
 OR {  271}
   (( segid P   and resid 231   and name HB2 ))
   (( segid P   and resid 232   and name HB2 ))
 ASSI {  278}
   (( segid P   and resid 233   and name HA ))
   (( segid P   and resid 232   and name HB1 ))
      4.000     3.600     2.000 peak   278 weight  0.10000E+01 volume  0.19569E-02 ppm1      4.199 ppm2      2.746 CV     1
 OR {  278}
   (( segid P   and resid 231   and name HA ))
   (( segid P   and resid 232   and name HB1 ))
 OR {  278}
   (( segid P   and resid 231   and name HB1 ))
   (( segid P   and resid 232   and name HB1 ))
 ASSI {  285}
   (( segid P   and resid 228   and name HA2 ))
   (( segid P   and resid 227   and name HA ))
      3.100     2.200     2.200 peak   285 weight  0.10000E+01 volume  0.91740E-02 ppm1      3.853 ppm2      3.702 CV     1
 OR {  285}
   (( segid P   and resid 228   and name HA2 ))
   (( segid P   and resid 229   and name HA ))
 ASSI {  294}
   (( segid P   and resid 233   and name HB1 ))
   (( segid P   and resid 234   and name HA ))
      4.000     3.600     2.000 peak   294 weight  0.10000E+01 volume  0.12847E-02 ppm1      2.450 ppm2      3.897 CV     1
 OR {  294}
   (( segid P   and resid 233   and name HB1 ))
   (( segid P   and resid 231   and name HB2 ))
 ASSI {  300}
   (( segid P   and resid 230   and name HD1 ))
   (( segid P   and resid 228   and name HA2 ))
      4.000     3.600     2.000 peak   300 weight  0.10000E+01 volume  0.15919E-02 ppm1      1.266 ppm2      3.865 CV     1
 OR {  300}
   ( segid P   and resid 235   and name HB% )
   (( segid P   and resid 234   and name HA ))
 OR {  300}
   ( segid P   and resid 227   and name HG2%) 
   (( segid P   and resid 228   and name HA2 ))
 ASSI {  313}
   ( segid P   and resid 235   and name HB% )
   (( segid P   and resid 235   and name HA ))
      2.600     1.600     1.600 peak   313 weight  0.10000E+01 volume  0.77262E-02 ppm1      1.267 ppm2      4.157 CV     1
 OR {  313}
   (( segid P   and resid 230   and name HD1 ))
   (( segid P   and resid 230   and name HA ))
 ASSI {  328}
   (( segid P   and resid 233   and name HA ))
   (( segid P   and resid 234   and name HN ))
      3.600     3.000     2.400 peak   328 weight  0.10000E+01 volume  0.20374E-02 ppm1      4.220 ppm2      7.573 CV     1
 OR {  328}
   (( segid P   and resid 231   and name HB1 ))
   (( segid P   and resid 234   and name HN ))
 ASSI {  337}
   (( segid P   and resid 236   and name HA ))
   (( segid P   and resid 237   and name HD2 ))
      4.300     4.100     1.700 peak   337 weight  0.10000E+01 volume  0.86864E-03 ppm1      4.135 ppm2      7.114 CV     1
 OR {  337}
   (( segid P   and resid 235   and name HA ))
   (( segid P   and resid 237   and name HD2 ))
 ASSI {  352}
   (( segid P   and resid 233   and name HA ))
   (( segid P   and resid 235   and name HN ))
      3.600     2.900     2.400 peak   352 weight  0.10000E+01 volume  0.22983E-02 ppm1      4.220 ppm2      8.042 CV     1
 OR {  352}
   (( segid P   and resid 231   and name HA ))
   (( segid P   and resid 235   and name HN ))
 ASSI {  353}
   (( segid P   and resid 230   and name HA ))
   (( segid P   and resid 234   and name HB2 ))
      3.600     3.000     2.400 peak   353 weight  0.10000E+01 volume  0.33369E-02 ppm1      4.160 ppm2      2.072 CV     1
 OR {  353}
   (( segid P   and resid 235   and name HA ))
   (( segid P   and resid 234   and name HB2 ))
 ASSI {  360}
   (( segid P   and resid 237   and name HN ))
   (( segid P   and resid 236   and name HG ))
      4.600     4.600     1.400 peak   360 weight  0.10000E+01 volume  0.11543E-02 ppm1      7.569 ppm2      1.483 CV     1
 OR {  360}
   (( segid P   and resid 234   and name HN ))
   (( segid P   and resid 230   and name HG1 ))
 ASSI {  367}
   (( segid P   and resid 235   and name HA ))
   ( segid P   and resid 235   and name HB% )
      2.100     1.100     1.100 peak   367 weight  0.10000E+01 volume  0.26216E-01 ppm1      4.206 ppm2      1.275 CV     1
 OR {  367}
   (( segid P   and resid 227   and name HB ))
   ( segid P   and resid 227   and name HG2%) 
 ASSI {  369}
   (( segid P   and resid 231   and name HA ))
   (( segid P   and resid 232   and name HB2 ))
      4.000     3.600     2.000 peak   369 weight  0.10000E+01 volume  0.21498E-02 ppm1      4.191 ppm2      2.501 CV     1
 OR {  369}
   (( segid P   and resid 231   and name HB1 ))
   (( segid P   and resid 232   and name HB2 ))
 OR {  369}
   (( segid P   and resid 233   and name HA ))
   (( segid P   and resid 232   and name HB2 ))
 ASSI {  376}
   (( segid P   and resid 231   and name HA ))
   (( segid P   and resid 232   and name HA ))
      4.300     4.100     1.700 peak   376 weight  0.10000E+01 volume  0.12473E-02 ppm1      4.231 ppm2      3.470 CV     1
 OR {  376}
   (( segid P   and resid 233   and name HA ))
   (( segid P   and resid 232   and name HA ))
 ASSI {  387}
   (( segid P   and resid 231   and name HN ))
   (( segid P   and resid 230   and name HD1 ))
      5.200     5.200     0.800 peak   387 weight  0.10000E+01 volume  0.87921E-03 ppm1      8.560 ppm2      1.200 CV     1
 OR {  387}
   ( segid P   and resid 229   and name HD2%) 
   (( segid P   and resid 230   and name HD1 ))
 ASSI {  392}
   (( segid P   and resid 231   and name HA ))
   (( segid P   and resid 232   and name HA ))
      4.300     4.000     1.700 peak   392 weight  0.10000E+01 volume  0.13724E-02 ppm1      4.194 ppm2      3.464 CV     1
 OR {  392}
   (( segid P   and resid 233   and name HA ))
   (( segid P   and resid 232   and name HA ))
 OR {  392}
   (( segid P   and resid 231   and name HB1 ))
   (( segid P   and resid 232   and name HA ))

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY 521          1HT       GLY 521 -13.205  -5.355   4.945
    2   2H    GLY 521          2HT       GLY 521 -12.580  -6.860   5.396
    3   3H    GLY 521          3HT       GLY 521 -11.533  -5.564   5.107
    4   1HA   GLY 521          1HA       GLY 521 -12.816  -6.308   7.511
    5   2HA   GLY 521          2HA       GLY 521 -11.585  -5.081   7.252
    6    HA   PRO 522           HA       PRO 522 -15.732  -2.715   6.495
    7   1HB   PRO 522          2HB       PRO 522 -18.036  -4.102   6.988
    8   2HB   PRO 522          1HB       PRO 522 -17.297  -3.968   5.389
    9   1HG   PRO 522          2HG       PRO 522 -17.122  -6.201   7.375
   10   2HG   PRO 522          1HG       PRO 522 -17.342  -6.281   5.617
   11   1HD   PRO 522          2HD       PRO 522 -14.951  -6.723   6.773
   12   2HD   PRO 522          1HD       PRO 522 -15.095  -5.925   5.193
   13    H    LEU 523           H        LEU 523 -16.498  -1.401   8.067
   14    HA   LEU 523           HA       LEU 523 -17.110  -0.624  10.119
   15   1HB   LEU 523          2HB       LEU 523 -18.278  -3.093  10.034
   16   2HB   LEU 523          1HB       LEU 523 -17.269  -3.233  11.461
   17    HG   LEU 523           HG       LEU 523 -19.515  -2.522  12.064
   18   1HD1  LEU 523          1HD1      LEU 523 -17.109  -1.132  12.711
   19   2HD1  LEU 523          2HD1      LEU 523 -18.521  -1.439  13.722
   20   3HD1  LEU 523          3HD1      LEU 523 -18.455   0.008  12.715
   21   1HD2  LEU 523          1HD2      LEU 523 -19.207   0.131  10.796
   22   2HD2  LEU 523          2HD2      LEU 523 -20.659  -0.821  11.101
   23   3HD2  LEU 523          3HD2      LEU 523 -19.617  -1.216   9.734
   24    H    GLY 524           H        GLY 524 -15.425  -3.641  11.005
   25   1HA   GLY 524          2HA       GLY 524 -13.856  -2.377  12.995
   26   2HA   GLY 524          1HA       GLY 524 -13.591  -3.988  12.345
   27    H    SER 525           H        SER 525 -12.871  -0.577  11.952
   28    HA   SER 525           HA       SER 525 -11.126   0.513  10.981
   29   1HB   SER 525          2HB       SER 525  -9.403  -1.785  10.474
   30   2HB   SER 525          1HB       SER 525  -9.127  -0.380  11.504
   31    HG   SER 525           HG       SER 525  -9.212  -2.300  12.725
   32    H    GLY 526           H        GLY 526  -9.634   0.449   8.954
   33   1HA   GLY 526          2HA       GLY 526  -9.328  -0.065   6.692
   34   2HA   GLY 526          1HA       GLY 526 -10.700  -1.158   6.777
   35    H    GLU 527           H        GLU 527  -9.926   2.311   6.927
   36    HA   GLU 527           HA       GLU 527 -12.492   2.849   5.586
   37   1HB   GLU 527          2HB       GLU 527 -11.467   3.950   7.910
   38   2HB   GLU 527          1HB       GLU 527 -11.113   5.170   6.696
   39   1HG   GLU 527          2HG       GLU 527 -13.365   5.492   6.189
   40   2HG   GLU 527          1HG       GLU 527 -13.846   3.975   6.945
   41    H    GLU 528           H        GLU 528 -10.633   1.970   3.894
   42    HA   GLU 528           HA       GLU 528 -10.193   4.246   2.192
   43   1HB   GLU 528          2HB       GLU 528  -8.087   3.438   3.899
   44   2HB   GLU 528          1HB       GLU 528  -7.660   2.897   2.282
   45   1HG   GLU 528          2HG       GLU 528  -6.826   4.952   2.048
   46   2HG   GLU 528          1HG       GLU 528  -8.503   5.426   1.784
   47    H    GLU 529           H        GLU 529  -8.860   3.424   0.169
   48    HA   GLU 529           HA       GLU 529 -10.394   1.369  -1.000
   49   1HB   GLU 529          2HB       GLU 529  -8.718   3.349  -1.930
   50   2HB   GLU 529          1HB       GLU 529  -7.833   1.876  -2.302
   51   1HG   GLU 529          2HG       GLU 529  -9.316   2.694  -4.126
   52   2HG   GLU 529          1HG       GLU 529  -9.618   1.033  -3.619
   53    HA   PRO 530           HA       PRO 530  -8.292  -2.130   0.931
   54   1HB   PRO 530          2HB       PRO 530  -9.568  -3.424  -1.444
   55   2HB   PRO 530          1HB       PRO 530  -9.540  -3.951   0.243
   56   1HG   PRO 530          2HG       PRO 530 -11.718  -2.820  -0.779
   57   2HG   PRO 530          1HG       PRO 530 -11.197  -2.454   0.876
   58   1HD   PRO 530          2HD       PRO 530 -10.999  -0.791  -1.584
   59   2HD   PRO 530          1HD       PRO 530 -11.230  -0.291   0.103
   60    H    LEU 531           H        LEU 531  -6.308  -2.950   0.601
   61    HA   LEU 531           HA       LEU 531  -4.769  -2.194  -1.672
   62   1HB   LEU 531          2HB       LEU 531  -3.967  -4.390   0.208
   63   2HB   LEU 531          1HB       LEU 531  -2.952  -3.215  -0.609
   64    HG   LEU 531           HG       LEU 531  -4.802  -1.908   1.195
   65   1HD1  LEU 531          1HD1      LEU 531  -4.833  -3.590   2.726
   66   2HD1  LEU 531          2HD1      LEU 531  -3.325  -2.805   3.198
   67   3HD1  LEU 531          3HD1      LEU 531  -3.289  -4.255   2.194
   68   1HD2  LEU 531          1HD2      LEU 531  -2.389  -1.308   2.133
   69   2HD2  LEU 531          2HD2      LEU 531  -3.038  -0.586   0.661
   70   3HD2  LEU 531          3HD2      LEU 531  -1.910  -1.938   0.557
   71    HA   PRO 532           HA       PRO 532  -5.788  -5.277  -4.639
   72   1HB   PRO 532          2HB       PRO 532  -2.833  -5.372  -5.067
   73   2HB   PRO 532          1HB       PRO 532  -4.136  -5.222  -6.251
   74   1HG   PRO 532          2HG       PRO 532  -2.731  -3.092  -5.575
   75   2HG   PRO 532          1HG       PRO 532  -4.487  -2.972  -5.774
   76   1HD   PRO 532          2HD       PRO 532  -2.867  -3.060  -3.263
   77   2HD   PRO 532          1HD       PRO 532  -4.343  -2.139  -3.623
   78    HA   PRO 533           HA       PRO 533  -5.264  -9.465  -3.478
   79   1HB   PRO 533          2HB       PRO 533  -3.241  -9.843  -5.626
   80   2HB   PRO 533          1HB       PRO 533  -4.624 -10.849  -5.193
   81   1HG   PRO 533          2HG       PRO 533  -4.756  -9.209  -7.278
   82   2HG   PRO 533          1HG       PRO 533  -6.151  -9.415  -6.201
   83   1HD   PRO 533          2HD       PRO 533  -4.262  -7.136  -6.442
   84   2HD   PRO 533          1HD       PRO 533  -5.973  -7.140  -5.973
   85    H    ARG 534           H        ARG 534  -2.144  -8.077  -4.284
   86    HA   ARG 534           HA       ARG 534  -1.070  -9.386  -1.880
   87   1HB   ARG 534          2HB       ARG 534   0.118  -9.327  -4.643
   88   2HB   ARG 534          1HB       ARG 534   1.106  -9.614  -3.218
   89   1HG   ARG 534          2HG       ARG 534  -1.325 -11.264  -3.813
   90   2HG   ARG 534          1HG       ARG 534   0.257 -11.645  -4.495
   91   1HD   ARG 534          2HD       ARG 534   0.115 -11.163  -1.575
   92   2HD   ARG 534          1HD       ARG 534  -0.603 -12.655  -2.179
   93    HE   ARG 534           HE       ARG 534   1.912 -12.463  -3.322
   94   1HH1  ARG 534          1HH1      ARG 534   0.548 -12.710  -0.128
   95   2HH1  ARG 534          2HH1      ARG 534   1.910 -13.550   0.532
   96   1HH2  ARG 534          1HH2      ARG 534   3.714 -13.573  -2.464
   97   2HH2  ARG 534          2HH2      ARG 534   3.711 -14.041  -0.796
   98    H    TRP 535           H        TRP 535  -1.755  -7.057  -1.271
   99    HA   TRP 535           HA       TRP 535   0.724  -5.548  -1.205
  100   1HB   TRP 535          2HB       TRP 535  -1.806  -4.450  -2.403
  101   2HB   TRP 535          1HB       TRP 535  -0.501  -3.419  -1.821
  102    HD1  TRP 535           HD       TRP 535  -1.175  -6.119  -4.486
  103    HE1  TRP 535           1HE      TRP 535   0.489  -5.776  -6.416
  104    HE3  TRP 535           3HE      TRP 535   1.684  -2.412  -2.433
  105    HZ2  TRP 535           2HZ      TRP 535   2.723  -4.150  -6.987
  106    HZ3  TRP 535           3HZ      TRP 535   3.573  -1.524  -3.735
  107    HH2  TRP 535           HH       TRP 535   4.081  -2.377  -5.966
  108    H    SER 536           H        SER 536   0.682  -3.715   0.255
  109    HA   SER 536           HA       SER 536  -1.422  -3.708   2.272
  110   1HB   SER 536          2HB       SER 536   1.366  -4.664   2.698
  111   2HB   SER 536          1HB       SER 536   0.660  -3.665   3.963
  112    HG   SER 536           HG       SER 536  -0.565  -5.277   4.521
  113    H    MET 537           H        MET 537  -0.343  -2.034   4.116
  114    HA   MET 537           HA       MET 537   0.934   0.190   2.762
  115   1HB   MET 537          2HB       MET 537  -1.938   0.145   3.443
  116   2HB   MET 537          1HB       MET 537  -1.070   1.596   3.926
  117   1HG   MET 537          2HG       MET 537  -0.345   0.907   1.252
  118   2HG   MET 537          1HG       MET 537  -2.101   0.950   1.395
  119   1HE   MET 537          1HE       MET 537  -3.413   3.768   1.904
  120   2HE   MET 537          2HE       MET 537  -3.169   2.554   0.648
  121   3HE   MET 537          3HE       MET 537  -2.692   4.228   0.362
  122    H    GLN 538           H        GLN 538   2.374   1.043   4.077
  123    HA   GLN 538           HA       GLN 538   1.803   1.284   6.928
  124   1HB   GLN 538          2HB       GLN 538   3.806  -0.520   5.745
  125   2HB   GLN 538          1HB       GLN 538   4.421   0.512   7.028
  126   1HG   GLN 538          2HG       GLN 538   2.054  -0.429   8.063
  127   2HG   GLN 538          1HG       GLN 538   2.685  -1.810   7.167
  128   1HE2  GLN 538          1HE2      GLN 538   5.163  -2.061   7.524
  129   2HE2  GLN 538          2HE2      GLN 538   5.663  -2.021   9.177
  130    H    VAL 539           H        VAL 539   2.752   3.040   7.879
  131    HA   VAL 539           HA       VAL 539   3.830   5.031   6.104
  132    HB   VAL 539           HB       VAL 539   2.299   5.714   7.868
  133   1HG1  VAL 539          1HG1      VAL 539   3.069   5.677  10.241
  134   2HG1  VAL 539          2HG1      VAL 539   4.413   4.653   9.735
  135   3HG1  VAL 539          3HG1      VAL 539   2.754   4.082   9.558
  136   1HG2  VAL 539          1HG2      VAL 539   4.227   7.187   7.061
  137   2HG2  VAL 539          2HG2      VAL 539   4.988   6.824   8.610
  138   3HG2  VAL 539          3HG2      VAL 539   3.429   7.647   8.566
  139    H    ALA 540           H        ALA 540   5.895   5.719   5.921
  140    HA   ALA 540           HA       ALA 540   7.934   4.175   7.361
  141   1HB   ALA 540          1HB       ALA 540   8.909   4.007   5.374
  142   2HB   ALA 540          2HB       ALA 540   9.119   5.758   5.339
  143   3HB   ALA 540          3HB       ALA 540   7.665   5.031   4.654
  144    HA   PRO 541           HA       PRO 541   9.498   7.632   9.603
  145   1HB   PRO 541          2HB       PRO 541  12.186   7.550   9.227
  146   2HB   PRO 541          1HB       PRO 541  11.320   6.374  10.223
  147   1HG   PRO 541          2HG       PRO 541  12.275   6.125   7.398
  148   2HG   PRO 541          1HG       PRO 541  12.358   4.941   8.715
  149   1HD   PRO 541          2HD       PRO 541  10.473   4.832   6.772
  150   2HD   PRO 541          1HD       PRO 541  10.165   4.287   8.433
  151    H    ASN 542           H        ASN 542  10.372   7.428   6.237
  152    HA   ASN 542           HA       ASN 542  11.644   9.842   5.806
  153   1HB   ASN 542          2HB       ASN 542  11.431   8.196   4.042
  154   2HB   ASN 542          1HB       ASN 542   9.680   8.379   4.031
  155   1HD2  ASN 542          1HD2      ASN 542  10.281   8.705   1.701
  156   2HD2  ASN 542          2HD2      ASN 542  10.582  10.328   1.194
  157    H    GLY 543           H        GLY 543   8.256   9.184   6.367
  158   1HA   GLY 543          2HA       GLY 543   7.086  11.098   7.458
  159   2HA   GLY 543          1HA       GLY 543   7.719  12.081   6.148
  160    H    ARG 544           H        ARG 544   7.060   9.351   4.578
  161    HA   ARG 544           HA       ARG 544   4.206   9.959   4.225
  162   1HB   ARG 544          2HB       ARG 544   4.408   9.785   1.834
  163   2HB   ARG 544          1HB       ARG 544   5.569  10.975   2.409
  164   1HG   ARG 544          2HG       ARG 544   6.877   8.477   2.398
  165   2HG   ARG 544          1HG       ARG 544   6.021   8.629   0.861
  166   1HD   ARG 544          2HD       ARG 544   8.397   9.542   0.979
  167   2HD   ARG 544          1HD       ARG 544   7.158  10.592   0.294
  168    HE   ARG 544           HE       ARG 544   7.639  10.952   3.121
  169   1HH1  ARG 544          1HH1      ARG 544   8.490  11.939  -0.111
  170   2HH1  ARG 544          2HH1      ARG 544   9.087  13.488   0.382
  171   1HH2  ARG 544          1HH2      ARG 544   8.422  12.990   3.777
  172   2HH2  ARG 544          2HH2      ARG 544   9.050  14.085   2.591
  173    H    THR 545           H        THR 545   2.955   8.241   3.261
  174    HA   THR 545           HA       THR 545   3.795   5.650   4.265
  175    HB   THR 545           HB       THR 545   1.430   5.014   3.374
  176    HG1  THR 545           1HG      THR 545   0.116   7.072   3.568
  177   1HG2  THR 545          1HG2      THR 545   0.432   6.221   5.456
  178   2HG2  THR 545          2HG2      THR 545   2.104   6.696   5.758
  179   3HG2  THR 545          3HG2      THR 545   1.673   4.987   5.680
  180    H    PHE 546           H        PHE 546   3.938   3.773   3.041
  181    HA   PHE 546           HA       PHE 546   4.121   4.198   0.136
  182   1HB   PHE 546          2HB       PHE 546   5.852   2.324   0.234
  183   2HB   PHE 546          1HB       PHE 546   6.342   3.891   0.866
  184    HD1  PHE 546           1HD      PHE 546   6.082   0.420   1.524
  185    HD2  PHE 546           2HD      PHE 546   6.127   4.239   3.407
  186    HE1  PHE 546           1HE      PHE 546   6.698  -0.644   3.655
  187    HE2  PHE 546           2HE      PHE 546   6.745   3.179   5.541
  188    HZ   PHE 546           HZ       PHE 546   7.031   0.737   5.667
  189    H    PHE 547           H        PHE 547   4.347   1.738  -0.832
  190    HA   PHE 547           HA       PHE 547   2.049   0.236   0.230
  191   1HB   PHE 547          2HB       PHE 547   2.490   1.330  -2.459
  192   2HB   PHE 547          1HB       PHE 547   2.029  -0.367  -2.444
  193    HD1  PHE 547           1HD      PHE 547  -0.165  -1.052  -1.818
  194    HD2  PHE 547           2HD      PHE 547   0.982   3.037  -1.540
  195    HE1  PHE 547           1HE      PHE 547  -2.522  -0.416  -1.517
  196    HE2  PHE 547           2HE      PHE 547  -1.374   3.681  -1.237
  197    HZ   PHE 547           HZ       PHE 547  -3.129   1.953  -1.225
  198    H    ILE 548           H        ILE 548   2.670  -1.672   0.913
  199    HA   ILE 548           HA       ILE 548   5.163  -2.840   0.072
  200    HB   ILE 548           HB       ILE 548   3.017  -3.810   1.956
  201   1HG1  ILE 548          2HG1      ILE 548   5.627  -3.320   3.085
  202   2HG1  ILE 548          1HG1      ILE 548   5.041  -1.892   2.238
  203   1HG2  ILE 548          1HG2      ILE 548   5.273  -5.227   2.592
  204   2HG2  ILE 548          2HG2      ILE 548   5.321  -5.212   0.829
  205   3HG2  ILE 548          3HG2      ILE 548   3.906  -5.849   1.666
  206   1HD1  ILE 548          1HD1      ILE 548   3.460  -3.379   4.318
  207   2HD1  ILE 548          2HD1      ILE 548   3.078  -1.818   3.590
  208   3HD1  ILE 548          3HD1      ILE 548   4.475  -1.978   4.655
  209    H    ASP 549           H        ASP 549   5.475  -4.503  -1.290
  210    HA   ASP 549           HA       ASP 549   3.129  -5.508  -2.740
  211   1HB   ASP 549          2HB       ASP 549   4.767  -4.461  -4.175
  212   2HB   ASP 549          1HB       ASP 549   6.060  -5.439  -3.488
  213    H    HIS 550           H        HIS 550   2.391  -7.391  -2.014
  214    HA   HIS 550           HA       HIS 550   4.092  -9.230  -0.588
  215   1HB   HIS 550          2HB       HIS 550   1.170  -9.236  -1.321
  216   2HB   HIS 550          1HB       HIS 550   1.940 -10.625  -0.561
  217    HD2  HIS 550           2HD      HIS 550   1.544  -6.788   0.311
  218    HE1  HIS 550           1HE      HIS 550   1.470  -9.125   3.840
  219    HE2  HIS 550           2HE      HIS 550   1.107  -6.811   2.869
  220    H    ALA 551           H        ALA 551   2.948  -8.841  -3.821
  221    HA   ALA 551           HA       ALA 551   3.056 -11.481  -4.745
  222   1HB   ALA 551          1HB       ALA 551   3.371 -10.474  -6.984
  223   2HB   ALA 551          2HB       ALA 551   3.601  -8.905  -6.213
  224   3HB   ALA 551          3HB       ALA 551   2.053  -9.738  -6.073
  225    H    SER 552           H        SER 552   5.579  -9.044  -4.382
  226    HA   SER 552           HA       SER 552   7.578 -11.155  -4.800
  227   1HB   SER 552          2HB       SER 552   7.144  -8.932  -6.511
  228   2HB   SER 552          1HB       SER 552   8.661  -8.649  -5.659
  229    HG   SER 552           HG       SER 552   9.536 -10.352  -6.610
  230    H    ARG 553           H        ARG 553   6.341  -9.619  -2.455
  231    HA   ARG 553           HA       ARG 553   6.990  -8.623  -0.509
  232   1HB   ARG 553          2HB       ARG 553   9.649  -9.968  -0.871
  233   2HB   ARG 553          1HB       ARG 553   8.729  -9.723   0.607
  234   1HG   ARG 553          2HG       ARG 553   7.949 -11.781   0.410
  235   2HG   ARG 553          1HG       ARG 553   7.110 -11.291  -1.062
  236   1HD   ARG 553          2HD       ARG 553   9.796 -11.686  -1.781
  237   2HD   ARG 553          1HD       ARG 553   9.360 -13.045  -0.746
  238    HE   ARG 553           HE       ARG 553   7.290 -12.798  -2.533
  239   1HH1  ARG 553          1HH1      ARG 553  10.730 -13.298  -2.732
  240   2HH1  ARG 553          2HH1      ARG 553  10.644 -14.218  -4.197
  241   1HH2  ARG 553          1HH2      ARG 553   7.163 -14.013  -4.463
  242   2HH2  ARG 553          2HH2      ARG 553   8.616 -14.625  -5.181
  243    H    ARG 554           H        ARG 554   7.035  -6.520  -1.611
  244    HA   ARG 554           HA       ARG 554   9.633  -5.268  -1.264
  245   1HB   ARG 554          2HB       ARG 554   8.133  -4.816  -3.839
  246   2HB   ARG 554          1HB       ARG 554   9.755  -4.281  -3.423
  247   1HG   ARG 554          2HG       ARG 554  10.553  -6.569  -3.470
  248   2HG   ARG 554          1HG       ARG 554   8.920  -7.148  -3.808
  249   1HD   ARG 554          2HD       ARG 554   8.906  -6.176  -5.950
  250   2HD   ARG 554          1HD       ARG 554  10.310  -5.172  -5.592
  251    HE   ARG 554           HE       ARG 554  10.828  -8.002  -5.482
  252   1HH1  ARG 554          1HH1      ARG 554  10.705  -5.174  -7.508
  253   2HH1  ARG 554          2HH1      ARG 554  11.790  -5.817  -8.695
  254   1HH2  ARG 554          1HH2      ARG 554  12.258  -8.861  -7.039
  255   2HH2  ARG 554          2HH2      ARG 554  12.672  -7.914  -8.429
  256    H    THR 555           H        THR 555   8.988  -2.795  -2.417
  257    HA   THR 555           HA       THR 555   6.459  -1.912  -1.331
  258    HB   THR 555           HB       THR 555   7.374  -0.272   0.211
  259    HG1  THR 555           1HG      THR 555   9.556  -0.093   0.558
  260   1HG2  THR 555          1HG2      THR 555   6.878  -2.622   0.973
  261   2HG2  THR 555          2HG2      THR 555   8.012  -1.729   1.986
  262   3HG2  THR 555          3HG2      THR 555   8.608  -2.946   0.858
  263    H    THR 556           H        THR 556   5.994   0.333  -1.832
  264    HA   THR 556           HA       THR 556   7.794   1.756  -3.591
  265    HB   THR 556           HB       THR 556   6.809   0.318  -5.245
  266    HG1  THR 556           1HG      THR 556   5.555   1.991  -6.432
  267   1HG2  THR 556          1HG2      THR 556   4.068   1.047  -5.207
  268   2HG2  THR 556          2HG2      THR 556   4.500   0.500  -3.587
  269   3HG2  THR 556          3HG2      THR 556   4.777  -0.551  -4.976
  270    H    TRP 557           H        TRP 557   7.050   3.883  -4.118
  271    HA   TRP 557           HA       TRP 557   5.561   5.065  -1.958
  272   1HB   TRP 557          2HB       TRP 557   7.019   6.160  -4.350
  273   2HB   TRP 557          1HB       TRP 557   6.083   7.200  -3.278
  274    HD1  TRP 557           HD       TRP 557   9.491   6.466  -3.771
  275    HE1  TRP 557           1HE      TRP 557  10.871   6.566  -1.602
  276    HE3  TRP 557           3HE      TRP 557   5.679   6.237  -0.399
  277    HZ2  TRP 557           2HZ      TRP 557  10.396   6.558   1.188
  278    HZ3  TRP 557           3HZ      TRP 557   6.216   6.288   2.006
  279    HH2  TRP 557           HH       TRP 557   8.527   6.444   2.780
  280    H    ILE 558           H        ILE 558   4.881   4.057  -5.177
  281    HA   ILE 558           HA       ILE 558   2.458   5.696  -5.277
  282    HB   ILE 558           HB       ILE 558   3.528   3.910  -7.453
  283   1HG1  ILE 558          2HG1      ILE 558   3.938   6.774  -7.810
  284   2HG1  ILE 558          1HG1      ILE 558   4.809   6.151  -6.410
  285   1HG2  ILE 558          1HG2      ILE 558   1.795   4.596  -8.668
  286   2HG2  ILE 558          2HG2      ILE 558   2.081   6.284  -8.245
  287   3HG2  ILE 558          3HG2      ILE 558   1.117   5.259  -7.182
  288   1HD1  ILE 558          1HD1      ILE 558   6.078   6.171  -8.571
  289   2HD1  ILE 558          2HD1      ILE 558   4.983   4.910  -9.141
  290   3HD1  ILE 558          3HD1      ILE 558   6.017   4.615  -7.743
  291    H    ASP 559           H        ASP 559   0.468   4.885  -5.075
  292    HA   ASP 559           HA       ASP 559   0.124   2.238  -4.087
  293   1HB   ASP 559          2HB       ASP 559  -2.208   2.803  -3.869
  294   2HB   ASP 559          1HB       ASP 559  -1.252   4.198  -3.379
  295    HA   PRO 560           HA       PRO 560  -0.690   0.304  -7.998
  296   1HB   PRO 560          2HB       PRO 560  -1.525  -2.113  -7.001
  297   2HB   PRO 560          1HB       PRO 560   0.163  -1.629  -7.157
  298   1HG   PRO 560          2HG       PRO 560  -1.427  -1.979  -4.749
  299   2HG   PRO 560          1HG       PRO 560   0.313  -1.760  -4.919
  300   1HD   PRO 560          2HD       PRO 560  -1.672   0.178  -4.136
  301   2HD   PRO 560          1HD       PRO 560   0.092   0.335  -4.154
  302    H    ARG 561           H        ARG 561  -3.082   0.423  -5.455
  303    HA   ARG 561           HA       ARG 561  -5.296  -0.643  -6.737
  304   1HB   ARG 561          2HB       ARG 561  -6.561   1.108  -5.277
  305   2HB   ARG 561          1HB       ARG 561  -5.653  -0.180  -4.497
  306   1HG   ARG 561          2HG       ARG 561  -4.027   1.238  -3.732
  307   2HG   ARG 561          1HG       ARG 561  -4.289   2.411  -5.024
  308   1HD   ARG 561          2HD       ARG 561  -5.367   3.593  -3.455
  309   2HD   ARG 561          1HD       ARG 561  -6.688   2.463  -3.739
  310    HE   ARG 561           HE       ARG 561  -5.203   1.220  -1.849
  311   1HH1  ARG 561          1HH1      ARG 561  -6.566   4.414  -2.107
  312   2HH1  ARG 561          2HH1      ARG 561  -6.774   4.605  -0.398
  313   1HH2  ARG 561          1HH2      ARG 561  -5.472   1.461   0.405
  314   2HH2  ARG 561          2HH2      ARG 561  -6.151   2.927   1.030
  315    H    ASN 562           H        ASN 562  -3.641   2.337  -7.310
  316    HA   ASN 562           HA       ASN 562  -5.540   2.948  -9.456
  317   1HB   ASN 562          2HB       ASN 562  -4.447   5.322  -8.064
  318   2HB   ASN 562          1HB       ASN 562  -6.027   5.074  -8.795
  319   1HD2  ASN 562          1HD2      ASN 562  -4.433   5.529  -5.962
  320   2HD2  ASN 562          2HD2      ASN 562  -5.606   4.899  -4.863
  321    H    GLY 563           H        GLY 563  -2.512   4.104  -7.970
  322   1HA   GLY 563          2HA       GLY 563  -0.450   3.646  -9.286
  323   2HA   GLY 563          1HA       GLY 563  -1.355   4.197 -10.688
  324    H    ARG 564           H        ARG 564  -1.481   5.686  -7.505
  325    HA   ARG 564           HA       ARG 564  -0.024   8.005  -8.590
  326   1HB   ARG 564          2HB       ARG 564  -2.550   7.960  -6.942
  327   2HB   ARG 564          1HB       ARG 564  -1.558   9.400  -7.119
  328   1HG   ARG 564          2HG       ARG 564  -2.779   9.871  -8.909
  329   2HG   ARG 564          1HG       ARG 564  -1.940   8.545  -9.718
  330   1HD   ARG 564          2HD       ARG 564  -4.005   7.418  -8.143
  331   2HD   ARG 564          1HD       ARG 564  -4.700   8.771  -9.035
  332    HE   ARG 564           HE       ARG 564  -3.974   6.261 -10.097
  333   1HH1  ARG 564          1HH1      ARG 564  -3.858   9.661 -10.844
  334   2HH1  ARG 564          2HH1      ARG 564  -3.892   9.419 -12.559
  335   1HH2  ARG 564          1HH2      ARG 564  -4.018   5.930 -12.354
  336   2HH2  ARG 564          2HH2      ARG 564  -3.983   7.297 -13.417
  337    H    ALA 565           H        ALA 565   1.359   9.073  -7.213
  338    HA   ALA 565           HA       ALA 565   2.620   7.633  -5.199
  339   1HB   ALA 565          1HB       ALA 565   2.658  10.479  -6.057
  340   2HB   ALA 565          2HB       ALA 565   3.963   9.294  -6.007
  341   3HB   ALA 565          3HB       ALA 565   3.408  10.057  -4.517
  342    H    SER 566           H        SER 566   2.326   7.386  -3.062
  343    HA   SER 566           HA       SER 566  -0.113   7.845  -1.842
  344   1HB   SER 566          2HB       SER 566   2.372   6.711  -1.103
  345   2HB   SER 566          1HB       SER 566   1.951   7.872   0.156
  346    HG   SER 566           HG       SER 566   1.033   5.471  -0.056
  347   1H    THR 227          1HT       THR 227  15.526   9.347   1.599
  348   2H    THR 227          2HT       THR 227  15.830  10.318   0.247
  349   3H    THR 227          3HT       THR 227  16.711   8.893   0.479
  350    HA   THR 227           HA       THR 227  14.215   9.279  -0.803
  351    HB   THR 227           HB       THR 227  14.646   7.042  -1.673
  352    HG1  THR 227           1HG      THR 227  16.704   6.054  -0.861
  353   1HG2  THR 227          1HG2      THR 227  15.924   9.035  -2.530
  354   2HG2  THR 227          2HG2      THR 227  16.701   7.475  -2.805
  355   3HG2  THR 227          3HG2      THR 227  17.266   8.524  -1.505
  356    H    GLY 228           H        GLY 228  15.151   6.511   1.231
  357   1HA   GLY 228          2HA       GLY 228  13.956   5.762   3.148
  358   2HA   GLY 228          1HA       GLY 228  12.576   6.713   2.624
  359    H    LEU 229           H        LEU 229  11.023   5.175   2.568
  360    HA   LEU 229           HA       LEU 229   9.778   3.452   1.766
  361   1HB   LEU 229          2HB       LEU 229  10.251   4.343  -0.427
  362   2HB   LEU 229          1HB       LEU 229  11.814   3.552  -0.458
  363    HG   LEU 229           HG       LEU 229  10.549   1.348  -0.344
  364   1HD1  LEU 229          1HD1      LEU 229   8.315   3.280  -0.511
  365   2HD1  LEU 229          2HD1      LEU 229   8.393   1.696   0.260
  366   3HD1  LEU 229          3HD1      LEU 229   8.189   1.817  -1.487
  367   1HD2  LEU 229          1HD2      LEU 229  11.605   2.230  -2.384
  368   2HD2  LEU 229          2HD2      LEU 229  10.115   3.092  -2.766
  369   3HD2  LEU 229          3HD2      LEU 229  10.129   1.329  -2.732
  370    HA   PRO 230           HA       PRO 230  12.814   0.524   3.746
  371   1HB   PRO 230          2HB       PRO 230  10.366  -0.176   5.250
  372   2HB   PRO 230          1HB       PRO 230  11.986   0.191   5.848
  373   1HG   PRO 230          2HG       PRO 230   9.972   1.925   6.147
  374   2HG   PRO 230          1HG       PRO 230  11.625   2.477   5.815
  375   1HD   PRO 230          2HD       PRO 230   9.291   2.246   3.952
  376   2HD   PRO 230          1HD       PRO 230  10.521   3.522   4.064
  377    H    SER 231           H        SER 231  12.977  -0.817   1.969
  378    HA   SER 231           HA       SER 231  11.000  -2.176   0.631
  379   1HB   SER 231          2HB       SER 231  12.824  -3.917   0.175
  380   2HB   SER 231          1HB       SER 231  13.184  -2.252  -0.281
  381    HG   SER 231           HG       SER 231  14.384  -3.855   1.580
  382    H    TYR 232           H        TYR 232  10.317  -4.406   0.691
  383    HA   TYR 232           HA       TYR 232   9.209  -5.218   3.073
  384   1HB   TYR 232          2HB       TYR 232   8.712  -6.061   0.716
  385   2HB   TYR 232          1HB       TYR 232  10.065  -7.166   0.934
  386    HD1  TYR 232           1HD      TYR 232   9.918  -8.460   3.329
  387    HD2  TYR 232           2HD      TYR 232   6.627  -6.945   1.098
  388    HE1  TYR 232           1HE      TYR 232   8.429 -10.062   4.450
  389    HE2  TYR 232           2HE      TYR 232   5.129  -8.542   2.215
  390    HH   TYR 232           HH       TYR 232   5.917 -10.186   4.976
  391    H    ASP 233           H        ASP 233  10.637  -5.157   4.800
  392    HA   ASP 233           HA       ASP 233  11.886  -7.473   5.590
  393   1HB   ASP 233          2HB       ASP 233  13.486  -6.077   3.676
  394   2HB   ASP 233          1HB       ASP 233  14.293  -5.998   5.239
  395    H    GLU 234           H        GLU 234  11.916  -3.974   5.665
  396    HA   GLU 234           HA       GLU 234  12.753  -4.010   8.475
  397   1HB   GLU 234          2HB       GLU 234  12.301  -1.493   6.917
  398   2HB   GLU 234          1HB       GLU 234  13.410  -1.793   8.248
  399   1HG   GLU 234          2HG       GLU 234  14.242  -3.501   6.208
  400   2HG   GLU 234          1HG       GLU 234  13.852  -1.976   5.412
  401    H    ALA 235           H        ALA 235  10.175  -2.797   6.362
  402    HA   ALA 235           HA       ALA 235   8.610  -1.842   8.589
  403   1HB   ALA 235          1HB       ALA 235   8.415  -0.598   6.578
  404   2HB   ALA 235          2HB       ALA 235   6.880  -1.436   6.804
  405   3HB   ALA 235          3HB       ALA 235   8.054  -2.046   5.638
  406    H    LEU 236           H        LEU 236   8.850  -4.164   9.499
  407    HA   LEU 236           HA       LEU 236   6.336  -5.539   8.931
  408   1HB   LEU 236          2HB       LEU 236   9.072  -6.734   8.723
  409   2HB   LEU 236          1HB       LEU 236   7.727  -7.732   9.239
  410    HG   LEU 236           HG       LEU 236   6.994  -6.295   6.862
  411   1HD1  LEU 236          1HD1      LEU 236   8.599  -7.500   5.346
  412   2HD1  LEU 236          2HD1      LEU 236   9.593  -7.806   6.770
  413   3HD1  LEU 236          3HD1      LEU 236   9.280  -6.149   6.254
  414   1HD2  LEU 236          1HD2      LEU 236   7.360  -9.196   7.580
  415   2HD2  LEU 236          2HD2      LEU 236   6.726  -8.650   6.028
  416   3HD2  LEU 236          3HD2      LEU 236   5.857  -8.275   7.516
  417    H    HIS 237           H        HIS 237   7.134  -3.841  11.086
  418    HA   HIS 237           HA       HIS 237   7.595  -5.642  13.334
  419   1HB   HIS 237          2HB       HIS 237   7.367  -2.628  13.209
  420   2HB   HIS 237          1HB       HIS 237   7.709  -3.548  14.671
  421    HD1  HIS 237           1HD      HIS 237   9.520  -1.449  12.787
  422    HD2  HIS 237           2HD      HIS 237  10.066  -5.496  13.557
  423    HE1  HIS 237           1HE      HIS 237  11.961  -1.889  12.372
  424    HE2  HIS 237           2HE      HIS 237  12.284  -4.326  12.923
  Start of MODEL    2
    1   1H    GLY 521          1HT       GLY 521  -1.382   2.130  15.998
    2   2H    GLY 521          2HT       GLY 521  -1.104   3.760  16.349
    3   3H    GLY 521          3HT       GLY 521   0.136   2.813  15.698
    4   1HA   GLY 521          2HA       GLY 521  -2.117   2.691  14.005
    5   2HA   GLY 521          1HA       GLY 521  -0.491   3.245  13.635
    6    HA   PRO 522           HA       PRO 522  -1.847   7.444  13.565
    7   1HB   PRO 522          2HB       PRO 522  -2.402   7.809  10.952
    8   2HB   PRO 522          1HB       PRO 522  -0.750   7.582  11.539
    9   1HG   PRO 522          2HG       PRO 522  -2.601   5.598  10.272
   10   2HG   PRO 522          1HG       PRO 522  -0.872   5.859   9.980
   11   1HD   PRO 522          2HD       PRO 522  -1.833   3.865  11.569
   12   2HD   PRO 522          1HD       PRO 522  -0.249   4.625  11.816
   13    H    LEU 523           H        LEU 523  -3.679   8.858  12.573
   14    HA   LEU 523           HA       LEU 523  -6.136   7.897  13.589
   15   1HB   LEU 523          2HB       LEU 523  -5.738  10.244  11.737
   16   2HB   LEU 523          1HB       LEU 523  -7.079   9.979  12.833
   17    HG   LEU 523           HG       LEU 523  -4.921   9.952  14.535
   18   1HD1  LEU 523          1HD1      LEU 523  -4.421  12.341  12.833
   19   2HD1  LEU 523          2HD1      LEU 523  -3.687  10.802  12.380
   20   3HD1  LEU 523          3HD1      LEU 523  -3.348  11.510  13.960
   21   1HD2  LEU 523          1HD2      LEU 523  -5.742  12.547  14.631
   22   2HD2  LEU 523          2HD2      LEU 523  -6.570  11.196  15.405
   23   3HD2  LEU 523          3HD2      LEU 523  -7.105  11.770  13.824
   24    H    GLY 524           H        GLY 524  -6.943   6.116  12.589
   25   1HA   GLY 524          2HA       GLY 524  -6.897   5.586   9.839
   26   2HA   GLY 524          1HA       GLY 524  -8.015   4.869  10.989
   27    H    SER 525           H        SER 525  -8.334   5.891   8.179
   28    HA   SER 525           HA       SER 525 -10.938   6.854   8.382
   29   1HB   SER 525          2HB       SER 525  -9.102   8.880   8.964
   30   2HB   SER 525          1HB       SER 525  -9.589   9.183   7.297
   31    HG   SER 525           HG       SER 525 -11.379   8.774   9.463
   32    H    GLY 526           H        GLY 526 -11.950   6.977   6.389
   33   1HA   GLY 526          2HA       GLY 526 -11.981   7.171   4.019
   34   2HA   GLY 526          1HA       GLY 526 -10.261   6.809   3.994
   35    H    GLU 527           H        GLU 527 -12.397   5.598   2.438
   36    HA   GLU 527           HA       GLU 527 -11.756   2.828   3.016
   37   1HB   GLU 527          2HB       GLU 527 -14.177   2.161   2.805
   38   2HB   GLU 527          1HB       GLU 527 -13.757   2.991   4.296
   39   1HG   GLU 527          2HG       GLU 527 -14.564   4.916   2.352
   40   2HG   GLU 527          1HG       GLU 527 -15.776   3.639   2.450
   41    H    GLU 528           H        GLU 528 -10.580   3.644   1.004
   42    HA   GLU 528           HA       GLU 528 -12.198   2.908  -1.328
   43   1HB   GLU 528          2HB       GLU 528 -11.692   5.482  -0.957
   44   2HB   GLU 528          1HB       GLU 528 -10.140   5.043  -1.654
   45   1HG   GLU 528          2HG       GLU 528 -11.005   4.684  -3.712
   46   2HG   GLU 528          1HG       GLU 528 -12.551   4.111  -3.084
   47    H    GLU 529           H        GLU 529 -11.308   1.168  -2.198
   48    HA   GLU 529           HA       GLU 529  -9.788  -0.333  -2.967
   49   1HB   GLU 529          2HB       GLU 529  -8.315   2.252  -3.165
   50   2HB   GLU 529          1HB       GLU 529  -7.414   0.759  -3.400
   51   1HG   GLU 529          2HG       GLU 529  -8.624   0.177  -5.294
   52   2HG   GLU 529          1HG       GLU 529  -9.952   1.267  -4.898
   53    HA   PRO 530           HA       PRO 530  -8.005  -1.052   1.184
   54   1HB   PRO 530          2HB       PRO 530  -8.899  -3.555   1.481
   55   2HB   PRO 530          1HB       PRO 530  -9.959  -2.161   1.733
   56   1HG   PRO 530          2HG       PRO 530  -9.739  -3.976  -0.636
   57   2HG   PRO 530          1HG       PRO 530 -11.190  -3.308   0.131
   58   1HD   PRO 530          2HD       PRO 530 -10.030  -2.282  -2.145
   59   2HD   PRO 530          1HD       PRO 530 -11.038  -1.342  -1.027
   60    H    LEU 531           H        LEU 531  -6.262  -1.042  -0.904
   61    HA   LEU 531           HA       LEU 531  -4.323  -1.968  -1.656
   62   1HB   LEU 531          2HB       LEU 531  -4.508  -4.088   0.445
   63   2HB   LEU 531          1HB       LEU 531  -3.090  -3.266  -0.176
   64    HG   LEU 531           HG       LEU 531  -5.108  -1.693   1.365
   65   1HD1  LEU 531          1HD1      LEU 531  -3.264  -2.404   3.256
   66   2HD1  LEU 531          2HD1      LEU 531  -3.536  -3.922   2.400
   67   3HD1  LEU 531          3HD1      LEU 531  -4.896  -3.059   3.119
   68   1HD2  LEU 531          1HD2      LEU 531  -2.587  -1.220   0.212
   69   2HD2  LEU 531          2HD2      LEU 531  -2.353  -1.200   1.960
   70   3HD2  LEU 531          3HD2      LEU 531  -3.541  -0.130   1.216
   71    HA   PRO 532           HA       PRO 532  -6.167  -4.905  -4.544
   72   1HB   PRO 532          2HB       PRO 532  -3.254  -5.033  -5.250
   73   2HB   PRO 532          1HB       PRO 532  -4.661  -4.912  -6.313
   74   1HG   PRO 532          2HG       PRO 532  -3.222  -2.764  -5.825
   75   2HG   PRO 532          1HG       PRO 532  -4.990  -2.660  -5.848
   76   1HD   PRO 532          2HD       PRO 532  -3.124  -2.662  -3.522
   77   2HD   PRO 532          1HD       PRO 532  -4.653  -1.789  -3.743
   78    HA   PRO 533           HA       PRO 533  -5.645  -9.170  -3.529
   79   1HB   PRO 533          2HB       PRO 533  -3.550  -9.350  -5.650
   80   2HB   PRO 533          1HB       PRO 533  -4.821 -10.508  -5.239
   81   1HG   PRO 533          2HG       PRO 533  -5.139  -8.836  -7.278
   82   2HG   PRO 533          1HG       PRO 533  -6.495  -9.208  -6.197
   83   1HD   PRO 533          2HD       PRO 533  -4.908  -6.734  -6.448
   84   2HD   PRO 533          1HD       PRO 533  -6.561  -6.949  -5.844
   85    H    ARG 534           H        ARG 534  -2.407  -8.283  -4.542
   86    HA   ARG 534           HA       ARG 534  -1.426  -9.206  -1.927
   87   1HB   ARG 534          2HB       ARG 534  -0.171  -9.375  -4.664
   88   2HB   ARG 534          1HB       ARG 534   0.738  -9.647  -3.183
   89   1HG   ARG 534          2HG       ARG 534  -1.767 -11.182  -3.733
   90   2HG   ARG 534          1HG       ARG 534  -0.231 -11.670  -4.450
   91   1HD   ARG 534          2HD       ARG 534  -0.326 -11.117  -1.526
   92   2HD   ARG 534          1HD       ARG 534  -1.036 -12.618  -2.119
   93    HE   ARG 534           HE       ARG 534   1.554 -12.270  -3.198
   94   1HH1  ARG 534          1HH1      ARG 534  -0.085 -13.074  -0.232
   95   2HH1  ARG 534          2HH1      ARG 534   1.222 -14.030   0.383
   96   1HH2  ARG 534          1HH2      ARG 534   3.281 -13.527  -2.399
   97   2HH2  ARG 534          2HH2      ARG 534   3.137 -14.287  -0.849
   98    H    TRP 535           H        TRP 535  -1.918  -6.957  -1.296
   99    HA   TRP 535           HA       TRP 535   0.483  -5.380  -1.481
  100   1HB   TRP 535          2HB       TRP 535  -2.101  -4.488  -2.724
  101   2HB   TRP 535          1HB       TRP 535  -0.901  -3.327  -2.165
  102    HD1  TRP 535           HD       TRP 535  -1.543  -5.873  -4.919
  103    HE1  TRP 535           1HE      TRP 535   0.247  -5.591  -6.743
  104    HE3  TRP 535           3HE      TRP 535   1.544  -2.605  -2.507
  105    HZ2  TRP 535           2HZ      TRP 535   2.662  -4.160  -7.106
  106    HZ3  TRP 535           3HZ      TRP 535   3.576  -1.827  -3.656
  107    HH2  TRP 535           HH       TRP 535   4.122  -2.590  -5.910
  108    H    SER 536           H        SER 536   0.612  -3.708   0.041
  109    HA   SER 536           HA       SER 536  -1.552  -3.415   1.969
  110   1HB   SER 536          2HB       SER 536   1.040  -4.765   2.509
  111   2HB   SER 536          1HB       SER 536   0.460  -3.650   3.740
  112    HG   SER 536           HG       SER 536  -1.380  -4.861   3.960
  113    H    MET 537           H        MET 537  -0.346  -1.913   3.864
  114    HA   MET 537           HA       MET 537   1.252   0.138   2.565
  115   1HB   MET 537          2HB       MET 537  -1.602   0.463   3.312
  116   2HB   MET 537          1HB       MET 537  -0.523   1.801   3.685
  117   1HG   MET 537          2HG       MET 537  -0.034   0.898   1.020
  118   2HG   MET 537          1HG       MET 537  -1.758   1.196   1.239
  119   1HE   MET 537          1HE       MET 537  -2.190   4.616   2.302
  120   2HE   MET 537          2HE       MET 537  -2.818   3.027   1.870
  121   3HE   MET 537          3HE       MET 537  -2.465   4.206   0.608
  122    H    GLN 538           H        GLN 538   2.631   1.097   3.930
  123    HA   GLN 538           HA       GLN 538   2.118   1.057   6.801
  124   1HB   GLN 538          2HB       GLN 538   4.022  -0.670   5.444
  125   2HB   GLN 538          1HB       GLN 538   4.807   0.354   6.636
  126   1HG   GLN 538          2HG       GLN 538   2.334  -0.952   7.534
  127   2HG   GLN 538          1HG       GLN 538   3.683  -2.032   7.182
  128   1HE2  GLN 538          1HE2      GLN 538   5.695  -1.642   8.285
  129   2HE2  GLN 538          2HE2      GLN 538   5.686  -0.923   9.856
  130    H    VAL 539           H        VAL 539   3.073   2.725   7.908
  131    HA   VAL 539           HA       VAL 539   3.999   4.940   6.336
  132    HB   VAL 539           HB       VAL 539   3.955   4.680   9.347
  133   1HG1  VAL 539          1HG1      VAL 539   3.609   7.248   9.011
  134   2HG1  VAL 539          2HG1      VAL 539   4.381   6.945   7.454
  135   3HG1  VAL 539          3HG1      VAL 539   5.229   6.552   8.951
  136   1HG2  VAL 539          1HG2      VAL 539   1.762   4.387   7.875
  137   2HG2  VAL 539          2HG2      VAL 539   1.837   6.149   7.880
  138   3HG2  VAL 539          3HG2      VAL 539   1.756   5.267   9.405
  139    H    ALA 540           H        ALA 540   6.032   5.776   6.167
  140    HA   ALA 540           HA       ALA 540   8.204   4.129   7.280
  141   1HB   ALA 540          1HB       ALA 540   7.707   5.119   4.650
  142   2HB   ALA 540          2HB       ALA 540   9.001   4.060   5.213
  143   3HB   ALA 540          3HB       ALA 540   9.213   5.811   5.254
  144    HA   PRO 541           HA       PRO 541   9.892   7.484   9.579
  145   1HB   PRO 541          2HB       PRO 541  12.553   7.390   9.028
  146   2HB   PRO 541          1HB       PRO 541  11.739   6.197  10.048
  147   1HG   PRO 541          2HG       PRO 541  12.505   6.014   7.159
  148   2HG   PRO 541          1HG       PRO 541  12.662   4.795   8.437
  149   1HD   PRO 541          2HD       PRO 541  10.654   4.743   6.628
  150   2HD   PRO 541          1HD       PRO 541  10.442   4.179   8.298
  151    H    ASN 542           H        ASN 542  10.587   7.368   6.168
  152    HA   ASN 542           HA       ASN 542  11.830   9.800   5.735
  153   1HB   ASN 542          2HB       ASN 542  11.550   8.186   3.952
  154   2HB   ASN 542          1HB       ASN 542   9.798   8.353   4.025
  155   1HD2  ASN 542          1HD2      ASN 542   9.877   8.845   1.788
  156   2HD2  ASN 542          2HD2      ASN 542  10.302  10.430   1.254
  157    H    GLY 543           H        GLY 543   8.423   9.085   6.262
  158   1HA   GLY 543          2HA       GLY 543   7.307  10.981   7.503
  159   2HA   GLY 543          1HA       GLY 543   7.868  11.983   6.173
  160    H    ARG 544           H        ARG 544   7.177   9.289   4.577
  161    HA   ARG 544           HA       ARG 544   4.300   9.867   4.383
  162   1HB   ARG 544          2HB       ARG 544   4.368   9.775   2.000
  163   2HB   ARG 544          1HB       ARG 544   5.615  10.900   2.515
  164   1HG   ARG 544          2HG       ARG 544   6.901   8.440   2.379
  165   2HG   ARG 544          1HG       ARG 544   5.839   8.478   0.969
  166   1HD   ARG 544          2HD       ARG 544   7.912  10.525   1.741
  167   2HD   ARG 544          1HD       ARG 544   7.969   9.417   0.372
  168    HE   ARG 544           HE       ARG 544   5.652  10.949   0.135
  169   1HH1  ARG 544          1HH1      ARG 544   9.107  11.386   0.058
  170   2HH1  ARG 544          2HH1      ARG 544   9.041  12.744  -1.014
  171   1HH2  ARG 544          1HH2      ARG 544   5.555  12.734  -1.279
  172   2HH2  ARG 544          2HH2      ARG 544   7.021  13.511  -1.775
  173    H    THR 545           H        THR 545   2.995   8.156   3.522
  174    HA   THR 545           HA       THR 545   3.868   5.572   4.477
  175    HB   THR 545           HB       THR 545   1.499   4.935   3.557
  176    HG1  THR 545           1HG      THR 545   1.072   7.710   3.953
  177   1HG2  THR 545          1HG2      THR 545   2.226   6.505   5.988
  178   2HG2  THR 545          2HG2      THR 545   1.669   4.837   5.849
  179   3HG2  THR 545          3HG2      THR 545   0.524   6.168   5.673
  180    H    PHE 546           H        PHE 546   4.047   3.699   3.263
  181    HA   PHE 546           HA       PHE 546   4.167   4.090   0.351
  182   1HB   PHE 546          2HB       PHE 546   5.980   2.321   0.404
  183   2HB   PHE 546          1HB       PHE 546   6.419   3.886   1.070
  184    HD1  PHE 546           1HD      PHE 546   6.192   0.380   1.662
  185    HD2  PHE 546           2HD      PHE 546   6.330   4.171   3.596
  186    HE1  PHE 546           1HE      PHE 546   6.872  -0.719   3.756
  187    HE2  PHE 546           2HE      PHE 546   7.012   3.075   5.692
  188    HZ   PHE 546           HZ       PHE 546   7.284   0.631   5.775
  189    H    PHE 547           H        PHE 547   4.482   1.621  -0.577
  190    HA   PHE 547           HA       PHE 547   2.161   0.145   0.456
  191   1HB   PHE 547          2HB       PHE 547   2.994   0.874  -2.277
  192   2HB   PHE 547          1HB       PHE 547   2.478  -0.799  -2.088
  193    HD1  PHE 547           1HD      PHE 547   0.205  -1.353  -1.840
  194    HD2  PHE 547           2HD      PHE 547   1.435   2.716  -1.644
  195    HE1  PHE 547           1HE      PHE 547  -2.148  -0.641  -1.945
  196    HE2  PHE 547           2HE      PHE 547  -0.915   3.435  -1.748
  197    HZ   PHE 547           HZ       PHE 547  -2.710   1.756  -1.899
  198    H    ILE 548           H        ILE 548   2.263  -2.230  -0.026
  199    HA   ILE 548           HA       ILE 548   5.031  -3.227   0.107
  200    HB   ILE 548           HB       ILE 548   2.728  -4.103   1.835
  201   1HG1  ILE 548          2HG1      ILE 548   5.265  -2.580   2.397
  202   2HG1  ILE 548          1HG1      ILE 548   3.605  -2.067   2.674
  203   1HG2  ILE 548          1HG2      ILE 548   4.465  -5.551   2.934
  204   2HG2  ILE 548          2HG2      ILE 548   5.518  -5.201   1.563
  205   3HG2  ILE 548          3HG2      ILE 548   3.993  -6.049   1.309
  206   1HD1  ILE 548          1HD1      ILE 548   3.821  -4.349   4.194
  207   2HD1  ILE 548          2HD1      ILE 548   3.922  -2.689   4.779
  208   3HD1  ILE 548          3HD1      ILE 548   5.395  -3.574   4.380
  209    H    ASP 549           H        ASP 549   5.288  -4.340  -1.717
  210    HA   ASP 549           HA       ASP 549   3.101  -5.770  -2.948
  211   1HB   ASP 549          2HB       ASP 549   4.646  -4.620  -4.401
  212   2HB   ASP 549          1HB       ASP 549   6.017  -5.468  -3.695
  213    H    HIS 550           H        HIS 550   2.509  -7.653  -2.088
  214    HA   HIS 550           HA       HIS 550   4.369  -9.348  -0.687
  215   1HB   HIS 550          2HB       HIS 550   1.451  -9.688  -1.394
  216   2HB   HIS 550          1HB       HIS 550   2.373 -10.858  -0.457
  217    HD2  HIS 550           2HD      HIS 550   1.495  -7.015  -0.091
  218    HE1  HIS 550           1HE      HIS 550   1.617  -8.885   3.706
  219    HE2  HIS 550           2HE      HIS 550   1.357  -6.681   2.479
  220    H    ALA 551           H        ALA 551   3.047  -9.131  -3.877
  221    HA   ALA 551           HA       ALA 551   3.313 -11.762  -4.762
  222   1HB   ALA 551          1HB       ALA 551   2.156 -10.175  -6.112
  223   2HB   ALA 551          2HB       ALA 551   3.547 -10.741  -7.035
  224   3HB   ALA 551          3HB       ALA 551   3.591  -9.161  -6.254
  225    H    SER 552           H        SER 552   5.715  -9.271  -4.279
  226    HA   SER 552           HA       SER 552   7.807 -11.243  -4.814
  227   1HB   SER 552          2HB       SER 552   7.208  -9.095  -6.568
  228   2HB   SER 552          1HB       SER 552   8.731  -8.708  -5.769
  229    HG   SER 552           HG       SER 552   8.846 -10.026  -7.748
  230    H    ARG 553           H        ARG 553   6.565  -9.736  -2.467
  231    HA   ARG 553           HA       ARG 553   7.208  -8.648  -0.569
  232   1HB   ARG 553          2HB       ARG 553   9.947  -9.797  -0.900
  233   2HB   ARG 553          1HB       ARG 553   8.956  -9.676   0.546
  234   1HG   ARG 553          2HG       ARG 553   8.269 -11.506  -1.733
  235   2HG   ARG 553          1HG       ARG 553   9.309 -11.993  -0.393
  236   1HD   ARG 553          2HD       ARG 553   7.594 -11.997   1.118
  237   2HD   ARG 553          1HD       ARG 553   6.689 -10.753   0.257
  238    HE   ARG 553           HE       ARG 553   5.664 -12.392  -0.987
  239   1HH1  ARG 553          1HH1      ARG 553   8.340 -13.761   0.773
  240   2HH1  ARG 553          2HH1      ARG 553   7.909 -15.398   0.410
  241   1HH2  ARG 553          1HH2      ARG 553   5.087 -14.545  -1.469
  242   2HH2  ARG 553          2HH2      ARG 553   6.062 -15.844  -0.865
  243    H    ARG 554           H        ARG 554   7.114  -6.577  -1.726
  244    HA   ARG 554           HA       ARG 554   9.652  -5.182  -1.479
  245   1HB   ARG 554          2HB       ARG 554   8.043  -5.071  -4.037
  246   2HB   ARG 554          1HB       ARG 554   9.484  -4.129  -3.681
  247   1HG   ARG 554          2HG       ARG 554  10.690  -6.348  -3.424
  248   2HG   ARG 554          1HG       ARG 554   9.263  -7.082  -4.159
  249   1HD   ARG 554          2HD       ARG 554  10.137  -6.615  -6.149
  250   2HD   ARG 554          1HD       ARG 554   9.895  -4.906  -5.789
  251    HE   ARG 554           HE       ARG 554  12.338  -6.017  -4.734
  252   1HH1  ARG 554          1HH1      ARG 554  10.809  -4.453  -7.446
  253   2HH1  ARG 554          2HH1      ARG 554  12.292  -3.827  -8.086
  254   1HH2  ARG 554          1HH2      ARG 554  14.295  -5.200  -5.571
  255   2HH2  ARG 554          2HH2      ARG 554  14.273  -4.254  -7.021
  256    H    THR 555           H        THR 555   9.054  -2.728  -2.353
  257    HA   THR 555           HA       THR 555   6.432  -1.969  -1.327
  258    HB   THR 555           HB       THR 555   7.342  -0.267   0.178
  259    HG1  THR 555           1HG      THR 555   9.811  -1.343  -0.705
  260   1HG2  THR 555          1HG2      THR 555   8.352  -3.061   0.721
  261   2HG2  THR 555          2HG2      THR 555   6.773  -2.405   1.156
  262   3HG2  THR 555          3HG2      THR 555   8.231  -1.784   1.931
  263    H    THR 556           H        THR 556   5.874   0.254  -1.778
  264    HA   THR 556           HA       THR 556   7.569   1.723  -3.619
  265    HB   THR 556           HB       THR 556   6.386   0.271  -5.165
  266    HG1  THR 556           1HG      THR 556   6.185   1.958  -6.420
  267   1HG2  THR 556          1HG2      THR 556   3.791   1.440  -4.187
  268   2HG2  THR 556          2HG2      THR 556   4.430  -0.082  -3.568
  269   3HG2  THR 556          3HG2      THR 556   4.036   0.077  -5.280
  270    H    TRP 557           H        TRP 557   6.618   3.832  -4.197
  271    HA   TRP 557           HA       TRP 557   5.355   4.999  -1.856
  272   1HB   TRP 557          2HB       TRP 557   6.730   6.125  -4.280
  273   2HB   TRP 557          1HB       TRP 557   5.834   7.157  -3.170
  274    HD1  TRP 557           HD       TRP 557   9.216   6.428  -3.784
  275    HE1  TRP 557           1HE      TRP 557  10.675   6.509  -1.666
  276    HE3  TRP 557           3HE      TRP 557   5.532   6.153  -0.265
  277    HZ2  TRP 557           2HZ      TRP 557  10.307   6.470   1.134
  278    HZ3  TRP 557           3HZ      TRP 557   6.164   6.179   2.117
  279    HH2  TRP 557           HH       TRP 557   8.505   6.334   2.799
  280    H    ILE 558           H        ILE 558   4.416   3.951  -4.973
  281    HA   ILE 558           HA       ILE 558   1.974   5.591  -4.823
  282    HB   ILE 558           HB       ILE 558   3.143   4.263  -7.263
  283   1HG1  ILE 558          2HG1      ILE 558   4.482   6.172  -6.223
  284   2HG1  ILE 558          1HG1      ILE 558   4.024   6.363  -7.914
  285   1HG2  ILE 558          1HG2      ILE 558   1.542   5.824  -8.432
  286   2HG2  ILE 558          2HG2      ILE 558   0.805   6.108  -6.855
  287   3HG2  ILE 558          3HG2      ILE 558   0.807   4.486  -7.549
  288   1HD1  ILE 558          1HD1      ILE 558   3.496   8.072  -5.708
  289   2HD1  ILE 558          2HD1      ILE 558   1.961   7.496  -6.359
  290   3HD1  ILE 558          3HD1      ILE 558   3.116   8.313  -7.413
  291    H    ASP 559           H        ASP 559  -0.021   4.646  -5.041
  292    HA   ASP 559           HA       ASP 559  -0.198   1.890  -4.292
  293   1HB   ASP 559          2HB       ASP 559  -2.562   2.252  -4.120
  294   2HB   ASP 559          1HB       ASP 559  -1.764   3.690  -3.494
  295    HA   PRO 560           HA       PRO 560  -0.647   0.352  -8.432
  296   1HB   PRO 560          2HB       PRO 560  -1.273  -2.226  -7.773
  297   2HB   PRO 560          1HB       PRO 560   0.360  -1.563  -7.723
  298   1HG   PRO 560          2HG       PRO 560  -1.379  -2.334  -5.517
  299   2HG   PRO 560          1HG       PRO 560   0.346  -1.964  -5.509
  300   1HD   PRO 560          2HD       PRO 560  -1.852  -0.288  -4.689
  301   2HD   PRO 560          1HD       PRO 560  -0.112   0.009  -4.549
  302    H    ARG 561           H        ARG 561  -3.182   0.098  -6.066
  303    HA   ARG 561           HA       ARG 561  -5.214  -1.096  -7.514
  304   1HB   ARG 561          2HB       ARG 561  -6.745   0.341  -6.080
  305   2HB   ARG 561          1HB       ARG 561  -5.596  -0.676  -5.222
  306   1HG   ARG 561          2HG       ARG 561  -4.212   1.672  -5.542
  307   2HG   ARG 561          1HG       ARG 561  -5.866   2.218  -5.260
  308   1HD   ARG 561          2HD       ARG 561  -5.532   0.212  -3.401
  309   2HD   ARG 561          1HD       ARG 561  -3.957   1.007  -3.427
  310    HE   ARG 561           HE       ARG 561  -5.988   2.949  -3.289
  311   1HH1  ARG 561          1HH1      ARG 561  -4.467   0.487  -1.352
  312   2HH1  ARG 561          2HH1      ARG 561  -4.794   1.286   0.150
  313   1HH2  ARG 561          1HH2      ARG 561  -6.424   4.008  -1.320
  314   2HH2  ARG 561          2HH2      ARG 561  -5.907   3.288   0.168
  315    H    ASN 562           H        ASN 562  -3.893   2.123  -7.777
  316    HA   ASN 562           HA       ASN 562  -5.505   2.555 -10.168
  317   1HB   ASN 562          2HB       ASN 562  -6.264   4.735  -9.521
  318   2HB   ASN 562          1HB       ASN 562  -6.710   3.619  -8.235
  319   1HD2  ASN 562          1HD2      ASN 562  -5.916   3.917  -6.227
  320   2HD2  ASN 562          2HD2      ASN 562  -4.872   5.218  -5.777
  321    H    GLY 563           H        GLY 563  -2.984   3.895  -8.048
  322   1HA   GLY 563          2HA       GLY 563  -0.736   4.025  -9.107
  323   2HA   GLY 563          1HA       GLY 563  -1.547   4.748 -10.486
  324    H    ARG 564           H        ARG 564  -2.398   5.525  -7.181
  325    HA   ARG 564           HA       ARG 564  -1.305   8.225  -7.608
  326   1HB   ARG 564          2HB       ARG 564  -3.783   7.233  -6.258
  327   2HB   ARG 564          1HB       ARG 564  -3.040   8.720  -5.683
  328   1HG   ARG 564          2HG       ARG 564  -3.468   9.853  -7.648
  329   2HG   ARG 564          1HG       ARG 564  -3.613   8.369  -8.592
  330   1HD   ARG 564          2HD       ARG 564  -5.794   9.379  -8.294
  331   2HD   ARG 564          1HD       ARG 564  -5.711   7.851  -7.417
  332    HE   ARG 564           HE       ARG 564  -5.938   9.002  -5.441
  333   1HH1  ARG 564          1HH1      ARG 564  -5.264  11.238  -8.026
  334   2HH1  ARG 564          2HH1      ARG 564  -5.590  12.644  -7.069
  335   1HH2  ARG 564          1HH2      ARG 564  -6.369  10.849  -4.172
  336   2HH2  ARG 564          2HH2      ARG 564  -6.217  12.424  -4.877
  337    H    ALA 565           H        ALA 565  -0.234   9.270  -5.911
  338    HA   ALA 565           HA       ALA 565   1.404   7.645  -4.303
  339   1HB   ALA 565          1HB       ALA 565   2.551   9.542  -4.302
  340   2HB   ALA 565          2HB       ALA 565   1.377  10.219  -3.172
  341   3HB   ALA 565          3HB       ALA 565   1.154  10.430  -4.909
  342    H    SER 566           H        SER 566   1.415   7.212  -2.111
  343    HA   SER 566           HA       SER 566  -1.046   6.774  -0.861
  344   1HB   SER 566          2HB       SER 566   1.613   7.044   0.553
  345   2HB   SER 566          1HB       SER 566   0.212   6.109   1.076
  346    HG   SER 566           HG       SER 566   2.138   5.521  -0.832
  347   1H    THR 227          1HT       THR 227  15.273  10.231  -1.145
  348   2H    THR 227          2HT       THR 227  15.842   9.803   0.389
  349   3H    THR 227          3HT       THR 227  14.835  11.149   0.207
  350    HA   THR 227           HA       THR 227  13.034   9.936   0.452
  351    HB   THR 227           HB       THR 227  12.895   7.749  -1.045
  352    HG1  THR 227           1HG      THR 227  15.190   8.021  -1.623
  353   1HG2  THR 227          1HG2      THR 227  11.403   9.497  -1.492
  354   2HG2  THR 227          2HG2      THR 227  12.293   9.308  -3.002
  355   3HG2  THR 227          3HG2      THR 227  12.699  10.622  -1.898
  356    H    GLY 228           H        GLY 228  12.184   7.737   1.155
  357   1HA   GLY 228          2HA       GLY 228  14.167   5.912   2.215
  358   2HA   GLY 228          1HA       GLY 228  13.306   6.841   3.432
  359    H    LEU 229           H        LEU 229  12.997   4.421   0.910
  360    HA   LEU 229           HA       LEU 229  10.349   3.710   1.987
  361   1HB   LEU 229          2HB       LEU 229  10.101   4.271  -0.297
  362   2HB   LEU 229          1HB       LEU 229  11.536   3.380  -0.758
  363    HG   LEU 229           HG       LEU 229  10.386   1.266  -0.287
  364   1HD1  LEU 229          1HD1      LEU 229   8.307   3.116   0.731
  365   2HD1  LEU 229          2HD1      LEU 229   8.809   1.534   1.327
  366   3HD1  LEU 229          3HD1      LEU 229   7.769   1.652  -0.092
  367   1HD2  LEU 229          1HD2      LEU 229   9.411   1.205  -2.319
  368   2HD2  LEU 229          2HD2      LEU 229  10.106   2.819  -2.468
  369   3HD2  LEU 229          3HD2      LEU 229   8.415   2.626  -2.002
  370    HA   PRO 230           HA       PRO 230  13.074   0.364   3.595
  371   1HB   PRO 230          2HB       PRO 230  10.554  -0.107   5.101
  372   2HB   PRO 230          1HB       PRO 230  12.218  -0.024   5.688
  373   1HG   PRO 230          2HG       PRO 230  10.516   1.983   6.119
  374   2HG   PRO 230          1HG       PRO 230  12.223   2.293   5.749
  375   1HD   PRO 230          2HD       PRO 230   9.823   2.547   3.989
  376   2HD   PRO 230          1HD       PRO 230  11.277   3.561   4.069
  377    H    SER 231           H        SER 231  13.245  -1.397   2.366
  378    HA   SER 231           HA       SER 231  11.186  -2.404   0.734
  379   1HB   SER 231          2HB       SER 231  13.893  -3.404   1.550
  380   2HB   SER 231          1HB       SER 231  12.802  -4.467   0.660
  381    HG   SER 231           HG       SER 231  14.120  -3.306  -0.768
  382    H    TYR 232           H        TYR 232  10.428  -4.712   0.804
  383    HA   TYR 232           HA       TYR 232   8.877  -5.172   3.065
  384   1HB   TYR 232          2HB       TYR 232   8.604  -6.127   0.709
  385   2HB   TYR 232          1HB       TYR 232   9.772  -7.355   1.189
  386    HD1  TYR 232           1HD      TYR 232   9.139  -8.406   3.635
  387    HD2  TYR 232           2HD      TYR 232   6.402  -6.771   0.818
  388    HE1  TYR 232           1HE      TYR 232   7.330  -9.743   4.626
  389    HE2  TYR 232           2HE      TYR 232   4.585  -8.103   1.802
  390    HH   TYR 232           HH       TYR 232   4.243  -9.176   4.318
  391    H    ASP 233           H        ASP 233  10.236  -5.020   4.901
  392    HA   ASP 233           HA       ASP 233  11.070  -7.429   6.000
  393   1HB   ASP 233          2HB       ASP 233  13.097  -6.117   4.338
  394   2HB   ASP 233          1HB       ASP 233  13.648  -6.466   5.974
  395    H    GLU 234           H        GLU 234  13.020  -4.489   6.174
  396    HA   GLU 234           HA       GLU 234  12.902  -4.301   8.961
  397   1HB   GLU 234          2HB       GLU 234  13.747  -1.961   8.607
  398   2HB   GLU 234          1HB       GLU 234  14.682  -3.215   7.803
  399   1HG   GLU 234          2HG       GLU 234  12.525  -1.976   6.219
  400   2HG   GLU 234          1HG       GLU 234  13.902  -0.949   6.613
  401    H    ALA 235           H        ALA 235  10.667  -3.267   6.546
  402    HA   ALA 235           HA       ALA 235   9.299  -1.426   8.334
  403   1HB   ALA 235          1HB       ALA 235   7.672  -1.591   6.188
  404   2HB   ALA 235          2HB       ALA 235   9.212  -2.041   5.458
  405   3HB   ALA 235          3HB       ALA 235   9.052  -0.499   6.296
  406    H    LEU 236           H        LEU 236   9.142  -3.581   9.715
  407    HA   LEU 236           HA       LEU 236   6.382  -4.477   9.396
  408   1HB   LEU 236          2HB       LEU 236   8.789  -6.204   9.256
  409   2HB   LEU 236          1HB       LEU 236   7.436  -6.811  10.190
  410    HG   LEU 236           HG       LEU 236   6.274  -5.947   7.816
  411   1HD1  LEU 236          1HD1      LEU 236   8.078  -5.769   6.443
  412   2HD1  LEU 236          2HD1      LEU 236   7.777  -7.500   6.283
  413   3HD1  LEU 236          3HD1      LEU 236   9.040  -6.920   7.369
  414   1HD2  LEU 236          1HD2      LEU 236   5.548  -7.889   8.978
  415   2HD2  LEU 236          2HD2      LEU 236   7.120  -8.668   8.787
  416   3HD2  LEU 236          3HD2      LEU 236   6.086  -8.412   7.381
  417    H    HIS 237           H        HIS 237   7.899  -2.697  11.220
  418    HA   HIS 237           HA       HIS 237   7.670  -4.148  13.757
  419   1HB   HIS 237          2HB       HIS 237   8.961  -1.524  13.017
  420   2HB   HIS 237          1HB       HIS 237   8.736  -2.028  14.688
  421    HD1  HIS 237           1HD      HIS 237  10.066  -4.202  15.435
  422    HD2  HIS 237           2HD      HIS 237  11.120  -2.637  11.732
  423    HE1  HIS 237           1HE      HIS 237  12.277  -5.257  14.864
  424    HE2  HIS 237           2HE      HIS 237  12.857  -4.353  12.585
  Start of MODEL    3
    1   1H    GLY 521          1HT       GLY 521 -25.283   1.512   3.799
    2   2H    GLY 521          2HT       GLY 521 -26.485   0.414   4.259
    3   3H    GLY 521          3HT       GLY 521 -26.860   1.687   3.210
    4   1HA   GLY 521          2HA       GLY 521 -24.955   0.579   1.781
    5   2HA   GLY 521          1HA       GLY 521 -26.638   0.096   1.647
    6    HA   PRO 522           HA       PRO 522 -25.601  -3.977   2.977
    7   1HB   PRO 522          2HB       PRO 522 -25.154  -5.257   0.656
    8   2HB   PRO 522          1HB       PRO 522 -26.760  -4.666   1.101
    9   1HG   PRO 522          2HG       PRO 522 -24.737  -3.453  -0.742
   10   2HG   PRO 522          1HG       PRO 522 -26.492  -3.597  -0.946
   11   1HD   PRO 522          2HD       PRO 522 -25.242  -1.312  -0.107
   12   2HD   PRO 522          1HD       PRO 522 -26.915  -1.732   0.314
   13    H    LEU 523           H        LEU 523 -23.286  -2.176   1.127
   14    HA   LEU 523           HA       LEU 523 -21.131  -3.741   2.346
   15   1HB   LEU 523          2HB       LEU 523 -21.782  -4.036  -0.305
   16   2HB   LEU 523          1HB       LEU 523 -20.521  -2.819  -0.366
   17    HG   LEU 523           HG       LEU 523 -19.940  -5.196   1.294
   18   1HD1  LEU 523          1HD1      LEU 523 -20.670  -5.374  -1.545
   19   2HD1  LEU 523          2HD1      LEU 523 -20.617  -6.625  -0.303
   20   3HD1  LEU 523          3HD1      LEU 523 -19.134  -6.125  -1.116
   21   1HD2  LEU 523          1HD2      LEU 523 -17.745  -4.814   0.601
   22   2HD2  LEU 523          2HD2      LEU 523 -18.429  -3.195   0.751
   23   3HD2  LEU 523          3HD2      LEU 523 -18.253  -3.935  -0.841
   24    H    GLY 524           H        GLY 524 -22.258  -1.163   3.011
   25   1HA   GLY 524          2HA       GLY 524 -20.266   0.764   2.091
   26   2HA   GLY 524          1HA       GLY 524 -21.681   1.120   3.071
   27    H    SER 525           H        SER 525 -19.185  -1.325   3.649
   28    HA   SER 525           HA       SER 525 -18.673  -0.059   6.246
   29   1HB   SER 525          2HB       SER 525 -18.699  -2.837   5.271
   30   2HB   SER 525          1HB       SER 525 -17.353  -2.455   6.344
   31    HG   SER 525           HG       SER 525 -19.753  -3.048   7.081
   32    H    GLY 526           H        GLY 526 -17.544   0.955   3.764
   33   1HA   GLY 526          2HA       GLY 526 -15.140   1.864   4.352
   34   2HA   GLY 526          1HA       GLY 526 -14.721   0.211   3.931
   35    H    GLU 527           H        GLU 527 -14.409   3.086   2.728
   36    HA   GLU 527           HA       GLU 527 -14.736   2.173  -0.029
   37   1HB   GLU 527          2HB       GLU 527 -15.669   4.912   0.831
   38   2HB   GLU 527          1HB       GLU 527 -15.836   4.174  -0.756
   39   1HG   GLU 527          2HG       GLU 527 -17.359   2.504   0.196
   40   2HG   GLU 527          1HG       GLU 527 -17.212   3.285   1.770
   41    H    GLU 528           H        GLU 528 -12.360   2.230   1.275
   42    HA   GLU 528           HA       GLU 528 -11.043   4.667   0.271
   43   1HB   GLU 528          2HB       GLU 528 -10.967   4.033   2.787
   44   2HB   GLU 528          1HB       GLU 528  -9.805   2.814   2.282
   45   1HG   GLU 528          2HG       GLU 528  -8.179   4.308   2.203
   46   2HG   GLU 528          1HG       GLU 528  -9.121   5.353   1.141
   47    H    GLU 529           H        GLU 529 -11.723   2.063  -1.115
   48    HA   GLU 529           HA       GLU 529 -10.775   0.565  -2.547
   49   1HB   GLU 529          2HB       GLU 529 -10.063   2.943  -3.381
   50   2HB   GLU 529          1HB       GLU 529  -8.459   2.436  -2.868
   51   1HG   GLU 529          2HG       GLU 529  -8.647   1.966  -5.180
   52   2HG   GLU 529          1HG       GLU 529  -8.715   0.426  -4.324
   53    HA   PRO 530           HA       PRO 530  -8.077  -1.173   0.850
   54   1HB   PRO 530          2HB       PRO 530  -9.123  -3.551  -0.628
   55   2HB   PRO 530          1HB       PRO 530  -8.915  -3.311   1.111
   56   1HG   PRO 530          2HG       PRO 530 -11.327  -3.146  -0.004
   57   2HG   PRO 530          1HG       PRO 530 -10.848  -2.047   1.303
   58   1HD   PRO 530          2HD       PRO 530 -11.130  -1.516  -1.610
   59   2HD   PRO 530          1HD       PRO 530 -11.385  -0.428  -0.231
   60    H    LEU 531           H        LEU 531  -6.203  -2.599   0.646
   61    HA   LEU 531           HA       LEU 531  -4.652  -1.997  -1.663
   62   1HB   LEU 531          2HB       LEU 531  -3.919  -4.141   0.298
   63   2HB   LEU 531          1HB       LEU 531  -2.869  -3.038  -0.571
   64    HG   LEU 531           HG       LEU 531  -4.644  -1.579   1.180
   65   1HD1  LEU 531          1HD1      LEU 531  -3.573  -4.056   2.224
   66   2HD1  LEU 531          2HD1      LEU 531  -4.713  -2.922   2.949
   67   3HD1  LEU 531          3HD1      LEU 531  -2.977  -2.653   3.112
   68   1HD2  LEU 531          1HD2      LEU 531  -1.778  -1.759   0.507
   69   2HD2  LEU 531          2HD2      LEU 531  -2.166  -1.127   2.108
   70   3HD2  LEU 531          3HD2      LEU 531  -2.823  -0.348   0.669
   71    HA   PRO 532           HA       PRO 532  -5.887  -5.159  -4.492
   72   1HB   PRO 532          2HB       PRO 532  -2.941  -5.261  -5.022
   73   2HB   PRO 532          1HB       PRO 532  -4.285  -5.179  -6.167
   74   1HG   PRO 532          2HG       PRO 532  -2.902  -3.002  -5.650
   75   2HG   PRO 532          1HG       PRO 532  -4.669  -2.917  -5.754
   76   1HD   PRO 532          2HD       PRO 532  -2.913  -2.894  -3.333
   77   2HD   PRO 532          1HD       PRO 532  -4.411  -1.994  -3.649
   78    HA   PRO 533           HA       PRO 533  -5.334  -9.330  -3.241
   79   1HB   PRO 533          2HB       PRO 533  -3.340  -9.748  -5.411
   80   2HB   PRO 533          1HB       PRO 533  -4.701 -10.764  -4.927
   81   1HG   PRO 533          2HG       PRO 533  -4.898  -9.180  -7.049
   82   2HG   PRO 533          1HG       PRO 533  -6.267  -9.378  -5.938
   83   1HD   PRO 533          2HD       PRO 533  -4.428  -7.078  -6.289
   84   2HD   PRO 533          1HD       PRO 533  -6.123  -7.096  -5.768
   85    H    ARG 534           H        ARG 534  -2.164  -8.239  -4.307
   86    HA   ARG 534           HA       ARG 534  -1.068  -9.359  -1.812
   87   1HB   ARG 534          2HB       ARG 534   0.073  -9.343  -4.595
   88   2HB   ARG 534          1HB       ARG 534   1.086  -9.593  -3.180
   89   1HG   ARG 534          2HG       ARG 534  -1.344 -11.276  -3.533
   90   2HG   ARG 534          1HG       ARG 534   0.096 -11.622  -4.492
   91   1HD   ARG 534          2HD       ARG 534   1.419 -11.843  -2.470
   92   2HD   ARG 534          1HD       ARG 534   0.024 -11.405  -1.486
   93    HE   ARG 534           HE       ARG 534  -0.829 -13.576  -2.871
   94   1HH1  ARG 534          1HH1      ARG 534   1.941 -12.926  -0.864
   95   2HH1  ARG 534          2HH1      ARG 534   2.084 -14.559  -0.307
   96   1HH2  ARG 534          1HH2      ARG 534  -0.650 -15.732  -2.144
   97   2HH2  ARG 534          2HH2      ARG 534   0.611 -16.156  -1.035
   98    H    TRP 535           H        TRP 535  -1.702  -7.075  -1.146
   99    HA   TRP 535           HA       TRP 535   0.725  -5.513  -1.168
  100   1HB   TRP 535          2HB       TRP 535  -1.836  -4.481  -2.369
  101   2HB   TRP 535          1HB       TRP 535  -0.546  -3.416  -1.818
  102    HD1  TRP 535           HD       TRP 535  -1.286  -6.062  -4.504
  103    HE1  TRP 535           1HE      TRP 535   0.402  -5.763  -6.423
  104    HE3  TRP 535           3HE      TRP 535   1.733  -2.541  -2.370
  105    HZ2  TRP 535           2HZ      TRP 535   2.719  -4.230  -6.953
  106    HZ3  TRP 535           3HZ      TRP 535   3.670  -1.713  -3.643
  107    HH2  TRP 535           HH       TRP 535   4.151  -2.544  -5.889
  108    H    SER 536           H        SER 536   0.763  -3.815   0.378
  109    HA   SER 536           HA       SER 536  -1.406  -3.741   2.329
  110   1HB   SER 536          2HB       SER 536   1.333  -4.817   2.812
  111   2HB   SER 536          1HB       SER 536   0.604  -3.847   4.086
  112    HG   SER 536           HG       SER 536  -0.794  -5.977   2.872
  113    H    MET 537           H        MET 537  -0.306  -2.168   4.247
  114    HA   MET 537           HA       MET 537   1.078   0.041   2.966
  115   1HB   MET 537          2HB       MET 537  -1.789   0.074   3.649
  116   2HB   MET 537          1HB       MET 537  -0.873   1.469   4.204
  117   1HG   MET 537          2HG       MET 537  -0.273   0.758   1.454
  118   2HG   MET 537          1HG       MET 537  -1.977   1.132   1.711
  119   1HE   MET 537          1HE       MET 537  -2.968   2.953   2.142
  120   2HE   MET 537          2HE       MET 537  -2.380   4.475   1.470
  121   3HE   MET 537          3HE       MET 537  -2.327   4.202   3.212
  122    H    GLN 538           H        GLN 538   2.228   1.302   4.348
  123    HA   GLN 538           HA       GLN 538   1.780   1.351   7.168
  124   1HB   GLN 538          2HB       GLN 538   3.656  -0.608   6.044
  125   2HB   GLN 538          1HB       GLN 538   4.360   0.416   7.290
  126   1HG   GLN 538          2HG       GLN 538   1.836  -0.406   8.234
  127   2HG   GLN 538          1HG       GLN 538   2.634  -1.833   7.572
  128   1HE2  GLN 538          1HE2      GLN 538   4.688  -2.427   8.414
  129   2HE2  GLN 538          2HE2      GLN 538   5.151  -1.961  10.012
  130    H    VAL 539           H        VAL 539   2.690   3.134   8.049
  131    HA   VAL 539           HA       VAL 539   3.863   5.059   6.326
  132    HB   VAL 539           HB       VAL 539   3.821   5.142   9.341
  133   1HG1  VAL 539          1HG1      VAL 539   4.308   7.130   7.179
  134   2HG1  VAL 539          2HG1      VAL 539   5.119   6.928   8.733
  135   3HG1  VAL 539          3HG1      VAL 539   3.516   7.663   8.663
  136   1HG2  VAL 539          1HG2      VAL 539   1.625   5.587   9.361
  137   2HG2  VAL 539          2HG2      VAL 539   1.606   4.835   7.766
  138   3HG2  VAL 539          3HG2      VAL 539   1.721   6.588   7.912
  139    H    ALA 540           H        ALA 540   5.932   5.791   6.141
  140    HA   ALA 540           HA       ALA 540   8.008   4.111   7.375
  141   1HB   ALA 540          1HB       ALA 540   8.860   3.928   5.335
  142   2HB   ALA 540          2HB       ALA 540   9.096   5.675   5.280
  143   3HB   ALA 540          3HB       ALA 540   7.588   4.971   4.696
  144    HA   PRO 541           HA       PRO 541   9.841   7.511   9.490
  145   1HB   PRO 541          2HB       PRO 541  12.490   7.322   8.963
  146   2HB   PRO 541          1HB       PRO 541  11.636   6.160   9.986
  147   1HG   PRO 541          2HG       PRO 541  12.421   5.930   7.107
  148   2HG   PRO 541          1HG       PRO 541  12.535   4.719   8.398
  149   1HD   PRO 541          2HD       PRO 541  10.534   4.731   6.561
  150   2HD   PRO 541          1HD       PRO 541  10.313   4.140   8.220
  151    H    ASN 542           H        ASN 542  10.323   7.331   6.064
  152    HA   ASN 542           HA       ASN 542  11.706   9.724   5.614
  153   1HB   ASN 542          2HB       ASN 542  11.444   8.095   3.844
  154   2HB   ASN 542          1HB       ASN 542   9.692   8.277   3.881
  155   1HD2  ASN 542          1HD2      ASN 542   9.462   8.933   1.793
  156   2HD2  ASN 542          2HD2      ASN 542  10.049  10.444   1.196
  157    H    GLY 543           H        GLY 543   8.294   9.076   6.162
  158   1HA   GLY 543          2HA       GLY 543   7.226  11.055   7.328
  159   2HA   GLY 543          1HA       GLY 543   7.771  11.973   5.934
  160    H    ARG 544           H        ARG 544   7.054   9.281   4.429
  161    HA   ARG 544           HA       ARG 544   4.163   9.795   4.317
  162   1HB   ARG 544          2HB       ARG 544   4.122   9.910   1.998
  163   2HB   ARG 544          1HB       ARG 544   5.590  10.786   2.399
  164   1HG   ARG 544          2HG       ARG 544   6.843   8.632   1.954
  165   2HG   ARG 544          1HG       ARG 544   5.333   8.011   1.285
  166   1HD   ARG 544          2HD       ARG 544   7.095  10.204   0.275
  167   2HD   ARG 544          1HD       ARG 544   6.421   8.825  -0.592
  168    HE   ARG 544           HE       ARG 544   5.225  11.388  -0.261
  169   1HH1  ARG 544          1HH1      ARG 544   4.514   7.992  -0.562
  170   2HH1  ARG 544          2HH1      ARG 544   2.927   8.249  -1.209
  171   1HH2  ARG 544          1HH2      ARG 544   3.138  11.738  -1.110
  172   2HH2  ARG 544          2HH2      ARG 544   2.146  10.379  -1.521
  173    H    THR 545           H        THR 545   2.882   8.029   3.436
  174    HA   THR 545           HA       THR 545   3.810   5.495   4.460
  175    HB   THR 545           HB       THR 545   1.435   4.864   3.357
  176    HG1  THR 545           1HG      THR 545   0.094   6.603   3.313
  177   1HG2  THR 545          1HG2      THR 545   0.435   5.331   5.568
  178   2HG2  THR 545          2HG2      THR 545   1.862   6.278   5.993
  179   3HG2  THR 545          3HG2      THR 545   2.010   4.547   5.694
  180    H    PHE 546           H        PHE 546   4.050   3.588   3.303
  181    HA   PHE 546           HA       PHE 546   4.217   3.911   0.385
  182   1HB   PHE 546          2HB       PHE 546   6.071   2.197   0.499
  183   2HB   PHE 546          1HB       PHE 546   6.463   3.783   1.146
  184    HD1  PHE 546           1HD      PHE 546   6.130   4.069   3.717
  185    HD2  PHE 546           2HD      PHE 546   6.520   0.318   1.743
  186    HE1  PHE 546           1HE      PHE 546   6.810   3.022   5.839
  187    HE2  PHE 546           2HE      PHE 546   7.198  -0.733   3.861
  188    HZ   PHE 546           HZ       PHE 546   7.344   0.620   5.914
  189    H    PHE 547           H        PHE 547   4.029   1.876  -0.836
  190    HA   PHE 547           HA       PHE 547   2.039   0.124   0.422
  191   1HB   PHE 547          2HB       PHE 547   2.404   1.202  -2.275
  192   2HB   PHE 547          1HB       PHE 547   2.044  -0.521  -2.256
  193    HD1  PHE 547           1HD      PHE 547  -0.143  -1.266  -1.975
  194    HD2  PHE 547           2HD      PHE 547   0.845   2.753  -0.984
  195    HE1  PHE 547           1HE      PHE 547  -2.529  -0.763  -1.652
  196    HE2  PHE 547           2HE      PHE 547  -1.540   3.263  -0.659
  197    HZ   PHE 547           HZ       PHE 547  -3.231   1.504  -0.992
  198    H    ILE 548           H        ILE 548   2.598  -1.839   1.009
  199    HA   ILE 548           HA       ILE 548   5.179  -2.909   0.306
  200    HB   ILE 548           HB       ILE 548   2.951  -4.105   1.961
  201   1HG1  ILE 548          2HG1      ILE 548   5.176  -3.485   3.551
  202   2HG1  ILE 548          1HG1      ILE 548   4.958  -2.090   2.497
  203   1HG2  ILE 548          1HG2      ILE 548   4.185  -5.959   1.362
  204   2HG2  ILE 548          2HG2      ILE 548   4.996  -5.455   2.846
  205   3HG2  ILE 548          3HG2      ILE 548   5.698  -5.053   1.279
  206   1HD1  ILE 548          1HD1      ILE 548   2.402  -2.644   3.348
  207   2HD1  ILE 548          2HD1      ILE 548   3.469  -1.394   3.989
  208   3HD1  ILE 548          3HD1      ILE 548   3.391  -2.973   4.770
  209    H    ASP 549           H        ASP 549   5.625  -4.472  -1.135
  210    HA   ASP 549           HA       ASP 549   3.366  -5.581  -2.661
  211   1HB   ASP 549          2HB       ASP 549   4.849  -4.236  -4.028
  212   2HB   ASP 549          1HB       ASP 549   6.248  -5.147  -3.468
  213    H    HIS 550           H        HIS 550   2.864  -7.534  -1.900
  214    HA   HIS 550           HA       HIS 550   4.825  -9.284  -0.735
  215   1HB   HIS 550          2HB       HIS 550   1.920  -9.767  -1.426
  216   2HB   HIS 550          1HB       HIS 550   2.929 -10.846  -0.469
  217    HD2  HIS 550           2HD      HIS 550   1.991  -7.013  -0.128
  218    HE1  HIS 550           1HE      HIS 550   1.805  -8.931   3.640
  219    HE2  HIS 550           2HE      HIS 550   1.658  -6.710   2.426
  220    H    ALA 551           H        ALA 551   3.353  -8.866  -3.845
  221    HA   ALA 551           HA       ALA 551   3.677 -11.391  -4.962
  222   1HB   ALA 551          1HB       ALA 551   2.972  -8.829  -5.873
  223   2HB   ALA 551          2HB       ALA 551   2.830 -10.361  -6.735
  224   3HB   ALA 551          3HB       ALA 551   4.286  -9.381  -6.912
  225    H    SER 552           H        SER 552   6.041  -8.969  -4.195
  226    HA   SER 552           HA       SER 552   8.149 -10.803  -5.029
  227   1HB   SER 552          2HB       SER 552   7.463  -8.492  -6.536
  228   2HB   SER 552          1HB       SER 552   9.013  -8.181  -5.757
  229    HG   SER 552           HG       SER 552   9.842 -10.014  -6.718
  230    H    ARG 553           H        ARG 553   6.927  -9.444  -2.524
  231    HA   ARG 553           HA       ARG 553   7.643  -8.567  -0.544
  232   1HB   ARG 553          2HB       ARG 553   9.915 -10.263  -1.497
  233   2HB   ARG 553          1HB       ARG 553  10.119  -9.304  -0.038
  234   1HG   ARG 553          2HG       ARG 553   9.429 -11.441   0.666
  235   2HG   ARG 553          1HG       ARG 553   8.018 -10.396   0.830
  236   1HD   ARG 553          2HD       ARG 553   7.106 -11.242  -1.244
  237   2HD   ARG 553          1HD       ARG 553   8.557 -12.204  -1.523
  238    HE   ARG 553           HE       ARG 553   6.334 -12.907   0.106
  239   1HH1  ARG 553          1HH1      ARG 553   9.792 -13.216  -0.163
  240   2HH1  ARG 553          2HH1      ARG 553   9.860 -14.698   0.732
  241   1HH2  ARG 553          1HH2      ARG 553   6.410 -14.858   1.286
  242   2HH2  ARG 553          2HH2      ARG 553   7.937 -15.631   1.556
  243    H    ARG 554           H        ARG 554   7.497  -6.462  -1.872
  244    HA   ARG 554           HA       ARG 554  10.017  -5.027  -1.478
  245   1HB   ARG 554          2HB       ARG 554   8.355  -4.514  -3.932
  246   2HB   ARG 554          1HB       ARG 554  10.002  -3.997  -3.598
  247   1HG   ARG 554          2HG       ARG 554   9.230  -6.879  -3.952
  248   2HG   ARG 554          1HG       ARG 554   9.748  -5.843  -5.282
  249   1HD   ARG 554          2HD       ARG 554  11.603  -5.566  -3.140
  250   2HD   ARG 554          1HD       ARG 554  11.349  -7.285  -3.439
  251    HE   ARG 554           HE       ARG 554  11.796  -5.770  -5.834
  252   1HH1  ARG 554          1HH1      ARG 554  13.332  -7.420  -3.179
  253   2HH1  ARG 554          2HH1      ARG 554  14.803  -7.714  -4.044
  254   1HH2  ARG 554          1HH2      ARG 554  13.727  -6.154  -6.983
  255   2HH2  ARG 554          2HH2      ARG 554  15.028  -6.994  -6.207
  256    H    THR 555           H        THR 555   9.135  -2.571  -2.518
  257    HA   THR 555           HA       THR 555   6.628  -1.872  -1.268
  258    HB   THR 555           HB       THR 555   7.640  -0.133   0.205
  259    HG1  THR 555           1HG      THR 555   9.787  -0.008   0.440
  260   1HG2  THR 555          1HG2      THR 555   7.917  -1.559   2.013
  261   2HG2  THR 555          2HG2      THR 555   8.746  -2.784   1.052
  262   3HG2  THR 555          3HG2      THR 555   7.004  -2.565   0.889
  263    H    THR 556           H        THR 556   6.099   0.435  -1.588
  264    HA   THR 556           HA       THR 556   7.722   1.933  -3.455
  265    HB   THR 556           HB       THR 556   6.462   0.394  -4.942
  266    HG1  THR 556           1HG      THR 556   6.937   2.307  -5.908
  267   1HG2  THR 556          1HG2      THR 556   4.051   1.798  -3.784
  268   2HG2  THR 556          2HG2      THR 556   4.450   0.088  -3.622
  269   3HG2  THR 556          3HG2      THR 556   4.026   0.749  -5.201
  270    H    TRP 557           H        TRP 557   6.637   4.026  -4.044
  271    HA   TRP 557           HA       TRP 557   5.364   5.100  -1.654
  272   1HB   TRP 557          2HB       TRP 557   6.737   6.371  -4.013
  273   2HB   TRP 557          1HB       TRP 557   5.806   7.323  -2.862
  274    HD1  TRP 557           HD       TRP 557   9.206   6.793  -3.482
  275    HE1  TRP 557           1HE      TRP 557  10.652   6.788  -1.354
  276    HE3  TRP 557           3HE      TRP 557   5.527   6.091  -0.027
  277    HZ2  TRP 557           2HZ      TRP 557  10.275   6.523   1.438
  278    HZ3  TRP 557           3HZ      TRP 557   6.143   5.968   2.353
  279    HH2  TRP 557           HH       TRP 557   8.468   6.182   3.071
  280    H    ILE 558           H        ILE 558   4.593   4.248  -4.886
  281    HA   ILE 558           HA       ILE 558   2.094   5.785  -4.768
  282    HB   ILE 558           HB       ILE 558   3.306   4.376  -7.141
  283   1HG1  ILE 558          2HG1      ILE 558   4.597   6.344  -6.047
  284   2HG1  ILE 558          1HG1      ILE 558   4.323   6.379  -7.789
  285   1HG2  ILE 558          1HG2      ILE 558   0.851   4.733  -7.199
  286   2HG2  ILE 558          2HG2      ILE 558   1.719   5.606  -8.462
  287   3HG2  ILE 558          3HG2      ILE 558   1.137   6.466  -7.038
  288   1HD1  ILE 558          1HD1      ILE 558   2.175   7.677  -6.365
  289   2HD1  ILE 558          2HD1      ILE 558   3.224   8.298  -7.640
  290   3HD1  ILE 558          3HD1      ILE 558   3.742   8.374  -5.955
  291    H    ASP 559           H        ASP 559   0.169   4.807  -4.626
  292    HA   ASP 559           HA       ASP 559   0.030   2.068  -3.917
  293   1HB   ASP 559          2HB       ASP 559  -2.438   2.451  -3.905
  294   2HB   ASP 559          1HB       ASP 559  -1.535   3.621  -2.948
  295    HA   PRO 560           HA       PRO 560  -0.673   0.401  -7.970
  296   1HB   PRO 560          2HB       PRO 560  -1.264  -2.146  -7.208
  297   2HB   PRO 560          1HB       PRO 560   0.370  -1.483  -7.212
  298   1HG   PRO 560          2HG       PRO 560  -1.341  -2.165  -4.944
  299   2HG   PRO 560          1HG       PRO 560   0.395  -1.846  -4.986
  300   1HD   PRO 560          2HD       PRO 560  -1.730  -0.083  -4.162
  301   2HD   PRO 560          1HD       PRO 560   0.020   0.176  -4.091
  302    H    ARG 561           H        ARG 561  -3.089   0.355  -5.487
  303    HA   ARG 561           HA       ARG 561  -5.205  -0.907  -6.769
  304   1HB   ARG 561          2HB       ARG 561  -6.613   0.734  -5.336
  305   2HB   ARG 561          1HB       ARG 561  -5.582  -0.437  -4.525
  306   1HG   ARG 561          2HG       ARG 561  -4.192   1.144  -3.708
  307   2HG   ARG 561          1HG       ARG 561  -4.373   2.191  -5.117
  308   1HD   ARG 561          2HD       ARG 561  -5.654   3.465  -3.805
  309   2HD   ARG 561          1HD       ARG 561  -6.886   2.219  -4.008
  310    HE   ARG 561           HE       ARG 561  -5.473   1.301  -1.914
  311   1HH1  ARG 561          1HH1      ARG 561  -6.863   4.415  -2.618
  312   2HH1  ARG 561          2HH1      ARG 561  -7.167   4.799  -0.957
  313   1HH2  ARG 561          1HH2      ARG 561  -5.879   1.791   0.274
  314   2HH2  ARG 561          2HH2      ARG 561  -6.605   3.308   0.689
  315    H    ASN 562           H        ASN 562  -3.833   2.247  -7.275
  316    HA   ASN 562           HA       ASN 562  -5.623   2.629  -9.549
  317   1HB   ASN 562          2HB       ASN 562  -6.039   4.990  -8.939
  318   2HB   ASN 562          1HB       ASN 562  -6.715   3.871  -7.761
  319   1HD2  ASN 562          1HD2      ASN 562  -5.804   3.729  -5.721
  320   2HD2  ASN 562          2HD2      ASN 562  -4.719   4.925  -5.111
  321    H    GLY 563           H        GLY 563  -2.889   4.006  -7.725
  322   1HA   GLY 563          2HA       GLY 563  -0.718   4.014  -8.902
  323   2HA   GLY 563          1HA       GLY 563  -1.595   4.559 -10.325
  324    H    ARG 564           H        ARG 564  -1.840   5.642  -6.954
  325    HA   ARG 564           HA       ARG 564  -0.781   8.258  -7.769
  326   1HB   ARG 564          2HB       ARG 564  -3.284   7.814  -6.131
  327   2HB   ARG 564          1HB       ARG 564  -2.542   9.376  -6.449
  328   1HG   ARG 564          2HG       ARG 564  -3.268   9.441  -8.607
  329   2HG   ARG 564          1HG       ARG 564  -3.277   7.684  -8.774
  330   1HD   ARG 564          2HD       ARG 564  -5.511   7.949  -8.624
  331   2HD   ARG 564          1HD       ARG 564  -5.178   7.991  -6.893
  332    HE   ARG 564           HE       ARG 564  -4.942  10.590  -7.733
  333   1HH1  ARG 564          1HH1      ARG 564  -7.430   8.155  -7.822
  334   2HH1  ARG 564          2HH1      ARG 564  -8.731   9.296  -7.749
  335   1HH2  ARG 564          1HH2      ARG 564  -6.645  12.101  -7.637
  336   2HH2  ARG 564          2HH2      ARG 564  -8.284  11.542  -7.643
  337    H    ALA 565           H        ALA 565   0.280   9.424  -6.160
  338    HA   ALA 565           HA       ALA 565   1.714   7.993  -4.264
  339   1HB   ALA 565          1HB       ALA 565   1.687  10.606  -5.196
  340   2HB   ALA 565          2HB       ALA 565   2.813   9.915  -4.028
  341   3HB   ALA 565          3HB       ALA 565   1.367  10.754  -3.468
  342    H    SER 566           H        SER 566   0.939   6.930  -2.566
  343    HA   SER 566           HA       SER 566  -0.342   6.346  -0.771
  344   1HB   SER 566          2HB       SER 566   0.968   8.185   0.215
  345   2HB   SER 566          1HB       SER 566  -0.266   9.336  -0.294
  346    HG   SER 566           HG       SER 566  -1.277   8.868   1.473
  347   1H    THR 227          1HT       THR 227  15.373   9.903  -2.306
  348   2H    THR 227          2HT       THR 227  15.970  10.218  -0.755
  349   3H    THR 227          3HT       THR 227  14.304  10.273  -1.047
  350    HA   THR 227           HA       THR 227  14.531   7.848  -1.743
  351    HB   THR 227           HB       THR 227  16.348   6.632  -0.658
  352    HG1  THR 227           1HG      THR 227  16.994   7.841   1.041
  353   1HG2  THR 227          1HG2      THR 227  17.865   6.979  -2.319
  354   2HG2  THR 227          2HG2      THR 227  17.865   8.730  -2.103
  355   3HG2  THR 227          3HG2      THR 227  16.547   7.949  -2.977
  356    H    GLY 228           H        GLY 228  14.400   6.148   0.120
  357   1HA   GLY 228          2HA       GLY 228  14.144   6.408   2.727
  358   2HA   GLY 228          1HA       GLY 228  12.790   7.405   2.217
  359    H    LEU 229           H        LEU 229  12.266   5.654  -0.120
  360    HA   LEU 229           HA       LEU 229  10.251   4.076   0.860
  361   1HB   LEU 229          2HB       LEU 229  10.428   4.528  -1.490
  362   2HB   LEU 229          1HB       LEU 229  11.953   3.670  -1.593
  363    HG   LEU 229           HG       LEU 229  10.726   1.564  -1.005
  364   1HD1  LEU 229          1HD1      LEU 229   8.229   3.090  -1.660
  365   2HD1  LEU 229          2HD1      LEU 229   8.779   2.871   0.000
  366   3HD1  LEU 229          3HD1      LEU 229   8.388   1.466  -0.991
  367   1HD2  LEU 229          1HD2      LEU 229  10.185   1.129  -3.201
  368   2HD2  LEU 229          2HD2      LEU 229  11.243   2.529  -3.372
  369   3HD2  LEU 229          3HD2      LEU 229   9.493   2.731  -3.460
  370    HA   PRO 230           HA       PRO 230  12.845   1.102   3.124
  371   1HB   PRO 230          2HB       PRO 230  10.157   0.064   3.824
  372   2HB   PRO 230          1HB       PRO 230  11.504   0.501   4.880
  373   1HG   PRO 230          2HG       PRO 230   9.335   2.049   4.700
  374   2HG   PRO 230          1HG       PRO 230  10.955   2.750   4.872
  375   1HD   PRO 230          2HD       PRO 230   9.240   2.508   2.433
  376   2HD   PRO 230          1HD       PRO 230  10.292   3.844   2.944
  377    H    SER 231           H        SER 231  11.563  -1.467   3.482
  378    HA   SER 231           HA       SER 231  10.903  -2.458   0.857
  379   1HB   SER 231          2HB       SER 231  12.811  -4.169   0.970
  380   2HB   SER 231          1HB       SER 231  13.241  -2.522   0.508
  381    HG   SER 231           HG       SER 231  13.560  -3.744   3.047
  382    H    TYR 232           H        TYR 232  10.130  -4.611   0.873
  383    HA   TYR 232           HA       TYR 232   8.627  -5.329   3.092
  384   1HB   TYR 232          2HB       TYR 232   8.362  -6.099   0.676
  385   2HB   TYR 232          1HB       TYR 232   9.607  -7.295   1.023
  386    HD1  TYR 232           1HD      TYR 232   6.199  -6.860   0.774
  387    HD2  TYR 232           2HD      TYR 232   9.089  -8.613   3.356
  388    HE1  TYR 232           1HE      TYR 232   4.478  -8.376   1.661
  389    HE2  TYR 232           2HE      TYR 232   7.378 -10.133   4.250
  390    HH   TYR 232           HH       TYR 232   5.251 -11.060   3.663
  391    H    ASP 233           H        ASP 233   9.964  -5.284   4.933
  392    HA   ASP 233           HA       ASP 233  10.999  -7.752   5.757
  393   1HB   ASP 233          2HB       ASP 233  12.808  -7.034   4.124
  394   2HB   ASP 233          1HB       ASP 233  13.184  -5.732   5.248
  395    H    GLU 234           H        GLU 234  12.086  -4.388   6.249
  396    HA   GLU 234           HA       GLU 234  11.613  -4.711   9.118
  397   1HB   GLU 234          2HB       GLU 234  12.951  -2.713   9.408
  398   2HB   GLU 234          1HB       GLU 234  13.805  -3.846   8.369
  399   1HG   GLU 234          2HG       GLU 234  13.614  -2.523   6.527
  400   2HG   GLU 234          1HG       GLU 234  12.113  -1.779   7.080
  401    H    ALA 235           H        ALA 235   9.475  -4.314   7.074
  402    HA   ALA 235           HA       ALA 235   8.234  -1.954   8.316
  403   1HB   ALA 235          1HB       ALA 235   7.127  -1.478   6.142
  404   2HB   ALA 235          2HB       ALA 235   8.147  -2.711   5.400
  405   3HB   ALA 235          3HB       ALA 235   8.878  -1.271   6.106
  406    H    LEU 236           H        LEU 236   7.913  -4.560   9.236
  407    HA   LEU 236           HA       LEU 236   5.074  -4.988   8.633
  408   1HB   LEU 236          2HB       LEU 236   7.274  -7.024   8.566
  409   2HB   LEU 236          1HB       LEU 236   5.637  -7.504   8.972
  410    HG   LEU 236           HG       LEU 236   5.298  -6.035   6.656
  411   1HD1  LEU 236          1HD1      LEU 236   7.633  -5.922   6.174
  412   2HD1  LEU 236          2HD1      LEU 236   6.910  -7.101   5.080
  413   3HD1  LEU 236          3HD1      LEU 236   7.835  -7.648   6.479
  414   1HD2  LEU 236          1HD2      LEU 236   4.274  -8.214   7.407
  415   2HD2  LEU 236          2HD2      LEU 236   5.710  -9.014   6.764
  416   3HD2  LEU 236          3HD2      LEU 236   4.654  -8.098   5.688
  417    H    HIS 237           H        HIS 237   7.780  -5.733  10.801
  418    HA   HIS 237           HA       HIS 237   6.151  -6.581  12.968
  419   1HB   HIS 237          2HB       HIS 237   8.962  -5.489  13.145
  420   2HB   HIS 237          1HB       HIS 237   8.165  -6.581  14.273
  421    HD1  HIS 237           1HD      HIS 237   7.903  -9.072  13.523
  422    HD2  HIS 237           2HD      HIS 237  10.101  -6.694  10.919
  423    HE1  HIS 237           1HE      HIS 237   9.074 -10.672  11.977
  424    HE2  HIS 237           2HE      HIS 237  10.456  -9.214  10.456
  Start of MODEL    4
    1   1H    GLY 521          1HT       GLY 521 -17.482  12.157  -9.614
    2   2H    GLY 521          2HT       GLY 521 -18.886  12.914 -10.174
    3   3H    GLY 521          3HT       GLY 521 -18.978  11.785  -8.918
    4   1HA   GLY 521          2HA       GLY 521 -18.158  13.204  -7.346
    5   2HA   GLY 521          1HA       GLY 521 -19.059  14.304  -8.378
    6    HA   PRO 522           HA       PRO 522 -15.362  16.641  -8.938
    7   1HB   PRO 522          2HB       PRO 522 -14.864  17.881  -6.598
    8   2HB   PRO 522          1HB       PRO 522 -16.275  18.276  -7.587
    9   1HG   PRO 522          2HG       PRO 522 -16.091  16.521  -5.166
   10   2HG   PRO 522          1HG       PRO 522 -17.314  17.740  -5.573
   11   1HD   PRO 522          2HD       PRO 522 -17.697  15.074  -5.955
   12   2HD   PRO 522          1HD       PRO 522 -18.449  16.315  -6.977
   13    H    LEU 523           H        LEU 523 -15.253  14.584  -6.077
   14    HA   LEU 523           HA       LEU 523 -12.601  13.697  -6.758
   15   1HB   LEU 523          2HB       LEU 523 -12.794  15.875  -5.047
   16   2HB   LEU 523          1HB       LEU 523 -12.582  14.511  -3.966
   17    HG   LEU 523           HG       LEU 523 -10.712  14.418  -6.187
   18   1HD1  LEU 523          1HD1      LEU 523  -9.441  16.340  -5.782
   19   2HD1  LEU 523          2HD1      LEU 523 -10.321  16.720  -4.302
   20   3HD1  LEU 523          3HD1      LEU 523 -11.104  16.923  -5.870
   21   1HD2  LEU 523          1HD2      LEU 523 -10.206  13.056  -4.389
   22   2HD2  LEU 523          2HD2      LEU 523 -10.643  14.284  -3.201
   23   3HD2  LEU 523          3HD2      LEU 523  -9.145  14.438  -4.119
   24    H    GLY 524           H        GLY 524 -14.850  12.217  -6.762
   25   1HA   GLY 524          2HA       GLY 524 -15.115  10.857  -4.202
   26   2HA   GLY 524          1HA       GLY 524 -16.053  10.538  -5.653
   27    H    SER 525           H        SER 525 -13.061   9.891  -3.960
   28    HA   SER 525           HA       SER 525 -12.406   7.800  -5.917
   29   1HB   SER 525          2HB       SER 525 -10.162   7.785  -4.859
   30   2HB   SER 525          1HB       SER 525 -10.590   9.372  -5.497
   31    HG   SER 525           HG       SER 525  -9.702   9.058  -3.195
   32    H    GLY 526           H        GLY 526 -13.229   8.378  -2.576
   33   1HA   GLY 526          2HA       GLY 526 -14.472   6.502  -1.529
   34   2HA   GLY 526          1HA       GLY 526 -13.195   5.456  -2.129
   35    H    GLU 527           H        GLU 527 -14.094   5.761   0.597
   36    HA   GLU 527           HA       GLU 527 -12.037   7.268   1.966
   37   1HB   GLU 527          2HB       GLU 527 -14.296   5.517   2.936
   38   2HB   GLU 527          1HB       GLU 527 -13.139   6.277   4.021
   39   1HG   GLU 527          2HG       GLU 527 -14.838   7.808   2.071
   40   2HG   GLU 527          1HG       GLU 527 -15.311   7.485   3.739
   41    H    GLU 528           H        GLU 528 -10.182   6.139   1.156
   42    HA   GLU 528           HA       GLU 528  -8.430   4.712   1.456
   43   1HB   GLU 528          2HB       GLU 528  -9.533   4.809   3.913
   44   2HB   GLU 528          1HB       GLU 528  -9.768   3.104   3.555
   45   1HG   GLU 528          2HG       GLU 528  -7.132   3.672   2.818
   46   2HG   GLU 528          1HG       GLU 528  -7.389   4.491   4.358
   47    H    GLU 529           H        GLU 529  -8.746   3.734  -0.550
   48    HA   GLU 529           HA       GLU 529 -10.563   1.543  -0.876
   49   1HB   GLU 529          2HB       GLU 529 -10.057   2.966  -2.769
   50   2HB   GLU 529          1HB       GLU 529  -8.346   2.585  -2.641
   51   1HG   GLU 529          2HG       GLU 529  -8.818   1.110  -4.258
   52   2HG   GLU 529          1HG       GLU 529  -9.367   0.108  -2.915
   53    HA   PRO 530           HA       PRO 530  -8.057  -1.710   0.805
   54   1HB   PRO 530          2HB       PRO 530  -9.313  -3.374  -1.313
   55   2HB   PRO 530          1HB       PRO 530  -9.265  -3.623   0.436
   56   1HG   PRO 530          2HG       PRO 530 -11.500  -2.809  -0.767
   57   2HG   PRO 530          1HG       PRO 530 -11.034  -2.179   0.825
   58   1HD   PRO 530          2HD       PRO 530 -10.829  -0.888  -1.864
   59   2HD   PRO 530          1HD       PRO 530 -11.244  -0.171  -0.293
   60    H    LEU 531           H        LEU 531  -6.231  -2.930   0.310
   61    HA   LEU 531           HA       LEU 531  -4.798  -2.092  -2.050
   62   1HB   LEU 531          2HB       LEU 531  -4.045  -3.939   0.218
   63   2HB   LEU 531          1HB       LEU 531  -2.958  -3.485  -1.082
   64    HG   LEU 531           HG       LEU 531  -2.526  -2.188   0.945
   65   1HD1  LEU 531          1HD1      LEU 531  -1.974  -0.395  -0.265
   66   2HD1  LEU 531          2HD1      LEU 531  -3.652  -0.055  -0.691
   67   3HD1  LEU 531          3HD1      LEU 531  -2.729  -1.238  -1.618
   68   1HD2  LEU 531          1HD2      LEU 531  -4.099  -0.748   1.936
   69   2HD2  LEU 531          2HD2      LEU 531  -4.957  -2.268   1.685
   70   3HD2  LEU 531          3HD2      LEU 531  -5.223  -0.913   0.587
   71    HA   PRO 532           HA       PRO 532  -5.761  -5.324  -4.865
   72   1HB   PRO 532          2HB       PRO 532  -2.804  -5.503  -5.242
   73   2HB   PRO 532          1HB       PRO 532  -4.086  -5.369  -6.448
   74   1HG   PRO 532          2HG       PRO 532  -2.621  -3.256  -5.831
   75   2HG   PRO 532          1HG       PRO 532  -4.365  -3.095  -6.097
   76   1HD   PRO 532          2HD       PRO 532  -2.830  -3.079  -3.538
   77   2HD   PRO 532          1HD       PRO 532  -4.286  -2.166  -3.990
   78    HA   PRO 533           HA       PRO 533  -5.287  -9.477  -3.536
   79   1HB   PRO 533          2HB       PRO 533  -3.167  -9.959  -5.565
   80   2HB   PRO 533          1HB       PRO 533  -4.583 -10.934  -5.165
   81   1HG   PRO 533          2HG       PRO 533  -4.575  -9.372  -7.319
   82   2HG   PRO 533          1HG       PRO 533  -6.034  -9.543  -6.325
   83   1HD   PRO 533          2HD       PRO 533  -4.144  -7.267  -6.542
   84   2HD   PRO 533          1HD       PRO 533  -5.876  -7.263  -6.160
   85    H    ARG 534           H        ARG 534  -2.118  -8.191  -4.322
   86    HA   ARG 534           HA       ARG 534  -1.140  -9.363  -1.803
   87   1HB   ARG 534          2HB       ARG 534   0.219  -9.311  -4.492
   88   2HB   ARG 534          1HB       ARG 534   1.085  -9.625  -2.995
   89   1HG   ARG 534          2HG       ARG 534  -1.316 -11.246  -3.733
   90   2HG   ARG 534          1HG       ARG 534   0.271 -11.615  -4.411
   91   1HD   ARG 534          2HD       ARG 534  -0.031 -11.255  -1.462
   92   2HD   ARG 534          1HD       ARG 534  -0.531 -12.773  -2.207
   93    HE   ARG 534           HE       ARG 534   2.056 -12.123  -3.087
   94   1HH1  ARG 534          1HH1      ARG 534   0.375 -13.141  -0.213
   95   2HH1  ARG 534          2HH1      ARG 534   1.746 -13.959   0.457
   96   1HH2  ARG 534          1HH2      ARG 534   3.870 -13.197  -2.215
   97   2HH2  ARG 534          2HH2      ARG 534   3.734 -13.991  -0.681
   98    H    TRP 535           H        TRP 535  -1.898  -7.045  -1.282
   99    HA   TRP 535           HA       TRP 535   0.529  -5.463  -1.167
  100   1HB   TRP 535          2HB       TRP 535  -1.988  -4.491  -2.492
  101   2HB   TRP 535          1HB       TRP 535  -0.762  -3.390  -1.871
  102    HD1  TRP 535           HD       TRP 535  -1.162  -6.184  -4.503
  103    HE1  TRP 535           1HE      TRP 535   0.584  -5.799  -6.352
  104    HE3  TRP 535           3HE      TRP 535   1.373  -2.279  -2.405
  105    HZ2  TRP 535           2HZ      TRP 535   2.764  -4.061  -6.845
  106    HZ3  TRP 535           3HZ      TRP 535   3.278  -1.315  -3.625
  107    HH2  TRP 535           HH       TRP 535   3.959  -2.189  -5.799
  108    H    SER 536           H        SER 536   0.400  -3.643   0.301
  109    HA   SER 536           HA       SER 536  -1.802  -3.666   2.207
  110   1HB   SER 536          2HB       SER 536   0.497  -5.142   2.722
  111   2HB   SER 536          1HB       SER 536   0.758  -3.641   3.603
  112    HG   SER 536           HG       SER 536  -0.583  -5.589   4.500
  113    H    MET 537           H        MET 537  -0.311  -2.127   4.167
  114    HA   MET 537           HA       MET 537   0.707   0.197   2.801
  115   1HB   MET 537          2HB       MET 537  -2.000   0.172   4.096
  116   2HB   MET 537          1HB       MET 537  -1.058   1.655   4.003
  117   1HG   MET 537          2HG       MET 537  -0.892   1.009   1.466
  118   2HG   MET 537          1HG       MET 537  -2.344   0.082   1.834
  119   1HE   MET 537          1HE       MET 537  -0.553   3.212   2.533
  120   2HE   MET 537          2HE       MET 537  -1.797   4.393   2.943
  121   3HE   MET 537          3HE       MET 537  -1.299   4.183   1.264
  122    H    GLN 538           H        GLN 538   2.148   1.223   4.036
  123    HA   GLN 538           HA       GLN 538   1.935   1.152   6.932
  124   1HB   GLN 538          2HB       GLN 538   3.279  -0.890   5.970
  125   2HB   GLN 538          1HB       GLN 538   4.559   0.300   5.773
  126   1HG   GLN 538          2HG       GLN 538   5.074   0.206   7.921
  127   2HG   GLN 538          1HG       GLN 538   3.399   0.489   8.396
  128   1HE2  GLN 538          1HE2      GLN 538   5.464  -1.294   9.510
  129   2HE2  GLN 538          2HE2      GLN 538   4.763  -2.872   9.504
  130    H    VAL 539           H        VAL 539   3.192   2.728   7.982
  131    HA   VAL 539           HA       VAL 539   3.956   4.945   6.243
  132    HB   VAL 539           HB       VAL 539   2.463   5.371   8.176
  133   1HG1  VAL 539          1HG1      VAL 539   3.100   5.090  10.389
  134   2HG1  VAL 539          2HG1      VAL 539   4.816   5.005   9.989
  135   3HG1  VAL 539          3HG1      VAL 539   3.755   3.649   9.611
  136   1HG2  VAL 539          1HG2      VAL 539   5.020   6.806   8.747
  137   2HG2  VAL 539          2HG2      VAL 539   3.374   7.434   8.666
  138   3HG2  VAL 539          3HG2      VAL 539   4.230   7.011   7.183
  139    H    ALA 540           H        ALA 540   5.992   5.706   6.019
  140    HA   ALA 540           HA       ALA 540   8.122   4.181   7.356
  141   1HB   ALA 540          1HB       ALA 540   8.985   3.958   5.326
  142   2HB   ALA 540          2HB       ALA 540   9.206   5.706   5.250
  143   3HB   ALA 540          3HB       ALA 540   7.720   4.978   4.643
  144    HA   PRO 541           HA       PRO 541   9.710   7.733   9.419
  145   1HB   PRO 541          2HB       PRO 541  12.389   7.594   9.037
  146   2HB   PRO 541          1HB       PRO 541  11.515   6.462  10.076
  147   1HG   PRO 541          2HG       PRO 541  12.453   6.108   7.255
  148   2HG   PRO 541          1HG       PRO 541  12.532   4.969   8.613
  149   1HD   PRO 541          2HD       PRO 541  10.630   4.828   6.680
  150   2HD   PRO 541          1HD       PRO 541  10.338   4.319   8.355
  151    H    ASN 542           H        ASN 542  10.519   7.347   6.058
  152    HA   ASN 542           HA       ASN 542  11.831   9.700   5.468
  153   1HB   ASN 542          2HB       ASN 542  11.507   7.981   3.791
  154   2HB   ASN 542          1HB       ASN 542   9.763   8.217   3.833
  155   1HD2  ASN 542          1HD2      ASN 542   9.859   8.577   1.572
  156   2HD2  ASN 542          2HD2      ASN 542  10.354  10.109   0.944
  157    H    GLY 543           H        GLY 543   8.454   9.169   6.201
  158   1HA   GLY 543          2HA       GLY 543   7.386  11.170   7.235
  159   2HA   GLY 543          1HA       GLY 543   7.996  12.069   5.855
  160    H    ARG 544           H        ARG 544   7.202   9.323   4.410
  161    HA   ARG 544           HA       ARG 544   4.343   9.962   4.194
  162   1HB   ARG 544          2HB       ARG 544   4.413   9.779   1.795
  163   2HB   ARG 544          1HB       ARG 544   5.602  10.969   2.303
  164   1HG   ARG 544          2HG       ARG 544   6.972   8.535   2.232
  165   2HG   ARG 544          1HG       ARG 544   5.959   8.556   0.787
  166   1HD   ARG 544          2HD       ARG 544   6.878  11.034   0.626
  167   2HD   ARG 544          1HD       ARG 544   8.200  10.347   1.569
  168    HE   ARG 544           HE       ARG 544   8.872   9.164  -0.284
  169   1HH1  ARG 544          1HH1      ARG 544   5.693  10.479  -0.826
  170   2HH1  ARG 544          2HH1      ARG 544   5.674  10.081  -2.512
  171   1HH2  ARG 544          1HH2      ARG 544   8.857   8.633  -2.503
  172   2HH2  ARG 544          2HH2      ARG 544   7.473   9.031  -3.465
  173    H    THR 545           H        THR 545   2.993   8.258   3.463
  174    HA   THR 545           HA       THR 545   3.873   5.676   4.396
  175    HB   THR 545           HB       THR 545   1.467   5.078   3.476
  176    HG1  THR 545           1HG      THR 545   0.123   6.979   3.643
  177   1HG2  THR 545          1HG2      THR 545   1.950   4.929   5.796
  178   2HG2  THR 545          2HG2      THR 545   0.519   5.950   5.655
  179   3HG2  THR 545          3HG2      THR 545   2.098   6.680   5.950
  180    H    PHE 546           H        PHE 546   4.017   3.799   3.180
  181    HA   PHE 546           HA       PHE 546   4.175   4.230   0.274
  182   1HB   PHE 546          2HB       PHE 546   5.875   2.339   0.354
  183   2HB   PHE 546          1HB       PHE 546   6.383   3.886   1.021
  184    HD1  PHE 546           1HD      PHE 546   6.246   4.194   3.546
  185    HD2  PHE 546           2HD      PHE 546   5.979   0.399   1.633
  186    HE1  PHE 546           1HE      PHE 546   6.836   3.083   5.663
  187    HE2  PHE 546           2HE      PHE 546   6.565  -0.714   3.745
  188    HZ   PHE 546           HZ       PHE 546   6.995   0.628   5.764
  189    H    PHE 547           H        PHE 547   4.350   1.791  -0.726
  190    HA   PHE 547           HA       PHE 547   2.013   0.336   0.309
  191   1HB   PHE 547          2HB       PHE 547   2.683   1.170  -2.486
  192   2HB   PHE 547          1HB       PHE 547   1.772  -0.315  -2.227
  193    HD1  PHE 547           1HD      PHE 547  -0.516  -0.156  -2.271
  194    HD2  PHE 547           2HD      PHE 547   1.757   3.230  -1.056
  195    HE1  PHE 547           1HE      PHE 547  -2.589   1.154  -2.054
  196    HE2  PHE 547           2HE      PHE 547  -0.311   4.545  -0.837
  197    HZ   PHE 547           HZ       PHE 547  -2.488   3.507  -1.336
  198    H    ILE 548           H        ILE 548   2.434  -1.630   0.904
  199    HA   ILE 548           HA       ILE 548   4.952  -2.867   0.182
  200    HB   ILE 548           HB       ILE 548   2.742  -3.745   2.037
  201   1HG1  ILE 548          2HG1      ILE 548   5.022  -3.365   3.523
  202   2HG1  ILE 548          1HG1      ILE 548   5.136  -2.082   2.324
  203   1HG2  ILE 548          1HG2      ILE 548   5.469  -4.987   1.694
  204   2HG2  ILE 548          2HG2      ILE 548   3.969  -5.665   1.061
  205   3HG2  ILE 548          3HG2      ILE 548   4.200  -5.510   2.802
  206   1HD1  ILE 548          1HD1      ILE 548   2.597  -1.743   3.044
  207   2HD1  ILE 548          2HD1      ILE 548   3.944  -0.979   3.889
  208   3HD1  ILE 548          3HD1      ILE 548   3.218  -2.450   4.535
  209    H    ASP 549           H        ASP 549   5.195  -4.676  -1.033
  210    HA   ASP 549           HA       ASP 549   2.787  -5.730  -2.364
  211   1HB   ASP 549          2HB       ASP 549   4.182  -4.370  -3.889
  212   2HB   ASP 549          1HB       ASP 549   5.551  -5.430  -3.562
  213    H    HIS 550           H        HIS 550   2.393  -7.733  -1.722
  214    HA   HIS 550           HA       HIS 550   4.469  -9.391  -0.600
  215   1HB   HIS 550          2HB       HIS 550   1.551  -9.993  -1.123
  216   2HB   HIS 550          1HB       HIS 550   2.651 -11.001  -0.189
  217    HD2  HIS 550           2HD      HIS 550   1.796  -7.149   0.130
  218    HE1  HIS 550           1HE      HIS 550   1.493  -9.056   3.897
  219    HE2  HIS 550           2HE      HIS 550   1.470  -6.829   2.684
  220    H    ALA 551           H        ALA 551   3.017  -8.963  -3.683
  221    HA   ALA 551           HA       ALA 551   3.346 -11.562  -4.736
  222   1HB   ALA 551          1HB       ALA 551   2.130 -10.542  -6.293
  223   2HB   ALA 551          2HB       ALA 551   3.629  -9.819  -6.877
  224   3HB   ALA 551          3HB       ALA 551   2.617  -8.945  -5.726
  225    H    SER 552           H        SER 552   5.509  -8.809  -4.452
  226    HA   SER 552           HA       SER 552   7.678 -10.495  -5.515
  227   1HB   SER 552          2HB       SER 552   6.809  -7.852  -6.343
  228   2HB   SER 552          1HB       SER 552   8.505  -7.855  -5.863
  229    HG   SER 552           HG       SER 552   8.518  -9.880  -7.270
  230    H    ARG 553           H        ARG 553   6.521  -9.241  -2.737
  231    HA   ARG 553           HA       ARG 553   7.402  -8.765  -0.697
  232   1HB   ARG 553          2HB       ARG 553   9.584 -10.351  -1.999
  233   2HB   ARG 553          1HB       ARG 553   9.866  -9.618  -0.425
  234   1HG   ARG 553          2HG       ARG 553   9.167 -11.844  -0.041
  235   2HG   ARG 553          1HG       ARG 553   7.809 -10.801   0.387
  236   1HD   ARG 553          2HD       ARG 553   6.598 -11.391  -1.511
  237   2HD   ARG 553          1HD       ARG 553   8.030 -11.973  -2.360
  238    HE   ARG 553           HE       ARG 553   6.343 -13.475  -0.624
  239   1HH1  ARG 553          1HH1      ARG 553   9.635 -13.123  -1.709
  240   2HH1  ARG 553          2HH1      ARG 553  10.054 -14.771  -1.383
  241   1HH2  ARG 553          1HH2      ARG 553   6.886 -15.647  -0.194
  242   2HH2  ARG 553          2HH2      ARG 553   8.493 -16.206  -0.523
  243    H    ARG 554           H        ARG 554   7.348  -6.604  -2.309
  244    HA   ARG 554           HA       ARG 554   9.690  -5.120  -1.400
  245   1HB   ARG 554          2HB       ARG 554   8.781  -5.247  -4.276
  246   2HB   ARG 554          1HB       ARG 554   9.837  -3.988  -3.653
  247   1HG   ARG 554          2HG       ARG 554  11.567  -5.538  -3.192
  248   2HG   ARG 554          1HG       ARG 554  10.494  -6.914  -3.460
  249   1HD   ARG 554          2HD       ARG 554  10.231  -5.973  -5.840
  250   2HD   ARG 554          1HD       ARG 554  11.665  -5.018  -5.467
  251    HE   ARG 554           HE       ARG 554  12.371  -7.570  -4.821
  252   1HH1  ARG 554          1HH1      ARG 554  11.117  -6.020  -7.677
  253   2HH1  ARG 554          2HH1      ARG 554  11.898  -7.112  -8.772
  254   1HH2  ARG 554          1HH2      ARG 554  13.404  -9.015  -6.254
  255   2HH2  ARG 554          2HH2      ARG 554  13.199  -8.816  -7.961
  256    H    THR 555           H        THR 555   9.378  -2.794  -1.452
  257    HA   THR 555           HA       THR 555   6.528  -2.078  -1.260
  258    HB   THR 555           HB       THR 555   7.190  -0.285   0.264
  259    HG1  THR 555           1HG      THR 555   9.776  -1.194  -0.407
  260   1HG2  THR 555          1HG2      THR 555   7.035  -1.711   1.974
  261   2HG2  THR 555          2HG2      THR 555   8.646  -2.353   1.655
  262   3HG2  THR 555          3HG2      THR 555   7.248  -3.025   0.816
  263    H    THR 556           H        THR 556   6.147   0.338  -1.656
  264    HA   THR 556           HA       THR 556   7.939   1.622  -3.515
  265    HB   THR 556           HB       THR 556   6.920   0.237  -5.146
  266    HG1  THR 556           1HG      THR 556   5.864   1.789  -6.409
  267   1HG2  THR 556          1HG2      THR 556   4.195   0.689  -5.136
  268   2HG2  THR 556          2HG2      THR 556   4.586   0.496  -3.427
  269   3HG2  THR 556          3HG2      THR 556   5.006  -0.774  -4.576
  270    H    TRP 557           H        TRP 557   7.181   3.744  -4.173
  271    HA   TRP 557           HA       TRP 557   5.652   4.998  -2.036
  272   1HB   TRP 557          2HB       TRP 557   7.438   6.030  -4.224
  273   2HB   TRP 557          1HB       TRP 557   6.437   7.115  -3.262
  274    HD1  TRP 557           HD       TRP 557   9.831   6.149  -3.356
  275    HE1  TRP 557           1HE      TRP 557  10.955   6.201  -1.038
  276    HE3  TRP 557           3HE      TRP 557   5.645   6.229  -0.451
  277    HZ2  TRP 557           2HZ      TRP 557  10.157   6.267   1.676
  278    HZ3  TRP 557           3HZ      TRP 557   5.899   6.282   2.000
  279    HH2  TRP 557           HH       TRP 557   8.110   6.300   3.039
  280    H    ILE 558           H        ILE 558   4.558   3.433  -4.495
  281    HA   ILE 558           HA       ILE 558   2.526   5.451  -5.147
  282    HB   ILE 558           HB       ILE 558   3.263   3.483  -7.259
  283   1HG1  ILE 558          2HG1      ILE 558   4.892   5.894  -6.469
  284   2HG1  ILE 558          1HG1      ILE 558   5.447   4.272  -6.857
  285   1HG2  ILE 558          1HG2      ILE 558   1.300   4.905  -7.507
  286   2HG2  ILE 558          2HG2      ILE 558   2.519   5.299  -8.719
  287   3HG2  ILE 558          3HG2      ILE 558   2.303   6.342  -7.313
  288   1HD1  ILE 558          1HD1      ILE 558   6.091   5.429  -8.722
  289   2HD1  ILE 558          2HD1      ILE 558   4.685   6.495  -8.683
  290   3HD1  ILE 558          3HD1      ILE 558   4.513   4.827  -9.230
  291    H    ASP 559           H        ASP 559   0.449   4.734  -5.294
  292    HA   ASP 559           HA       ASP 559  -0.082   2.139  -4.148
  293   1HB   ASP 559          2HB       ASP 559  -2.355   2.880  -3.936
  294   2HB   ASP 559          1HB       ASP 559  -1.308   4.220  -3.476
  295    HA   PRO 560           HA       PRO 560  -0.875   0.320  -8.142
  296   1HB   PRO 560          2HB       PRO 560  -1.683  -2.135  -7.168
  297   2HB   PRO 560          1HB       PRO 560  -0.009  -1.656  -7.437
  298   1HG   PRO 560          2HG       PRO 560  -1.394  -2.097  -4.933
  299   2HG   PRO 560          1HG       PRO 560   0.326  -1.816  -5.223
  300   1HD   PRO 560          2HD       PRO 560  -1.667   0.035  -4.239
  301   2HD   PRO 560          1HD       PRO 560   0.088   0.241  -4.354
  302    H    ARG 561           H        ARG 561  -3.172   0.161  -5.493
  303    HA   ARG 561           HA       ARG 561  -5.429  -0.807  -6.726
  304   1HB   ARG 561          2HB       ARG 561  -6.623   0.912  -5.147
  305   2HB   ARG 561          1HB       ARG 561  -5.722  -0.435  -4.468
  306   1HG   ARG 561          2HG       ARG 561  -4.040   0.901  -3.684
  307   2HG   ARG 561          1HG       ARG 561  -4.299   2.137  -4.916
  308   1HD   ARG 561          2HD       ARG 561  -5.391   3.307  -3.376
  309   2HD   ARG 561          1HD       ARG 561  -6.666   2.094  -3.464
  310    HE   ARG 561           HE       ARG 561  -5.011   0.978  -1.700
  311   1HH1  ARG 561          1HH1      ARG 561  -6.225   4.245  -1.921
  312   2HH1  ARG 561          2HH1      ARG 561  -6.146   4.521  -0.215
  313   1HH2  ARG 561          1HH2      ARG 561  -4.912   1.343   0.546
  314   2HH2  ARG 561          2HH2      ARG 561  -5.404   2.876   1.185
  315    H    ASN 562           H        ASN 562  -3.845   2.236  -7.206
  316    HA   ASN 562           HA       ASN 562  -5.848   2.920  -9.240
  317   1HB   ASN 562          2HB       ASN 562  -4.634   5.178  -7.722
  318   2HB   ASN 562          1HB       ASN 562  -6.209   5.066  -8.497
  319   1HD2  ASN 562          1HD2      ASN 562  -4.801   5.430  -5.637
  320   2HD2  ASN 562          2HD2      ASN 562  -5.968   4.689  -4.602
  321    H    GLY 563           H        GLY 563  -2.647   3.692  -7.902
  322   1HA   GLY 563          2HA       GLY 563  -0.686   3.428  -9.301
  323   2HA   GLY 563          1HA       GLY 563  -1.661   3.935 -10.672
  324    H    ARG 564           H        ARG 564  -1.362   5.370  -7.443
  325    HA   ARG 564           HA       ARG 564  -0.072   7.719  -8.637
  326   1HB   ARG 564          2HB       ARG 564  -2.690   7.617  -7.215
  327   2HB   ARG 564          1HB       ARG 564  -1.647   9.001  -6.920
  328   1HG   ARG 564          2HG       ARG 564  -2.150   9.916  -8.882
  329   2HG   ARG 564          1HG       ARG 564  -1.885   8.399  -9.745
  330   1HD   ARG 564          2HD       ARG 564  -4.088   8.321 -10.063
  331   2HD   ARG 564          1HD       ARG 564  -4.239   7.984  -8.339
  332    HE   ARG 564           HE       ARG 564  -5.097  10.081  -8.053
  333   1HH1  ARG 564          1HH1      ARG 564  -3.433   9.959 -11.108
  334   2HH1  ARG 564          2HH1      ARG 564  -3.946  11.538 -11.600
  335   1HH2  ARG 564          1HH2      ARG 564  -5.778  12.163  -8.687
  336   2HH2  ARG 564          2HH2      ARG 564  -5.280  12.793 -10.223
  337    H    ALA 565           H        ALA 565   1.070   9.051  -7.122
  338    HA   ALA 565           HA       ALA 565   2.438   7.560  -5.138
  339   1HB   ALA 565          1HB       ALA 565   2.454  10.555  -5.447
  340   2HB   ALA 565          2HB       ALA 565   3.392   9.460  -6.465
  341   3HB   ALA 565          3HB       ALA 565   3.703   9.535  -4.731
  342    H    SER 566           H        SER 566   2.406   7.716  -2.905
  343    HA   SER 566           HA       SER 566  -0.060   7.985  -1.654
  344   1HB   SER 566          2HB       SER 566   1.384   6.749  -0.362
  345   2HB   SER 566          1HB       SER 566   2.763   7.786  -0.722
  346    HG   SER 566           HG       SER 566   2.382   8.580   1.185
  347   1H    THR 227          1HT       THR 227  14.119  10.789   1.116
  348   2H    THR 227          2HT       THR 227  14.710  10.910  -0.465
  349   3H    THR 227          3HT       THR 227  15.592  10.066   0.705
  350    HA   THR 227           HA       THR 227  12.857   9.236   0.019
  351    HB   THR 227           HB       THR 227  14.321   7.484  -1.423
  352    HG1  THR 227           1HG      THR 227  16.218   8.323  -1.822
  353   1HG2  THR 227          1HG2      THR 227  12.639   9.781  -1.987
  354   2HG2  THR 227          2HG2      THR 227  12.691   8.204  -2.774
  355   3HG2  THR 227          3HG2      THR 227  13.799   9.480  -3.281
  356    H    GLY 228           H        GLY 228  12.287   7.747   1.448
  357   1HA   GLY 228          2HA       GLY 228  14.300   5.834   2.399
  358   2HA   GLY 228          1HA       GLY 228  13.398   6.760   3.590
  359    H    LEU 229           H        LEU 229  13.062   4.445   0.940
  360    HA   LEU 229           HA       LEU 229  10.407   3.701   1.925
  361   1HB   LEU 229          2HB       LEU 229  10.492   4.098  -0.433
  362   2HB   LEU 229          1HB       LEU 229  11.886   3.051  -0.616
  363    HG   LEU 229           HG       LEU 229   9.835   1.471   0.518
  364   1HD1  LEU 229          1HD1      LEU 229   7.948   1.769  -0.771
  365   2HD1  LEU 229          2HD1      LEU 229   8.811   2.677  -2.013
  366   3HD1  LEU 229          3HD1      LEU 229   8.441   3.434  -0.464
  367   1HD2  LEU 229          1HD2      LEU 229   9.987   0.742  -2.113
  368   2HD2  LEU 229          2HD2      LEU 229  11.080   0.199  -0.839
  369   3HD2  LEU 229          3HD2      LEU 229  11.527   1.565  -1.863
  370    HA   PRO 230           HA       PRO 230  12.657   0.328   3.965
  371   1HB   PRO 230          2HB       PRO 230  10.052  -0.226   5.188
  372   2HB   PRO 230          1HB       PRO 230  11.580   0.202   5.960
  373   1HG   PRO 230          2HG       PRO 230   9.492   1.903   5.875
  374   2HG   PRO 230          1HG       PRO 230  11.174   2.464   5.815
  375   1HD   PRO 230          2HD       PRO 230   9.205   2.131   3.580
  376   2HD   PRO 230          1HD       PRO 230  10.367   3.444   3.872
  377    H    SER 231           H        SER 231  12.969  -1.178   2.385
  378    HA   SER 231           HA       SER 231  11.055  -2.369   0.772
  379   1HB   SER 231          2HB       SER 231  13.283  -2.705   0.113
  380   2HB   SER 231          1HB       SER 231  13.765  -3.276   1.709
  381    HG   SER 231           HG       SER 231  13.480  -4.913   0.002
  382    H    TYR 232           H        TYR 232  10.388  -4.684   0.789
  383    HA   TYR 232           HA       TYR 232   8.878  -5.270   3.078
  384   1HB   TYR 232          2HB       TYR 232   8.684  -6.092   0.580
  385   2HB   TYR 232          1HB       TYR 232   9.654  -7.438   1.168
  386    HD1  TYR 232           1HD      TYR 232   6.600  -7.061   0.178
  387    HD2  TYR 232           2HD      TYR 232   8.529  -7.753   3.905
  388    HE1  TYR 232           1HE      TYR 232   4.563  -8.147   1.023
  389    HE2  TYR 232           2HE      TYR 232   6.497  -8.843   4.762
  390    HH   TYR 232           HH       TYR 232   4.049  -9.920   2.863
  391    H    ASP 233           H        ASP 233  10.429  -5.156   4.803
  392    HA   ASP 233           HA       ASP 233  11.253  -7.621   5.780
  393   1HB   ASP 233          2HB       ASP 233  12.965  -6.944   3.785
  394   2HB   ASP 233          1HB       ASP 233  13.776  -6.211   5.165
  395    H    GLU 234           H        GLU 234  12.354  -4.236   5.660
  396    HA   GLU 234           HA       GLU 234  12.880  -4.237   8.509
  397   1HB   GLU 234          2HB       GLU 234  13.462  -1.820   8.100
  398   2HB   GLU 234          1HB       GLU 234  14.420  -2.983   7.195
  399   1HG   GLU 234          2HG       GLU 234  12.007  -1.931   5.859
  400   2HG   GLU 234          1HG       GLU 234  13.341  -0.804   6.101
  401    H    ALA 235           H        ALA 235  10.376  -3.205   6.323
  402    HA   ALA 235           HA       ALA 235   9.021  -1.664   8.390
  403   1HB   ALA 235          1HB       ALA 235   8.560  -0.502   6.526
  404   2HB   ALA 235          2HB       ALA 235   7.292  -1.705   6.291
  405   3HB   ALA 235          3HB       ALA 235   8.843  -1.888   5.472
  406    H    LEU 236           H        LEU 236   8.876  -3.734   9.682
  407    HA   LEU 236           HA       LEU 236   6.304  -5.011   9.088
  408   1HB   LEU 236          2HB       LEU 236   8.929  -6.356   9.559
  409   2HB   LEU 236          1HB       LEU 236   7.464  -7.126  10.139
  410    HG   LEU 236           HG       LEU 236   6.648  -6.734   7.665
  411   1HD1  LEU 236          1HD1      LEU 236   8.170  -6.233   6.114
  412   2HD1  LEU 236          2HD1      LEU 236   9.378  -7.303   6.823
  413   3HD1  LEU 236          3HD1      LEU 236   9.168  -5.670   7.454
  414   1HD2  LEU 236          1HD2      LEU 236   6.743  -8.952   7.647
  415   2HD2  LEU 236          2HD2      LEU 236   7.728  -8.875   9.108
  416   3HD2  LEU 236          3HD2      LEU 236   8.502  -8.926   7.525
  417    H    HIS 237           H        HIS 237   6.490  -2.951  10.818
  418    HA   HIS 237           HA       HIS 237   5.375  -3.910  13.163
  419   1HB   HIS 237          2HB       HIS 237   7.268  -3.319  14.770
  420   2HB   HIS 237          1HB       HIS 237   7.432  -4.830  13.882
  421    HD1  HIS 237           1HD      HIS 237   8.561  -1.216  13.439
  422    HD2  HIS 237           2HD      HIS 237   9.881  -5.102  12.780
  423    HE1  HIS 237           1HE      HIS 237  10.896  -0.989  12.535
  424    HE2  HIS 237           2HE      HIS 237  11.707  -3.354  12.230
  Start of MODEL    5
    1   1H    GLY 521          1HT       GLY 521 -17.381  13.740  -1.021
    2   2H    GLY 521          2HT       GLY 521 -17.474  15.415  -0.815
    3   3H    GLY 521          3HT       GLY 521 -18.597  14.407  -0.052
    4   1HA   GLY 521          1HA       GLY 521 -16.019  13.583   0.694
    5   2HA   GLY 521          2HA       GLY 521 -16.148  15.319   0.933
    6    HA   PRO 522           HA       PRO 522 -18.457  15.028   4.664
    7   1HB   PRO 522          2HB       PRO 522 -20.930  16.046   3.358
    8   2HB   PRO 522          1HB       PRO 522 -20.080  16.652   4.783
    9   1HG   PRO 522          2HG       PRO 522 -19.915  17.936   2.457
   10   2HG   PRO 522          1HG       PRO 522 -18.502  17.792   3.520
   11   1HD   PRO 522          2HD       PRO 522 -19.148  16.306   1.009
   12   2HD   PRO 522          1HD       PRO 522 -17.579  16.888   1.605
   13    H    LEU 523           H        LEU 523 -20.239  13.913   1.823
   14    HA   LEU 523           HA       LEU 523 -21.394  11.765   3.478
   15   1HB   LEU 523          2HB       LEU 523 -22.766  13.670   2.020
   16   2HB   LEU 523          1HB       LEU 523 -22.758  12.280   0.951
   17    HG   LEU 523           HG       LEU 523 -23.682  12.123   3.814
   18   1HD1  LEU 523          1HD1      LEU 523 -25.148  13.687   2.811
   19   2HD1  LEU 523          2HD1      LEU 523 -25.984  12.134   2.796
   20   3HD1  LEU 523          3HD1      LEU 523 -25.240  12.749   1.320
   21   1HD2  LEU 523          1HD2      LEU 523 -23.284   9.960   3.137
   22   2HD2  LEU 523          2HD2      LEU 523 -23.683  10.299   1.453
   23   3HD2  LEU 523          3HD2      LEU 523 -24.968  10.167   2.654
   24    H    GLY 524           H        GLY 524 -18.837  11.616   2.266
   25   1HA   GLY 524          2HA       GLY 524 -18.748  10.414  -0.244
   26   2HA   GLY 524          1HA       GLY 524 -17.583  10.132   1.041
   27    H    SER 525           H        SER 525 -18.172   8.116  -0.700
   28    HA   SER 525           HA       SER 525 -19.986   6.350   0.795
   29   1HB   SER 525          2HB       SER 525 -19.046   6.333  -2.069
   30   2HB   SER 525          1HB       SER 525 -19.788   4.914  -1.329
   31    HG   SER 525           HG       SER 525 -20.916   7.419  -1.909
   32    H    GLY 526           H        GLY 526 -16.737   6.611  -0.550
   33   1HA   GLY 526          2HA       GLY 526 -15.954   4.331   1.155
   34   2HA   GLY 526          1HA       GLY 526 -15.367   4.473  -0.495
   35    H    GLU 527           H        GLU 527 -14.361   4.763   2.520
   36    HA   GLU 527           HA       GLU 527 -12.874   7.257   2.204
   37   1HB   GLU 527          2HB       GLU 527 -13.137   5.337   4.520
   38   2HB   GLU 527          1HB       GLU 527 -12.105   6.760   4.545
   39   1HG   GLU 527          2HG       GLU 527 -15.023   6.991   3.933
   40   2HG   GLU 527          1HG       GLU 527 -14.444   6.900   5.596
   41    H    GLU 528           H        GLU 528 -12.103   3.900   3.144
   42    HA   GLU 528           HA       GLU 528  -9.432   4.286   1.968
   43   1HB   GLU 528          2HB       GLU 528 -10.167   3.360   4.494
   44   2HB   GLU 528          1HB       GLU 528  -9.722   1.906   3.609
   45   1HG   GLU 528          2HG       GLU 528  -7.649   3.423   2.935
   46   2HG   GLU 528          1HG       GLU 528  -8.056   4.196   4.467
   47    H    GLU 529           H        GLU 529  -8.758   3.014   0.335
   48    HA   GLU 529           HA       GLU 529 -10.677   1.069  -0.716
   49   1HB   GLU 529          2HB       GLU 529  -9.976   2.812  -2.261
   50   2HB   GLU 529          1HB       GLU 529  -8.288   2.393  -2.008
   51   1HG   GLU 529          2HG       GLU 529  -8.631   1.281  -3.943
   52   2HG   GLU 529          1HG       GLU 529  -9.148   0.022  -2.823
   53    HA   PRO 530           HA       PRO 530  -8.167  -2.214   1.076
   54   1HB   PRO 530          2HB       PRO 530  -9.580  -3.717  -1.083
   55   2HB   PRO 530          1HB       PRO 530  -9.369  -4.130   0.623
   56   1HG   PRO 530          2HG       PRO 530 -11.696  -3.195  -0.265
   57   2HG   PRO 530          1HG       PRO 530 -11.059  -2.699   1.315
   58   1HD   PRO 530          2HD       PRO 530 -11.166  -1.184  -1.248
   59   2HD   PRO 530          1HD       PRO 530 -11.306  -0.595   0.421
   60    H    LEU 531           H        LEU 531  -6.209  -3.011   0.573
   61    HA   LEU 531           HA       LEU 531  -4.941  -2.257  -1.867
   62   1HB   LEU 531          2HB       LEU 531  -3.799  -4.312  -0.021
   63   2HB   LEU 531          1HB       LEU 531  -2.978  -3.051  -0.924
   64    HG   LEU 531           HG       LEU 531  -4.712  -1.764   0.911
   65   1HD1  LEU 531          1HD1      LEU 531  -3.661  -4.272   1.922
   66   2HD1  LEU 531          2HD1      LEU 531  -4.848  -3.175   2.626
   67   3HD1  LEU 531          3HD1      LEU 531  -3.126  -2.885   2.871
   68   1HD2  LEU 531          1HD2      LEU 531  -2.299  -1.298   1.924
   69   2HD2  LEU 531          2HD2      LEU 531  -2.852  -0.558   0.421
   70   3HD2  LEU 531          3HD2      LEU 531  -1.806  -1.977   0.373
   71    HA   PRO 532           HA       PRO 532  -5.969  -5.521  -4.642
   72   1HB   PRO 532          2HB       PRO 532  -3.034  -5.381  -5.244
   73   2HB   PRO 532          1HB       PRO 532  -4.408  -5.417  -6.359
   74   1HG   PRO 532          2HG       PRO 532  -3.226  -3.131  -5.897
   75   2HG   PRO 532          1HG       PRO 532  -4.997  -3.203  -5.903
   76   1HD   PRO 532          2HD       PRO 532  -3.119  -3.067  -3.574
   77   2HD   PRO 532          1HD       PRO 532  -4.680  -2.253  -3.813
   78    HA   PRO 533           HA       PRO 533  -5.057  -9.686  -3.526
   79   1HB   PRO 533          2HB       PRO 533  -2.897  -9.785  -5.576
   80   2HB   PRO 533          1HB       PRO 533  -4.125 -10.992  -5.185
   81   1HG   PRO 533          2HG       PRO 533  -4.440  -9.390  -7.281
   82   2HG   PRO 533          1HG       PRO 533  -5.820  -9.804  -6.246
   83   1HD   PRO 533          2HD       PRO 533  -4.321  -7.264  -6.472
   84   2HD   PRO 533          1HD       PRO 533  -6.005  -7.535  -5.991
   85    H    ARG 534           H        ARG 534  -1.924  -8.413  -4.452
   86    HA   ARG 534           HA       ARG 534  -0.902  -9.280  -1.831
   87   1HB   ARG 534          2HB       ARG 534   0.415  -9.380  -4.540
   88   2HB   ARG 534          1HB       ARG 534   1.305  -9.586  -3.038
   89   1HG   ARG 534          2HG       ARG 534  -1.053 -11.294  -3.771
   90   2HG   ARG 534          1HG       ARG 534   0.600 -11.696  -4.233
   91   1HD   ARG 534          2HD       ARG 534   0.249 -11.023  -1.399
   92   2HD   ARG 534          1HD       ARG 534  -0.612 -12.470  -1.920
   93    HE   ARG 534           HE       ARG 534   2.048 -12.538  -2.864
   94   1HH1  ARG 534          1HH1      ARG 534   0.186 -12.854   0.063
   95   2HH1  ARG 534          2HH1      ARG 534   1.331 -13.901   0.833
   96   1HH2  ARG 534          1HH2      ARG 534   3.564 -13.917  -1.858
   97   2HH2  ARG 534          2HH2      ARG 534   3.252 -14.505  -0.259
   98    H    TRP 535           H        TRP 535  -1.612  -7.048  -1.285
   99    HA   TRP 535           HA       TRP 535   0.685  -5.308  -1.470
  100   1HB   TRP 535          2HB       TRP 535  -1.958  -4.631  -2.709
  101   2HB   TRP 535          1HB       TRP 535  -0.867  -3.367  -2.140
  102    HD1  TRP 535           HD       TRP 535  -1.256  -5.962  -4.892
  103    HE1  TRP 535           1HE      TRP 535   0.526  -5.533  -6.697
  104    HE3  TRP 535           3HE      TRP 535   1.510  -2.455  -2.450
  105    HZ2  TRP 535           2HZ      TRP 535   2.818  -3.903  -7.028
  106    HZ3  TRP 535           3HZ      TRP 535   3.489  -1.507  -3.567
  107    HH2  TRP 535           HH       TRP 535   4.129  -2.221  -5.812
  108    H    SER 536           H        SER 536   0.700  -3.597   0.029
  109    HA   SER 536           HA       SER 536  -1.450  -3.421   1.972
  110   1HB   SER 536          2HB       SER 536   1.232  -4.611   2.554
  111   2HB   SER 536          1HB       SER 536   0.461  -3.629   3.796
  112    HG   SER 536           HG       SER 536  -0.168  -5.758   4.069
  113    H    MET 537           H        MET 537  -0.360  -1.882   3.876
  114    HA   MET 537           HA       MET 537   1.166   0.245   2.588
  115   1HB   MET 537          2HB       MET 537  -1.677   0.434   3.421
  116   2HB   MET 537          1HB       MET 537  -0.643   1.800   3.816
  117   1HG   MET 537          2HG       MET 537  -0.161   1.041   1.116
  118   2HG   MET 537          1HG       MET 537  -1.898   1.200   1.365
  119   1HE   MET 537          1HE       MET 537  -2.541   3.509   3.221
  120   2HE   MET 537          2HE       MET 537  -3.152   3.307   1.579
  121   3HE   MET 537          3HE       MET 537  -2.494   4.861   2.091
  122    H    GLN 538           H        GLN 538   2.454   1.371   3.959
  123    HA   GLN 538           HA       GLN 538   2.046   1.189   6.830
  124   1HB   GLN 538          2HB       GLN 538   4.065  -0.351   5.380
  125   2HB   GLN 538          1HB       GLN 538   4.747   0.645   6.658
  126   1HG   GLN 538          2HG       GLN 538   2.357  -0.837   7.452
  127   2HG   GLN 538          1HG       GLN 538   3.718  -1.854   6.981
  128   1HE2  GLN 538          1HE2      GLN 538   5.099  -2.337   8.522
  129   2HE2  GLN 538          2HE2      GLN 538   5.358  -1.445   9.978
  130    H    VAL 539           H        VAL 539   3.314   2.711   8.031
  131    HA   VAL 539           HA       VAL 539   4.065   5.025   6.407
  132    HB   VAL 539           HB       VAL 539   2.452   5.430   8.193
  133   1HG1  VAL 539          1HG1      VAL 539   3.953   3.622   9.640
  134   2HG1  VAL 539          2HG1      VAL 539   2.623   4.602  10.255
  135   3HG1  VAL 539          3HG1      VAL 539   4.285   5.164  10.428
  136   1HG2  VAL 539          1HG2      VAL 539   4.689   6.923   7.646
  137   2HG2  VAL 539          2HG2      VAL 539   4.719   6.810   9.405
  138   3HG2  VAL 539          3HG2      VAL 539   3.299   7.462   8.587
  139    H    ALA 540           H        ALA 540   6.085   5.789   6.263
  140    HA   ALA 540           HA       ALA 540   8.182   4.378   7.769
  141   1HB   ALA 540          1HB       ALA 540   9.262   5.919   5.629
  142   2HB   ALA 540          2HB       ALA 540   7.904   4.972   5.018
  143   3HB   ALA 540          3HB       ALA 540   9.246   4.168   5.833
  144    HA   PRO 541           HA       PRO 541   9.580   8.128   9.642
  145   1HB   PRO 541          2HB       PRO 541  12.255   8.150   9.356
  146   2HB   PRO 541          1HB       PRO 541  11.431   6.948  10.356
  147   1HG   PRO 541          2HG       PRO 541  12.517   6.685   7.584
  148   2HG   PRO 541          1HG       PRO 541  12.582   5.531   8.928
  149   1HD   PRO 541          2HD       PRO 541  10.785   5.390   6.860
  150   2HD   PRO 541          1HD       PRO 541  10.501   4.702   8.469
  151    H    ASN 542           H        ASN 542  10.388   7.704   6.295
  152    HA   ASN 542           HA       ASN 542  11.622  10.075   5.628
  153   1HB   ASN 542          2HB       ASN 542  11.199   8.209   4.051
  154   2HB   ASN 542          1HB       ASN 542   9.495   8.649   4.015
  155   1HD2  ASN 542          1HD2      ASN 542   9.523   9.051   1.819
  156   2HD2  ASN 542          2HD2      ASN 542  10.296  10.438   1.139
  157    H    GLY 543           H        GLY 543   8.224   9.453   6.281
  158   1HA   GLY 543          2HA       GLY 543   7.152  11.476   7.353
  159   2HA   GLY 543          1HA       GLY 543   7.685  12.333   5.917
  160    H    ARG 544           H        ARG 544   6.973   9.565   4.543
  161    HA   ARG 544           HA       ARG 544   4.071  10.027   4.448
  162   1HB   ARG 544          2HB       ARG 544   4.108   9.716   2.007
  163   2HB   ARG 544          1HB       ARG 544   5.026  11.129   2.507
  164   1HG   ARG 544          2HG       ARG 544   6.735   8.824   2.388
  165   2HG   ARG 544          1HG       ARG 544   5.874   9.038   0.863
  166   1HD   ARG 544          2HD       ARG 544   6.574  11.557   1.225
  167   2HD   ARG 544          1HD       ARG 544   7.842  10.823   2.206
  168    HE   ARG 544           HE       ARG 544   7.941   9.428  -0.118
  169   1HH1  ARG 544          1HH1      ARG 544   8.033  12.819   0.667
  170   2HH1  ARG 544          2HH1      ARG 544   9.024  13.239  -0.689
  171   1HH2  ARG 544          1HH2      ARG 544   9.247   9.969  -1.907
  172   2HH2  ARG 544          2HH2      ARG 544   9.715  11.618  -2.153
  173    H    THR 545           H        THR 545   2.810   8.245   3.678
  174    HA   THR 545           HA       THR 545   3.873   5.715   4.586
  175    HB   THR 545           HB       THR 545   1.494   4.946   3.807
  176    HG1  THR 545           1HG      THR 545   1.185   7.093   2.758
  177   1HG2  THR 545          1HG2      THR 545   2.310   6.524   6.195
  178   2HG2  THR 545          2HG2      THR 545   1.770   4.850   6.079
  179   3HG2  THR 545          3HG2      THR 545   0.597   6.164   5.986
  180    H    PHE 546           H        PHE 546   4.066   3.849   3.361
  181    HA   PHE 546           HA       PHE 546   4.066   4.256   0.446
  182   1HB   PHE 546          2HB       PHE 546   5.926   2.531   0.453
  183   2HB   PHE 546          1HB       PHE 546   6.339   4.107   1.116
  184    HD1  PHE 546           1HD      PHE 546   6.237   4.377   3.661
  185    HD2  PHE 546           2HD      PHE 546   6.261   0.602   1.693
  186    HE1  PHE 546           1HE      PHE 546   6.974   3.294   5.746
  187    HE2  PHE 546           2HE      PHE 546   6.999  -0.484   3.772
  188    HZ   PHE 546           HZ       PHE 546   7.356   0.863   5.803
  189    H    PHE 547           H        PHE 547   4.399   1.810  -0.514
  190    HA   PHE 547           HA       PHE 547   2.160   0.262   0.600
  191   1HB   PHE 547          2HB       PHE 547   2.844   1.048  -2.159
  192   2HB   PHE 547          1HB       PHE 547   2.384  -0.643  -1.970
  193    HD1  PHE 547           1HD      PHE 547   1.260   2.816  -1.221
  194    HD2  PHE 547           2HD      PHE 547   0.139  -1.243  -1.830
  195    HE1  PHE 547           1HE      PHE 547  -1.111   3.470  -1.199
  196    HE2  PHE 547           2HE      PHE 547  -2.234  -0.596  -1.813
  197    HZ   PHE 547           HZ       PHE 547  -2.861   1.764  -1.496
  198    H    ILE 548           H        ILE 548   2.300  -2.101   0.116
  199    HA   ILE 548           HA       ILE 548   5.091  -3.036   0.055
  200    HB   ILE 548           HB       ILE 548   2.951  -3.884   1.998
  201   1HG1  ILE 548          2HG1      ILE 548   5.556  -2.400   2.295
  202   2HG1  ILE 548          1HG1      ILE 548   3.939  -1.850   2.716
  203   1HG2  ILE 548          1HG2      ILE 548   3.985  -5.830   2.279
  204   2HG2  ILE 548          2HG2      ILE 548   5.507  -5.000   2.609
  205   3HG2  ILE 548          3HG2      ILE 548   5.072  -5.424   0.952
  206   1HD1  ILE 548          1HD1      ILE 548   3.983  -3.848   4.376
  207   2HD1  ILE 548          2HD1      ILE 548   4.823  -2.348   4.773
  208   3HD1  ILE 548          3HD1      ILE 548   5.731  -3.734   4.167
  209    H    ASP 549           H        ASP 549   5.193  -4.157  -1.801
  210    HA   ASP 549           HA       ASP 549   2.934  -5.635  -2.810
  211   1HB   ASP 549          2HB       ASP 549   4.504  -4.476  -4.327
  212   2HB   ASP 549          1HB       ASP 549   5.794  -5.551  -3.800
  213    H    HIS 550           H        HIS 550   2.390  -7.485  -1.867
  214    HA   HIS 550           HA       HIS 550   4.286  -9.124  -0.477
  215   1HB   HIS 550          2HB       HIS 550   1.359  -9.457  -1.116
  216   2HB   HIS 550          1HB       HIS 550   2.283 -10.666  -0.234
  217    HD2  HIS 550           2HD      HIS 550   1.536  -6.807   0.234
  218    HE1  HIS 550           1HE      HIS 550   1.696  -8.760   3.986
  219    HE2  HIS 550           2HE      HIS 550   1.462  -6.525   2.813
  220    H    ALA 551           H        ALA 551   3.108  -8.980  -3.704
  221    HA   ALA 551           HA       ALA 551   3.447 -11.703  -4.419
  222   1HB   ALA 551          1HB       ALA 551   3.825 -10.396  -6.762
  223   2HB   ALA 551          2HB       ALA 551   2.976  -9.165  -5.825
  224   3HB   ALA 551          3HB       ALA 551   2.244 -10.751  -6.065
  225    H    SER 552           H        SER 552   5.532  -8.851  -4.831
  226    HA   SER 552           HA       SER 552   7.768 -10.607  -5.533
  227   1HB   SER 552          2HB       SER 552   6.952  -8.029  -6.400
  228   2HB   SER 552          1HB       SER 552   8.498  -7.839  -5.573
  229    HG   SER 552           HG       SER 552   8.853  -8.322  -7.743
  230    H    ARG 553           H        ARG 553   6.511  -8.852  -2.887
  231    HA   ARG 553           HA       ARG 553   7.234  -8.683  -0.732
  232   1HB   ARG 553          2HB       ARG 553   9.835  -9.962  -1.570
  233   2HB   ARG 553          1HB       ARG 553   9.144  -9.882   0.044
  234   1HG   ARG 553          2HG       ARG 553   7.903 -11.389  -2.245
  235   2HG   ARG 553          1HG       ARG 553   8.969 -12.111  -1.036
  236   1HD   ARG 553          2HD       ARG 553   7.266 -11.014   0.640
  237   2HD   ARG 553          1HD       ARG 553   6.187 -11.077  -0.753
  238    HE   ARG 553           HE       ARG 553   7.274 -13.591  -0.560
  239   1HH1  ARG 553          1HH1      ARG 553   5.419 -11.492   1.506
  240   2HH1  ARG 553          2HH1      ARG 553   4.647 -12.791   2.351
  241   1HH2  ARG 553          1HH2      ARG 553   6.260 -15.311   0.544
  242   2HH2  ARG 553          2HH2      ARG 553   5.125 -14.962   1.805
  243    H    ARG 554           H        ARG 554   7.323  -6.478  -2.147
  244    HA   ARG 554           HA       ARG 554   9.730  -5.143  -1.170
  245   1HB   ARG 554          2HB       ARG 554   8.813  -5.209  -4.029
  246   2HB   ARG 554          1HB       ARG 554   9.688  -3.816  -3.408
  247   1HG   ARG 554          2HG       ARG 554  11.631  -5.039  -3.047
  248   2HG   ARG 554          1HG       ARG 554  10.777  -6.583  -3.083
  249   1HD   ARG 554          2HD       ARG 554  10.213  -5.764  -5.548
  250   2HD   ARG 554          1HD       ARG 554  11.714  -4.869  -5.319
  251    HE   ARG 554           HE       ARG 554  11.410  -7.725  -5.609
  252   1HH1  ARG 554          1HH1      ARG 554  13.471  -5.128  -4.532
  253   2HH1  ARG 554          2HH1      ARG 554  14.925  -6.059  -4.658
  254   1HH2  ARG 554          1HH2      ARG 554  13.319  -8.957  -5.775
  255   2HH2  ARG 554          2HH2      ARG 554  14.839  -8.234  -5.364
  256    H    THR 555           H        THR 555   9.378  -2.628  -1.864
  257    HA   THR 555           HA       THR 555   6.592  -1.932  -1.237
  258    HB   THR 555           HB       THR 555   7.372  -0.159   0.297
  259    HG1  THR 555           1HG      THR 555   9.910  -1.431   0.263
  260   1HG2  THR 555          1HG2      THR 555   6.958  -2.747   0.881
  261   2HG2  THR 555          2HG2      THR 555   7.364  -1.538   2.101
  262   3HG2  THR 555          3HG2      THR 555   8.622  -2.584   1.443
  263    H    THR 556           H        THR 556   6.030   0.293  -1.737
  264    HA   THR 556           HA       THR 556   7.824   1.785  -3.458
  265    HB   THR 556           HB       THR 556   6.845   0.318  -5.104
  266    HG1  THR 556           1HG      THR 556   5.544   2.019  -6.266
  267   1HG2  THR 556          1HG2      THR 556   4.515   0.552  -3.463
  268   2HG2  THR 556          2HG2      THR 556   4.816  -0.550  -4.807
  269   3HG2  THR 556          3HG2      THR 556   4.113   1.038  -5.109
  270    H    TRP 557           H        TRP 557   6.845   3.862  -4.142
  271    HA   TRP 557           HA       TRP 557   5.382   5.007  -1.914
  272   1HB   TRP 557          2HB       TRP 557   6.854   6.145  -4.274
  273   2HB   TRP 557          1HB       TRP 557   5.826   7.160  -3.267
  274    HD1  TRP 557           HD       TRP 557   9.294   6.477  -3.595
  275    HE1  TRP 557           1HE      TRP 557  10.573   6.738  -1.377
  276    HE3  TRP 557           3HE      TRP 557   5.335   6.388  -0.386
  277    HZ2  TRP 557           2HZ      TRP 557   9.972   6.892   1.383
  278    HZ3  TRP 557           3HZ      TRP 557   5.765   6.598   2.034
  279    HH2  TRP 557           HH       TRP 557   8.037   6.844   2.896
  280    H    ILE 558           H        ILE 558   4.719   3.884  -5.078
  281    HA   ILE 558           HA       ILE 558   2.264   5.469  -5.254
  282    HB   ILE 558           HB       ILE 558   3.279   3.581  -7.361
  283   1HG1  ILE 558          2HG1      ILE 558   3.913   6.297  -7.989
  284   2HG1  ILE 558          1HG1      ILE 558   4.601   5.921  -6.410
  285   1HG2  ILE 558          1HG2      ILE 558   1.134   4.212  -7.931
  286   2HG2  ILE 558          2HG2      ILE 558   2.099   5.432  -8.761
  287   3HG2  ILE 558          3HG2      ILE 558   1.310   5.824  -7.234
  288   1HD1  ILE 558          1HD1      ILE 558   5.585   5.247  -8.968
  289   2HD1  ILE 558          2HD1      ILE 558   5.132   3.747  -8.158
  290   3HD1  ILE 558          3HD1      ILE 558   6.268   4.857  -7.390
  291    H    ASP 559           H        ASP 559   0.237   4.518  -5.503
  292    HA   ASP 559           HA       ASP 559   0.033   1.848  -4.345
  293   1HB   ASP 559          2HB       ASP 559  -2.280   2.390  -3.891
  294   2HB   ASP 559          1HB       ASP 559  -1.265   3.726  -3.357
  295    HA   PRO 560           HA       PRO 560  -1.193   0.157  -8.258
  296   1HB   PRO 560          2HB       PRO 560  -2.184  -2.234  -7.272
  297   2HB   PRO 560          1HB       PRO 560  -0.490  -1.899  -7.619
  298   1HG   PRO 560          2HG       PRO 560  -1.752  -2.286  -5.058
  299   2HG   PRO 560          1HG       PRO 560  -0.043  -2.056  -5.428
  300   1HD   PRO 560          2HD       PRO 560  -1.957  -0.144  -4.367
  301   2HD   PRO 560          1HD       PRO 560  -0.192  -0.035  -4.462
  302    H    ARG 561           H        ARG 561  -3.448   0.141  -5.559
  303    HA   ARG 561           HA       ARG 561  -5.782  -0.603  -6.861
  304   1HB   ARG 561          2HB       ARG 561  -6.878   0.917  -5.082
  305   2HB   ARG 561          1HB       ARG 561  -5.941  -0.465  -4.540
  306   1HG   ARG 561          2HG       ARG 561  -4.228   0.835  -3.734
  307   2HG   ARG 561          1HG       ARG 561  -4.601   2.181  -4.812
  308   1HD   ARG 561          2HD       ARG 561  -5.658   3.141  -3.108
  309   2HD   ARG 561          1HD       ARG 561  -6.877   1.875  -3.240
  310    HE   ARG 561           HE       ARG 561  -5.014   0.709  -1.700
  311   1HH1  ARG 561          1HH1      ARG 561  -6.565   3.824  -1.531
  312   2HH1  ARG 561          2HH1      ARG 561  -6.452   3.932   0.193
  313   1HH2  ARG 561          1HH2      ARG 561  -4.863   0.841   0.571
  314   2HH2  ARG 561          2HH2      ARG 561  -5.484   2.236   1.388
  315    H    ASN 562           H        ASN 562  -3.968   2.333  -7.066
  316    HA   ASN 562           HA       ASN 562  -5.952   3.392  -8.951
  317   1HB   ASN 562          2HB       ASN 562  -4.497   5.348  -7.229
  318   2HB   ASN 562          1HB       ASN 562  -6.070   5.491  -8.001
  319   1HD2  ASN 562          1HD2      ASN 562  -4.724   5.499  -5.132
  320   2HD2  ASN 562          2HD2      ASN 562  -5.940   4.731  -4.178
  321    H    GLY 563           H        GLY 563  -2.796   4.379  -7.612
  322   1HA   GLY 563          2HA       GLY 563  -0.825   3.910  -9.084
  323   2HA   GLY 563          1HA       GLY 563  -1.808   4.555 -10.391
  324    H    ARG 564           H        ARG 564  -1.601   5.839  -7.112
  325    HA   ARG 564           HA       ARG 564  -0.178   8.185  -8.176
  326   1HB   ARG 564          2HB       ARG 564  -2.323   8.423  -6.082
  327   2HB   ARG 564          1HB       ARG 564  -1.613   9.691  -7.072
  328   1HG   ARG 564          2HG       ARG 564  -3.170   9.435  -8.625
  329   2HG   ARG 564          1HG       ARG 564  -2.848   7.704  -8.738
  330   1HD   ARG 564          2HD       ARG 564  -4.864   7.380  -7.851
  331   2HD   ARG 564          1HD       ARG 564  -4.204   7.993  -6.336
  332    HE   ARG 564           HE       ARG 564  -5.384   9.935  -6.643
  333   1HH1  ARG 564          1HH1      ARG 564  -5.351   8.121  -9.614
  334   2HH1  ARG 564          2HH1      ARG 564  -6.509   9.140 -10.402
  335   1HH2  ARG 564          1HH2      ARG 564  -6.911  11.284  -7.669
  336   2HH2  ARG 564          2HH2      ARG 564  -7.396  10.939  -9.296
  337    H    ALA 565           H        ALA 565   1.111   9.338  -6.672
  338    HA   ALA 565           HA       ALA 565   2.585   7.762  -4.905
  339   1HB   ALA 565          1HB       ALA 565   3.207   9.991  -6.009
  340   2HB   ALA 565          2HB       ALA 565   3.791   9.688  -4.373
  341   3HB   ALA 565          3HB       ALA 565   2.402  10.743  -4.632
  342    H    SER 566           H        SER 566   1.233   6.696  -3.455
  343    HA   SER 566           HA       SER 566   0.006   6.368  -1.565
  344   1HB   SER 566          2HB       SER 566   0.748   8.879  -0.255
  345   2HB   SER 566          1HB       SER 566   1.062   7.215   0.238
  346    HG   SER 566           HG       SER 566   2.695   8.981  -1.021
  347   1H    THR 227          1HT       THR 227  16.713   8.968   0.202
  348   2H    THR 227          2HT       THR 227  16.083   9.623  -1.224
  349   3H    THR 227          3HT       THR 227  17.171   8.330  -1.297
  350    HA   THR 227           HA       THR 227  14.406   8.221  -1.216
  351    HB   THR 227           HB       THR 227  15.858   6.652  -2.414
  352    HG1  THR 227           1HG      THR 227  14.599   4.865  -1.987
  353   1HG2  THR 227          1HG2      THR 227  16.900   4.780  -1.064
  354   2HG2  THR 227          2HG2      THR 227  16.644   5.785   0.364
  355   3HG2  THR 227          3HG2      THR 227  17.694   6.350  -0.936
  356    H    GLY 228           H        GLY 228  12.925   7.328   0.205
  357   1HA   GLY 228          2HA       GLY 228  13.881   6.712   2.919
  358   2HA   GLY 228          1HA       GLY 228  12.618   7.915   2.701
  359    H    LEU 229           H        LEU 229  12.859   5.033   0.730
  360    HA   LEU 229           HA       LEU 229  10.334   4.102   1.912
  361   1HB   LEU 229          2HB       LEU 229  10.040   4.567  -0.393
  362   2HB   LEU 229          1HB       LEU 229  11.534   3.755  -0.823
  363    HG   LEU 229           HG       LEU 229   9.814   1.864   0.454
  364   1HD1  LEU 229          1HD1      LEU 229   8.538   3.224  -1.909
  365   2HD1  LEU 229          2HD1      LEU 229   8.025   3.453  -0.238
  366   3HD1  LEU 229          3HD1      LEU 229   7.907   1.860  -0.987
  367   1HD2  LEU 229          1HD2      LEU 229  11.389   2.189  -1.968
  368   2HD2  LEU 229          2HD2      LEU 229   9.924   1.242  -2.228
  369   3HD2  LEU 229          3HD2      LEU 229  11.087   0.748  -0.998
  370    HA   PRO 230           HA       PRO 230  13.175   1.025   3.754
  371   1HB   PRO 230          2HB       PRO 230  10.506   0.170   4.777
  372   2HB   PRO 230          1HB       PRO 230  12.035   0.362   5.644
  373   1HG   PRO 230          2HG       PRO 230  10.105   2.175   5.890
  374   2HG   PRO 230          1HG       PRO 230  11.807   2.665   5.806
  375   1HD   PRO 230          2HD       PRO 230   9.679   2.830   3.721
  376   2HD   PRO 230          1HD       PRO 230  11.029   3.936   4.051
  377    H    SER 231           H        SER 231  12.568  -1.501   4.093
  378    HA   SER 231           HA       SER 231  11.754  -2.426   1.424
  379   1HB   SER 231          2HB       SER 231  13.771  -3.372   3.401
  380   2HB   SER 231          1HB       SER 231  12.975  -4.589   2.402
  381    HG   SER 231           HG       SER 231  14.672  -3.965   1.202
  382    H    TYR 232           H        TYR 232  11.017  -4.863   1.574
  383    HA   TYR 232           HA       TYR 232   8.530  -4.836   2.956
  384   1HB   TYR 232          2HB       TYR 232   8.860  -5.960   0.775
  385   2HB   TYR 232          1HB       TYR 232   9.908  -7.140   1.560
  386    HD1  TYR 232           1HD      TYR 232   8.796  -8.381   3.625
  387    HD2  TYR 232           2HD      TYR 232   6.639  -6.498   0.480
  388    HE1  TYR 232           1HE      TYR 232   6.836  -9.771   4.145
  389    HE2  TYR 232           2HE      TYR 232   4.672  -7.882   0.992
  390    HH   TYR 232           HH       TYR 232   4.047  -9.291   3.616
  391    H    ASP 233           H        ASP 233  11.639  -6.379   3.519
  392    HA   ASP 233           HA       ASP 233  10.670  -7.955   5.730
  393   1HB   ASP 233          2HB       ASP 233  13.482  -7.393   4.767
  394   2HB   ASP 233          1HB       ASP 233  13.065  -8.542   6.035
  395    H    GLU 234           H        GLU 234  12.219  -4.861   5.272
  396    HA   GLU 234           HA       GLU 234  12.610  -4.545   8.152
  397   1HB   GLU 234          2HB       GLU 234  13.398  -2.755   5.846
  398   2HB   GLU 234          1HB       GLU 234  13.774  -2.449   7.535
  399   1HG   GLU 234          2HG       GLU 234  14.671  -4.909   6.060
  400   2HG   GLU 234          1HG       GLU 234  15.629  -3.432   6.170
  401    H    ALA 235           H        ALA 235   9.944  -4.642   6.955
  402    HA   ALA 235           HA       ALA 235   8.881  -2.269   8.210
  403   1HB   ALA 235          1HB       ALA 235   9.329  -1.454   5.947
  404   2HB   ALA 235          2HB       ALA 235   7.598  -1.514   6.279
  405   3HB   ALA 235          3HB       ALA 235   8.349  -2.759   5.281
  406    H    LEU 236           H        LEU 236   8.464  -4.533   9.322
  407    HA   LEU 236           HA       LEU 236   5.677  -5.156   8.757
  408   1HB   LEU 236          2HB       LEU 236   7.651  -6.821   7.789
  409   2HB   LEU 236          1HB       LEU 236   7.217  -7.578   9.310
  410    HG   LEU 236           HG       LEU 236   5.121  -6.822   7.294
  411   1HD1  LEU 236          1HD1      LEU 236   6.480  -9.502   7.459
  412   2HD1  LEU 236          2HD1      LEU 236   6.871  -8.278   6.251
  413   3HD1  LEU 236          3HD1      LEU 236   5.254  -8.979   6.303
  414   1HD2  LEU 236          1HD2      LEU 236   3.699  -7.822   8.688
  415   2HD2  LEU 236          2HD2      LEU 236   4.993  -7.763   9.886
  416   3HD2  LEU 236          3HD2      LEU 236   4.764  -9.211   8.905
  417    H    HIS 237           H        HIS 237   6.352  -3.665  10.823
  418    HA   HIS 237           HA       HIS 237   6.473  -5.470  13.146
  419   1HB   HIS 237          2HB       HIS 237   7.076  -3.335  14.401
  420   2HB   HIS 237          1HB       HIS 237   8.286  -3.954  13.282
  421    HD1  HIS 237           1HD      HIS 237   6.235  -1.000  14.015
  422    HD2  HIS 237           2HD      HIS 237   8.476  -2.444  10.829
  423    HE1  HIS 237           1HE      HIS 237   6.582   0.970  12.492
  424    HE2  HIS 237           2HE      HIS 237   8.033   0.096  10.627
  Start of MODEL    6
    1   1H    GLY 521          1HT       GLY 521 -18.654  17.304   7.299
    2   2H    GLY 521          2HT       GLY 521 -20.271  16.915   6.991
    3   3H    GLY 521          3HT       GLY 521 -19.039  16.182   6.093
    4   1HA   GLY 521          2HA       GLY 521 -19.919  14.656   7.749
    5   2HA   GLY 521          1HA       GLY 521 -19.520  15.821   9.001
    6    HA   PRO 522           HA       PRO 522 -15.006  15.051   8.171
    7   1HB   PRO 522          2HB       PRO 522 -15.015  15.530  11.102
    8   2HB   PRO 522          1HB       PRO 522 -13.940  16.178   9.858
    9   1HG   PRO 522          2HG       PRO 522 -15.820  17.706  10.972
   10   2HG   PRO 522          1HG       PRO 522 -15.430  17.843   9.247
   11   1HD   PRO 522          2HD       PRO 522 -17.760  16.514  10.568
   12   2HD   PRO 522          1HD       PRO 522 -17.700  17.447   9.059
   13    H    LEU 523           H        LEU 523 -17.013  13.967  10.897
   14    HA   LEU 523           HA       LEU 523 -15.550  11.421  10.914
   15   1HB   LEU 523          2HB       LEU 523 -16.481  13.100  12.976
   16   2HB   LEU 523          1HB       LEU 523 -17.486  11.663  13.029
   17    HG   LEU 523           HG       LEU 523 -15.582  11.439  14.527
   18   1HD1  LEU 523          1HD1      LEU 523 -16.490   9.454  13.345
   19   2HD1  LEU 523          2HD1      LEU 523 -14.794   9.295  13.799
   20   3HD1  LEU 523          3HD1      LEU 523 -15.229   9.653  12.128
   21   1HD2  LEU 523          1HD2      LEU 523 -14.051  12.936  13.308
   22   2HD2  LEU 523          2HD2      LEU 523 -13.864  11.700  12.063
   23   3HD2  LEU 523          3HD2      LEU 523 -13.307  11.387  13.707
   24    H    GLY 524           H        GLY 524 -17.354  11.894   8.812
   25   1HA   GLY 524          2HA       GLY 524 -19.327   9.790   9.390
   26   2HA   GLY 524          1HA       GLY 524 -19.869  11.295   8.661
   27    H    SER 525           H        SER 525 -16.823   9.693   7.943
   28    HA   SER 525           HA       SER 525 -17.818   8.503   5.513
   29   1HB   SER 525          2HB       SER 525 -17.084  11.149   5.319
   30   2HB   SER 525          1HB       SER 525 -15.598  10.313   4.864
   31    HG   SER 525           HG       SER 525 -18.114   9.654   3.750
   32    H    GLY 526           H        GLY 526 -16.949   6.558   6.029
   33   1HA   GLY 526          2HA       GLY 526 -14.014   6.483   6.385
   34   2HA   GLY 526          1HA       GLY 526 -15.101   5.399   7.240
   35    H    GLU 527           H        GLU 527 -14.011   6.320   3.998
   36    HA   GLU 527           HA       GLU 527 -14.506   3.543   3.145
   37   1HB   GLU 527          2HB       GLU 527 -15.776   5.692   2.110
   38   2HB   GLU 527          1HB       GLU 527 -14.358   5.652   1.071
   39   1HG   GLU 527          2HG       GLU 527 -15.281   4.054  -0.136
   40   2HG   GLU 527          1HG       GLU 527 -15.350   3.009   1.282
   41    H    GLU 528           H        GLU 528 -12.748   2.442   2.578
   42    HA   GLU 528           HA       GLU 528 -10.454   3.863   1.453
   43   1HB   GLU 528          2HB       GLU 528 -10.079   3.669   3.901
   44   2HB   GLU 528          1HB       GLU 528 -10.212   1.921   3.757
   45   1HG   GLU 528          2HG       GLU 528  -8.246   1.851   2.356
   46   2HG   GLU 528          1HG       GLU 528  -8.140   3.611   2.371
   47    H    GLU 529           H        GLU 529 -10.175   2.924  -0.458
   48    HA   GLU 529           HA       GLU 529 -11.097   0.399  -1.198
   49   1HB   GLU 529          2HB       GLU 529 -10.590   2.090  -2.853
   50   2HB   GLU 529          1HB       GLU 529  -8.894   2.084  -2.391
   51   1HG   GLU 529          2HG       GLU 529  -9.001   0.855  -4.377
   52   2HG   GLU 529          1HG       GLU 529  -8.855  -0.347  -3.096
   53    HA   PRO 530           HA       PRO 530  -8.115  -2.124   1.048
   54   1HB   PRO 530          2HB       PRO 530  -9.180  -4.208  -0.783
   55   2HB   PRO 530          1HB       PRO 530  -9.043  -4.221   0.977
   56   1HG   PRO 530          2HG       PRO 530 -11.409  -3.896  -0.204
   57   2HG   PRO 530          1HG       PRO 530 -10.993  -3.001   1.271
   58   1HD   PRO 530          2HD       PRO 530 -11.052  -2.061  -1.567
   59   2HD   PRO 530          1HD       PRO 530 -11.534  -1.209  -0.086
   60    H    LEU 531           H        LEU 531  -6.161  -3.179   0.589
   61    HA   LEU 531           HA       LEU 531  -4.840  -2.332  -1.799
   62   1HB   LEU 531          2HB       LEU 531  -3.707  -4.468  -0.052
   63   2HB   LEU 531          1HB       LEU 531  -2.897  -3.129  -0.842
   64    HG   LEU 531           HG       LEU 531  -4.690  -2.029   1.070
   65   1HD1  LEU 531          1HD1      LEU 531  -3.242  -4.466   1.974
   66   2HD1  LEU 531          2HD1      LEU 531  -4.822  -3.847   2.451
   67   3HD1  LEU 531          3HD1      LEU 531  -3.355  -3.088   3.069
   68   1HD2  LEU 531          1HD2      LEU 531  -2.885  -0.715   0.743
   69   2HD2  LEU 531          2HD2      LEU 531  -1.797  -2.079   0.488
   70   3HD2  LEU 531          3HD2      LEU 531  -2.265  -1.615   2.125
   71    HA   PRO 532           HA       PRO 532  -5.729  -5.503  -4.694
   72   1HB   PRO 532          2HB       PRO 532  -2.775  -5.604  -5.100
   73   2HB   PRO 532          1HB       PRO 532  -4.069  -5.469  -6.292
   74   1HG   PRO 532          2HG       PRO 532  -2.650  -3.336  -5.634
   75   2HG   PRO 532          1HG       PRO 532  -4.401  -3.209  -5.871
   76   1HD   PRO 532          2HD       PRO 532  -2.831  -3.242  -3.331
   77   2HD   PRO 532          1HD       PRO 532  -4.305  -2.338  -3.737
   78    HA   PRO 533           HA       PRO 533  -5.171  -9.654  -3.431
   79   1HB   PRO 533          2HB       PRO 533  -3.146 -10.122  -5.553
   80   2HB   PRO 533          1HB       PRO 533  -4.564 -11.075  -5.119
   81   1HG   PRO 533          2HG       PRO 533  -4.595  -9.473  -7.247
   82   2HG   PRO 533          1HG       PRO 533  -6.026  -9.645  -6.213
   83   1HD   PRO 533          2HD       PRO 533  -4.108  -7.391  -6.434
   84   2HD   PRO 533          1HD       PRO 533  -5.831  -7.371  -6.016
   85    H    ARG 534           H        ARG 534  -2.051  -8.291  -4.282
   86    HA   ARG 534           HA       ARG 534  -0.959  -9.558  -1.860
   87   1HB   ARG 534          2HB       ARG 534   0.261  -9.456  -4.612
   88   2HB   ARG 534          1HB       ARG 534   1.212  -9.788  -3.172
   89   1HG   ARG 534          2HG       ARG 534  -1.220 -11.414  -3.787
   90   2HG   ARG 534          1HG       ARG 534   0.317 -11.755  -4.583
   91   1HD   ARG 534          2HD       ARG 534   0.237 -11.464  -1.613
   92   2HD   ARG 534          1HD       ARG 534  -0.332 -12.962  -2.349
   93    HE   ARG 534           HE       ARG 534   2.271 -12.090  -3.239
   94   1HH1  ARG 534          1HH1      ARG 534   0.492 -13.990  -0.920
   95   2HH1  ARG 534          2HH1      ARG 534   1.832 -15.020  -0.546
   96   1HH2  ARG 534          1HH2      ARG 534   4.038 -13.442  -2.752
   97   2HH2  ARG 534          2HH2      ARG 534   3.848 -14.708  -1.586
   98    H    TRP 535           H        TRP 535  -1.700  -7.193  -1.307
   99    HA   TRP 535           HA       TRP 535   0.775  -5.667  -1.271
  100   1HB   TRP 535          2HB       TRP 535  -1.794  -4.620  -2.424
  101   2HB   TRP 535          1HB       TRP 535  -0.522  -3.550  -1.835
  102    HD1  TRP 535           HD       TRP 535  -1.100  -6.259  -4.510
  103    HE1  TRP 535           1HE      TRP 535   0.542  -5.845  -6.447
  104    HE3  TRP 535           3HE      TRP 535   1.602  -2.437  -2.462
  105    HZ2  TRP 535           2HZ      TRP 535   2.708  -4.122  -7.022
  106    HZ3  TRP 535           3HZ      TRP 535   3.447  -1.465  -3.766
  107    HH2  TRP 535           HH       TRP 535   3.988  -2.290  -5.999
  108    H    SER 536           H        SER 536   0.671  -3.760   0.152
  109    HA   SER 536           HA       SER 536  -1.372  -3.737   2.199
  110   1HB   SER 536          2HB       SER 536   1.397  -4.776   2.667
  111   2HB   SER 536          1HB       SER 536   0.601  -3.867   3.948
  112    HG   SER 536           HG       SER 536   0.202  -6.121   4.102
  113    H    MET 537           H        MET 537  -0.291  -2.150   4.065
  114    HA   MET 537           HA       MET 537   1.061   0.057   2.707
  115   1HB   MET 537          2HB       MET 537  -1.709   0.104   3.774
  116   2HB   MET 537          1HB       MET 537  -0.706   1.512   4.096
  117   1HG   MET 537          2HG       MET 537  -0.481   0.721   1.343
  118   2HG   MET 537          1HG       MET 537  -2.170   0.956   1.790
  119   1HE   MET 537          1HE       MET 537  -2.929   2.837   3.205
  120   2HE   MET 537          2HE       MET 537  -3.188   3.700   1.690
  121   3HE   MET 537          3HE       MET 537  -2.384   4.505   3.036
  122    H    GLN 538           H        GLN 538   2.285   1.361   4.033
  123    HA   GLN 538           HA       GLN 538   2.142   1.142   6.898
  124   1HB   GLN 538          2HB       GLN 538   3.528  -0.862   5.891
  125   2HB   GLN 538          1HB       GLN 538   4.790   0.355   5.755
  126   1HG   GLN 538          2HG       GLN 538   5.310  -0.334   7.823
  127   2HG   GLN 538          1HG       GLN 538   4.018   0.769   8.295
  128   1HE2  GLN 538          1HE2      GLN 538   5.167  -1.952   9.225
  129   2HE2  GLN 538          2HE2      GLN 538   3.744  -2.880   9.540
  130    H    VAL 539           H        VAL 539   3.077   2.866   7.913
  131    HA   VAL 539           HA       VAL 539   3.981   5.022   6.187
  132    HB   VAL 539           HB       VAL 539   2.318   5.442   7.992
  133   1HG1  VAL 539          1HG1      VAL 539   3.904   3.901   9.562
  134   2HG1  VAL 539          2HG1      VAL 539   2.680   5.018  10.170
  135   3HG1  VAL 539          3HG1      VAL 539   4.370   5.518  10.091
  136   1HG2  VAL 539          1HG2      VAL 539   3.021   7.572   8.202
  137   2HG2  VAL 539          2HG2      VAL 539   4.297   7.053   7.100
  138   3HG2  VAL 539          3HG2      VAL 539   4.598   7.099   8.837
  139    H    ALA 540           H        ALA 540   6.039   5.585   5.906
  140    HA   ALA 540           HA       ALA 540   8.084   4.232   7.497
  141   1HB   ALA 540          1HB       ALA 540   9.296   4.167   5.631
  142   2HB   ALA 540          2HB       ALA 540   9.086   5.894   5.347
  143   3HB   ALA 540          3HB       ALA 540   7.864   4.754   4.784
  144    HA   PRO 541           HA       PRO 541   9.470   7.833   9.631
  145   1HB   PRO 541          2HB       PRO 541  12.164   7.757   9.433
  146   2HB   PRO 541          1HB       PRO 541  11.252   6.588  10.395
  147   1HG   PRO 541          2HG       PRO 541  12.389   6.296   7.641
  148   2HG   PRO 541          1HG       PRO 541  12.405   5.141   8.986
  149   1HD   PRO 541          2HD       PRO 541  10.641   4.990   6.922
  150   2HD   PRO 541          1HD       PRO 541  10.260   4.427   8.562
  151    H    ASN 542           H        ASN 542  10.501   7.465   6.332
  152    HA   ASN 542           HA       ASN 542  11.816   9.821   5.803
  153   1HB   ASN 542          2HB       ASN 542  11.621   8.143   4.099
  154   2HB   ASN 542          1HB       ASN 542   9.865   8.264   4.098
  155   1HD2  ASN 542          1HD2      ASN 542   9.464   8.895   2.079
  156   2HD2  ASN 542          2HD2      ASN 542  10.077  10.336   1.350
  157    H    GLY 543           H        GLY 543   8.329   9.259   6.030
  158   1HA   GLY 543          2HA       GLY 543   7.255  11.318   7.119
  159   2HA   GLY 543          1HA       GLY 543   7.895  12.156   5.713
  160    H    ARG 544           H        ARG 544   7.193   9.356   4.357
  161    HA   ARG 544           HA       ARG 544   4.332   9.938   4.019
  162   1HB   ARG 544          2HB       ARG 544   4.683   9.264   1.577
  163   2HB   ARG 544          1HB       ARG 544   5.246  10.856   2.062
  164   1HG   ARG 544          2HG       ARG 544   7.525  10.042   2.190
  165   2HG   ARG 544          1HG       ARG 544   6.982   8.412   1.791
  166   1HD   ARG 544          2HD       ARG 544   7.756   9.246  -0.241
  167   2HD   ARG 544          1HD       ARG 544   6.012   9.473  -0.337
  168    HE   ARG 544           HE       ARG 544   8.042  11.534  -0.154
  169   1HH1  ARG 544          1HH1      ARG 544   4.644  10.755   0.079
  170   2HH1  ARG 544          2HH1      ARG 544   4.129  12.389  -0.161
  171   1HH2  ARG 544          1HH2      ARG 544   7.358  13.681  -0.472
  172   2HH2  ARG 544          2HH2      ARG 544   5.666  14.048  -0.477
  173    H    THR 545           H        THR 545   3.056   8.163   3.202
  174    HA   THR 545           HA       THR 545   3.953   5.633   4.320
  175    HB   THR 545           HB       THR 545   1.509   5.027   3.408
  176    HG1  THR 545           1HG      THR 545   0.178   6.867   3.566
  177   1HG2  THR 545          1HG2      THR 545   0.738   6.140   5.706
  178   2HG2  THR 545          2HG2      THR 545   2.483   6.262   5.927
  179   3HG2  THR 545          3HG2      THR 545   1.737   4.688   5.652
  180    H    PHE 546           H        PHE 546   4.062   3.698   3.167
  181    HA   PHE 546           HA       PHE 546   4.143   4.022   0.245
  182   1HB   PHE 546          2HB       PHE 546   5.869   2.145   0.346
  183   2HB   PHE 546          1HB       PHE 546   6.385   3.733   0.901
  184    HD1  PHE 546           1HD      PHE 546   6.181   0.293   1.677
  185    HD2  PHE 546           2HD      PHE 546   6.237   4.163   3.451
  186    HE1  PHE 546           1HE      PHE 546   6.879  -0.702   3.816
  187    HE2  PHE 546           2HE      PHE 546   6.936   3.172   5.593
  188    HZ   PHE 546           HZ       PHE 546   7.258   0.738   5.777
  189    H    PHE 547           H        PHE 547   4.203   1.700  -0.792
  190    HA   PHE 547           HA       PHE 547   2.015   0.134   0.402
  191   1HB   PHE 547          2HB       PHE 547   2.228   1.344  -2.211
  192   2HB   PHE 547          1HB       PHE 547   2.058  -0.399  -2.357
  193    HD1  PHE 547           1HD      PHE 547   0.010  -1.478  -1.892
  194    HD2  PHE 547           2HD      PHE 547   0.488   2.661  -1.028
  195    HE1  PHE 547           1HE      PHE 547  -2.415  -1.280  -1.525
  196    HE2  PHE 547           2HE      PHE 547  -1.937   2.867  -0.656
  197    HZ   PHE 547           HZ       PHE 547  -3.391   0.894  -0.904
  198    H    ILE 548           H        ILE 548   2.655  -1.783   1.029
  199    HA   ILE 548           HA       ILE 548   5.137  -2.906   0.094
  200    HB   ILE 548           HB       ILE 548   3.091  -3.891   2.077
  201   1HG1  ILE 548          2HG1      ILE 548   5.664  -3.454   3.193
  202   2HG1  ILE 548          1HG1      ILE 548   5.269  -2.047   2.207
  203   1HG2  ILE 548          1HG2      ILE 548   3.966  -5.928   1.697
  204   2HG2  ILE 548          2HG2      ILE 548   5.349  -5.323   2.609
  205   3HG2  ILE 548          3HG2      ILE 548   5.365  -5.272   0.846
  206   1HD1  ILE 548          1HD1      ILE 548   4.581  -1.758   4.524
  207   2HD1  ILE 548          2HD1      ILE 548   3.553  -3.186   4.402
  208   3HD1  ILE 548          3HD1      ILE 548   3.195  -1.755   3.435
  209    H    ASP 549           H        ASP 549   5.403  -4.577  -1.288
  210    HA   ASP 549           HA       ASP 549   2.974  -5.672  -2.540
  211   1HB   ASP 549          2HB       ASP 549   4.321  -4.420  -4.118
  212   2HB   ASP 549          1HB       ASP 549   5.762  -5.325  -3.664
  213    H    HIS 550           H        HIS 550   2.512  -7.629  -1.783
  214    HA   HIS 550           HA       HIS 550   4.500  -9.339  -0.624
  215   1HB   HIS 550          2HB       HIS 550   1.598  -9.888  -1.279
  216   2HB   HIS 550          1HB       HIS 550   2.634 -10.914  -0.293
  217    HD2  HIS 550           2HD      HIS 550   1.994  -7.024   0.012
  218    HE1  HIS 550           1HE      HIS 550   1.219  -8.945   3.703
  219    HE2  HIS 550           2HE      HIS 550   1.492  -6.710   2.537
  220    H    ALA 551           H        ALA 551   2.947  -9.057  -3.731
  221    HA   ALA 551           HA       ALA 551   3.306 -11.585  -4.794
  222   1HB   ALA 551          1HB       ALA 551   2.781 -10.660  -6.790
  223   2HB   ALA 551          2HB       ALA 551   3.915  -9.324  -6.594
  224   3HB   ALA 551          3HB       ALA 551   2.354  -9.283  -5.774
  225    H    SER 552           H        SER 552   5.578  -8.845  -5.006
  226    HA   SER 552           HA       SER 552   7.713 -10.759  -5.656
  227   1HB   SER 552          2HB       SER 552   7.013  -8.350  -6.861
  228   2HB   SER 552          1HB       SER 552   8.437  -7.953  -5.899
  229    HG   SER 552           HG       SER 552   8.173  -9.699  -8.066
  230    H    ARG 553           H        ARG 553   6.538  -8.795  -3.139
  231    HA   ARG 553           HA       ARG 553   7.297  -8.504  -1.007
  232   1HB   ARG 553          2HB       ARG 553   9.907  -9.803  -1.756
  233   2HB   ARG 553          1HB       ARG 553   9.155  -9.700  -0.174
  234   1HG   ARG 553          2HG       ARG 553   7.336 -11.062  -1.816
  235   2HG   ARG 553          1HG       ARG 553   8.930 -11.739  -2.162
  236   1HD   ARG 553          2HD       ARG 553   8.393 -11.297   0.683
  237   2HD   ARG 553          1HD       ARG 553   7.328 -12.470  -0.084
  238    HE   ARG 553           HE       ARG 553  10.147 -12.760   0.440
  239   1HH1  ARG 553          1HH1      ARG 553   7.426 -13.876  -1.430
  240   2HH1  ARG 553          2HH1      ARG 553   8.130 -15.421  -1.771
  241   1HH2  ARG 553          1HH2      ARG 553  11.081 -14.793  -0.002
  242   2HH2  ARG 553          2HH2      ARG 553  10.208 -15.942  -0.959
  243    H    ARG 554           H        ARG 554   7.294  -6.318  -2.220
  244    HA   ARG 554           HA       ARG 554   9.841  -5.030  -1.609
  245   1HB   ARG 554          2HB       ARG 554   8.431  -4.808  -4.273
  246   2HB   ARG 554          1HB       ARG 554   9.693  -3.706  -3.742
  247   1HG   ARG 554          2HG       ARG 554  11.346  -5.324  -3.887
  248   2HG   ARG 554          1HG       ARG 554  10.189  -6.653  -3.809
  249   1HD   ARG 554          2HD       ARG 554  10.430  -6.754  -6.032
  250   2HD   ARG 554          1HD       ARG 554   9.397  -5.327  -6.067
  251    HE   ARG 554           HE       ARG 554  11.896  -4.311  -5.755
  252   1HH1  ARG 554          1HH1      ARG 554  10.430  -6.495  -8.036
  253   2HH1  ARG 554          2HH1      ARG 554  11.470  -6.035  -9.342
  254   1HH2  ARG 554          1HH2      ARG 554  13.273  -3.699  -7.467
  255   2HH2  ARG 554          2HH2      ARG 554  13.087  -4.446  -9.018
  256    H    THR 555           H        THR 555   9.388  -2.491  -2.258
  257    HA   THR 555           HA       THR 555   6.751  -1.776  -1.181
  258    HB   THR 555           HB       THR 555   7.732  -0.086   0.280
  259    HG1  THR 555           1HG      THR 555  10.289  -1.191  -0.252
  260   1HG2  THR 555          1HG2      THR 555   7.709  -2.800   0.733
  261   2HG2  THR 555          2HG2      THR 555   7.963  -1.557   1.959
  262   3HG2  THR 555          3HG2      THR 555   9.347  -2.339   1.195
  263    H    THR 556           H        THR 556   6.205   0.525  -1.527
  264    HA   THR 556           HA       THR 556   7.734   2.030  -3.445
  265    HB   THR 556           HB       THR 556   6.693   0.557  -5.031
  266    HG1  THR 556           1HG      THR 556   5.803   2.119  -6.283
  267   1HG2  THR 556          1HG2      THR 556   3.928   1.325  -4.259
  268   2HG2  THR 556          2HG2      THR 556   4.749   0.119  -3.267
  269   3HG2  THR 556          3HG2      THR 556   4.526  -0.163  -4.993
  270    H    TRP 557           H        TRP 557   6.768   4.119  -3.920
  271    HA   TRP 557           HA       TRP 557   5.291   5.112  -1.627
  272   1HB   TRP 557          2HB       TRP 557   6.721   6.465  -3.906
  273   2HB   TRP 557          1HB       TRP 557   5.760   7.360  -2.733
  274    HD1  TRP 557           HD       TRP 557   9.177   6.890  -3.315
  275    HE1  TRP 557           1HE      TRP 557  10.590   6.813  -1.166
  276    HE3  TRP 557           3HE      TRP 557   5.452   6.016   0.058
  277    HZ2  TRP 557           2HZ      TRP 557  10.174   6.433   1.603
  278    HZ3  TRP 557           3HZ      TRP 557   6.038   5.806   2.437
  279    HH2  TRP 557           HH       TRP 557   8.350   6.012   3.195
  280    H    ILE 558           H        ILE 558   4.539   4.035  -4.738
  281    HA   ILE 558           HA       ILE 558   2.107   5.686  -4.816
  282    HB   ILE 558           HB       ILE 558   3.177   4.064  -7.113
  283   1HG1  ILE 558          2HG1      ILE 558   3.675   6.873  -7.423
  284   2HG1  ILE 558          1HG1      ILE 558   4.416   6.324  -5.920
  285   1HG2  ILE 558          1HG2      ILE 558   1.743   6.547  -7.635
  286   2HG2  ILE 558          2HG2      ILE 558   0.786   5.360  -6.749
  287   3HG2  ILE 558          3HG2      ILE 558   1.499   4.933  -8.305
  288   1HD1  ILE 558          1HD1      ILE 558   5.634   4.610  -7.129
  289   2HD1  ILE 558          2HD1      ILE 558   5.957   6.206  -7.808
  290   3HD1  ILE 558          3HD1      ILE 558   4.858   5.101  -8.635
  291    H    ASP 559           H        ASP 559   0.189   4.766  -4.522
  292    HA   ASP 559           HA       ASP 559  -0.014   2.031  -3.776
  293   1HB   ASP 559          2HB       ASP 559  -2.369   3.770  -4.460
  294   2HB   ASP 559          1HB       ASP 559  -2.262   2.486  -3.259
  295    HA   PRO 560           HA       PRO 560  -0.921   0.384  -7.796
  296   1HB   PRO 560          2HB       PRO 560  -1.835  -2.083  -6.903
  297   2HB   PRO 560          1HB       PRO 560  -0.152  -1.658  -7.205
  298   1HG   PRO 560          2HG       PRO 560  -1.436  -2.189  -4.689
  299   2HG   PRO 560          1HG       PRO 560   0.262  -1.830  -5.008
  300   1HD   PRO 560          2HD       PRO 560  -1.813  -0.085  -3.949
  301   2HD   PRO 560          1HD       PRO 560  -0.057   0.143  -3.979
  302    H    ARG 561           H        ARG 561  -3.295   0.175  -5.209
  303    HA   ARG 561           HA       ARG 561  -5.518  -0.633  -6.691
  304   1HB   ARG 561          2HB       ARG 561  -6.854   0.405  -4.884
  305   2HB   ARG 561          1HB       ARG 561  -5.550  -0.602  -4.271
  306   1HG   ARG 561          2HG       ARG 561  -4.430   1.149  -3.372
  307   2HG   ARG 561          1HG       ARG 561  -4.972   2.277  -4.617
  308   1HD   ARG 561          2HD       ARG 561  -6.531   3.036  -3.234
  309   2HD   ARG 561          1HD       ARG 561  -7.259   1.431  -3.190
  310    HE   ARG 561           HE       ARG 561  -5.290   1.181  -1.399
  311   1HH1  ARG 561          1HH1      ARG 561  -7.713   3.650  -1.829
  312   2HH1  ARG 561          2HH1      ARG 561  -7.780   4.055  -0.147
  313   1HH2  ARG 561          1HH2      ARG 561  -5.378   1.705   0.811
  314   2HH2  ARG 561          2HH2      ARG 561  -6.452   2.950   1.354
  315    H    ASN 562           H        ASN 562  -3.847   2.381  -6.621
  316    HA   ASN 562           HA       ASN 562  -5.928   3.553  -8.345
  317   1HB   ASN 562          2HB       ASN 562  -4.151   5.319  -6.708
  318   2HB   ASN 562          1HB       ASN 562  -5.767   5.633  -7.332
  319   1HD2  ASN 562          1HD2      ASN 562  -4.068   5.133  -4.610
  320   2HD2  ASN 562          2HD2      ASN 562  -5.308   4.507  -3.583
  321    H    GLY 563           H        GLY 563  -2.571   4.270  -7.371
  322   1HA   GLY 563          2HA       GLY 563  -0.786   3.821  -9.021
  323   2HA   GLY 563          1HA       GLY 563  -1.894   4.425 -10.245
  324    H    ARG 564           H        ARG 564  -1.382   5.830  -7.058
  325    HA   ARG 564           HA       ARG 564   0.132   8.036  -8.241
  326   1HB   ARG 564          2HB       ARG 564  -2.447   8.330  -6.701
  327   2HB   ARG 564          1HB       ARG 564  -1.332   9.659  -6.982
  328   1HG   ARG 564          2HG       ARG 564  -1.998   9.931  -9.104
  329   2HG   ARG 564          1HG       ARG 564  -2.105   8.194  -9.397
  330   1HD   ARG 564          2HD       ARG 564  -4.319   8.712  -9.504
  331   2HD   ARG 564          1HD       ARG 564  -4.184   8.426  -7.770
  332    HE   ARG 564           HE       ARG 564  -3.666  11.137  -8.314
  333   1HH1  ARG 564          1HH1      ARG 564  -6.285   8.843  -8.286
  334   2HH1  ARG 564          2HH1      ARG 564  -7.498  10.033  -7.949
  335   1HH2  ARG 564          1HH2      ARG 564  -5.253  12.714  -7.871
  336   2HH2  ARG 564          2HH2      ARG 564  -6.911  12.235  -7.713
  337    H    ALA 565           H        ALA 565   1.246   9.351  -6.679
  338    HA   ALA 565           HA       ALA 565   2.564   7.934  -4.704
  339   1HB   ALA 565          1HB       ALA 565   3.371  10.041  -5.696
  340   2HB   ALA 565          2HB       ALA 565   3.437  10.054  -3.934
  341   3HB   ALA 565          3HB       ALA 565   2.152  10.919  -4.775
  342    H    SER 566           H        SER 566   2.187   7.445  -2.630
  343    HA   SER 566           HA       SER 566  -0.310   7.411  -1.504
  344   1HB   SER 566          2HB       SER 566   2.249   7.648   0.091
  345   2HB   SER 566          1HB       SER 566   0.745   6.876   0.594
  346    HG   SER 566           HG       SER 566   1.078   5.330  -1.057
  347   1H    THR 227          1HT       THR 227  17.169   7.531  -1.600
  348   2H    THR 227          2HT       THR 227  16.785   6.891  -0.083
  349   3H    THR 227          3HT       THR 227  17.278   8.503  -0.219
  350    HA   THR 227           HA       THR 227  15.314   9.183  -1.211
  351    HB   THR 227           HB       THR 227  13.632   7.021  -1.533
  352    HG1  THR 227           1HG      THR 227  14.761   5.335  -2.182
  353   1HG2  THR 227          1HG2      THR 227  14.113   9.044  -3.017
  354   2HG2  THR 227          2HG2      THR 227  13.709   7.533  -3.832
  355   3HG2  THR 227          3HG2      THR 227  15.388   8.065  -3.742
  356    H    GLY 228           H        GLY 228  14.815   6.102   0.531
  357   1HA   GLY 228          2HA       GLY 228  14.421   6.546   3.032
  358   2HA   GLY 228          1HA       GLY 228  13.126   7.576   2.442
  359    H    LEU 229           H        LEU 229  12.659   5.606   0.205
  360    HA   LEU 229           HA       LEU 229  10.543   4.197   1.349
  361   1HB   LEU 229          2HB       LEU 229  10.527   4.603  -0.990
  362   2HB   LEU 229          1HB       LEU 229  12.066   3.795  -1.212
  363    HG   LEU 229           HG       LEU 229  10.998   1.639  -0.643
  364   1HD1  LEU 229          1HD1      LEU 229   8.280   2.271  -1.027
  365   2HD1  LEU 229          2HD1      LEU 229   8.889   3.357   0.223
  366   3HD1  LEU 229          3HD1      LEU 229   9.052   1.612   0.414
  367   1HD2  LEU 229          1HD2      LEU 229   9.599   3.122  -2.866
  368   2HD2  LEU 229          2HD2      LEU 229   9.793   1.375  -2.724
  369   3HD2  LEU 229          3HD2      LEU 229  11.205   2.401  -2.980
  370    HA   PRO 230           HA       PRO 230  13.100   1.111   3.477
  371   1HB   PRO 230          2HB       PRO 230  10.412   0.079   4.186
  372   2HB   PRO 230          1HB       PRO 230  11.774   0.486   5.235
  373   1HG   PRO 230          2HG       PRO 230   9.625   2.059   5.120
  374   2HG   PRO 230          1HG       PRO 230  11.254   2.747   5.256
  375   1HD   PRO 230          2HD       PRO 230   9.488   2.515   2.847
  376   2HD   PRO 230          1HD       PRO 230  10.530   3.861   3.356
  377    H    SER 231           H        SER 231  11.895  -1.457   3.815
  378    HA   SER 231           HA       SER 231  11.316  -2.390   1.113
  379   1HB   SER 231          2HB       SER 231  13.566  -3.612   2.723
  380   2HB   SER 231          1HB       SER 231  13.082  -4.025   1.079
  381    HG   SER 231           HG       SER 231  14.481  -2.576   0.504
  382    H    TYR 232           H        TYR 232  10.654  -4.674   1.070
  383    HA   TYR 232           HA       TYR 232   8.736  -5.218   3.059
  384   1HB   TYR 232          2HB       TYR 232   8.833  -6.005   0.600
  385   2HB   TYR 232          1HB       TYR 232   9.843  -7.315   1.206
  386    HD1  TYR 232           1HD      TYR 232   6.678  -6.668   0.190
  387    HD2  TYR 232           2HD      TYR 232   8.691  -8.292   3.568
  388    HE1  TYR 232           1HE      TYR 232   4.654  -7.932   0.782
  389    HE2  TYR 232           2HE      TYR 232   6.672  -9.560   4.169
  390    HH   TYR 232           HH       TYR 232   4.340 -10.307   2.288
  391    H    ASP 233           H        ASP 233  10.144  -5.036   4.957
  392    HA   ASP 233           HA       ASP 233  10.642  -7.473   6.175
  393   1HB   ASP 233          2HB       ASP 233  12.699  -6.859   4.371
  394   2HB   ASP 233          1HB       ASP 233  13.352  -6.481   5.963
  395    H    GLU 234           H        GLU 234  11.699  -4.116   5.910
  396    HA   GLU 234           HA       GLU 234  11.928  -3.949   8.827
  397   1HB   GLU 234          2HB       GLU 234  12.578  -1.712   6.932
  398   2HB   GLU 234          1HB       GLU 234  13.214  -2.011   8.543
  399   1HG   GLU 234          2HG       GLU 234  14.006  -4.240   7.156
  400   2HG   GLU 234          1HG       GLU 234  14.149  -2.954   5.958
  401    H    ALA 235           H        ALA 235   9.354  -4.273   7.849
  402    HA   ALA 235           HA       ALA 235   8.013  -2.100   9.050
  403   1HB   ALA 235          1HB       ALA 235   7.384  -0.760   7.369
  404   2HB   ALA 235          2HB       ALA 235   7.109  -2.109   6.267
  405   3HB   ALA 235          3HB       ALA 235   8.738  -1.475   6.496
  406    H    LEU 236           H        LEU 236   8.044  -4.944   9.211
  407    HA   LEU 236           HA       LEU 236   5.203  -5.464   8.706
  408   1HB   LEU 236          2HB       LEU 236   6.761  -6.519   6.964
  409   2HB   LEU 236          1HB       LEU 236   7.290  -7.581   8.255
  410    HG   LEU 236           HG       LEU 236   4.375  -7.461   7.925
  411   1HD1  LEU 236          1HD1      LEU 236   6.150  -8.079   5.648
  412   2HD1  LEU 236          2HD1      LEU 236   4.485  -7.496   5.668
  413   3HD1  LEU 236          3HD1      LEU 236   4.826  -9.203   5.950
  414   1HD2  LEU 236          1HD2      LEU 236   6.463  -9.299   8.754
  415   2HD2  LEU 236          2HD2      LEU 236   5.269 -10.065   7.705
  416   3HD2  LEU 236          3HD2      LEU 236   4.753  -9.258   9.186
  417    H    HIS 237           H        HIS 237   4.875  -5.071  10.928
  418    HA   HIS 237           HA       HIS 237   5.934  -7.174  12.699
  419   1HB   HIS 237          2HB       HIS 237   5.001  -4.453  13.608
  420   2HB   HIS 237          1HB       HIS 237   5.914  -5.646  14.527
  421    HD1  HIS 237           1HD      HIS 237   6.465  -2.535  13.104
  422    HD2  HIS 237           2HD      HIS 237   8.515  -6.141  12.849
  423    HE1  HIS 237           1HE      HIS 237   8.799  -1.932  12.388
  424    HE2  HIS 237           2HE      HIS 237  10.002  -4.136  12.172
  Start of MODEL    7
    1   1H    GLY 521          1HT       GLY 521 -28.210   0.163   4.862
    2   2H    GLY 521          2HT       GLY 521 -27.648   1.738   4.614
    3   3H    GLY 521          3HT       GLY 521 -26.563   0.441   4.590
    4   1HA   GLY 521          1HA       GLY 521 -28.552  -0.106   2.710
    5   2HA   GLY 521          2HA       GLY 521 -28.016   1.548   2.458
    6    HA   PRO 522           HA       PRO 522 -24.528  -0.014   0.264
    7   1HB   PRO 522          2HB       PRO 522 -22.666   1.887   0.693
    8   2HB   PRO 522          1HB       PRO 522 -24.101   2.183  -0.296
    9   1HG   PRO 522          2HG       PRO 522 -23.580   2.929   2.556
   10   2HG   PRO 522          1HG       PRO 522 -24.322   3.893   1.266
   11   1HD   PRO 522          2HD       PRO 522 -25.766   2.593   3.173
   12   2HD   PRO 522          1HD       PRO 522 -26.376   2.899   1.535
   13    H    LEU 523           H        LEU 523 -22.097  -0.437   0.505
   14    HA   LEU 523           HA       LEU 523 -21.704  -2.056   2.815
   15   1HB   LEU 523          2HB       LEU 523 -19.517  -2.546   1.862
   16   2HB   LEU 523          1HB       LEU 523 -20.776  -2.672   0.648
   17    HG   LEU 523           HG       LEU 523 -19.673  -0.015   0.632
   18   1HD1  LEU 523          1HD1      LEU 523 -17.421  -0.361   0.192
   19   2HD1  LEU 523          2HD1      LEU 523 -17.632  -2.094  -0.053
   20   3HD1  LEU 523          3HD1      LEU 523 -17.725  -1.415   1.573
   21   1HD2  LEU 523          1HD2      LEU 523 -19.006  -1.035  -1.734
   22   2HD2  LEU 523          2HD2      LEU 523 -20.658  -0.566  -1.337
   23   3HD2  LEU 523          3HD2      LEU 523 -20.173  -2.258  -1.236
   24    H    GLY 524           H        GLY 524 -22.081  -0.158   4.311
   25   1HA   GLY 524          2HA       GLY 524 -21.280   1.362   5.836
   26   2HA   GLY 524          1HA       GLY 524 -19.761   0.494   5.679
   27    H    SER 525           H        SER 525 -19.376   2.991   6.235
   28    HA   SER 525           HA       SER 525 -19.299   4.668   3.884
   29   1HB   SER 525          2HB       SER 525 -18.947   5.020   6.763
   30   2HB   SER 525          1HB       SER 525 -17.768   5.928   5.818
   31    HG   SER 525           HG       SER 525 -19.369   7.300   5.685
   32    H    GLY 526           H        GLY 526 -17.181   2.497   5.544
   33   1HA   GLY 526          2HA       GLY 526 -15.037   1.807   5.104
   34   2HA   GLY 526          1HA       GLY 526 -15.299   2.412   3.475
   35    H    GLU 527           H        GLU 527 -12.819   2.635   4.253
   36    HA   GLU 527           HA       GLU 527 -12.521   5.480   4.947
   37   1HB   GLU 527          2HB       GLU 527 -10.987   3.118   5.999
   38   2HB   GLU 527          1HB       GLU 527 -10.277   4.726   5.982
   39   1HG   GLU 527          2HG       GLU 527 -11.369   5.299   7.817
   40   2HG   GLU 527          1HG       GLU 527 -12.911   4.811   7.120
   41    H    GLU 528           H        GLU 528 -10.094   3.037   4.139
   42    HA   GLU 528           HA       GLU 528  -9.397   4.636   1.767
   43   1HB   GLU 528          2HB       GLU 528  -7.804   3.475   3.898
   44   2HB   GLU 528          1HB       GLU 528  -7.251   2.938   2.317
   45   1HG   GLU 528          2HG       GLU 528  -6.184   4.852   2.051
   46   2HG   GLU 528          1HG       GLU 528  -7.719   5.716   2.139
   47    H    GLU 529           H        GLU 529  -9.124   3.653  -0.199
   48    HA   GLU 529           HA       GLU 529 -10.612   1.418  -0.832
   49   1HB   GLU 529          2HB       GLU 529  -9.962   2.957  -2.549
   50   2HB   GLU 529          1HB       GLU 529  -8.257   2.647  -2.259
   51   1HG   GLU 529          2HG       GLU 529  -8.278   1.049  -3.781
   52   2HG   GLU 529          1HG       GLU 529  -9.503   0.174  -2.864
   53    HA   PRO 530           HA       PRO 530  -8.229  -1.987   0.762
   54   1HB   PRO 530          2HB       PRO 530  -9.514  -3.533  -1.415
   55   2HB   PRO 530          1HB       PRO 530  -9.529  -3.818   0.328
   56   1HG   PRO 530          2HG       PRO 530 -11.689  -2.890  -0.939
   57   2HG   PRO 530          1HG       PRO 530 -11.266  -2.335   0.691
   58   1HD   PRO 530          2HD       PRO 530 -10.900  -0.958  -1.937
   59   2HD   PRO 530          1HD       PRO 530 -11.366  -0.284  -0.362
   60    H    LEU 531           H        LEU 531  -6.298  -2.895   0.308
   61    HA   LEU 531           HA       LEU 531  -4.915  -2.148  -2.081
   62   1HB   LEU 531          2HB       LEU 531  -3.911  -4.263  -0.223
   63   2HB   LEU 531          1HB       LEU 531  -3.015  -3.025  -1.082
   64    HG   LEU 531           HG       LEU 531  -4.766  -1.712   0.732
   65   1HD1  LEU 531          1HD1      LEU 531  -3.316  -2.826   2.742
   66   2HD1  LEU 531          2HD1      LEU 531  -3.670  -4.234   1.740
   67   3HD1  LEU 531          3HD1      LEU 531  -4.988  -3.238   2.357
   68   1HD2  LEU 531          1HD2      LEU 531  -1.869  -1.958   0.200
   69   2HD2  LEU 531          2HD2      LEU 531  -2.336  -1.346   1.787
   70   3HD2  LEU 531          3HD2      LEU 531  -2.884  -0.522   0.328
   71    HA   PRO 532           HA       PRO 532  -5.863  -5.382  -4.896
   72   1HB   PRO 532          2HB       PRO 532  -2.905  -5.580  -5.260
   73   2HB   PRO 532          1HB       PRO 532  -4.180  -5.434  -6.473
   74   1HG   PRO 532          2HG       PRO 532  -2.703  -3.337  -5.853
   75   2HG   PRO 532          1HG       PRO 532  -4.446  -3.158  -6.114
   76   1HD   PRO 532          2HD       PRO 532  -2.908  -3.178  -3.554
   77   2HD   PRO 532          1HD       PRO 532  -4.342  -2.232  -4.003
   78    HA   PRO 533           HA       PRO 533  -5.429  -9.561  -3.601
   79   1HB   PRO 533          2HB       PRO 533  -3.145  -9.932  -5.479
   80   2HB   PRO 533          1HB       PRO 533  -4.514 -10.997  -5.152
   81   1HG   PRO 533          2HG       PRO 533  -4.511  -9.447  -7.308
   82   2HG   PRO 533          1HG       PRO 533  -5.998  -9.681  -6.369
   83   1HD   PRO 533          2HD       PRO 533  -4.221  -7.317  -6.537
   84   2HD   PRO 533          1HD       PRO 533  -5.960  -7.396  -6.197
   85    H    ARG 534           H        ARG 534  -2.182  -8.360  -4.208
   86    HA   ARG 534           HA       ARG 534  -1.418  -9.351  -1.542
   87   1HB   ARG 534          2HB       ARG 534   0.063  -9.654  -4.148
   88   2HB   ARG 534          1HB       ARG 534   0.872  -9.797  -2.595
   89   1HG   ARG 534          2HG       ARG 534  -1.548 -11.445  -3.195
   90   2HG   ARG 534          1HG       ARG 534   0.042 -11.926  -3.791
   91   1HD   ARG 534          2HD       ARG 534  -0.427 -11.260  -0.902
   92   2HD   ARG 534          1HD       ARG 534  -0.733 -12.875  -1.541
   93    HE   ARG 534           HE       ARG 534   1.875 -11.918  -2.209
   94   1HH1  ARG 534          1HH1      ARG 534  -0.028 -13.385   0.312
   95   2HH1  ARG 534          2HH1      ARG 534   1.329 -14.147   1.072
   96   1HH2  ARG 534          1HH2      ARG 534   3.670 -12.917  -1.217
   97   2HH2  ARG 534          2HH2      ARG 534   3.432 -13.881   0.202
   98    H    TRP 535           H        TRP 535  -2.017  -7.007  -1.174
   99    HA   TRP 535           HA       TRP 535   0.467  -5.496  -1.249
  100   1HB   TRP 535          2HB       TRP 535  -2.060  -4.640  -2.601
  101   2HB   TRP 535          1HB       TRP 535  -0.919  -3.442  -1.994
  102    HD1  TRP 535           HD       TRP 535  -1.224  -6.212  -4.623
  103    HE1  TRP 535           1HE      TRP 535   0.613  -5.863  -6.393
  104    HE3  TRP 535           3HE      TRP 535   1.353  -2.440  -2.356
  105    HZ2  TRP 535           2HZ      TRP 535   2.871  -4.196  -6.765
  106    HZ3  TRP 535           3HZ      TRP 535   3.343  -1.522  -3.476
  107    HH2  TRP 535           HH       TRP 535   4.085  -2.384  -5.637
  108    H    SER 536           H        SER 536   0.570  -3.708   0.131
  109    HA   SER 536           HA       SER 536  -1.548  -3.227   2.040
  110   1HB   SER 536          2HB       SER 536   1.030  -4.592   2.760
  111   2HB   SER 536          1HB       SER 536   0.227  -3.547   3.930
  112    HG   SER 536           HG       SER 536  -0.921  -5.250   4.351
  113    H    MET 537           H        MET 537  -0.292  -1.678   3.861
  114    HA   MET 537           HA       MET 537   1.647   0.038   2.625
  115   1HB   MET 537          2HB       MET 537   0.000   2.064   3.040
  116   2HB   MET 537          1HB       MET 537   0.035   1.202   1.511
  117   1HG   MET 537          2HG       MET 537  -2.094   0.684   1.711
  118   2HG   MET 537          1HG       MET 537  -1.802  -0.094   3.265
  119   1HE   MET 537          1HE       MET 537  -3.998   3.541   2.232
  120   2HE   MET 537          2HE       MET 537  -2.863   2.646   1.221
  121   3HE   MET 537          3HE       MET 537  -2.313   4.050   2.136
  122    H    GLN 538           H        GLN 538   2.887   0.943   4.097
  123    HA   GLN 538           HA       GLN 538   1.840   1.359   6.808
  124   1HB   GLN 538          2HB       GLN 538   3.750  -0.607   6.044
  125   2HB   GLN 538          1HB       GLN 538   4.601   0.629   6.959
  126   1HG   GLN 538          2HG       GLN 538   3.032   0.366   8.800
  127   2HG   GLN 538          1HG       GLN 538   2.147  -0.850   7.881
  128   1HE2  GLN 538          1HE2      GLN 538   5.003  -0.151   9.708
  129   2HE2  GLN 538          2HE2      GLN 538   5.571  -1.777   9.838
  130    H    VAL 539           H        VAL 539   2.720   3.114   7.911
  131    HA   VAL 539           HA       VAL 539   3.813   5.177   6.248
  132    HB   VAL 539           HB       VAL 539   2.215   5.647   8.092
  133   1HG1  VAL 539          1HG1      VAL 539   2.670   5.325  10.307
  134   2HG1  VAL 539          2HG1      VAL 539   4.414   5.454  10.084
  135   3HG1  VAL 539          3HG1      VAL 539   3.572   3.975   9.620
  136   1HG2  VAL 539          1HG2      VAL 539   4.792   7.080   8.648
  137   2HG2  VAL 539          2HG2      VAL 539   3.146   7.715   8.662
  138   3HG2  VAL 539          3HG2      VAL 539   3.920   7.303   7.132
  139    H    ALA 540           H        ALA 540   5.874   5.751   5.978
  140    HA   ALA 540           HA       ALA 540   7.916   4.274   7.464
  141   1HB   ALA 540          1HB       ALA 540   9.223   5.742   5.527
  142   2HB   ALA 540          2HB       ALA 540   7.690   5.317   4.763
  143   3HB   ALA 540          3HB       ALA 540   8.736   4.052   5.405
  144    HA   PRO 541           HA       PRO 541   9.448   7.816   9.605
  145   1HB   PRO 541          2HB       PRO 541  12.126   7.589   9.459
  146   2HB   PRO 541          1HB       PRO 541  11.140   6.436  10.366
  147   1HG   PRO 541          2HG       PRO 541  12.333   6.173   7.635
  148   2HG   PRO 541          1HG       PRO 541  12.242   4.974   8.937
  149   1HD   PRO 541          2HD       PRO 541  10.528   5.038   6.801
  150   2HD   PRO 541          1HD       PRO 541  10.105   4.360   8.385
  151    H    ASN 542           H        ASN 542  10.445   7.398   6.302
  152    HA   ASN 542           HA       ASN 542  11.897   9.695   5.809
  153   1HB   ASN 542          2HB       ASN 542  11.578   7.929   4.140
  154   2HB   ASN 542          1HB       ASN 542   9.877   8.361   3.994
  155   1HD2  ASN 542          1HD2      ASN 542  10.191   8.724   1.773
  156   2HD2  ASN 542          2HD2      ASN 542  10.949  10.167   1.199
  157    H    GLY 543           H        GLY 543   8.357   9.277   5.679
  158   1HA   GLY 543          2HA       GLY 543   7.430  11.462   6.839
  159   2HA   GLY 543          1HA       GLY 543   8.045  12.165   5.353
  160    H    ARG 544           H        ARG 544   7.218   9.412   4.106
  161    HA   ARG 544           HA       ARG 544   4.337   9.976   3.968
  162   1HB   ARG 544          2HB       ARG 544   4.292   9.859   1.609
  163   2HB   ARG 544          1HB       ARG 544   5.627  10.929   2.007
  164   1HG   ARG 544          2HG       ARG 544   6.031   8.012   1.436
  165   2HG   ARG 544          1HG       ARG 544   6.014   9.234   0.166
  166   1HD   ARG 544          2HD       ARG 544   7.723  10.304   2.039
  167   2HD   ARG 544          1HD       ARG 544   8.087   8.580   2.107
  168    HE   ARG 544           HE       ARG 544   9.167   8.831   0.123
  169   1HH1  ARG 544          1HH1      ARG 544   6.729  11.306   0.353
  170   2HH1  ARG 544          2HH1      ARG 544   7.157  12.050  -1.151
  171   1HH2  ARG 544          1HH2      ARG 544   9.742   9.804  -1.859
  172   2HH2  ARG 544          2HH2      ARG 544   8.869  11.196  -2.409
  173    H    THR 545           H        THR 545   2.994   8.228   3.383
  174    HA   THR 545           HA       THR 545   3.923   5.699   4.374
  175    HB   THR 545           HB       THR 545   1.525   5.032   3.458
  176    HG1  THR 545           1HG      THR 545   0.232   7.080   3.800
  177   1HG2  THR 545          1HG2      THR 545   2.245   6.610   5.907
  178   2HG2  THR 545          2HG2      THR 545   1.892   4.889   5.760
  179   3HG2  THR 545          3HG2      THR 545   0.589   6.070   5.631
  180    H    PHE 546           H        PHE 546   4.088   3.761   3.249
  181    HA   PHE 546           HA       PHE 546   4.195   4.028   0.323
  182   1HB   PHE 546          2HB       PHE 546   6.000   2.264   0.448
  183   2HB   PHE 546          1HB       PHE 546   6.438   3.849   1.078
  184    HD1  PHE 546           1HD      PHE 546   6.248   4.197   3.612
  185    HD2  PHE 546           2HD      PHE 546   6.263   0.367   1.752
  186    HE1  PHE 546           1HE      PHE 546   6.896   3.159   5.750
  187    HE2  PHE 546           2HE      PHE 546   6.912  -0.673   3.885
  188    HZ   PHE 546           HZ       PHE 546   7.230   0.724   5.887
  189    H    PHE 547           H        PHE 547   4.074   1.857  -0.806
  190    HA   PHE 547           HA       PHE 547   1.986   0.238   0.493
  191   1HB   PHE 547          2HB       PHE 547   2.405   1.165  -2.277
  192   2HB   PHE 547          1HB       PHE 547   1.836  -0.493  -2.115
  193    HD1  PHE 547           1HD      PHE 547  -0.429  -0.722  -2.337
  194    HD2  PHE 547           2HD      PHE 547   1.103   2.787  -0.480
  195    HE1  PHE 547           1HE      PHE 547  -2.724   0.104  -2.011
  196    HE2  PHE 547           2HE      PHE 547  -1.188   3.619  -0.150
  197    HZ   PHE 547           HZ       PHE 547  -3.106   2.277  -0.916
  198    H    ILE 548           H        ILE 548   2.400  -1.778   1.017
  199    HA   ILE 548           HA       ILE 548   4.961  -2.944   0.324
  200    HB   ILE 548           HB       ILE 548   2.742  -3.926   2.125
  201   1HG1  ILE 548          2HG1      ILE 548   5.058  -3.465   3.599
  202   2HG1  ILE 548          1HG1      ILE 548   4.993  -2.116   2.467
  203   1HG2  ILE 548          1HG2      ILE 548   4.547  -5.499   2.965
  204   2HG2  ILE 548          2HG2      ILE 548   5.429  -5.112   1.487
  205   3HG2  ILE 548          3HG2      ILE 548   3.841  -5.876   1.393
  206   1HD1  ILE 548          1HD1      ILE 548   3.759  -2.155   4.858
  207   2HD1  ILE 548          2HD1      ILE 548   2.463  -2.749   3.818
  208   3HD1  ILE 548          3HD1      ILE 548   3.219  -1.193   3.483
  209    H    ASP 549           H        ASP 549   5.294  -4.599  -1.036
  210    HA   ASP 549           HA       ASP 549   2.943  -5.762  -2.379
  211   1HB   ASP 549          2HB       ASP 549   4.514  -4.297  -3.755
  212   2HB   ASP 549          1HB       ASP 549   5.712  -5.572  -3.563
  213    H    HIS 550           H        HIS 550   2.598  -7.709  -1.495
  214    HA   HIS 550           HA       HIS 550   4.719  -9.322  -0.441
  215   1HB   HIS 550          2HB       HIS 550   1.820 -10.034  -0.926
  216   2HB   HIS 550          1HB       HIS 550   2.959 -10.952   0.052
  217    HD2  HIS 550           2HD      HIS 550   1.773  -7.172   0.178
  218    HE1  HIS 550           1HE      HIS 550   1.842  -8.845   4.065
  219    HE2  HIS 550           2HE      HIS 550   1.539  -6.717   2.720
  220    H    ALA 551           H        ALA 551   2.712  -9.378  -3.345
  221    HA   ALA 551           HA       ALA 551   3.406 -11.872  -4.350
  222   1HB   ALA 551          1HB       ALA 551   3.217  -9.931  -6.472
  223   2HB   ALA 551          2HB       ALA 551   1.969  -9.661  -5.256
  224   3HB   ALA 551          3HB       ALA 551   2.111 -11.235  -6.041
  225    H    SER 552           H        SER 552   5.237  -8.917  -4.246
  226    HA   SER 552           HA       SER 552   7.409 -10.244  -5.731
  227   1HB   SER 552          2HB       SER 552   6.175  -7.878  -6.404
  228   2HB   SER 552          1HB       SER 552   7.601  -7.329  -5.522
  229    HG   SER 552           HG       SER 552   8.585  -7.681  -7.344
  230    H    ARG 553           H        ARG 553   6.452  -9.025  -2.722
  231    HA   ARG 553           HA       ARG 553   7.529  -8.794  -0.735
  232   1HB   ARG 553          2HB       ARG 553   9.827 -10.081  -2.220
  233   2HB   ARG 553          1HB       ARG 553   9.773  -9.817  -0.485
  234   1HG   ARG 553          2HG       ARG 553   7.734 -11.461  -1.957
  235   2HG   ARG 553          1HG       ARG 553   9.208 -12.137  -1.261
  236   1HD   ARG 553          2HD       ARG 553   8.486 -11.114   0.935
  237   2HD   ARG 553          1HD       ARG 553   6.931 -10.786   0.170
  238    HE   ARG 553           HE       ARG 553   6.418 -13.024   0.302
  239   1HH1  ARG 553          1HH1      ARG 553   9.793 -12.551   1.024
  240   2HH1  ARG 553          2HH1      ARG 553  10.034 -14.173   1.582
  241   1HH2  ARG 553          1HH2      ARG 553   6.725 -15.162   1.034
  242   2HH2  ARG 553          2HH2      ARG 553   8.289 -15.658   1.587
  243    H    ARG 554           H        ARG 554   7.466  -6.620  -2.540
  244    HA   ARG 554           HA       ARG 554   9.807  -5.144  -1.586
  245   1HB   ARG 554          2HB       ARG 554   8.798  -5.040  -4.433
  246   2HB   ARG 554          1HB       ARG 554  10.085  -4.048  -3.763
  247   1HG   ARG 554          2HG       ARG 554  11.599  -5.744  -3.790
  248   2HG   ARG 554          1HG       ARG 554  10.371  -6.992  -3.569
  249   1HD   ARG 554          2HD       ARG 554  10.906  -7.365  -5.756
  250   2HD   ARG 554          1HD       ARG 554   9.616  -6.182  -5.963
  251    HE   ARG 554           HE       ARG 554  12.064  -4.829  -5.762
  252   1HH1  ARG 554          1HH1      ARG 554  10.348  -6.942  -7.932
  253   2HH1  ARG 554          2HH1      ARG 554  11.121  -6.323  -9.354
  254   1HH2  ARG 554          1HH2      ARG 554  13.086  -4.004  -7.626
  255   2HH2  ARG 554          2HH2      ARG 554  12.678  -4.652  -9.180
  256    H    THR 555           H        THR 555   9.492  -2.874  -1.419
  257    HA   THR 555           HA       THR 555   6.656  -2.140  -1.186
  258    HB   THR 555           HB       THR 555   7.356  -0.387   0.344
  259    HG1  THR 555           1HG      THR 555   9.580  -0.192   0.889
  260   1HG2  THR 555          1HG2      THR 555   7.700  -1.742   2.153
  261   2HG2  THR 555          2HG2      THR 555   8.944  -2.694   1.341
  262   3HG2  THR 555          3HG2      THR 555   7.242  -2.967   0.969
  263    H    THR 556           H        THR 556   6.224   0.257  -1.548
  264    HA   THR 556           HA       THR 556   7.919   1.608  -3.446
  265    HB   THR 556           HB       THR 556   6.902   0.241  -5.079
  266    HG1  THR 556           1HG      THR 556   6.433   1.950  -6.222
  267   1HG2  THR 556          1HG2      THR 556   4.725  -0.511  -5.108
  268   2HG2  THR 556          2HG2      THR 556   4.117   0.888  -4.221
  269   3HG2  THR 556          3HG2      THR 556   5.000  -0.380  -3.371
  270    H    TRP 557           H        TRP 557   7.170   3.731  -3.980
  271    HA   TRP 557           HA       TRP 557   5.784   4.971  -1.782
  272   1HB   TRP 557          2HB       TRP 557   7.098   6.038  -4.278
  273   2HB   TRP 557          1HB       TRP 557   6.264   7.079  -3.128
  274    HD1  TRP 557           HD       TRP 557   9.608   6.355  -3.913
  275    HE1  TRP 557           1HE      TRP 557  11.174   6.438  -1.873
  276    HE3  TRP 557           3HE      TRP 557   6.111   6.070  -0.213
  277    HZ2  TRP 557           2HZ      TRP 557  10.951   6.396   0.945
  278    HZ3  TRP 557           3HZ      TRP 557   6.864   6.095   2.135
  279    HH2  TRP 557           HH       TRP 557   9.235   6.254   2.699
  280    H    ILE 558           H        ILE 558   4.965   3.883  -4.943
  281    HA   ILE 558           HA       ILE 558   2.518   5.499  -4.953
  282    HB   ILE 558           HB       ILE 558   3.470   3.758  -7.212
  283   1HG1  ILE 558          2HG1      ILE 558   4.057   6.536  -7.645
  284   2HG1  ILE 558          1HG1      ILE 558   4.835   6.012  -6.153
  285   1HG2  ILE 558          1HG2      ILE 558   2.001   6.314  -7.563
  286   2HG2  ILE 558          2HG2      ILE 558   1.111   4.928  -6.934
  287   3HG2  ILE 558          3HG2      ILE 558   1.920   4.821  -8.499
  288   1HD1  ILE 558          1HD1      ILE 558   5.287   5.101  -8.951
  289   2HD1  ILE 558          2HD1      ILE 558   5.627   4.004  -7.612
  290   3HD1  ILE 558          3HD1      ILE 558   6.452   5.560  -7.710
  291    H    ASP 559           H        ASP 559   0.494   4.596  -5.046
  292    HA   ASP 559           HA       ASP 559   0.299   1.874  -4.071
  293   1HB   ASP 559          2HB       ASP 559  -2.094   2.406  -3.752
  294   2HB   ASP 559          1HB       ASP 559  -1.041   3.581  -2.970
  295    HA   PRO 560           HA       PRO 560  -0.897   0.280  -8.033
  296   1HB   PRO 560          2HB       PRO 560  -1.848  -2.152  -7.132
  297   2HB   PRO 560          1HB       PRO 560  -0.152  -1.771  -7.427
  298   1HG   PRO 560          2HG       PRO 560  -1.478  -2.250  -4.907
  299   2HG   PRO 560          1HG       PRO 560   0.239  -1.994  -5.229
  300   1HD   PRO 560          2HD       PRO 560  -1.718  -0.125  -4.166
  301   2HD   PRO 560          1HD       PRO 560   0.047   0.002  -4.219
  302    H    ARG 561           H        ARG 561  -3.181   0.177  -5.362
  303    HA   ARG 561           HA       ARG 561  -5.488  -0.616  -6.644
  304   1HB   ARG 561          2HB       ARG 561  -6.621   0.942  -4.925
  305   2HB   ARG 561          1HB       ARG 561  -5.650  -0.394  -4.330
  306   1HG   ARG 561          2HG       ARG 561  -3.974   0.979  -3.572
  307   2HG   ARG 561          1HG       ARG 561  -4.376   2.273  -4.702
  308   1HD   ARG 561          2HD       ARG 561  -5.420   3.265  -3.001
  309   2HD   ARG 561          1HD       ARG 561  -6.653   2.017  -3.158
  310    HE   ARG 561           HE       ARG 561  -4.836   0.843  -1.559
  311   1HH1  ARG 561          1HH1      ARG 561  -6.400   3.951  -1.461
  312   2HH1  ARG 561          2HH1      ARG 561  -6.352   4.068   0.266
  313   1HH2  ARG 561          1HH2      ARG 561  -4.768   0.984   0.718
  314   2HH2  ARG 561          2HH2      ARG 561  -5.423   2.380   1.505
  315    H    ASN 562           H        ASN 562  -3.728   2.336  -6.983
  316    HA   ASN 562           HA       ASN 562  -5.732   3.272  -8.909
  317   1HB   ASN 562          2HB       ASN 562  -4.379   5.397  -7.343
  318   2HB   ASN 562          1HB       ASN 562  -6.009   5.350  -8.001
  319   1HD2  ASN 562          1HD2      ASN 562  -4.397   5.586  -5.243
  320   2HD2  ASN 562          2HD2      ASN 562  -5.495   4.822  -4.153
  321    H    GLY 563           H        GLY 563  -2.458   3.703  -7.609
  322   1HA   GLY 563          2HA       GLY 563  -0.534   3.473  -9.027
  323   2HA   GLY 563          1HA       GLY 563  -1.506   4.051 -10.373
  324    H    ARG 564           H        ARG 564  -1.323   5.470  -7.149
  325    HA   ARG 564           HA       ARG 564   0.158   7.750  -8.260
  326   1HB   ARG 564          2HB       ARG 564  -2.528   7.756  -6.964
  327   2HB   ARG 564          1HB       ARG 564  -1.444   9.098  -6.623
  328   1HG   ARG 564          2HG       ARG 564  -1.925  10.048  -8.563
  329   2HG   ARG 564          1HG       ARG 564  -1.495   8.579  -9.442
  330   1HD   ARG 564          2HD       ARG 564  -3.669   7.759  -9.385
  331   2HD   ARG 564          1HD       ARG 564  -4.126   8.791  -8.030
  332    HE   ARG 564           HE       ARG 564  -4.270   9.441 -10.804
  333   1HH1  ARG 564          1HH1      ARG 564  -3.758  10.787  -7.633
  334   2HH1  ARG 564          2HH1      ARG 564  -4.320  12.366  -8.071
  335   1HH2  ARG 564          1HH2      ARG 564  -5.015  11.516 -11.390
  336   2HH2  ARG 564          2HH2      ARG 564  -5.035  12.780 -10.206
  337    H    ALA 565           H        ALA 565   1.340   8.979  -6.726
  338    HA   ALA 565           HA       ALA 565   2.583   7.482  -4.711
  339   1HB   ALA 565          1HB       ALA 565   3.057  10.115  -4.022
  340   2HB   ALA 565          2HB       ALA 565   2.752  10.187  -5.758
  341   3HB   ALA 565          3HB       ALA 565   4.021   9.136  -5.129
  342    H    SER 566           H        SER 566   2.392   7.450  -2.493
  343    HA   SER 566           HA       SER 566  -0.105   7.574  -1.341
  344   1HB   SER 566          2HB       SER 566   2.577   7.116  -0.443
  345   2HB   SER 566          1HB       SER 566   1.758   8.161   0.718
  346    HG   SER 566           HG       SER 566   0.065   6.598   0.773
  347   1H    THR 227          1HT       THR 227  13.319  11.111   0.918
  348   2H    THR 227          2HT       THR 227  15.000  11.004   1.067
  349   3H    THR 227          3HT       THR 227  14.004  10.455   2.319
  350    HA   THR 227           HA       THR 227  13.183   9.108   0.052
  351    HB   THR 227           HB       THR 227  15.607   7.911  -0.119
  352    HG1  THR 227           1HG      THR 227  17.144   9.257   0.407
  353   1HG2  THR 227          1HG2      THR 227  15.882   9.441  -2.219
  354   2HG2  THR 227          2HG2      THR 227  14.290  10.042  -1.754
  355   3HG2  THR 227          3HG2      THR 227  14.516   8.331  -2.116
  356    H    GLY 228           H        GLY 228  13.330   6.772   0.393
  357   1HA   GLY 228          2HA       GLY 228  14.491   5.526   2.590
  358   2HA   GLY 228          1HA       GLY 228  12.914   6.096   3.116
  359    H    LEU 229           H        LEU 229  11.083   5.058   2.440
  360    HA   LEU 229           HA       LEU 229   9.769   3.403   1.601
  361   1HB   LEU 229          2HB       LEU 229  10.654   4.180  -0.574
  362   2HB   LEU 229          1HB       LEU 229  11.978   3.042  -0.423
  363    HG   LEU 229           HG       LEU 229  10.520   1.170  -0.640
  364   1HD1  LEU 229          1HD1      LEU 229   8.551   1.408   0.412
  365   2HD1  LEU 229          2HD1      LEU 229   7.990   1.978  -1.160
  366   3HD1  LEU 229          3HD1      LEU 229   8.463   3.138   0.082
  367   1HD2  LEU 229          1HD2      LEU 229  11.014   2.877  -2.654
  368   2HD2  LEU 229          2HD2      LEU 229   9.251   2.881  -2.681
  369   3HD2  LEU 229          3HD2      LEU 229  10.132   1.364  -2.857
  370    HA   PRO 230           HA       PRO 230  12.387   0.428   4.093
  371   1HB   PRO 230          2HB       PRO 230   9.660  -0.049   5.178
  372   2HB   PRO 230          1HB       PRO 230  11.195   0.137   6.033
  373   1HG   PRO 230          2HG       PRO 230   9.390   2.098   6.031
  374   2HG   PRO 230          1HG       PRO 230  11.125   2.452   5.928
  375   1HD   PRO 230          2HD       PRO 230   9.050   2.485   3.776
  376   2HD   PRO 230          1HD       PRO 230  10.433   3.572   4.029
  377    H    SER 231           H        SER 231  12.719  -0.899   2.288
  378    HA   SER 231           HA       SER 231  10.879  -2.240   0.763
  379   1HB   SER 231          2HB       SER 231  13.672  -2.343   1.138
  380   2HB   SER 231          1HB       SER 231  13.095  -4.003   1.290
  381    HG   SER 231           HG       SER 231  13.439  -3.657  -0.860
  382    H    TYR 232           H        TYR 232  10.561  -4.686   0.746
  383    HA   TYR 232           HA       TYR 232   9.070  -5.405   3.035
  384   1HB   TYR 232          2HB       TYR 232   8.953  -6.187   0.503
  385   2HB   TYR 232          1HB       TYR 232   9.978  -7.489   1.101
  386    HD1  TYR 232           1HD      TYR 232   8.986  -8.274   3.609
  387    HD2  TYR 232           2HD      TYR 232   6.766  -6.847   0.273
  388    HE1  TYR 232           1HE      TYR 232   6.996  -9.461   4.434
  389    HE2  TYR 232           2HE      TYR 232   4.768  -8.029   1.088
  390    HH   TYR 232           HH       TYR 232   4.471 -10.239   2.707
  391    H    ASP 233           H        ASP 233  10.864  -5.048   4.605
  392    HA   ASP 233           HA       ASP 233  11.816  -7.505   5.590
  393   1HB   ASP 233          2HB       ASP 233  13.649  -5.981   3.836
  394   2HB   ASP 233          1HB       ASP 233  14.337  -6.556   5.350
  395    H    GLU 234           H        GLU 234  12.280  -4.010   5.485
  396    HA   GLU 234           HA       GLU 234  12.704  -4.039   8.400
  397   1HB   GLU 234          2HB       GLU 234  13.768  -1.821   8.105
  398   2HB   GLU 234          1HB       GLU 234  14.609  -3.101   7.242
  399   1HG   GLU 234          2HG       GLU 234  13.569  -2.399   5.158
  400   2HG   GLU 234          1HG       GLU 234  12.689  -1.135   6.016
  401    H    ALA 235           H        ALA 235  10.157  -4.002   6.747
  402    HA   ALA 235           HA       ALA 235   9.038  -1.456   7.703
  403   1HB   ALA 235          1HB       ALA 235   7.670  -3.315   5.788
  404   2HB   ALA 235          2HB       ALA 235   8.872  -2.146   5.243
  405   3HB   ALA 235          3HB       ALA 235   7.401  -1.590   6.040
  406    H    LEU 236           H        LEU 236   7.769  -4.747   7.160
  407    HA   LEU 236           HA       LEU 236   5.818  -4.526   9.199
  408   1HB   LEU 236          2HB       LEU 236   6.922  -7.080   8.040
  409   2HB   LEU 236          1HB       LEU 236   5.355  -6.844   8.791
  410    HG   LEU 236           HG       LEU 236   5.733  -5.083   6.510
  411   1HD1  LEU 236          1HD1      LEU 236   5.817  -6.668   4.767
  412   2HD1  LEU 236          2HD1      LEU 236   5.646  -8.021   5.886
  413   3HD1  LEU 236          3HD1      LEU 236   7.139  -7.083   5.859
  414   1HD2  LEU 236          1HD2      LEU 236   3.582  -6.286   5.859
  415   2HD2  LEU 236          2HD2      LEU 236   3.565  -5.357   7.359
  416   3HD2  LEU 236          3HD2      LEU 236   3.714  -7.114   7.411
  417    H    HIS 237           H        HIS 237   5.759  -5.322  11.274
  418    HA   HIS 237           HA       HIS 237   8.188  -6.564  12.339
  419   1HB   HIS 237          2HB       HIS 237   7.474  -3.862  12.792
  420   2HB   HIS 237          1HB       HIS 237   7.155  -4.732  14.290
  421    HD1  HIS 237           1HD      HIS 237   9.103  -4.823  15.799
  422    HD2  HIS 237           2HD      HIS 237  10.256  -4.560  11.815
  423    HE1  HIS 237           1HE      HIS 237  11.615  -4.729  15.831
  424    HE2  HIS 237           2HE      HIS 237  12.288  -4.500  13.414
  Start of MODEL    8
    1   1H    GLY 521          1HT       GLY 521 -12.070   9.811 -16.136
    2   2H    GLY 521          2HT       GLY 521 -10.656   9.059 -15.593
    3   3H    GLY 521          3HT       GLY 521 -10.839  10.732 -15.429
    4   1HA   GLY 521          2HA       GLY 521 -12.988   9.936 -14.102
    5   2HA   GLY 521          1HA       GLY 521 -11.433  10.231 -13.338
    6    HA   PRO 522           HA       PRO 522 -10.914   6.013 -12.156
    7   1HB   PRO 522          2HB       PRO 522 -12.071   6.063  -9.677
    8   2HB   PRO 522          1HB       PRO 522 -10.458   6.698 -10.019
    9   1HG   PRO 522          2HG       PRO 522 -13.057   8.158  -9.768
   10   2HG   PRO 522          1HG       PRO 522 -11.456   8.605  -9.149
   11   1HD   PRO 522          2HD       PRO 522 -12.489   9.711 -11.382
   12   2HD   PRO 522          1HD       PRO 522 -10.749   9.406 -11.199
   13    H    LEU 523           H        LEU 523 -12.315   4.227 -10.969
   14    HA   LEU 523           HA       LEU 523 -14.420   3.560 -12.668
   15   1HB   LEU 523          2HB       LEU 523 -13.903   2.579  -9.860
   16   2HB   LEU 523          1HB       LEU 523 -14.962   1.806 -11.025
   17    HG   LEU 523           HG       LEU 523 -12.692   1.838 -12.464
   18   1HD1  LEU 523          1HD1      LEU 523 -11.170   0.922 -10.334
   19   2HD1  LEU 523          2HD1      LEU 523 -11.890   2.422  -9.749
   20   3HD1  LEU 523          3HD1      LEU 523 -10.937   2.422 -11.233
   21   1HD2  LEU 523          1HD2      LEU 523 -13.673  -0.159 -10.446
   22   2HD2  LEU 523          2HD2      LEU 523 -12.312  -0.493 -11.517
   23   3HD2  LEU 523          3HD2      LEU 523 -13.905  -0.155 -12.194
   24    H    GLY 524           H        GLY 524 -14.461   5.093  -9.478
   25   1HA   GLY 524          2HA       GLY 524 -16.323   6.840  -9.419
   26   2HA   GLY 524          1HA       GLY 524 -17.372   5.474  -9.767
   27    H    SER 525           H        SER 525 -16.621   3.518  -8.162
   28    HA   SER 525           HA       SER 525 -17.525   4.379  -5.604
   29   1HB   SER 525          2HB       SER 525 -17.249   2.024  -4.949
   30   2HB   SER 525          1HB       SER 525 -18.076   2.156  -6.500
   31    HG   SER 525           HG       SER 525 -16.573   0.753  -7.032
   32    H    GLY 526           H        GLY 526 -16.057   5.831  -4.739
   33   1HA   GLY 526          2HA       GLY 526 -13.394   4.718  -4.101
   34   2HA   GLY 526          1HA       GLY 526 -13.699   6.428  -4.362
   35    H    GLU 527           H        GLU 527 -14.664   3.730  -2.259
   36    HA   GLU 527           HA       GLU 527 -15.389   5.569  -0.137
   37   1HB   GLU 527          2HB       GLU 527 -15.947   3.482   1.113
   38   2HB   GLU 527          1HB       GLU 527 -16.801   3.645  -0.413
   39   1HG   GLU 527          2HG       GLU 527 -15.565   1.969  -1.432
   40   2HG   GLU 527          1HG       GLU 527 -14.261   2.079  -0.251
   41    H    GLU 528           H        GLU 528 -12.734   3.514  -1.037
   42    HA   GLU 528           HA       GLU 528 -10.906   4.733   0.679
   43   1HB   GLU 528          2HB       GLU 528 -12.350   3.392   2.338
   44   2HB   GLU 528          1HB       GLU 528 -11.564   1.971   1.665
   45   1HG   GLU 528          2HG       GLU 528  -9.369   3.031   2.253
   46   2HG   GLU 528          1HG       GLU 528 -10.281   4.261   3.126
   47    H    GLU 529           H        GLU 529 -11.813   1.809  -1.011
   48    HA   GLU 529           HA       GLU 529 -10.705   0.533  -2.540
   49   1HB   GLU 529          2HB       GLU 529  -9.853   2.930  -3.178
   50   2HB   GLU 529          1HB       GLU 529  -8.343   2.363  -2.480
   51   1HG   GLU 529          2HG       GLU 529  -8.529   2.092  -4.951
   52   2HG   GLU 529          1HG       GLU 529  -8.166   0.610  -4.068
   53    HA   PRO 530           HA       PRO 530  -8.328  -1.406   0.868
   54   1HB   PRO 530          2HB       PRO 530  -9.087  -3.942   0.252
   55   2HB   PRO 530          1HB       PRO 530 -10.063  -2.856   1.249
   56   1HG   PRO 530          2HG       PRO 530 -10.329  -3.512  -1.660
   57   2HG   PRO 530          1HG       PRO 530 -11.596  -3.356  -0.428
   58   1HD   PRO 530          2HD       PRO 530 -11.050  -1.385  -2.195
   59   2HD   PRO 530          1HD       PRO 530 -11.596  -1.050  -0.539
   60    H    LEU 531           H        LEU 531  -6.281  -2.025   0.716
   61    HA   LEU 531           HA       LEU 531  -4.706  -2.036  -1.469
   62   1HB   LEU 531          2HB       LEU 531  -3.593  -4.138   0.016
   63   2HB   LEU 531          1HB       LEU 531  -3.170  -2.441   0.084
   64    HG   LEU 531           HG       LEU 531  -5.443  -3.419   1.756
   65   1HD1  LEU 531          1HD1      LEU 531  -2.894  -4.582   1.894
   66   2HD1  LEU 531          2HD1      LEU 531  -4.213  -4.723   3.054
   67   3HD1  LEU 531          3HD1      LEU 531  -3.002  -3.455   3.245
   68   1HD2  LEU 531          1HD2      LEU 531  -3.642  -1.636   3.036
   69   2HD2  LEU 531          2HD2      LEU 531  -5.303  -1.342   2.518
   70   3HD2  LEU 531          3HD2      LEU 531  -3.964  -1.027   1.412
   71    HA   PRO 532           HA       PRO 532  -5.820  -5.260  -4.251
   72   1HB   PRO 532          2HB       PRO 532  -2.885  -5.542  -4.636
   73   2HB   PRO 532          1HB       PRO 532  -4.162  -5.334  -5.835
   74   1HG   PRO 532          2HG       PRO 532  -2.564  -3.314  -5.175
   75   2HG   PRO 532          1HG       PRO 532  -4.288  -3.050  -5.496
   76   1HD   PRO 532          2HD       PRO 532  -2.831  -3.100  -2.892
   77   2HD   PRO 532          1HD       PRO 532  -4.235  -2.132  -3.386
   78    HA   PRO 533           HA       PRO 533  -5.132  -9.284  -2.633
   79   1HB   PRO 533          2HB       PRO 533  -3.939 -10.356  -5.080
   80   2HB   PRO 533          1HB       PRO 533  -5.494 -10.722  -4.329
   81   1HG   PRO 533          2HG       PRO 533  -5.333  -9.342  -6.622
   82   2HG   PRO 533          1HG       PRO 533  -6.567  -8.970  -5.401
   83   1HD   PRO 533          2HD       PRO 533  -3.954  -7.590  -5.932
   84   2HD   PRO 533          1HD       PRO 533  -5.558  -6.881  -5.644
   85    H    ARG 534           H        ARG 534  -2.351  -7.644  -3.541
   86    HA   ARG 534           HA       ARG 534  -0.763  -9.525  -1.981
   87   1HB   ARG 534          2HB       ARG 534  -0.174  -8.853  -4.856
   88   2HB   ARG 534          1HB       ARG 534   1.062  -9.455  -3.758
   89   1HG   ARG 534          2HG       ARG 534  -1.513 -10.910  -4.290
   90   2HG   ARG 534          1HG       ARG 534  -0.036 -11.177  -5.216
   91   1HD   ARG 534          2HD       ARG 534   1.053 -12.163  -3.449
   92   2HD   ARG 534          1HD       ARG 534   0.089 -11.312  -2.244
   93    HE   ARG 534           HE       ARG 534  -1.659 -12.992  -3.542
   94   1HH1  ARG 534          1HH1      ARG 534   1.281 -13.333  -1.708
   95   2HH1  ARG 534          2HH1      ARG 534   0.876 -14.904  -1.103
   96   1HH2  ARG 534          1HH2      ARG 534  -2.206 -15.062  -2.745
   97   2HH2  ARG 534          2HH2      ARG 534  -1.106 -15.886  -1.692
   98    H    TRP 535           H        TRP 535  -1.634  -6.947  -1.356
   99    HA   TRP 535           HA       TRP 535   0.977  -5.658  -1.083
  100   1HB   TRP 535          2HB       TRP 535  -1.504  -4.199  -1.987
  101   2HB   TRP 535          1HB       TRP 535   0.039  -3.446  -1.596
  102    HD1  TRP 535           HD       TRP 535  -1.209  -6.186  -4.047
  103    HE1  TRP 535           1HE      TRP 535   0.033  -5.882  -6.273
  104    HE3  TRP 535           3HE      TRP 535   1.819  -2.307  -2.723
  105    HZ2  TRP 535           2HZ      TRP 535   2.054  -4.191  -7.319
  106    HZ3  TRP 535           3HZ      TRP 535   3.390  -1.404  -4.389
  107    HH2  TRP 535           HH       TRP 535   3.505  -2.333  -6.644
  108    H    SER 536           H        SER 536   0.860  -3.763   0.455
  109    HA   SER 536           HA       SER 536  -1.119  -4.177   2.580
  110   1HB   SER 536          2HB       SER 536   1.527  -5.082   2.742
  111   2HB   SER 536          1HB       SER 536   1.497  -3.594   3.682
  112    HG   SER 536           HG       SER 536  -0.045  -4.446   4.995
  113    H    MET 537           H        MET 537   0.170  -2.375   4.389
  114    HA   MET 537           HA       MET 537   0.609   0.118   3.027
  115   1HB   MET 537          2HB       MET 537  -1.997  -0.487   4.370
  116   2HB   MET 537          1HB       MET 537  -1.357   1.151   4.419
  117   1HG   MET 537          2HG       MET 537  -1.183   1.007   1.899
  118   2HG   MET 537          1HG       MET 537  -2.154  -0.459   2.019
  119   1HE   MET 537          1HE       MET 537  -3.308   3.862   2.570
  120   2HE   MET 537          2HE       MET 537  -2.925   3.213   0.976
  121   3HE   MET 537          3HE       MET 537  -1.729   3.135   2.271
  122    H    GLN 538           H        GLN 538   1.867   1.413   4.234
  123    HA   GLN 538           HA       GLN 538   1.742   1.524   7.078
  124   1HB   GLN 538          2HB       GLN 538   2.901  -0.635   6.811
  125   2HB   GLN 538          1HB       GLN 538   4.151   0.159   5.866
  126   1HG   GLN 538          2HG       GLN 538   5.223   0.253   7.829
  127   2HG   GLN 538          1HG       GLN 538   4.202   1.665   8.101
  128   1HE2  GLN 538          1HE2      GLN 538   4.089  -1.866   8.445
  129   2HE2  GLN 538          2HE2      GLN 538   3.282  -1.863   9.973
  130    H    VAL 539           H        VAL 539   2.917   3.232   7.929
  131    HA   VAL 539           HA       VAL 539   3.872   5.145   5.959
  132    HB   VAL 539           HB       VAL 539   2.376   5.983   7.682
  133   1HG1  VAL 539          1HG1      VAL 539   2.470   5.313   9.797
  134   2HG1  VAL 539          2HG1      VAL 539   4.117   5.925   9.960
  135   3HG1  VAL 539          3HG1      VAL 539   3.839   4.284   9.373
  136   1HG2  VAL 539          1HG2      VAL 539   3.461   7.914   7.526
  137   2HG2  VAL 539          2HG2      VAL 539   4.931   7.048   7.079
  138   3HG2  VAL 539          3HG2      VAL 539   4.593   7.394   8.775
  139    H    ALA 540           H        ALA 540   5.922   5.016   5.347
  140    HA   ALA 540           HA       ALA 540   7.937   3.708   6.870
  141   1HB   ALA 540          1HB       ALA 540   8.641   3.528   4.759
  142   2HB   ALA 540          2HB       ALA 540   9.287   5.156   4.965
  143   3HB   ALA 540          3HB       ALA 540   7.699   4.923   4.234
  144    HA   PRO 541           HA       PRO 541   9.771   6.942   9.234
  145   1HB   PRO 541          2HB       PRO 541  12.434   6.746   8.704
  146   2HB   PRO 541          1HB       PRO 541  11.563   5.586   9.712
  147   1HG   PRO 541          2HG       PRO 541  12.351   5.377   6.833
  148   2HG   PRO 541          1HG       PRO 541  12.432   4.148   8.107
  149   1HD   PRO 541          2HD       PRO 541  10.450   4.198   6.269
  150   2HD   PRO 541          1HD       PRO 541  10.188   3.637   7.933
  151    H    ASN 542           H        ASN 542  10.495   6.843   5.829
  152    HA   ASN 542           HA       ASN 542  11.838   9.226   5.436
  153   1HB   ASN 542          2HB       ASN 542  11.377   7.541   3.670
  154   2HB   ASN 542          1HB       ASN 542   9.692   8.054   3.652
  155   1HD2  ASN 542          1HD2      ASN 542   9.836   8.627   1.486
  156   2HD2  ASN 542          2HD2      ASN 542  10.660  10.053   0.969
  157    H    GLY 543           H        GLY 543   8.478   8.648   6.162
  158   1HA   GLY 543          2HA       GLY 543   7.374  10.505   7.356
  159   2HA   GLY 543          1HA       GLY 543   8.028  11.567   6.120
  160    H    ARG 544           H        ARG 544   7.273   9.051   4.302
  161    HA   ARG 544           HA       ARG 544   4.451   9.833   4.033
  162   1HB   ARG 544          2HB       ARG 544   4.605   9.983   1.716
  163   2HB   ARG 544          1HB       ARG 544   6.123  10.688   2.249
  164   1HG   ARG 544          2HG       ARG 544   7.249   8.538   1.795
  165   2HG   ARG 544          1HG       ARG 544   5.718   7.896   1.197
  166   1HD   ARG 544          2HD       ARG 544   6.832   8.569  -0.733
  167   2HD   ARG 544          1HD       ARG 544   5.725   9.900  -0.400
  168    HE   ARG 544           HE       ARG 544   8.116  10.521   0.851
  169   1HH1  ARG 544          1HH1      ARG 544   6.974   9.970  -2.391
  170   2HH1  ARG 544          2HH1      ARG 544   8.148  11.014  -3.121
  171   1HH2  ARG 544          1HH2      ARG 544   9.663  11.900  -0.097
  172   2HH2  ARG 544          2HH2      ARG 544   9.677  12.112  -1.816
  173    H    THR 545           H        THR 545   3.029   8.240   3.105
  174    HA   THR 545           HA       THR 545   3.637   5.604   4.099
  175    HB   THR 545           HB       THR 545   1.308   5.140   2.976
  176    HG1  THR 545           1HG      THR 545   0.067   7.043   2.810
  177   1HG2  THR 545          1HG2      THR 545   1.088   4.986   5.218
  178   2HG2  THR 545          2HG2      THR 545   0.364   6.587   5.073
  179   3HG2  THR 545          3HG2      THR 545   2.064   6.424   5.514
  180    H    PHE 546           H        PHE 546   3.803   3.723   2.911
  181    HA   PHE 546           HA       PHE 546   4.125   4.075   0.011
  182   1HB   PHE 546          2HB       PHE 546   5.907   2.339   0.144
  183   2HB   PHE 546          1HB       PHE 546   6.321   3.832   0.976
  184    HD1  PHE 546           1HD      PHE 546   6.012   3.918   3.499
  185    HD2  PHE 546           2HD      PHE 546   5.934   0.297   1.254
  186    HE1  PHE 546           1HE      PHE 546   6.460   2.626   5.551
  187    HE2  PHE 546           2HE      PHE 546   6.380  -0.991   3.301
  188    HZ   PHE 546           HZ       PHE 546   6.642   0.176   5.453
  189    H    PHE 547           H        PHE 547   4.295   1.710  -0.982
  190    HA   PHE 547           HA       PHE 547   2.123   0.109   0.193
  191   1HB   PHE 547          2HB       PHE 547   2.260   1.349  -2.420
  192   2HB   PHE 547          1HB       PHE 547   2.072  -0.397  -2.562
  193    HD1  PHE 547           1HD      PHE 547   0.531   2.722  -1.452
  194    HD2  PHE 547           2HD      PHE 547   0.083  -1.501  -1.728
  195    HE1  PHE 547           1HE      PHE 547  -1.872   2.949  -0.977
  196    HE2  PHE 547           2HE      PHE 547  -2.321  -1.281  -1.252
  197    HZ   PHE 547           HZ       PHE 547  -3.301   0.947  -0.876
  198    H    ILE 548           H        ILE 548   2.758  -1.825   0.738
  199    HA   ILE 548           HA       ILE 548   5.291  -2.862  -0.139
  200    HB   ILE 548           HB       ILE 548   3.160  -4.093   1.617
  201   1HG1  ILE 548          2HG1      ILE 548   5.600  -3.439   2.964
  202   2HG1  ILE 548          1HG1      ILE 548   5.046  -2.021   2.079
  203   1HG2  ILE 548          1HG2      ILE 548   5.917  -5.016   0.872
  204   2HG2  ILE 548          2HG2      ILE 548   4.397  -5.906   0.795
  205   3HG2  ILE 548          3HG2      ILE 548   5.126  -5.540   2.358
  206   1HD1  ILE 548          1HD1      ILE 548   4.169  -1.967   4.307
  207   2HD1  ILE 548          2HD1      ILE 548   3.500  -3.589   4.127
  208   3HD1  ILE 548          3HD1      ILE 548   2.846  -2.254   3.178
  209    H    ASP 549           H        ASP 549   5.672  -4.450  -1.573
  210    HA   ASP 549           HA       ASP 549   3.369  -5.440  -3.101
  211   1HB   ASP 549          2HB       ASP 549   4.892  -4.186  -4.472
  212   2HB   ASP 549          1HB       ASP 549   6.273  -5.087  -3.857
  213    H    HIS 550           H        HIS 550   2.752  -7.328  -2.243
  214    HA   HIS 550           HA       HIS 550   4.545  -9.219  -1.091
  215   1HB   HIS 550          2HB       HIS 550   1.638  -9.383  -1.894
  216   2HB   HIS 550          1HB       HIS 550   2.497 -10.718  -1.134
  217    HD2  HIS 550           2HD      HIS 550   2.482  -6.920  -0.052
  218    HE1  HIS 550           1HE      HIS 550   1.241  -9.371   3.166
  219    HE2  HIS 550           2HE      HIS 550   1.604  -6.988   2.388
  220    H    ALA 551           H        ALA 551   3.349  -8.629  -4.280
  221    HA   ALA 551           HA       ALA 551   3.560 -11.128  -5.468
  222   1HB   ALA 551          1HB       ALA 551   2.857  -8.722  -6.375
  223   2HB   ALA 551          2HB       ALA 551   3.312 -10.045  -7.449
  224   3HB   ALA 551          3HB       ALA 551   4.488  -8.796  -7.042
  225    H    SER 552           H        SER 552   6.065  -8.760  -4.733
  226    HA   SER 552           HA       SER 552   8.079 -10.811  -5.340
  227   1HB   SER 552          2HB       SER 552   7.682  -8.465  -6.844
  228   2HB   SER 552          1HB       SER 552   9.130  -8.185  -5.881
  229    HG   SER 552           HG       SER 552   9.663 -10.450  -6.685
  230    H    ARG 553           H        ARG 553   6.770  -9.414  -2.889
  231    HA   ARG 553           HA       ARG 553   7.395  -8.714  -0.823
  232   1HB   ARG 553          2HB       ARG 553   9.658 -10.453  -1.705
  233   2HB   ARG 553          1HB       ARG 553   9.806  -9.567  -0.194
  234   1HG   ARG 553          2HG       ARG 553   8.986 -11.679   0.398
  235   2HG   ARG 553          1HG       ARG 553   7.586 -10.605   0.463
  236   1HD   ARG 553          2HD       ARG 553   7.086 -11.345  -1.907
  237   2HD   ARG 553          1HD       ARG 553   8.302 -12.598  -1.673
  238    HE   ARG 553           HE       ARG 553   6.487 -12.730   0.449
  239   1HH1  ARG 553          1HH1      ARG 553   6.584 -13.252  -2.992
  240   2HH1  ARG 553          2HH1      ARG 553   5.340 -14.456  -2.976
  241   1HH2  ARG 553          1HH2      ARG 553   4.846 -14.317   0.482
  242   2HH2  ARG 553          2HH2      ARG 553   4.351 -15.060  -1.001
  243    H    ARG 554           H        ARG 554   7.405  -6.536  -2.010
  244    HA   ARG 554           HA       ARG 554   9.897  -5.190  -1.317
  245   1HB   ARG 554          2HB       ARG 554   8.635  -4.544  -3.958
  246   2HB   ARG 554          1HB       ARG 554  10.263  -4.187  -3.397
  247   1HG   ARG 554          2HG       ARG 554   9.326  -6.994  -3.891
  248   2HG   ARG 554          1HG       ARG 554  10.009  -5.986  -5.168
  249   1HD   ARG 554          2HD       ARG 554  11.625  -5.960  -2.757
  250   2HD   ARG 554          1HD       ARG 554  11.415  -7.587  -3.402
  251    HE   ARG 554           HE       ARG 554  12.070  -6.025  -5.563
  252   1HH1  ARG 554          1HH1      ARG 554  13.529  -6.814  -2.502
  253   2HH1  ARG 554          2HH1      ARG 554  15.152  -6.648  -3.086
  254   1HH2  ARG 554          1HH2      ARG 554  14.200  -5.806  -6.344
  255   2HH2  ARG 554          2HH2      ARG 554  15.533  -6.075  -5.271
  256    H    THR 555           H        THR 555   9.238  -2.700  -2.442
  257    HA   THR 555           HA       THR 555   6.600  -1.967  -1.472
  258    HB   THR 555           HB       THR 555   7.372  -0.279   0.090
  259    HG1  THR 555           1HG      THR 555  10.016  -1.267  -0.230
  260   1HG2  THR 555          1HG2      THR 555   8.690  -2.937   0.665
  261   2HG2  THR 555          2HG2      THR 555   6.995  -2.549   0.959
  262   3HG2  THR 555          3HG2      THR 555   8.262  -1.711   1.857
  263    H    THR 556           H        THR 556   6.342   0.526  -1.687
  264    HA   THR 556           HA       THR 556   8.004   1.876  -3.569
  265    HB   THR 556           HB       THR 556   7.008   0.493  -5.234
  266    HG1  THR 556           1HG      THR 556   6.748   2.250  -6.370
  267   1HG2  THR 556          1HG2      THR 556   4.369   1.182  -3.943
  268   2HG2  THR 556          2HG2      THR 556   5.126  -0.408  -4.043
  269   3HG2  THR 556          3HG2      THR 556   4.525   0.377  -5.504
  270    H    TRP 557           H        TRP 557   7.186   4.010  -4.131
  271    HA   TRP 557           HA       TRP 557   5.646   5.147  -1.942
  272   1HB   TRP 557          2HB       TRP 557   7.212   6.371  -4.210
  273   2HB   TRP 557          1HB       TRP 557   6.286   7.327  -3.062
  274    HD1  TRP 557           HD       TRP 557   9.669   6.672  -3.623
  275    HE1  TRP 557           1HE      TRP 557  11.074   6.596  -1.467
  276    HE3  TRP 557           3HE      TRP 557   5.903   6.058  -0.247
  277    HZ2  TRP 557           2HZ      TRP 557  10.634   6.318   1.309
  278    HZ3  TRP 557           3HZ      TRP 557   6.473   5.894   2.144
  279    HH2  TRP 557           HH       TRP 557   8.789   6.021   2.905
  280    H    ILE 558           H        ILE 558   4.534   3.602  -4.426
  281    HA   ILE 558           HA       ILE 558   2.432   5.580  -4.992
  282    HB   ILE 558           HB       ILE 558   3.470   3.621  -7.027
  283   1HG1  ILE 558          2HG1      ILE 558   5.131   5.414  -6.242
  284   2HG1  ILE 558          1HG1      ILE 558   4.817   5.312  -7.974
  285   1HG2  ILE 558          1HG2      ILE 558   1.755   6.075  -7.373
  286   2HG2  ILE 558          2HG2      ILE 558   1.134   4.427  -7.269
  287   3HG2  ILE 558          3HG2      ILE 558   2.184   4.892  -8.608
  288   1HD1  ILE 558          1HD1      ILE 558   2.966   7.140  -6.829
  289   2HD1  ILE 558          2HD1      ILE 558   4.252   7.448  -7.997
  290   3HD1  ILE 558          3HD1      ILE 558   4.588   7.548  -6.269
  291    H    ASP 559           H        ASP 559   0.370   4.863  -4.980
  292    HA   ASP 559           HA       ASP 559  -0.144   2.311  -3.794
  293   1HB   ASP 559          2HB       ASP 559  -2.553   3.021  -4.018
  294   2HB   ASP 559          1HB       ASP 559  -1.532   4.130  -3.107
  295    HA   PRO 560           HA       PRO 560  -0.717   0.126  -7.628
  296   1HB   PRO 560          2HB       PRO 560  -1.670  -2.187  -6.635
  297   2HB   PRO 560          1HB       PRO 560   0.020  -1.709  -6.438
  298   1HG   PRO 560          2HG       PRO 560  -2.233  -1.554  -4.482
  299   2HG   PRO 560          1HG       PRO 560  -0.548  -2.001  -4.212
  300   1HD   PRO 560          2HD       PRO 560  -1.586   0.471  -3.651
  301   2HD   PRO 560          1HD       PRO 560   0.127   0.161  -3.986
  302    H    ARG 561           H        ARG 561  -3.289   0.444  -5.257
  303    HA   ARG 561           HA       ARG 561  -5.443  -0.553  -6.681
  304   1HB   ARG 561          2HB       ARG 561  -6.734   1.304  -5.362
  305   2HB   ARG 561          1HB       ARG 561  -5.983  -0.031  -4.502
  306   1HG   ARG 561          2HG       ARG 561  -4.284   1.293  -3.659
  307   2HG   ARG 561          1HG       ARG 561  -4.482   2.520  -4.912
  308   1HD   ARG 561          2HD       ARG 561  -5.563   3.649  -3.296
  309   2HD   ARG 561          1HD       ARG 561  -6.911   2.607  -3.734
  310    HE   ARG 561           HE       ARG 561  -5.662   1.154  -1.857
  311   1HH1  ARG 561          1HH1      ARG 561  -6.671   4.489  -1.943
  312   2HH1  ARG 561          2HH1      ARG 561  -6.927   4.590  -0.232
  313   1HH2  ARG 561          1HH2      ARG 561  -6.001   1.279   0.396
  314   2HH2  ARG 561          2HH2      ARG 561  -6.546   2.767   1.096
  315    H    ASN 562           H        ASN 562  -3.701   2.429  -7.106
  316    HA   ASN 562           HA       ASN 562  -5.388   3.022  -9.434
  317   1HB   ASN 562          2HB       ASN 562  -4.331   5.354  -7.912
  318   2HB   ASN 562          1HB       ASN 562  -5.796   5.212  -8.875
  319   1HD2  ASN 562          1HD2      ASN 562  -4.432   5.097  -5.770
  320   2HD2  ASN 562          2HD2      ASN 562  -5.865   4.693  -4.896
  321    H    GLY 563           H        GLY 563  -2.573   4.527  -7.844
  322   1HA   GLY 563          2HA       GLY 563  -0.376   3.860  -8.967
  323   2HA   GLY 563          1HA       GLY 563  -1.176   4.397 -10.437
  324    H    ARG 564           H        ARG 564  -1.291   5.861  -7.212
  325    HA   ARG 564           HA       ARG 564   0.128   8.199  -8.304
  326   1HB   ARG 564          2HB       ARG 564  -2.148   8.398  -6.337
  327   2HB   ARG 564          1HB       ARG 564  -1.382   9.698  -7.237
  328   1HG   ARG 564          2HG       ARG 564  -2.626   9.339  -9.071
  329   2HG   ARG 564          1HG       ARG 564  -2.587   7.584  -8.882
  330   1HD   ARG 564          2HD       ARG 564  -4.760   7.857  -8.352
  331   2HD   ARG 564          1HD       ARG 564  -4.109   8.259  -6.764
  332    HE   ARG 564           HE       ARG 564  -4.760  10.433  -7.082
  333   1HH1  ARG 564          1HH1      ARG 564  -4.858   8.746 -10.126
  334   2HH1  ARG 564          2HH1      ARG 564  -5.647  10.040 -10.966
  335   1HH2  ARG 564          1HH2      ARG 564  -5.796  12.144  -8.178
  336   2HH2  ARG 564          2HH2      ARG 564  -6.179  11.973  -9.858
  337    H    ALA 565           H        ALA 565   1.280   9.482  -6.763
  338    HA   ALA 565           HA       ALA 565   2.744   8.004  -4.895
  339   1HB   ALA 565          1HB       ALA 565   2.405  10.999  -4.934
  340   2HB   ALA 565          2HB       ALA 565   3.509  10.101  -5.978
  341   3HB   ALA 565          3HB       ALA 565   3.741  10.087  -4.230
  342    H    SER 566           H        SER 566   1.325   6.931  -3.500
  343    HA   SER 566           HA       SER 566   0.154   6.616  -1.577
  344   1HB   SER 566          2HB       SER 566   1.915   7.902  -0.509
  345   2HB   SER 566          1HB       SER 566   1.149   9.416  -0.994
  346    HG   SER 566           HG       SER 566   0.452   9.129   1.037
  347   1H    THR 227          1HT       THR 227  14.419  11.380   0.990
  348   2H    THR 227          2HT       THR 227  15.147  10.319   2.087
  349   3H    THR 227          3HT       THR 227  13.574  10.874   2.366
  350    HA   THR 227           HA       THR 227  12.628   9.455   0.932
  351    HB   THR 227           HB       THR 227  13.646  10.354  -1.059
  352    HG1  THR 227           1HG      THR 227  12.708   8.343  -1.395
  353   1HG2  THR 227          1HG2      THR 227  15.919  10.630  -0.523
  354   2HG2  THR 227          2HG2      THR 227  15.906   9.383  -1.770
  355   3HG2  THR 227          3HG2      THR 227  16.108   8.934  -0.077
  356    H    GLY 228           H        GLY 228  12.360   7.314   1.293
  357   1HA   GLY 228          2HA       GLY 228  14.715   5.746   2.102
  358   2HA   GLY 228          1HA       GLY 228  13.311   5.801   3.156
  359    H    LEU 229           H        LEU 229  11.322   4.873   2.400
  360    HA   LEU 229           HA       LEU 229  10.042   3.297   1.371
  361   1HB   LEU 229          2HB       LEU 229  10.789   4.468  -0.713
  362   2HB   LEU 229          1HB       LEU 229  12.106   3.318  -0.828
  363    HG   LEU 229           HG       LEU 229  10.296   1.505  -0.864
  364   1HD1  LEU 229          1HD1      LEU 229   8.109   2.029  -1.124
  365   2HD1  LEU 229          2HD1      LEU 229   8.456   3.540  -1.966
  366   3HD1  LEU 229          3HD1      LEU 229   8.598   3.457  -0.211
  367   1HD2  LEU 229          1HD2      LEU 229  11.665   2.634  -2.812
  368   2HD2  LEU 229          2HD2      LEU 229  10.072   3.233  -3.276
  369   3HD2  LEU 229          3HD2      LEU 229  10.360   1.497  -3.151
  370    HA   PRO 230           HA       PRO 230  12.632   0.034   3.282
  371   1HB   PRO 230          2HB       PRO 230   9.907  -1.093   3.631
  372   2HB   PRO 230          1HB       PRO 230  11.204  -0.901   4.815
  373   1HG   PRO 230          2HG       PRO 230   9.066   0.693   4.854
  374   2HG   PRO 230          1HG       PRO 230  10.684   1.319   5.225
  375   1HD   PRO 230          2HD       PRO 230   9.065   1.599   2.727
  376   2HD   PRO 230          1HD       PRO 230  10.126   2.780   3.524
  377    H    SER 231           H        SER 231  11.443  -2.559   3.103
  378    HA   SER 231           HA       SER 231  10.844  -3.079   0.334
  379   1HB   SER 231          2HB       SER 231  13.418  -2.840   0.582
  380   2HB   SER 231          1HB       SER 231  13.329  -4.411   1.377
  381    HG   SER 231           HG       SER 231  13.065  -5.308  -0.499
  382    H    TYR 232           H        TYR 232   9.243  -3.582   2.421
  383    HA   TYR 232           HA       TYR 232   8.075  -5.188   3.537
  384   1HB   TYR 232          2HB       TYR 232   8.043  -5.909   1.034
  385   2HB   TYR 232          1HB       TYR 232   9.129  -7.189   1.559
  386    HD1  TYR 232           1HD      TYR 232   7.646  -7.343   4.379
  387    HD2  TYR 232           2HD      TYR 232   6.383  -7.541   0.320
  388    HE1  TYR 232           1HE      TYR 232   5.715  -8.700   5.053
  389    HE2  TYR 232           2HE      TYR 232   4.447  -8.903   0.986
  390    HH   TYR 232           HH       TYR 232   4.024 -10.558   3.175
  391    H    ASP 233           H        ASP 233  10.317  -4.713   4.878
  392    HA   ASP 233           HA       ASP 233  10.891  -7.248   6.107
  393   1HB   ASP 233          2HB       ASP 233  12.555  -6.723   4.071
  394   2HB   ASP 233          1HB       ASP 233  13.377  -5.812   5.335
  395    H    GLU 234           H        GLU 234  12.157  -3.919   5.862
  396    HA   GLU 234           HA       GLU 234  12.227  -3.810   8.797
  397   1HB   GLU 234          2HB       GLU 234  13.671  -1.779   8.422
  398   2HB   GLU 234          1HB       GLU 234  14.364  -3.302   7.882
  399   1HG   GLU 234          2HG       GLU 234  13.857  -2.793   5.597
  400   2HG   GLU 234          1HG       GLU 234  12.963  -1.350   6.073
  401    H    ALA 235           H        ALA 235   9.738  -3.628   8.154
  402    HA   ALA 235           HA       ALA 235   8.912  -1.071   8.968
  403   1HB   ALA 235          1HB       ALA 235   8.178   0.001   7.083
  404   2HB   ALA 235          2HB       ALA 235   7.996  -1.495   6.168
  405   3HB   ALA 235          3HB       ALA 235   9.601  -0.818   6.439
  406    H    LEU 236           H        LEU 236   8.324  -3.498   9.945
  407    HA   LEU 236           HA       LEU 236   5.486  -3.831   9.240
  408   1HB   LEU 236          2HB       LEU 236   7.391  -5.720   8.742
  409   2HB   LEU 236          1HB       LEU 236   6.843  -6.201  10.337
  410    HG   LEU 236           HG       LEU 236   4.520  -5.710   8.803
  411   1HD1  LEU 236          1HD1      LEU 236   5.458  -5.935   6.722
  412   2HD1  LEU 236          2HD1      LEU 236   5.051  -7.612   7.090
  413   3HD1  LEU 236          3HD1      LEU 236   6.710  -7.043   7.284
  414   1HD2  LEU 236          1HD2      LEU 236   4.604  -7.295  10.590
  415   2HD2  LEU 236          2HD2      LEU 236   5.860  -8.227   9.775
  416   3HD2  LEU 236          3HD2      LEU 236   4.230  -8.171   9.106
  417    H    HIS 237           H        HIS 237   5.863  -2.087  11.104
  418    HA   HIS 237           HA       HIS 237   6.046  -3.309  13.731
  419   1HB   HIS 237          2HB       HIS 237   5.959  -0.523  12.673
  420   2HB   HIS 237          1HB       HIS 237   5.416  -0.791  14.327
  421    HD1  HIS 237           1HD      HIS 237   7.345   0.219  15.580
  422    HD2  HIS 237           2HD      HIS 237   8.561  -2.552  12.730
  423    HE1  HIS 237           1HE      HIS 237   9.806  -0.117  15.975
  424    HE2  HIS 237           2HE      HIS 237  10.533  -1.755  14.204
  Start of MODEL    9
    1   1H    GLY 521          1HT       GLY 521 -19.405  -0.298   4.522
    2   2H    GLY 521          2HT       GLY 521 -20.797  -0.127   3.579
    3   3H    GLY 521          3HT       GLY 521 -19.354  -0.646   2.867
    4   1HA   GLY 521          1HA       GLY 521 -21.350  -2.152   4.288
    5   2HA   GLY 521          2HA       GLY 521 -20.163  -2.698   3.114
    6    HA   PRO 522           HA       PRO 522 -17.889  -4.640   6.341
    7   1HB   PRO 522          2HB       PRO 522 -15.312  -4.284   5.514
    8   2HB   PRO 522          1HB       PRO 522 -16.417  -5.453   4.784
    9   1HG   PRO 522          2HG       PRO 522 -15.669  -2.712   3.846
   10   2HG   PRO 522          1HG       PRO 522 -15.861  -4.205   2.907
   11   1HD   PRO 522          2HD       PRO 522 -17.769  -2.298   2.984
   12   2HD   PRO 522          1HD       PRO 522 -18.163  -4.025   2.857
   13    H    LEU 523           H        LEU 523 -15.516  -4.125   7.490
   14    HA   LEU 523           HA       LEU 523 -16.082  -1.766   9.046
   15   1HB   LEU 523          2HB       LEU 523 -14.062  -3.973   9.212
   16   2HB   LEU 523          1HB       LEU 523 -13.867  -2.525  10.181
   17    HG   LEU 523           HG       LEU 523 -16.245  -4.385  10.271
   18   1HD1  LEU 523          1HD1      LEU 523 -14.325  -3.944  12.513
   19   2HD1  LEU 523          2HD1      LEU 523 -13.929  -5.089  11.231
   20   3HD1  LEU 523          3HD1      LEU 523 -15.388  -5.314  12.195
   21   1HD2  LEU 523          1HD2      LEU 523 -16.948  -2.150  10.776
   22   2HD2  LEU 523          2HD2      LEU 523 -15.568  -1.906  11.847
   23   3HD2  LEU 523          3HD2      LEU 523 -16.837  -3.049  12.288
   24    H    GLY 524           H        GLY 524 -15.734  -0.019   7.678
   25   1HA   GLY 524          2HA       GLY 524 -12.900   0.593   7.228
   26   2HA   GLY 524          1HA       GLY 524 -14.004   0.702   5.866
   27    H    SER 525           H        SER 525 -12.375   2.771   7.225
   28    HA   SER 525           HA       SER 525 -14.549   4.565   8.081
   29   1HB   SER 525          2HB       SER 525 -12.015   3.982   9.275
   30   2HB   SER 525          1HB       SER 525 -12.027   5.674   8.779
   31    HG   SER 525           HG       SER 525 -12.888   5.244  10.919
   32    H    GLY 526           H        GLY 526 -15.146   5.510   6.185
   33   1HA   GLY 526          2HA       GLY 526 -14.912   7.396   4.780
   34   2HA   GLY 526          1HA       GLY 526 -13.168   7.290   4.968
   35    H    GLU 527           H        GLU 527 -14.287   7.684   2.489
   36    HA   GLU 527           HA       GLU 527 -14.591   5.199   1.087
   37   1HB   GLU 527          2HB       GLU 527 -14.090   7.942  -0.076
   38   2HB   GLU 527          1HB       GLU 527 -14.772   6.548  -0.905
   39   1HG   GLU 527          2HG       GLU 527 -16.826   6.951  -0.137
   40   2HG   GLU 527          1HG       GLU 527 -16.250   7.316   1.488
   41    H    GLU 528           H        GLU 528 -12.558   4.242   1.842
   42    HA   GLU 528           HA       GLU 528 -10.242   5.181   0.280
   43   1HB   GLU 528          2HB       GLU 528  -9.809   5.353   2.654
   44   2HB   GLU 528          1HB       GLU 528 -10.326   3.691   2.908
   45   1HG   GLU 528          2HG       GLU 528  -8.245   3.018   2.626
   46   2HG   GLU 528          1HG       GLU 528  -8.277   3.630   0.973
   47    H    GLU 529           H        GLU 529  -9.655   3.916  -1.344
   48    HA   GLU 529           HA       GLU 529 -10.817   1.322  -1.707
   49   1HB   GLU 529          2HB       GLU 529 -10.213   3.059  -3.511
   50   2HB   GLU 529          1HB       GLU 529  -8.571   2.450  -3.354
   51   1HG   GLU 529          2HG       GLU 529  -9.130   0.361  -4.194
   52   2HG   GLU 529          1HG       GLU 529 -10.849   0.585  -3.872
   53    HA   PRO 530           HA       PRO 530  -7.661  -0.802   0.712
   54   1HB   PRO 530          2HB       PRO 530  -8.768  -3.118  -0.798
   55   2HB   PRO 530          1HB       PRO 530  -8.503  -2.928   0.940
   56   1HG   PRO 530          2HG       PRO 530 -10.957  -2.784  -0.076
   57   2HG   PRO 530          1HG       PRO 530 -10.451  -1.703   1.237
   58   1HD   PRO 530          2HD       PRO 530 -10.763  -1.129  -1.680
   59   2HD   PRO 530          1HD       PRO 530 -11.134  -0.100  -0.281
   60    H    LEU 531           H        LEU 531  -6.029  -2.615   0.129
   61    HA   LEU 531           HA       LEU 531  -4.705  -1.787  -2.339
   62   1HB   LEU 531          2HB       LEU 531  -3.315  -3.747  -0.646
   63   2HB   LEU 531          1HB       LEU 531  -2.744  -2.240  -1.329
   64    HG   LEU 531           HG       LEU 531  -4.439  -1.357   0.640
   65   1HD1  LEU 531          1HD1      LEU 531  -3.311  -4.004   1.416
   66   2HD1  LEU 531          2HD1      LEU 531  -4.885  -3.297   1.784
   67   3HD1  LEU 531          3HD1      LEU 531  -3.443  -2.729   2.628
   68   1HD2  LEU 531          1HD2      LEU 531  -2.163  -1.213   1.941
   69   2HD2  LEU 531          2HD2      LEU 531  -2.443  -0.260   0.484
   70   3HD2  LEU 531          3HD2      LEU 531  -1.504  -1.750   0.396
   71    HA   PRO 532           HA       PRO 532  -5.720  -5.221  -4.860
   72   1HB   PRO 532          2HB       PRO 532  -2.770  -5.552  -5.206
   73   2HB   PRO 532          1HB       PRO 532  -4.047  -5.498  -6.425
   74   1HG   PRO 532          2HG       PRO 532  -2.533  -3.379  -6.028
   75   2HG   PRO 532          1HG       PRO 532  -4.276  -3.194  -6.281
   76   1HD   PRO 532          2HD       PRO 532  -2.699  -2.990  -3.753
   77   2HD   PRO 532          1HD       PRO 532  -4.129  -2.073  -4.270
   78    HA   PRO 533           HA       PRO 533  -5.473  -9.262  -3.184
   79   1HB   PRO 533          2HB       PRO 533  -3.450 -10.080  -5.195
   80   2HB   PRO 533          1HB       PRO 533  -4.945 -10.884  -4.710
   81   1HG   PRO 533          2HG       PRO 533  -4.795  -9.497  -6.985
   82   2HG   PRO 533          1HG       PRO 533  -6.268  -9.491  -5.997
   83   1HD   PRO 533          2HD       PRO 533  -4.230  -7.379  -6.376
   84   2HD   PRO 533          1HD       PRO 533  -5.954  -7.225  -5.992
   85    H    ARG 534           H        ARG 534  -2.247  -8.300  -4.170
   86    HA   ARG 534           HA       ARG 534  -1.268  -9.396  -1.618
   87   1HB   ARG 534          2HB       ARG 534   0.055  -9.429  -4.326
   88   2HB   ARG 534          1HB       ARG 534   0.896  -9.823  -2.831
   89   1HG   ARG 534          2HG       ARG 534  -1.617 -11.254  -3.589
   90   2HG   ARG 534          1HG       ARG 534  -0.063 -11.733  -4.266
   91   1HD   ARG 534          2HD       ARG 534  -0.355 -11.382  -1.314
   92   2HD   ARG 534          1HD       ARG 534  -0.946 -12.855  -2.082
   93    HE   ARG 534           HE       ARG 534   1.621 -12.525  -3.005
   94   1HH1  ARG 534          1HH1      ARG 534   0.086 -12.873   0.100
   95   2HH1  ARG 534          2HH1      ARG 534   1.454 -13.639   0.837
   96   1HH2  ARG 534          1HH2      ARG 534   3.431 -13.531  -2.046
   97   2HH2  ARG 534          2HH2      ARG 534   3.357 -14.012  -0.384
   98    H    TRP 535           H        TRP 535  -1.884  -7.056  -1.074
   99    HA   TRP 535           HA       TRP 535   0.604  -5.576  -1.089
  100   1HB   TRP 535          2HB       TRP 535  -1.924  -4.508  -2.309
  101   2HB   TRP 535          1HB       TRP 535  -0.634  -3.451  -1.739
  102    HD1  TRP 535           HD       TRP 535  -1.222  -6.252  -4.328
  103    HE1  TRP 535           1HE      TRP 535   0.445  -5.923  -6.257
  104    HE3  TRP 535           3HE      TRP 535   1.497  -2.391  -2.376
  105    HZ2  TRP 535           2HZ      TRP 535   2.646  -4.241  -6.859
  106    HZ3  TRP 535           3HZ      TRP 535   3.370  -1.486  -3.687
  107    HH2  TRP 535           HH       TRP 535   3.933  -2.392  -5.882
  108    H    SER 536           H        SER 536   0.587  -3.697   0.330
  109    HA   SER 536           HA       SER 536  -1.512  -3.504   2.307
  110   1HB   SER 536          2HB       SER 536   1.154  -4.741   2.884
  111   2HB   SER 536          1HB       SER 536   0.353  -3.794   4.132
  112    HG   SER 536           HG       SER 536  -0.870  -5.947   2.752
  113    H    MET 537           H        MET 537  -0.383  -2.002   4.209
  114    HA   MET 537           HA       MET 537   1.193   0.076   2.889
  115   1HB   MET 537          2HB       MET 537  -1.608   0.321   3.771
  116   2HB   MET 537          1HB       MET 537  -0.548   1.628   4.281
  117   1HG   MET 537          2HG       MET 537   0.143   1.914   1.917
  118   2HG   MET 537          1HG       MET 537  -1.054   0.705   1.466
  119   1HE   MET 537          1HE       MET 537  -3.315   0.729   2.094
  120   2HE   MET 537          2HE       MET 537  -3.939   1.887   0.921
  121   3HE   MET 537          3HE       MET 537  -4.295   2.091   2.636
  122    H    GLN 538           H        GLN 538   2.308   1.469   4.286
  123    HA   GLN 538           HA       GLN 538   2.140   1.249   7.124
  124   1HB   GLN 538          2HB       GLN 538   4.032  -0.460   5.656
  125   2HB   GLN 538          1HB       GLN 538   4.763   0.486   6.945
  126   1HG   GLN 538          2HG       GLN 538   2.384  -0.622   7.976
  127   2HG   GLN 538          1HG       GLN 538   3.233  -1.906   7.118
  128   1HE2  GLN 538          1HE2      GLN 538   5.176  -2.646   7.888
  129   2HE2  GLN 538          2HE2      GLN 538   5.807  -2.209   9.436
  130    H    VAL 539           H        VAL 539   3.103   2.978   8.101
  131    HA   VAL 539           HA       VAL 539   4.073   5.066   6.378
  132    HB   VAL 539           HB       VAL 539   2.636   5.579   8.313
  133   1HG1  VAL 539          1HG1      VAL 539   4.537   3.958   9.694
  134   2HG1  VAL 539          2HG1      VAL 539   3.017   4.630  10.283
  135   3HG1  VAL 539          3HG1      VAL 539   4.507   5.561  10.427
  136   1HG2  VAL 539          1HG2      VAL 539   4.873   7.076   9.264
  137   2HG2  VAL 539          2HG2      VAL 539   3.540   7.605   8.237
  138   3HG2  VAL 539          3HG2      VAL 539   4.990   6.912   7.512
  139    H    ALA 540           H        ALA 540   6.112   5.867   6.201
  140    HA   ALA 540           HA       ALA 540   8.245   4.282   7.468
  141   1HB   ALA 540          1HB       ALA 540   9.342   5.766   5.358
  142   2HB   ALA 540          2HB       ALA 540   7.810   5.129   4.759
  143   3HB   ALA 540          3HB       ALA 540   9.030   4.032   5.407
  144    HA   PRO 541           HA       PRO 541   9.962   7.846   9.421
  145   1HB   PRO 541          2HB       PRO 541  12.614   7.725   8.918
  146   2HB   PRO 541          1HB       PRO 541  11.798   6.560   9.967
  147   1HG   PRO 541          2HG       PRO 541  12.616   6.281   7.102
  148   2HG   PRO 541          1HG       PRO 541  12.755   5.108   8.426
  149   1HD   PRO 541          2HD       PRO 541  10.771   5.031   6.558
  150   2HD   PRO 541          1HD       PRO 541  10.570   4.429   8.216
  151    H    ASN 542           H        ASN 542  10.578   7.477   6.019
  152    HA   ASN 542           HA       ASN 542  11.860   9.828   5.362
  153   1HB   ASN 542          2HB       ASN 542  11.337   8.006   3.765
  154   2HB   ASN 542          1HB       ASN 542   9.645   8.491   3.792
  155   1HD2  ASN 542          1HD2      ASN 542   9.564   8.972   1.632
  156   2HD2  ASN 542          2HD2      ASN 542  10.368  10.336   0.942
  157    H    GLY 543           H        GLY 543   8.415   9.273   5.949
  158   1HA   GLY 543          2HA       GLY 543   7.471  11.330   7.154
  159   2HA   GLY 543          1HA       GLY 543   7.961  12.172   5.693
  160    H    ARG 544           H        ARG 544   7.114   9.423   4.359
  161    HA   ARG 544           HA       ARG 544   4.224   9.963   4.390
  162   1HB   ARG 544          2HB       ARG 544   4.083   9.816   2.005
  163   2HB   ARG 544          1HB       ARG 544   5.322  11.000   2.395
  164   1HG   ARG 544          2HG       ARG 544   6.666   8.562   2.191
  165   2HG   ARG 544          1HG       ARG 544   5.521   8.586   0.850
  166   1HD   ARG 544          2HD       ARG 544   7.599  10.668   1.509
  167   2HD   ARG 544          1HD       ARG 544   7.593   9.569   0.130
  168    HE   ARG 544           HE       ARG 544   5.242  11.016  -0.015
  169   1HH1  ARG 544          1HH1      ARG 544   8.660  11.679  -0.068
  170   2HH1  ARG 544          2HH1      ARG 544   8.506  13.077  -1.080
  171   1HH2  ARG 544          1HH2      ARG 544   5.026  12.855  -1.347
  172   2HH2  ARG 544          2HH2      ARG 544   6.439  13.745  -1.807
  173    H    THR 545           H        THR 545   2.894   8.205   3.627
  174    HA   THR 545           HA       THR 545   3.909   5.654   4.533
  175    HB   THR 545           HB       THR 545   1.414   5.093   3.593
  176    HG1  THR 545           1HG      THR 545   0.948   7.234   3.041
  177   1HG2  THR 545          1HG2      THR 545   0.669   5.404   5.949
  178   2HG2  THR 545          2HG2      THR 545   2.196   6.223   6.283
  179   3HG2  THR 545          3HG2      THR 545   2.192   4.524   5.805
  180    H    PHE 546           H        PHE 546   4.025   3.773   3.300
  181    HA   PHE 546           HA       PHE 546   4.012   4.219   0.395
  182   1HB   PHE 546          2HB       PHE 546   5.792   2.396   0.373
  183   2HB   PHE 546          1HB       PHE 546   6.276   3.968   0.998
  184    HD1  PHE 546           1HD      PHE 546   6.143   0.482   1.622
  185    HD2  PHE 546           2HD      PHE 546   6.206   4.275   3.554
  186    HE1  PHE 546           1HE      PHE 546   6.905  -0.595   3.697
  187    HE2  PHE 546           2HE      PHE 546   6.968   3.201   5.635
  188    HZ   PHE 546           HZ       PHE 546   7.320   0.766   5.708
  189    H    PHE 547           H        PHE 547   4.197   1.847  -0.666
  190    HA   PHE 547           HA       PHE 547   1.963   0.290   0.450
  191   1HB   PHE 547          2HB       PHE 547   2.463   1.304  -2.247
  192   2HB   PHE 547          1HB       PHE 547   2.108  -0.419  -2.216
  193    HD1  PHE 547           1HD      PHE 547  -0.088  -1.026  -2.435
  194    HD2  PHE 547           2HD      PHE 547   0.836   2.733  -0.669
  195    HE1  PHE 547           1HE      PHE 547  -2.490  -0.528  -2.250
  196    HE2  PHE 547           2HE      PHE 547  -1.563   3.239  -0.480
  197    HZ   PHE 547           HZ       PHE 547  -3.231   1.608  -1.270
  198    H    ILE 548           H        ILE 548   2.260  -1.806   0.813
  199    HA   ILE 548           HA       ILE 548   4.932  -2.865   0.325
  200    HB   ILE 548           HB       ILE 548   2.661  -3.830   2.049
  201   1HG1  ILE 548          2HG1      ILE 548   4.802  -3.397   3.674
  202   2HG1  ILE 548          1HG1      ILE 548   5.047  -2.156   2.451
  203   1HG2  ILE 548          1HG2      ILE 548   4.745  -5.275   2.927
  204   2HG2  ILE 548          2HG2      ILE 548   5.163  -5.169   1.217
  205   3HG2  ILE 548          3HG2      ILE 548   3.616  -5.861   1.705
  206   1HD1  ILE 548          1HD1      ILE 548   3.369  -2.058   4.679
  207   2HD1  ILE 548          2HD1      ILE 548   2.303  -2.204   3.282
  208   3HD1  ILE 548          3HD1      ILE 548   3.477  -0.891   3.360
  209    H    ASP 549           H        ASP 549   5.358  -4.553  -0.976
  210    HA   ASP 549           HA       ASP 549   3.094  -5.710  -2.464
  211   1HB   ASP 549          2HB       ASP 549   4.468  -4.354  -3.922
  212   2HB   ASP 549          1HB       ASP 549   5.928  -5.170  -3.372
  213    H    HIS 550           H        HIS 550   2.695  -7.719  -1.833
  214    HA   HIS 550           HA       HIS 550   4.785  -9.358  -0.663
  215   1HB   HIS 550          2HB       HIS 550   1.883 -10.052  -1.168
  216   2HB   HIS 550          1HB       HIS 550   3.007 -10.925  -0.134
  217    HD2  HIS 550           2HD      HIS 550   2.031  -7.090  -0.119
  218    HE1  HIS 550           1HE      HIS 550   1.568  -8.757   3.743
  219    HE2  HIS 550           2HE      HIS 550   1.245  -6.686   2.319
  220    H    ALA 551           H        ALA 551   3.051  -9.048  -3.651
  221    HA   ALA 551           HA       ALA 551   3.378 -11.572  -4.763
  222   1HB   ALA 551          1HB       ALA 551   2.308  -9.232  -5.617
  223   2HB   ALA 551          2HB       ALA 551   2.564 -10.644  -6.642
  224   3HB   ALA 551          3HB       ALA 551   3.747  -9.335  -6.631
  225    H    SER 552           H        SER 552   5.711  -9.074  -4.195
  226    HA   SER 552           HA       SER 552   7.803 -10.829  -5.232
  227   1HB   SER 552          2HB       SER 552   6.946  -8.470  -6.576
  228   2HB   SER 552          1HB       SER 552   8.548  -8.159  -5.909
  229    HG   SER 552           HG       SER 552   7.788  -9.815  -7.955
  230    H    ARG 553           H        ARG 553   6.725  -9.568  -2.593
  231    HA   ARG 553           HA       ARG 553   7.561  -8.724  -0.647
  232   1HB   ARG 553          2HB       ARG 553   9.818 -10.357  -1.762
  233   2HB   ARG 553          1HB       ARG 553  10.013  -9.495  -0.242
  234   1HG   ARG 553          2HG       ARG 553   9.359 -11.633   0.395
  235   2HG   ARG 553          1HG       ARG 553   7.873 -10.686   0.496
  236   1HD   ARG 553          2HD       ARG 553   6.968 -11.660  -1.395
  237   2HD   ARG 553          1HD       ARG 553   8.544 -12.127  -2.033
  238    HE   ARG 553           HE       ARG 553   8.172 -13.554   0.315
  239   1HH1  ARG 553          1HH1      ARG 553   6.655 -13.278  -2.808
  240   2HH1  ARG 553          2HH1      ARG 553   6.088 -14.915  -2.821
  241   1HH2  ARG 553          1HH2      ARG 553   7.429 -15.713   0.307
  242   2HH2  ARG 553          2HH2      ARG 553   6.527 -16.300  -1.050
  243    H    ARG 554           H        ARG 554   7.341  -6.555  -1.691
  244    HA   ARG 554           HA       ARG 554   9.822  -5.104  -1.366
  245   1HB   ARG 554          2HB       ARG 554   8.352  -4.537  -3.907
  246   2HB   ARG 554          1HB       ARG 554  10.030  -4.212  -3.496
  247   1HG   ARG 554          2HG       ARG 554  10.562  -6.570  -3.702
  248   2HG   ARG 554          1HG       ARG 554   8.870  -6.937  -4.044
  249   1HD   ARG 554          2HD       ARG 554   9.039  -6.281  -6.182
  250   2HD   ARG 554          1HD       ARG 554  10.008  -4.869  -5.769
  251    HE   ARG 554           HE       ARG 554  10.968  -7.460  -6.585
  252   1HH1  ARG 554          1HH1      ARG 554  11.735  -4.483  -4.950
  253   2HH1  ARG 554          2HH1      ARG 554  13.443  -4.640  -5.188
  254   1HH2  ARG 554          1HH2      ARG 554  13.217  -7.676  -6.907
  255   2HH2  ARG 554          2HH2      ARG 554  14.285  -6.456  -6.301
  256    H    THR 555           H        THR 555   9.076  -2.666  -2.365
  257    HA   THR 555           HA       THR 555   6.438  -2.009  -1.353
  258    HB   THR 555           HB       THR 555   7.241  -0.277   0.190
  259    HG1  THR 555           1HG      THR 555   9.565  -0.481   0.768
  260   1HG2  THR 555          1HG2      THR 555   6.843  -2.722   0.882
  261   2HG2  THR 555          2HG2      THR 555   7.740  -1.690   1.995
  262   3HG2  THR 555          3HG2      THR 555   8.600  -2.842   0.974
  263    H    THR 556           H        THR 556   6.052   0.432  -1.592
  264    HA   THR 556           HA       THR 556   7.697   1.840  -3.471
  265    HB   THR 556           HB       THR 556   6.681   0.497  -5.139
  266    HG1  THR 556           1HG      THR 556   5.575   2.065  -6.308
  267   1HG2  THR 556          1HG2      THR 556   3.918   0.910  -4.949
  268   2HG2  THR 556          2HG2      THR 556   4.446   0.485  -3.322
  269   3HG2  THR 556          3HG2      THR 556   4.794  -0.594  -4.673
  270    H    TRP 557           H        TRP 557   6.771   3.951  -4.052
  271    HA   TRP 557           HA       TRP 557   5.415   5.088  -1.758
  272   1HB   TRP 557          2HB       TRP 557   6.783   6.251  -4.171
  273   2HB   TRP 557          1HB       TRP 557   5.869   7.256  -3.050
  274    HD1  TRP 557           HD       TRP 557   9.264   6.623  -3.669
  275    HE1  TRP 557           1HE      TRP 557  10.720   6.694  -1.549
  276    HE3  TRP 557           3HE      TRP 557   5.585   6.188  -0.171
  277    HZ2  TRP 557           2HZ      TRP 557  10.349   6.586   1.253
  278    HZ3  TRP 557           3HZ      TRP 557   6.211   6.180   2.215
  279    HH2  TRP 557           HH       TRP 557   8.544   6.375   2.907
  280    H    ILE 558           H        ILE 558   4.608   4.093  -4.941
  281    HA   ILE 558           HA       ILE 558   2.118   5.653  -4.844
  282    HB   ILE 558           HB       ILE 558   3.225   4.242  -7.259
  283   1HG1  ILE 558          2HG1      ILE 558   4.787   5.996  -6.213
  284   2HG1  ILE 558          1HG1      ILE 558   4.372   6.201  -7.914
  285   1HG2  ILE 558          1HG2      ILE 558   1.815   6.017  -8.401
  286   2HG2  ILE 558          2HG2      ILE 558   1.112   6.331  -6.815
  287   3HG2  ILE 558          3HG2      ILE 558   0.944   4.739  -7.554
  288   1HD1  ILE 558          1HD1      ILE 558   2.454   7.601  -6.361
  289   2HD1  ILE 558          2HD1      ILE 558   3.655   8.244  -7.483
  290   3HD1  ILE 558          3HD1      ILE 558   4.065   8.027  -5.781
  291    H    ASP 559           H        ASP 559   0.164   4.677  -4.920
  292    HA   ASP 559           HA       ASP 559   0.020   1.934  -4.152
  293   1HB   ASP 559          2HB       ASP 559  -2.344   3.579  -5.008
  294   2HB   ASP 559          1HB       ASP 559  -2.273   2.299  -3.801
  295    HA   PRO 560           HA       PRO 560  -0.547   0.294  -8.241
  296   1HB   PRO 560          2HB       PRO 560  -1.115  -2.272  -7.502
  297   2HB   PRO 560          1HB       PRO 560   0.510  -1.586  -7.504
  298   1HG   PRO 560          2HG       PRO 560  -1.183  -2.315  -5.238
  299   2HG   PRO 560          1HG       PRO 560   0.547  -1.956  -5.284
  300   1HD   PRO 560          2HD       PRO 560  -1.617  -0.248  -4.440
  301   2HD   PRO 560          1HD       PRO 560   0.128   0.050  -4.372
  302    H    ARG 561           H        ARG 561  -2.997   0.169  -5.791
  303    HA   ARG 561           HA       ARG 561  -5.084  -1.134  -7.001
  304   1HB   ARG 561          2HB       ARG 561  -6.568   0.403  -5.713
  305   2HB   ARG 561          1HB       ARG 561  -5.289  -0.323  -4.754
  306   1HG   ARG 561          2HG       ARG 561  -4.227   1.649  -4.413
  307   2HG   ARG 561          1HG       ARG 561  -4.734   2.319  -5.964
  308   1HD   ARG 561          2HD       ARG 561  -6.265   3.488  -4.855
  309   2HD   ARG 561          1HD       ARG 561  -7.096   1.966  -4.538
  310    HE   ARG 561           HE       ARG 561  -5.292   2.052  -2.552
  311   1HH1  ARG 561          1HH1      ARG 561  -7.570   4.405  -3.742
  312   2HH1  ARG 561          2HH1      ARG 561  -7.778   5.171  -2.203
  313   1HH2  ARG 561          1HH2      ARG 561  -5.564   3.053  -0.520
  314   2HH2  ARG 561          2HH2      ARG 561  -6.638   4.402  -0.373
  315    H    ASN 562           H        ASN 562  -3.705   1.945  -7.824
  316    HA   ASN 562           HA       ASN 562  -5.217   2.023 -10.268
  317   1HB   ASN 562          2HB       ASN 562  -5.743   4.597  -9.549
  318   2HB   ASN 562          1HB       ASN 562  -6.903   3.280  -9.433
  319   1HD2  ASN 562          1HD2      ASN 562  -4.433   5.027  -7.612
  320   2HD2  ASN 562          2HD2      ASN 562  -5.168   4.809  -6.064
  321    H    GLY 563           H        GLY 563  -3.039   3.761  -8.076
  322   1HA   GLY 563          2HA       GLY 563  -0.753   4.056  -9.063
  323   2HA   GLY 563          1HA       GLY 563  -1.582   4.723 -10.460
  324    H    ARG 564           H        ARG 564  -1.885   5.237  -6.943
  325    HA   ARG 564           HA       ARG 564  -1.287   8.081  -7.394
  326   1HB   ARG 564          2HB       ARG 564  -3.665   6.870  -6.043
  327   2HB   ARG 564          1HB       ARG 564  -3.032   8.397  -5.443
  328   1HG   ARG 564          2HG       ARG 564  -3.612   9.545  -7.344
  329   2HG   ARG 564          1HG       ARG 564  -3.578   8.099  -8.356
  330   1HD   ARG 564          2HD       ARG 564  -5.670   7.397  -7.644
  331   2HD   ARG 564          1HD       ARG 564  -5.601   8.359  -6.168
  332    HE   ARG 564           HE       ARG 564  -6.665   9.171  -8.654
  333   1HH1  ARG 564          1HH1      ARG 564  -4.772  10.361  -5.984
  334   2HH1  ARG 564          2HH1      ARG 564  -5.275  12.007  -6.193
  335   1HH2  ARG 564          1HH2      ARG 564  -7.332  11.335  -8.938
  336   2HH2  ARG 564          2HH2      ARG 564  -6.730  12.559  -7.871
  337    H    ALA 565           H        ALA 565  -0.061   9.064  -5.847
  338    HA   ALA 565           HA       ALA 565   1.523   7.449  -4.164
  339   1HB   ALA 565          1HB       ALA 565   2.724   9.339  -3.718
  340   2HB   ALA 565          2HB       ALA 565   1.292  10.363  -3.622
  341   3HB   ALA 565          3HB       ALA 565   1.907   9.852  -5.193
  342    H    SER 566           H        SER 566   1.279   6.800  -2.120
  343    HA   SER 566           HA       SER 566  -1.169   6.982  -0.784
  344   1HB   SER 566          2HB       SER 566   1.125   5.509  -0.457
  345   2HB   SER 566          1HB       SER 566   1.152   6.551   0.966
  346    HG   SER 566           HG       SER 566  -0.488   5.496   1.759
  347   1H    THR 227          1HT       THR 227  16.217  10.035   0.715
  348   2H    THR 227          2HT       THR 227  16.074  10.029  -0.970
  349   3H    THR 227          3HT       THR 227  16.650   8.657  -0.166
  350    HA   THR 227           HA       THR 227  13.961   9.741   0.362
  351    HB   THR 227           HB       THR 227  14.087   9.291  -2.048
  352    HG1  THR 227           1HG      THR 227  12.100   8.737  -1.466
  353   1HG2  THR 227          1HG2      THR 227  15.886   7.371  -1.467
  354   2HG2  THR 227          2HG2      THR 227  14.982   7.429  -2.979
  355   3HG2  THR 227          3HG2      THR 227  14.439   6.383  -1.668
  356    H    GLY 228           H        GLY 228  12.533   7.648   0.741
  357   1HA   GLY 228          2HA       GLY 228  14.073   5.902   2.565
  358   2HA   GLY 228          1HA       GLY 228  12.454   6.482   2.928
  359    H    LEU 229           H        LEU 229  10.846   5.126   2.528
  360    HA   LEU 229           HA       LEU 229   9.595   3.456   1.616
  361   1HB   LEU 229          2HB       LEU 229  10.344   4.506  -0.546
  362   2HB   LEU 229          1HB       LEU 229  11.642   3.331  -0.593
  363    HG   LEU 229           HG       LEU 229   9.815   1.544  -0.496
  364   1HD1  LEU 229          1HD1      LEU 229   7.622   2.075  -0.855
  365   2HD1  LEU 229          2HD1      LEU 229   8.005   3.604  -1.648
  366   3HD1  LEU 229          3HD1      LEU 229   8.121   3.466   0.108
  367   1HD2  LEU 229          1HD2      LEU 229  11.176   2.331  -2.508
  368   2HD2  LEU 229          2HD2      LEU 229   9.737   3.237  -2.973
  369   3HD2  LEU 229          3HD2      LEU 229   9.666   1.480  -2.832
  370    HA   PRO 230           HA       PRO 230  12.646   0.503   3.560
  371   1HB   PRO 230          2HB       PRO 230  10.213  -0.212   5.076
  372   2HB   PRO 230          1HB       PRO 230  11.836   0.156   5.666
  373   1HG   PRO 230          2HG       PRO 230   9.815   1.879   5.995
  374   2HG   PRO 230          1HG       PRO 230  11.466   2.438   5.665
  375   1HD   PRO 230          2HD       PRO 230   9.126   2.229   3.807
  376   2HD   PRO 230          1HD       PRO 230  10.358   3.503   3.931
  377    H    SER 231           H        SER 231  12.925  -1.102   2.131
  378    HA   SER 231           HA       SER 231  10.963  -2.323   0.586
  379   1HB   SER 231          2HB       SER 231  13.186  -4.110   1.213
  380   2HB   SER 231          1HB       SER 231  12.708  -3.410  -0.332
  381    HG   SER 231           HG       SER 231  14.524  -2.351  -0.018
  382    H    TYR 232           H        TYR 232  10.278  -4.599   0.632
  383    HA   TYR 232           HA       TYR 232   8.851  -5.231   2.925
  384   1HB   TYR 232          2HB       TYR 232   8.514  -6.116   0.561
  385   2HB   TYR 232          1HB       TYR 232   9.789  -7.278   0.916
  386    HD1  TYR 232           1HD      TYR 232   9.423  -8.668   3.135
  387    HD2  TYR 232           2HD      TYR 232   6.325  -6.726   0.960
  388    HE1  TYR 232           1HE      TYR 232   7.770 -10.170   4.163
  389    HE2  TYR 232           2HE      TYR 232   4.661  -8.222   1.982
  390    HH   TYR 232           HH       TYR 232   4.416 -10.186   3.139
  391    H    ASP 233           H        ASP 233  10.115  -5.191   4.772
  392    HA   ASP 233           HA       ASP 233  11.168  -7.560   5.709
  393   1HB   ASP 233          2HB       ASP 233  13.017  -6.192   3.990
  394   2HB   ASP 233          1HB       ASP 233  13.653  -6.207   5.633
  395    H    GLU 234           H        GLU 234  12.489  -4.250   5.882
  396    HA   GLU 234           HA       GLU 234  12.633  -4.258   8.708
  397   1HB   GLU 234          2HB       GLU 234  12.476  -1.729   7.105
  398   2HB   GLU 234          1HB       GLU 234  13.433  -2.074   8.539
  399   1HG   GLU 234          2HG       GLU 234  14.540  -3.833   6.871
  400   2HG   GLU 234          1HG       GLU 234  14.000  -2.636   5.696
  401    H    ALA 235           H        ALA 235  10.175  -3.241   6.432
  402    HA   ALA 235           HA       ALA 235   8.545  -2.141   8.603
  403   1HB   ALA 235          1HB       ALA 235   7.013  -1.668   6.500
  404   2HB   ALA 235          2HB       ALA 235   8.543  -1.860   5.644
  405   3HB   ALA 235          3HB       ALA 235   8.382  -0.631   6.900
  406    H    LEU 236           H        LEU 236   8.180  -4.257   9.549
  407    HA   LEU 236           HA       LEU 236   5.819  -5.509   8.415
  408   1HB   LEU 236          2HB       LEU 236   8.474  -6.785   8.499
  409   2HB   LEU 236          1HB       LEU 236   7.159  -7.763   9.122
  410    HG   LEU 236           HG       LEU 236   6.609  -6.485   6.530
  411   1HD1  LEU 236          1HD1      LEU 236   8.460  -7.094   5.474
  412   2HD1  LEU 236          2HD1      LEU 236   8.067  -8.774   5.837
  413   3HD1  LEU 236          3HD1      LEU 236   9.098  -7.852   6.932
  414   1HD2  LEU 236          1HD2      LEU 236   4.985  -7.990   7.042
  415   2HD2  LEU 236          2HD2      LEU 236   6.078  -9.030   7.954
  416   3HD2  LEU 236          3HD2      LEU 236   6.087  -9.070   6.191
  417    H    HIS 237           H        HIS 237   6.611  -3.917  10.802
  418    HA   HIS 237           HA       HIS 237   5.614  -5.794  12.839
  419   1HB   HIS 237          2HB       HIS 237   7.546  -3.549  13.423
  420   2HB   HIS 237          1HB       HIS 237   7.031  -4.835  14.509
  421    HD1  HIS 237           1HD      HIS 237   7.779  -7.346  13.584
  422    HD2  HIS 237           2HD      HIS 237   9.924  -4.048  12.244
  423    HE1  HIS 237           1HE      HIS 237   9.960  -8.263  12.733
  424    HE2  HIS 237           2HE      HIS 237  11.204  -6.260  11.844
  Start of MODEL   10
    1   1H    GLY 521          1HT       GLY 521 -16.060  -8.936  -9.109
    2   2H    GLY 521          2HT       GLY 521 -16.323  -9.860 -10.502
    3   3H    GLY 521          3HT       GLY 521 -15.745 -10.599  -9.094
    4   1HA   GLY 521          2HA       GLY 521 -17.779 -10.331  -7.967
    5   2HA   GLY 521          1HA       GLY 521 -18.151 -10.990  -9.552
    6    HA   PRO 522           HA       PRO 522 -21.015  -7.678 -10.097
    7   1HB   PRO 522          2HB       PRO 522 -22.881  -7.831  -8.132
    8   2HB   PRO 522          1HB       PRO 522 -22.777  -9.006  -9.448
    9   1HG   PRO 522          2HG       PRO 522 -21.757  -9.209  -6.641
   10   2HG   PRO 522          1HG       PRO 522 -22.598 -10.428  -7.617
   11   1HD   PRO 522          2HD       PRO 522 -19.912 -10.437  -7.271
   12   2HD   PRO 522          1HD       PRO 522 -20.685 -11.015  -8.760
   13    H    LEU 523           H        LEU 523 -20.134  -7.858  -6.657
   14    HA   LEU 523           HA       LEU 523 -19.673  -4.966  -6.683
   15   1HB   LEU 523          2HB       LEU 523 -21.025  -6.227  -4.325
   16   2HB   LEU 523          1HB       LEU 523 -20.934  -4.533  -4.766
   17    HG   LEU 523           HG       LEU 523 -22.324  -5.580  -6.878
   18   1HD1  LEU 523          1HD1      LEU 523 -23.717  -7.271  -6.287
   19   2HD1  LEU 523          2HD1      LEU 523 -23.721  -6.820  -4.582
   20   3HD1  LEU 523          3HD1      LEU 523 -22.347  -7.691  -5.260
   21   1HD2  LEU 523          1HD2      LEU 523 -24.317  -4.805  -5.196
   22   2HD2  LEU 523          2HD2      LEU 523 -23.318  -3.707  -6.150
   23   3HD2  LEU 523          3HD2      LEU 523 -22.913  -4.029  -4.463
   24    H    GLY 524           H        GLY 524 -18.173  -4.229  -5.113
   25   1HA   GLY 524          2HA       GLY 524 -16.983  -5.696  -3.096
   26   2HA   GLY 524          1HA       GLY 524 -16.089  -6.090  -4.557
   27    H    SER 525           H        SER 525 -15.690  -3.910  -5.903
   28    HA   SER 525           HA       SER 525 -13.945  -2.362  -4.232
   29   1HB   SER 525          2HB       SER 525 -14.653  -1.944  -7.145
   30   2HB   SER 525          1HB       SER 525 -13.277  -1.245  -6.291
   31    HG   SER 525           HG       SER 525 -12.516  -3.026  -7.342
   32    H    GLY 526           H        GLY 526 -14.190  -0.314  -3.492
   33   1HA   GLY 526          2HA       GLY 526 -15.672   1.764  -4.354
   34   2HA   GLY 526          1HA       GLY 526 -16.872   0.779  -3.532
   35    H    GLU 527           H        GLU 527 -15.244   3.445  -3.079
   36    HA   GLU 527           HA       GLU 527 -14.778   4.697  -1.233
   37   1HB   GLU 527          2HB       GLU 527 -16.690   3.121  -0.298
   38   2HB   GLU 527          1HB       GLU 527 -15.363   2.446   0.636
   39   1HG   GLU 527          2HG       GLU 527 -16.447   5.240   0.685
   40   2HG   GLU 527          1HG       GLU 527 -16.343   4.075   2.005
   41    H    GLU 528           H        GLU 528 -12.586   4.243  -2.203
   42    HA   GLU 528           HA       GLU 528 -10.352   3.999  -1.821
   43   1HB   GLU 528          2HB       GLU 528 -11.112   4.714   0.542
   44   2HB   GLU 528          1HB       GLU 528 -10.945   3.014   0.956
   45   1HG   GLU 528          2HG       GLU 528  -8.588   3.783  -0.393
   46   2HG   GLU 528          1HG       GLU 528  -8.944   5.025   0.806
   47    H    GLU 529           H        GLU 529  -9.194   2.401  -2.669
   48    HA   GLU 529           HA       GLU 529 -10.175  -0.260  -2.774
   49   1HB   GLU 529          2HB       GLU 529  -8.517   1.138  -4.346
   50   2HB   GLU 529          1HB       GLU 529  -7.319   0.270  -3.395
   51   1HG   GLU 529          2HG       GLU 529  -7.681  -1.049  -5.289
   52   2HG   GLU 529          1HG       GLU 529  -8.581  -1.843  -3.997
   53    HA   PRO 530           HA       PRO 530  -8.277  -1.609   1.038
   54   1HB   PRO 530          2HB       PRO 530  -9.136  -4.141   1.022
   55   2HB   PRO 530          1HB       PRO 530 -10.249  -2.792   1.286
   56   1HG   PRO 530          2HG       PRO 530  -9.767  -4.399  -1.186
   57   2HG   PRO 530          1HG       PRO 530 -11.295  -3.792  -0.525
   58   1HD   PRO 530          2HD       PRO 530  -9.882  -2.598  -2.578
   59   2HD   PRO 530          1HD       PRO 530 -11.055  -1.765  -1.541
   60    H    LEU 531           H        LEU 531  -6.409  -1.418  -1.020
   61    HA   LEU 531           HA       LEU 531  -4.404  -2.251  -1.707
   62   1HB   LEU 531          2HB       LEU 531  -4.516  -4.423   0.329
   63   2HB   LEU 531          1HB       LEU 531  -3.162  -3.427  -0.167
   64    HG   LEU 531           HG       LEU 531  -5.420  -2.158   1.324
   65   1HD1  LEU 531          1HD1      LEU 531  -5.146  -3.513   3.066
   66   2HD1  LEU 531          2HD1      LEU 531  -3.541  -2.805   3.249
   67   3HD1  LEU 531          3HD1      LEU 531  -3.748  -4.297   2.331
   68   1HD2  LEU 531          1HD2      LEU 531  -2.471  -1.686   0.996
   69   2HD2  LEU 531          2HD2      LEU 531  -3.422  -0.883   2.245
   70   3HD2  LEU 531          3HD2      LEU 531  -3.810  -0.631   0.543
   71    HA   PRO 532           HA       PRO 532  -6.046  -5.278  -4.639
   72   1HB   PRO 532          2HB       PRO 532  -3.136  -5.158  -5.359
   73   2HB   PRO 532          1HB       PRO 532  -4.554  -5.137  -6.415
   74   1HG   PRO 532          2HG       PRO 532  -3.298  -2.887  -5.915
   75   2HG   PRO 532          1HG       PRO 532  -5.069  -2.927  -5.906
   76   1HD   PRO 532          2HD       PRO 532  -3.166  -2.835  -3.605
   77   2HD   PRO 532          1HD       PRO 532  -4.748  -2.051  -3.795
   78    HA   PRO 533           HA       PRO 533  -5.183  -9.488  -3.642
   79   1HB   PRO 533          2HB       PRO 533  -3.086  -9.516  -5.769
   80   2HB   PRO 533          1HB       PRO 533  -4.282 -10.755  -5.364
   81   1HG   PRO 533          2HG       PRO 533  -4.683  -9.075  -7.397
   82   2HG   PRO 533          1HG       PRO 533  -6.021  -9.589  -6.354
   83   1HD   PRO 533          2HD       PRO 533  -4.690  -6.974  -6.550
   84   2HD   PRO 533          1HD       PRO 533  -6.302  -7.365  -5.929
   85    H    ARG 534           H        ARG 534  -2.030  -8.335  -4.672
   86    HA   ARG 534           HA       ARG 534  -0.964  -9.187  -2.061
   87   1HB   ARG 534          2HB       ARG 534   0.335  -9.193  -4.787
   88   2HB   ARG 534          1HB       ARG 534   1.233  -9.426  -3.293
   89   1HG   ARG 534          2HG       ARG 534  -1.121 -11.164  -3.815
   90   2HG   ARG 534          1HG       ARG 534   0.372 -11.464  -4.708
   91   1HD   ARG 534          2HD       ARG 534   1.603 -11.746  -2.668
   92   2HD   ARG 534          1HD       ARG 534   0.211 -11.250  -1.707
   93    HE   ARG 534           HE       ARG 534  -0.613 -13.375  -1.878
   94   1HH1  ARG 534          1HH1      ARG 534   1.836 -12.911  -4.310
   95   2HH1  ARG 534          2HH1      ARG 534   1.845 -14.572  -4.803
   96   1HH2  ARG 534          1HH2      ARG 534  -0.608 -15.564  -2.518
   97   2HH2  ARG 534          2HH2      ARG 534   0.455 -16.081  -3.784
   98    H    TRP 535           H        TRP 535  -1.685  -6.978  -1.444
   99    HA   TRP 535           HA       TRP 535   0.569  -5.205  -1.592
  100   1HB   TRP 535          2HB       TRP 535  -2.046  -4.540  -2.907
  101   2HB   TRP 535          1HB       TRP 535  -0.954  -3.280  -2.336
  102    HD1  TRP 535           HD       TRP 535  -1.354  -5.857  -5.095
  103    HE1  TRP 535           1HE      TRP 535   0.487  -5.493  -6.852
  104    HE3  TRP 535           3HE      TRP 535   1.489  -2.455  -2.577
  105    HZ2  TRP 535           2HZ      TRP 535   2.843  -3.951  -7.133
  106    HZ3  TRP 535           3HZ      TRP 535   3.524  -1.580  -3.651
  107    HH2  TRP 535           HH       TRP 535   4.186  -2.317  -5.884
  108    H    SER 536           H        SER 536   0.542  -3.542  -0.062
  109    HA   SER 536           HA       SER 536  -1.689  -3.389   1.797
  110   1HB   SER 536          2HB       SER 536   0.999  -4.527   2.456
  111   2HB   SER 536          1HB       SER 536   0.157  -3.581   3.680
  112    HG   SER 536           HG       SER 536  -1.625  -5.017   3.421
  113    H    MET 537           H        MET 537  -0.688  -1.848   3.741
  114    HA   MET 537           HA       MET 537   0.836   0.314   2.507
  115   1HB   MET 537          2HB       MET 537  -2.011   0.455   3.353
  116   2HB   MET 537          1HB       MET 537  -0.989   1.844   3.697
  117   1HG   MET 537          2HG       MET 537  -0.459   1.135   1.042
  118   2HG   MET 537          1HG       MET 537  -2.210   1.046   1.234
  119   1HE   MET 537          1HE       MET 537  -2.803   3.273   3.445
  120   2HE   MET 537          2HE       MET 537  -3.726   3.009   1.967
  121   3HE   MET 537          3HE       MET 537  -3.158   4.628   2.375
  122    H    GLN 538           H        GLN 538   2.296   1.109   3.863
  123    HA   GLN 538           HA       GLN 538   1.800   1.008   6.747
  124   1HB   GLN 538          2HB       GLN 538   3.475  -0.814   5.436
  125   2HB   GLN 538          1HB       GLN 538   4.562   0.361   6.164
  126   1HG   GLN 538          2HG       GLN 538   3.255  -0.007   8.316
  127   2HG   GLN 538          1HG       GLN 538   2.556  -1.412   7.513
  128   1HE2  GLN 538          1HE2      GLN 538   4.178  -1.404   9.863
  129   2HE2  GLN 538          2HE2      GLN 538   5.602  -2.316   9.506
  130    H    VAL 539           H        VAL 539   2.793   2.623   7.922
  131    HA   VAL 539           HA       VAL 539   3.774   4.865   6.354
  132    HB   VAL 539           HB       VAL 539   2.114   5.375   8.029
  133   1HG1  VAL 539          1HG1      VAL 539   2.074   3.967   9.777
  134   2HG1  VAL 539          2HG1      VAL 539   3.181   5.128  10.508
  135   3HG1  VAL 539          3HG1      VAL 539   3.812   3.683   9.722
  136   1HG2  VAL 539          1HG2      VAL 539   3.950   7.007   7.595
  137   2HG2  VAL 539          2HG2      VAL 539   4.771   6.387   9.028
  138   3HG2  VAL 539          3HG2      VAL 539   3.199   7.171   9.183
  139    H    ALA 540           H        ALA 540   5.844   5.458   6.202
  140    HA   ALA 540           HA       ALA 540   7.817   3.989   7.805
  141   1HB   ALA 540          1HB       ALA 540   9.010   5.546   5.720
  142   2HB   ALA 540          2HB       ALA 540   7.674   4.600   5.065
  143   3HB   ALA 540          3HB       ALA 540   8.984   3.794   5.928
  144    HA   PRO 541           HA       PRO 541   9.290   7.618   9.841
  145   1HB   PRO 541          2HB       PRO 541  11.973   7.447   9.741
  146   2HB   PRO 541          1HB       PRO 541  10.998   6.296  10.662
  147   1HG   PRO 541          2HG       PRO 541  12.238   5.990   7.957
  148   2HG   PRO 541          1HG       PRO 541  12.153   4.823   9.289
  149   1HD   PRO 541          2HD       PRO 541  10.471   4.796   7.125
  150   2HD   PRO 541          1HD       PRO 541  10.040   4.147   8.720
  151    H    ASN 542           H        ASN 542  10.357   7.146   6.567
  152    HA   ASN 542           HA       ASN 542  11.786   9.430   6.016
  153   1HB   ASN 542          2HB       ASN 542  11.345   7.581   4.411
  154   2HB   ASN 542          1HB       ASN 542   9.700   8.178   4.217
  155   1HD2  ASN 542          1HD2      ASN 542   9.978   8.554   2.035
  156   2HD2  ASN 542          2HD2      ASN 542  10.935   9.858   1.433
  157    H    GLY 543           H        GLY 543   8.276   9.041   6.225
  158   1HA   GLY 543          2HA       GLY 543   7.314  11.182   7.271
  159   2HA   GLY 543          1HA       GLY 543   7.981  11.945   5.837
  160    H    ARG 544           H        ARG 544   7.166   9.217   4.481
  161    HA   ARG 544           HA       ARG 544   4.305   9.839   4.249
  162   1HB   ARG 544          2HB       ARG 544   4.331   9.936   1.933
  163   2HB   ARG 544          1HB       ARG 544   5.830  10.746   2.353
  164   1HG   ARG 544          2HG       ARG 544   7.057   8.655   1.888
  165   2HG   ARG 544          1HG       ARG 544   5.535   7.903   1.407
  166   1HD   ARG 544          2HD       ARG 544   6.627   8.606  -0.582
  167   2HD   ARG 544          1HD       ARG 544   5.290   9.721  -0.303
  168    HE   ARG 544           HE       ARG 544   7.485  10.882   0.882
  169   1HH1  ARG 544          1HH1      ARG 544   6.605   9.818  -2.315
  170   2HH1  ARG 544          2HH1      ARG 544   7.591  10.994  -3.119
  171   1HH2  ARG 544          1HH2      ARG 544   8.788  12.435  -0.167
  172   2HH2  ARG 544          2HH2      ARG 544   8.833  12.481  -1.898
  173    H    THR 545           H        THR 545   2.976   8.108   3.431
  174    HA   THR 545           HA       THR 545   3.808   5.557   4.488
  175    HB   THR 545           HB       THR 545   1.455   4.940   3.402
  176    HG1  THR 545           1HG      THR 545   0.377   6.638   2.755
  177   1HG2  THR 545          1HG2      THR 545   1.858   4.774   5.754
  178   2HG2  THR 545          2HG2      THR 545   0.393   5.731   5.538
  179   3HG2  THR 545          3HG2      THR 545   1.918   6.528   5.926
  180    H    PHE 546           H        PHE 546   4.012   3.630   3.353
  181    HA   PHE 546           HA       PHE 546   4.216   3.890   0.429
  182   1HB   PHE 546          2HB       PHE 546   6.110   2.261   0.566
  183   2HB   PHE 546          1HB       PHE 546   6.457   3.827   1.284
  184    HD1  PHE 546           1HD      PHE 546   6.503   0.330   1.775
  185    HD2  PHE 546           2HD      PHE 546   6.086   4.029   3.841
  186    HE1  PHE 546           1HE      PHE 546   7.128  -0.781   3.877
  187    HE2  PHE 546           2HE      PHE 546   6.710   2.919   5.948
  188    HZ   PHE 546           HZ       PHE 546   7.233   0.516   5.969
  189    H    PHE 547           H        PHE 547   3.973   1.877  -0.755
  190    HA   PHE 547           HA       PHE 547   1.984   0.151   0.510
  191   1HB   PHE 547          2HB       PHE 547   2.608   0.986  -2.235
  192   2HB   PHE 547          1HB       PHE 547   2.210  -0.722  -2.086
  193    HD1  PHE 547           1HD      PHE 547  -0.009  -1.416  -1.891
  194    HD2  PHE 547           2HD      PHE 547   0.975   2.680  -1.292
  195    HE1  PHE 547           1HE      PHE 547  -2.404  -0.854  -1.839
  196    HE2  PHE 547           2HE      PHE 547  -1.418   3.250  -1.239
  197    HZ   PHE 547           HZ       PHE 547  -3.110   1.484  -1.512
  198    H    ILE 548           H        ILE 548   2.128  -2.187   0.268
  199    HA   ILE 548           HA       ILE 548   4.913  -3.128   0.037
  200    HB   ILE 548           HB       ILE 548   2.840  -4.097   2.005
  201   1HG1  ILE 548          2HG1      ILE 548   5.308  -2.386   2.277
  202   2HG1  ILE 548          1HG1      ILE 548   3.663  -2.017   2.780
  203   1HG2  ILE 548          1HG2      ILE 548   4.212  -5.933   1.252
  204   2HG2  ILE 548          2HG2      ILE 548   4.667  -5.494   2.900
  205   3HG2  ILE 548          3HG2      ILE 548   5.680  -4.998   1.543
  206   1HD1  ILE 548          1HD1      ILE 548   3.832  -3.761   4.510
  207   2HD1  ILE 548          2HD1      ILE 548   5.020  -2.472   4.707
  208   3HD1  ILE 548          3HD1      ILE 548   5.510  -4.029   4.037
  209    H    ASP 549           H        ASP 549   4.993  -4.231  -1.814
  210    HA   ASP 549           HA       ASP 549   2.751  -5.682  -2.859
  211   1HB   ASP 549          2HB       ASP 549   4.343  -4.614  -4.371
  212   2HB   ASP 549          1HB       ASP 549   5.646  -5.607  -3.736
  213    H    HIS 550           H        HIS 550   2.123  -7.515  -1.932
  214    HA   HIS 550           HA       HIS 550   3.876  -9.192  -0.435
  215   1HB   HIS 550          2HB       HIS 550   1.023  -9.493  -1.358
  216   2HB   HIS 550          1HB       HIS 550   1.853 -10.748  -0.443
  217    HD2  HIS 550           2HD      HIS 550   1.262  -6.875   0.144
  218    HE1  HIS 550           1HE      HIS 550   0.809  -9.016   3.766
  219    HE2  HIS 550           2HE      HIS 550   0.898  -6.715   2.706
  220    H    ALA 551           H        ALA 551   3.169  -8.956  -3.766
  221    HA   ALA 551           HA       ALA 551   3.443 -11.657  -4.536
  222   1HB   ALA 551          1HB       ALA 551   4.445  -9.831  -6.533
  223   2HB   ALA 551          2HB       ALA 551   2.946  -9.235  -5.820
  224   3HB   ALA 551          3HB       ALA 551   2.996 -10.838  -6.554
  225    H    SER 552           H        SER 552   5.797  -8.994  -4.385
  226    HA   SER 552           HA       SER 552   7.943 -11.012  -4.414
  227   1HB   SER 552          2HB       SER 552   7.516  -8.915  -6.252
  228   2HB   SER 552          1HB       SER 552   8.893  -8.432  -5.263
  229    HG   SER 552           HG       SER 552   8.881 -10.145  -7.254
  230    H    ARG 553           H        ARG 553   6.407  -9.442  -2.248
  231    HA   ARG 553           HA       ARG 553   6.830  -8.353  -0.295
  232   1HB   ARG 553          2HB       ARG 553   9.602  -9.412  -0.190
  233   2HB   ARG 553          1HB       ARG 553   8.345  -9.430   1.037
  234   1HG   ARG 553          2HG       ARG 553   8.235 -11.176  -1.404
  235   2HG   ARG 553          1HG       ARG 553   9.046 -11.666   0.085
  236   1HD   ARG 553          2HD       ARG 553   6.592 -10.754   0.957
  237   2HD   ARG 553          1HD       ARG 553   6.209 -11.573  -0.557
  238    HE   ARG 553           HE       ARG 553   7.923 -13.126   1.123
  239   1HH1  ARG 553          1HH1      ARG 553   4.612 -12.209   0.550
  240   2HH1  ARG 553          2HH1      ARG 553   3.956 -13.639   1.271
  241   1HH2  ARG 553          1HH2      ARG 553   7.068 -15.013   2.077
  242   2HH2  ARG 553          2HH2      ARG 553   5.350 -15.234   2.139
  243    H    ARG 554           H        ARG 554   7.128  -6.586  -2.258
  244    HA   ARG 554           HA       ARG 554   9.573  -5.105  -1.537
  245   1HB   ARG 554          2HB       ARG 554   8.105  -5.172  -4.176
  246   2HB   ARG 554          1HB       ARG 554   9.377  -4.020  -3.791
  247   1HG   ARG 554          2HG       ARG 554  11.004  -5.747  -3.630
  248   2HG   ARG 554          1HG       ARG 554   9.765  -7.001  -3.719
  249   1HD   ARG 554          2HD       ARG 554  10.512  -7.009  -5.883
  250   2HD   ARG 554          1HD       ARG 554   9.204  -5.833  -6.002
  251    HE   ARG 554           HE       ARG 554  11.699  -4.596  -5.390
  252   1HH1  ARG 554          1HH1      ARG 554   9.797  -5.936  -7.981
  253   2HH1  ARG 554          2HH1      ARG 554  10.555  -4.977  -9.208
  254   1HH2  ARG 554          1HH2      ARG 554  12.704  -3.327  -6.998
  255   2HH2  ARG 554          2HH2      ARG 554  12.208  -3.494  -8.649
  256    H    THR 555           H        THR 555   9.251  -2.661  -2.053
  257    HA   THR 555           HA       THR 555   6.530  -1.834  -1.324
  258    HB   THR 555           HB       THR 555   7.546  -0.106   0.211
  259    HG1  THR 555           1HG      THR 555   9.753  -0.606  -0.717
  260   1HG2  THR 555          1HG2      THR 555   8.230  -2.819   1.251
  261   2HG2  THR 555          2HG2      THR 555   6.563  -2.465   0.806
  262   3HG2  THR 555          3HG2      THR 555   7.369  -1.497   2.039
  263    H    THR 556           H        THR 556   5.955   0.292  -1.878
  264    HA   THR 556           HA       THR 556   7.811   1.875  -3.464
  265    HB   THR 556           HB       THR 556   6.887   0.563  -5.227
  266    HG1  THR 556           1HG      THR 556   6.633   2.375  -6.275
  267   1HG2  THR 556          1HG2      THR 556   4.357   0.536  -5.553
  268   2HG2  THR 556          2HG2      THR 556   4.246   1.066  -3.876
  269   3HG2  THR 556          3HG2      THR 556   5.004  -0.478  -4.265
  270    H    TRP 557           H        TRP 557   7.011   4.030  -3.902
  271    HA   TRP 557           HA       TRP 557   5.522   5.064  -1.670
  272   1HB   TRP 557          2HB       TRP 557   6.869   6.342  -4.037
  273   2HB   TRP 557          1HB       TRP 557   5.963   7.278  -2.853
  274    HD1  TRP 557           HD       TRP 557   9.355   6.706  -3.567
  275    HE1  TRP 557           1HE      TRP 557  10.851   6.704  -1.475
  276    HE3  TRP 557           3HE      TRP 557   5.752   6.088  -0.023
  277    HZ2  TRP 557           2HZ      TRP 557  10.537   6.479   1.324
  278    HZ3  TRP 557           3HZ      TRP 557   6.425   5.990   2.348
  279    HH2  TRP 557           HH       TRP 557   8.769   6.182   3.004
  280    H    ILE 558           H        ILE 558   4.650   3.948  -4.748
  281    HA   ILE 558           HA       ILE 558   2.215   5.600  -4.728
  282    HB   ILE 558           HB       ILE 558   3.379   4.100  -7.066
  283   1HG1  ILE 558          2HG1      ILE 558   4.741   6.049  -6.042
  284   2HG1  ILE 558          1HG1      ILE 558   4.435   6.068  -7.779
  285   1HG2  ILE 558          1HG2      ILE 558   0.971   5.775  -6.652
  286   2HG2  ILE 558          2HG2      ILE 558   1.217   4.381  -7.702
  287   3HG2  ILE 558          3HG2      ILE 558   1.837   5.962  -8.177
  288   1HD1  ILE 558          1HD1      ILE 558   3.025   7.860  -7.641
  289   2HD1  ILE 558          2HD1      ILE 558   4.120   8.213  -6.304
  290   3HD1  ILE 558          3HD1      ILE 558   2.542   7.493  -5.984
  291    H    ASP 559           H        ASP 559   0.214   4.621  -5.269
  292    HA   ASP 559           HA       ASP 559   0.033   1.865  -4.328
  293   1HB   ASP 559          2HB       ASP 559  -2.301   2.308  -3.945
  294   2HB   ASP 559          1HB       ASP 559  -1.379   3.668  -3.314
  295    HA   PRO 560           HA       PRO 560  -0.916   0.464  -8.434
  296   1HB   PRO 560          2HB       PRO 560  -1.670  -2.082  -7.764
  297   2HB   PRO 560          1HB       PRO 560   0.004  -1.538  -7.865
  298   1HG   PRO 560          2HG       PRO 560  -1.556  -2.250  -5.513
  299   2HG   PRO 560          1HG       PRO 560   0.180  -1.982  -5.668
  300   1HD   PRO 560          2HD       PRO 560  -1.829  -0.195  -4.613
  301   2HD   PRO 560          1HD       PRO 560  -0.067  -0.015  -4.617
  302    H    ARG 561           H        ARG 561  -3.241   0.260  -5.844
  303    HA   ARG 561           HA       ARG 561  -5.473  -0.721  -7.140
  304   1HB   ARG 561          2HB       ARG 561  -6.716   0.885  -5.513
  305   2HB   ARG 561          1HB       ARG 561  -5.751  -0.428  -4.857
  306   1HG   ARG 561          2HG       ARG 561  -4.166   0.970  -4.012
  307   2HG   ARG 561          1HG       ARG 561  -4.426   2.195  -5.255
  308   1HD   ARG 561          2HD       ARG 561  -5.521   3.324  -3.669
  309   2HD   ARG 561          1HD       ARG 561  -6.828   2.172  -3.937
  310    HE   ARG 561           HE       ARG 561  -5.325   0.904  -2.113
  311   1HH1  ARG 561          1HH1      ARG 561  -6.558   4.161  -2.255
  312   2HH1  ARG 561          2HH1      ARG 561  -6.667   4.330  -0.535
  313   1HH2  ARG 561          1HH2      ARG 561  -5.468   1.119   0.151
  314   2HH2  ARG 561          2HH2      ARG 561  -6.047   2.602   0.832
  315    H    ASN 562           H        ASN 562  -3.870   2.309  -7.543
  316    HA   ASN 562           HA       ASN 562  -5.702   3.004  -9.683
  317   1HB   ASN 562          2HB       ASN 562  -5.183   5.435  -8.228
  318   2HB   ASN 562          1HB       ASN 562  -6.725   4.746  -8.712
  319   1HD2  ASN 562          1HD2      ASN 562  -4.866   5.682  -6.147
  320   2HD2  ASN 562          2HD2      ASN 562  -5.681   4.831  -4.884
  321    H    GLY 563           H        GLY 563  -2.909   4.123  -7.782
  322   1HA   GLY 563          2HA       GLY 563  -0.748   4.089  -9.009
  323   2HA   GLY 563          1HA       GLY 563  -1.612   4.849 -10.337
  324    H    ARG 564           H        ARG 564  -1.961   5.619  -6.917
  325    HA   ARG 564           HA       ARG 564  -0.719   8.238  -7.447
  326   1HB   ARG 564          2HB       ARG 564  -2.939   7.915  -5.459
  327   2HB   ARG 564          1HB       ARG 564  -2.401   9.367  -6.291
  328   1HG   ARG 564          2HG       ARG 564  -3.700   7.079  -7.736
  329   2HG   ARG 564          1HG       ARG 564  -4.626   8.392  -7.004
  330   1HD   ARG 564          2HD       ARG 564  -2.383   9.243  -8.700
  331   2HD   ARG 564          1HD       ARG 564  -3.677   8.400  -9.549
  332    HE   ARG 564           HE       ARG 564  -4.751  10.388  -7.851
  333   1HH1  ARG 564          1HH1      ARG 564  -3.026   9.987 -10.848
  334   2HH1  ARG 564          2HH1      ARG 564  -3.630  11.453 -11.544
  335   1HH2  ARG 564          1HH2      ARG 564  -5.556  12.322  -8.757
  336   2HH2  ARG 564          2HH2      ARG 564  -5.068  12.783 -10.354
  337    H    ALA 565           H        ALA 565   0.279   9.273  -5.631
  338    HA   ALA 565           HA       ALA 565   1.918   7.630  -4.108
  339   1HB   ALA 565          1HB       ALA 565   2.888   9.545  -3.473
  340   2HB   ALA 565          2HB       ALA 565   1.376  10.218  -2.867
  341   3HB   ALA 565          3HB       ALA 565   1.759  10.319  -4.586
  342    H    SER 566           H        SER 566   1.791   6.698  -2.141
  343    HA   SER 566           HA       SER 566  -0.657   6.077  -0.992
  344   1HB   SER 566          2HB       SER 566   1.463   6.043   0.987
  345   2HB   SER 566          1HB       SER 566   0.605   4.692   0.245
  346    HG   SER 566           HG       SER 566   2.503   4.355  -0.622
  347   1H    THR 227          1HT       THR 227  13.575   9.240   0.900
  348   2H    THR 227          2HT       THR 227  14.559  10.071  -0.195
  349   3H    THR 227          3HT       THR 227  15.242   9.343   1.170
  350    HA   THR 227           HA       THR 227  13.897   7.896  -1.038
  351    HB   THR 227           HB       THR 227  16.311   7.017  -1.370
  352    HG1  THR 227           1HG      THR 227  17.907   8.547  -0.772
  353   1HG2  THR 227          1HG2      THR 227  16.678   8.578  -3.081
  354   2HG2  THR 227          2HG2      THR 227  15.907   9.882  -2.179
  355   3HG2  THR 227          3HG2      THR 227  14.927   8.585  -2.862
  356    H    GLY 228           H        GLY 228  12.972   7.346   1.395
  357   1HA   GLY 228          2HA       GLY 228  14.577   5.213   2.578
  358   2HA   GLY 228          1HA       GLY 228  13.084   5.873   3.229
  359    H    LEU 229           H        LEU 229  11.126   5.012   2.615
  360    HA   LEU 229           HA       LEU 229   9.676   3.391   1.951
  361   1HB   LEU 229          2HB       LEU 229  10.137   4.252  -0.267
  362   2HB   LEU 229          1HB       LEU 229  11.578   3.262  -0.387
  363    HG   LEU 229           HG       LEU 229   9.748   1.332   0.031
  364   1HD1  LEU 229          1HD1      LEU 229   8.220   3.077  -1.820
  365   2HD1  LEU 229          2HD1      LEU 229   8.052   3.358  -0.086
  366   3HD1  LEU 229          3HD1      LEU 229   7.662   1.777  -0.765
  367   1HD2  LEU 229          1HD2      LEU 229   9.720   2.018  -2.762
  368   2HD2  LEU 229          2HD2      LEU 229  10.540   0.690  -1.942
  369   3HD2  LEU 229          3HD2      LEU 229  11.328   2.262  -2.079
  370    HA   PRO 230           HA       PRO 230  12.437   0.202   3.974
  371   1HB   PRO 230          2HB       PRO 230   9.657  -0.477   4.841
  372   2HB   PRO 230          1HB       PRO 230  11.159  -0.500   5.771
  373   1HG   PRO 230          2HG       PRO 230   9.409   1.487   6.065
  374   2HG   PRO 230          1HG       PRO 230  11.154   1.797   6.088
  375   1HD   PRO 230          2HD       PRO 230   9.156   2.375   3.961
  376   2HD   PRO 230          1HD       PRO 230  10.645   3.245   4.382
  377    H    SER 231           H        SER 231  13.013  -1.296   2.521
  378    HA   SER 231           HA       SER 231  11.247  -2.350   0.560
  379   1HB   SER 231          2HB       SER 231  13.127  -3.784  -0.078
  380   2HB   SER 231          1HB       SER 231  13.674  -2.127   0.179
  381    HG   SER 231           HG       SER 231  15.088  -3.123   1.403
  382    H    TYR 232           H        TYR 232   9.710  -2.923   2.498
  383    HA   TYR 232           HA       TYR 232   8.516  -4.576   3.494
  384   1HB   TYR 232          2HB       TYR 232   9.255  -5.738   1.273
  385   2HB   TYR 232          1HB       TYR 232  10.317  -6.666   2.325
  386    HD1  TYR 232           1HD      TYR 232   7.112  -6.514   0.885
  387    HD2  TYR 232           2HD      TYR 232   9.136  -7.747   4.418
  388    HE1  TYR 232           1HE      TYR 232   5.243  -8.019   1.422
  389    HE2  TYR 232           2HE      TYR 232   7.273  -9.256   4.965
  390    HH   TYR 232           HH       TYR 232   5.408 -10.266   4.117
  391    H    ASP 233           H        ASP 233  11.824  -5.926   3.429
  392    HA   ASP 233           HA       ASP 233  11.824  -7.123   5.897
  393   1HB   ASP 233          2HB       ASP 233  14.064  -5.796   4.377
  394   2HB   ASP 233          1HB       ASP 233  14.338  -6.667   5.883
  395    H    GLU 234           H        GLU 234  12.977  -3.816   5.207
  396    HA   GLU 234           HA       GLU 234  13.315  -3.181   7.970
  397   1HB   GLU 234          2HB       GLU 234  13.407  -1.612   5.417
  398   2HB   GLU 234          1HB       GLU 234  13.403  -0.775   6.963
  399   1HG   GLU 234          2HG       GLU 234  15.335  -2.888   7.010
  400   2HG   GLU 234          1HG       GLU 234  15.591  -1.868   5.596
  401    H    ALA 235           H        ALA 235  10.683  -3.022   5.730
  402    HA   ALA 235           HA       ALA 235   9.107  -1.029   6.875
  403   1HB   ALA 235          1HB       ALA 235   7.322  -1.879   5.629
  404   2HB   ALA 235          2HB       ALA 235   7.937  -3.529   5.699
  405   3HB   ALA 235          3HB       ALA 235   8.749  -2.327   4.696
  406    H    LEU 236           H        LEU 236   8.916  -4.550   7.439
  407    HA   LEU 236           HA       LEU 236   7.057  -4.360   9.553
  408   1HB   LEU 236          2HB       LEU 236   8.735  -6.452   8.349
  409   2HB   LEU 236          1HB       LEU 236   8.365  -6.705  10.044
  410    HG   LEU 236           HG       LEU 236   5.895  -6.162   9.178
  411   1HD1  LEU 236          1HD1      LEU 236   7.043  -7.632   6.828
  412   2HD1  LEU 236          2HD1      LEU 236   6.880  -5.876   6.836
  413   3HD1  LEU 236          3HD1      LEU 236   5.450  -6.894   7.004
  414   1HD2  LEU 236          1HD2      LEU 236   6.927  -8.228  10.318
  415   2HD2  LEU 236          2HD2      LEU 236   7.012  -8.898   8.689
  416   3HD2  LEU 236          3HD2      LEU 236   5.453  -8.437   9.372
  417    H    HIS 237           H        HIS 237  10.555  -5.067   9.659
  418    HA   HIS 237           HA       HIS 237  10.622  -3.829  12.328
  419   1HB   HIS 237          2HB       HIS 237  12.455  -5.533  12.848
  420   2HB   HIS 237          1HB       HIS 237  10.801  -6.133  12.805
  421    HD1  HIS 237           1HD      HIS 237  14.025  -7.067  11.736
  422    HD2  HIS 237           2HD      HIS 237  10.265  -7.179   9.970
  423    HE1  HIS 237           1HE      HIS 237  14.200  -8.764   9.888
  424    HE2  HIS 237           2HE      HIS 237  11.894  -8.866   8.880
  Start of MODEL   11
    1   1H    GLY 521          1HT       GLY 521 -19.873   0.651  -3.396
    2   2H    GLY 521          2HT       GLY 521 -19.559  -0.996  -3.615
    3   3H    GLY 521          3HT       GLY 521 -20.937  -0.504  -2.766
    4   1HA   GLY 521          1HA       GLY 521 -20.963   0.710  -5.302
    5   2HA   GLY 521          2HA       GLY 521 -20.693  -1.016  -5.496
    6    HA   PRO 522           HA       PRO 522 -24.959  -1.898  -4.890
    7   1HB   PRO 522          2HB       PRO 522 -25.007  -3.901  -3.034
    8   2HB   PRO 522          1HB       PRO 522 -24.525  -4.143  -4.717
    9   1HG   PRO 522          2HG       PRO 522 -22.812  -3.767  -2.291
   10   2HG   PRO 522          1HG       PRO 522 -22.613  -4.905  -3.636
   11   1HD   PRO 522          2HD       PRO 522 -21.185  -2.626  -3.475
   12   2HD   PRO 522          1HD       PRO 522 -21.714  -3.296  -5.032
   13    H    LEU 523           H        LEU 523 -23.350  -1.971  -1.703
   14    HA   LEU 523           HA       LEU 523 -24.756   0.207  -0.642
   15   1HB   LEU 523          2HB       LEU 523 -26.569  -1.636  -0.893
   16   2HB   LEU 523          1HB       LEU 523 -25.798  -2.360   0.504
   17    HG   LEU 523           HG       LEU 523 -26.678   0.500   0.608
   18   1HD1  LEU 523          1HD1      LEU 523 -28.866  -0.078   1.256
   19   2HD1  LEU 523          2HD1      LEU 523 -28.476  -1.795   1.335
   20   3HD1  LEU 523          3HD1      LEU 523 -28.558  -0.979  -0.227
   21   1HD2  LEU 523          1HD2      LEU 523 -26.575  -1.637   2.729
   22   2HD2  LEU 523          2HD2      LEU 523 -26.800   0.096   2.959
   23   3HD2  LEU 523          3HD2      LEU 523 -25.252  -0.523   2.385
   24    H    GLY 524           H        GLY 524 -23.534   0.939   0.971
   25   1HA   GLY 524          2HA       GLY 524 -22.704  -0.034   3.266
   26   2HA   GLY 524          1HA       GLY 524 -21.604  -0.889   2.196
   27    H    SER 525           H        SER 525 -21.034   1.080   4.298
   28    HA   SER 525           HA       SER 525 -20.319   3.553   3.105
   29   1HB   SER 525          2HB       SER 525 -18.696   2.823   5.414
   30   2HB   SER 525          1HB       SER 525 -19.836   4.154   5.219
   31    HG   SER 525           HG       SER 525 -21.494   2.811   5.818
   32    H    GLY 526           H        GLY 526 -19.124   3.180   1.246
   33   1HA   GLY 526          2HA       GLY 526 -16.328   2.456   1.738
   34   2HA   GLY 526          1HA       GLY 526 -17.200   1.560   0.504
   35    H    GLU 527           H        GLU 527 -14.850   3.378   0.343
   36    HA   GLU 527           HA       GLU 527 -15.608   4.717  -2.051
   37   1HB   GLU 527          2HB       GLU 527 -14.847   7.010  -1.129
   38   2HB   GLU 527          1HB       GLU 527 -16.486   6.469  -0.796
   39   1HG   GLU 527          2HG       GLU 527 -16.114   6.776   1.357
   40   2HG   GLU 527          1HG       GLU 527 -14.897   5.502   1.305
   41    H    GLU 528           H        GLU 528 -13.241   4.524   0.578
   42    HA   GLU 528           HA       GLU 528 -11.027   5.284  -1.059
   43   1HB   GLU 528          2HB       GLU 528 -11.474   4.968   1.669
   44   2HB   GLU 528          1HB       GLU 528 -10.319   3.702   1.277
   45   1HG   GLU 528          2HG       GLU 528  -9.014   5.569   0.079
   46   2HG   GLU 528          1HG       GLU 528 -10.024   6.666   1.019
   47    H    GLU 529           H        GLU 529 -10.007   4.090  -2.505
   48    HA   GLU 529           HA       GLU 529 -10.664   1.452  -3.127
   49   1HB   GLU 529          2HB       GLU 529  -9.557   3.085  -4.659
   50   2HB   GLU 529          1HB       GLU 529  -8.065   2.857  -3.756
   51   1HG   GLU 529          2HG       GLU 529  -8.018   1.540  -5.763
   52   2HG   GLU 529          1HG       GLU 529  -8.078   0.485  -4.351
   53    HA   PRO 530           HA       PRO 530  -8.141  -0.627  -0.081
   54   1HB   PRO 530          2HB       PRO 530  -9.053  -3.101  -0.484
   55   2HB   PRO 530          1HB       PRO 530 -10.092  -1.846   0.203
   56   1HG   PRO 530          2HG       PRO 530 -10.064  -2.990  -2.540
   57   2HG   PRO 530          1HG       PRO 530 -11.428  -2.382  -1.588
   58   1HD   PRO 530          2HD       PRO 530 -10.016  -0.997  -3.611
   59   2HD   PRO 530          1HD       PRO 530 -11.220  -0.320  -2.499
   60    H    LEU 531           H        LEU 531  -6.166  -1.516  -0.070
   61    HA   LEU 531           HA       LEU 531  -4.444  -1.693  -2.134
   62   1HB   LEU 531          2HB       LEU 531  -3.417  -3.690  -0.714
   63   2HB   LEU 531          1HB       LEU 531  -3.347  -2.024  -0.174
   64    HG   LEU 531           HG       LEU 531  -5.780  -3.202   0.771
   65   1HD1  LEU 531          1HD1      LEU 531  -5.206  -5.128   1.783
   66   2HD1  LEU 531          2HD1      LEU 531  -3.532  -4.634   2.024
   67   3HD1  LEU 531          3HD1      LEU 531  -4.062  -5.216   0.446
   68   1HD2  LEU 531          1HD2      LEU 531  -5.041  -2.378   2.850
   69   2HD2  LEU 531          2HD2      LEU 531  -4.430  -1.245   1.644
   70   3HD2  LEU 531          3HD2      LEU 531  -3.348  -2.441   2.360
   71    HA   PRO 532           HA       PRO 532  -5.619  -4.807  -5.025
   72   1HB   PRO 532          2HB       PRO 532  -2.697  -5.396  -5.063
   73   2HB   PRO 532          1HB       PRO 532  -3.804  -5.113  -6.409
   74   1HG   PRO 532          2HG       PRO 532  -2.126  -3.216  -5.638
   75   2HG   PRO 532          1HG       PRO 532  -3.785  -2.811  -6.110
   76   1HD   PRO 532          2HD       PRO 532  -2.573  -2.953  -3.387
   77   2HD   PRO 532          1HD       PRO 532  -3.817  -1.854  -4.013
   78    HA   PRO 533           HA       PRO 533  -5.587  -8.880  -3.385
   79   1HB   PRO 533          2HB       PRO 533  -4.062 -10.060  -5.598
   80   2HB   PRO 533          1HB       PRO 533  -5.732 -10.341  -5.101
   81   1HG   PRO 533          2HG       PRO 533  -5.162  -8.987  -7.334
   82   2HG   PRO 533          1HG       PRO 533  -6.531  -8.524  -6.305
   83   1HD   PRO 533          2HD       PRO 533  -3.788  -7.316  -6.466
   84   2HD   PRO 533          1HD       PRO 533  -5.369  -6.506  -6.393
   85    H    ARG 534           H        ARG 534  -2.482  -7.638  -4.045
   86    HA   ARG 534           HA       ARG 534  -1.381  -9.515  -2.086
   87   1HB   ARG 534          2HB       ARG 534  -0.331  -9.092  -4.869
   88   2HB   ARG 534          1HB       ARG 534   0.716  -9.650  -3.571
   89   1HG   ARG 534          2HG       ARG 534  -1.850 -11.069  -4.146
   90   2HG   ARG 534          1HG       ARG 534  -0.416 -11.375  -5.129
   91   1HD   ARG 534          2HD       ARG 534   0.817 -11.815  -2.972
   92   2HD   ARG 534          1HD       ARG 534  -0.750 -11.783  -2.165
   93    HE   ARG 534           HE       ARG 534  -1.207 -13.856  -3.035
   94   1HH1  ARG 534          1HH1      ARG 534   1.551 -12.499  -4.670
   95   2HH1  ARG 534          2HH1      ARG 534   1.945 -13.967  -5.500
   96   1HH2  ARG 534          1HH2      ARG 534  -0.696 -15.796  -4.121
   97   2HH2  ARG 534          2HH2      ARG 534   0.667 -15.840  -5.189
   98    H    TRP 535           H        TRP 535  -2.046  -6.898  -1.576
   99    HA   TRP 535           HA       TRP 535   0.612  -5.804  -1.054
  100   1HB   TRP 535          2HB       TRP 535  -1.656  -4.210  -2.234
  101   2HB   TRP 535          1HB       TRP 535  -0.148  -3.524  -1.640
  102    HD1  TRP 535           HD       TRP 535  -1.174  -6.215  -4.247
  103    HE1  TRP 535           1HE      TRP 535   0.378  -5.974  -6.279
  104    HE3  TRP 535           3HE      TRP 535   1.806  -2.453  -2.513
  105    HZ2  TRP 535           2HZ      TRP 535   2.595  -4.377  -7.038
  106    HZ3  TRP 535           3HZ      TRP 535   3.624  -1.625  -3.949
  107    HH2  TRP 535           HH       TRP 535   4.010  -2.572  -6.166
  108    H    SER 536           H        SER 536   0.493  -3.886   0.462
  109    HA   SER 536           HA       SER 536  -1.713  -4.106   2.375
  110   1HB   SER 536          2HB       SER 536   0.816  -5.245   2.813
  111   2HB   SER 536          1HB       SER 536   0.796  -3.767   3.770
  112    HG   SER 536           HG       SER 536  -0.645  -6.096   4.078
  113    H    MET 537           H        MET 537  -0.498  -2.434   4.321
  114    HA   MET 537           HA       MET 537   0.207   0.037   2.969
  115   1HB   MET 537          2HB       MET 537  -2.394  -0.418   4.377
  116   2HB   MET 537          1HB       MET 537  -1.636   1.165   4.473
  117   1HG   MET 537          2HG       MET 537  -1.597   1.256   2.007
  118   2HG   MET 537          1HG       MET 537  -2.455  -0.283   1.967
  119   1HE   MET 537          1HE       MET 537  -2.259   3.124   3.313
  120   2HE   MET 537          2HE       MET 537  -3.868   3.523   3.914
  121   3HE   MET 537          3HE       MET 537  -3.465   3.801   2.220
  122    H    GLN 538           H        GLN 538   1.845   0.881   4.072
  123    HA   GLN 538           HA       GLN 538   1.770   0.922   6.979
  124   1HB   GLN 538          2HB       GLN 538   2.903  -1.192   6.452
  125   2HB   GLN 538          1HB       GLN 538   4.063  -0.327   5.451
  126   1HG   GLN 538          2HG       GLN 538   5.354  -0.108   7.231
  127   2HG   GLN 538          1HG       GLN 538   4.127   0.935   7.947
  128   1HE2  GLN 538          1HE2      GLN 538   6.030  -1.447   8.744
  129   2HE2  GLN 538          2HE2      GLN 538   5.027  -2.362   9.812
  130    H    VAL 539           H        VAL 539   2.774   2.661   7.853
  131    HA   VAL 539           HA       VAL 539   3.672   4.722   6.034
  132    HB   VAL 539           HB       VAL 539   3.582   4.811   9.053
  133   1HG1  VAL 539          1HG1      VAL 539   4.821   6.650   8.480
  134   2HG1  VAL 539          2HG1      VAL 539   3.195   7.322   8.366
  135   3HG1  VAL 539          3HG1      VAL 539   4.046   6.820   6.905
  136   1HG2  VAL 539          1HG2      VAL 539   1.456   6.219   7.682
  137   2HG2  VAL 539          2HG2      VAL 539   1.370   5.059   9.009
  138   3HG2  VAL 539          3HG2      VAL 539   1.422   4.489   7.341
  139    H    ALA 540           H        ALA 540   5.725   5.269   5.615
  140    HA   ALA 540           HA       ALA 540   7.834   3.737   6.931
  141   1HB   ALA 540          1HB       ALA 540   9.166   5.032   5.019
  142   2HB   ALA 540          2HB       ALA 540   7.549   5.101   4.320
  143   3HB   ALA 540          3HB       ALA 540   8.273   3.543   4.715
  144    HA   PRO 541           HA       PRO 541   9.437   7.038   9.361
  145   1HB   PRO 541          2HB       PRO 541  12.137   6.712   9.018
  146   2HB   PRO 541          1HB       PRO 541  11.149   5.702  10.079
  147   1HG   PRO 541          2HG       PRO 541  12.104   5.160   7.296
  148   2HG   PRO 541          1HG       PRO 541  12.031   4.065   8.690
  149   1HD   PRO 541          2HD       PRO 541  10.189   3.996   6.730
  150   2HD   PRO 541          1HD       PRO 541   9.766   3.677   8.424
  151    H    ASN 542           H        ASN 542  10.302   6.766   6.014
  152    HA   ASN 542           HA       ASN 542  11.823   9.045   5.603
  153   1HB   ASN 542          2HB       ASN 542  11.420   7.372   3.859
  154   2HB   ASN 542          1HB       ASN 542   9.725   7.843   3.782
  155   1HD2  ASN 542          1HD2      ASN 542  10.234   8.150   1.509
  156   2HD2  ASN 542          2HD2      ASN 542  10.907   9.657   0.999
  157    H    GLY 543           H        GLY 543   8.297   8.693   5.742
  158   1HA   GLY 543          2HA       GLY 543   7.357  10.756   6.962
  159   2HA   GLY 543          1HA       GLY 543   8.052  11.624   5.602
  160    H    ARG 544           H        ARG 544   7.180   8.967   4.084
  161    HA   ARG 544           HA       ARG 544   4.362   9.746   3.783
  162   1HB   ARG 544          2HB       ARG 544   4.492   9.612   1.412
  163   2HB   ARG 544          1HB       ARG 544   5.826  10.628   1.936
  164   1HG   ARG 544          2HG       ARG 544   6.296   7.715   1.522
  165   2HG   ARG 544          1HG       ARG 544   6.181   8.783   0.126
  166   1HD   ARG 544          2HD       ARG 544   7.851  10.119   1.899
  167   2HD   ARG 544          1HD       ARG 544   8.344   8.430   2.015
  168    HE   ARG 544           HE       ARG 544   9.158   8.547  -0.128
  169   1HH1  ARG 544          1HH1      ARG 544   7.187  11.342   0.524
  170   2HH1  ARG 544          2HH1      ARG 544   7.646  12.166  -0.927
  171   1HH2  ARG 544          1HH2      ARG 544   9.773   9.627  -2.044
  172   2HH2  ARG 544          2HH2      ARG 544   9.115  11.192  -2.387
  173    H    THR 545           H        THR 545   2.895   8.134   3.340
  174    HA   THR 545           HA       THR 545   3.588   5.526   4.246
  175    HB   THR 545           HB       THR 545   1.189   5.142   3.018
  176    HG1  THR 545           1HG      THR 545   1.034   7.800   4.001
  177   1HG2  THR 545          1HG2      THR 545   0.183   5.653   5.248
  178   2HG2  THR 545          2HG2      THR 545   1.738   6.321   5.744
  179   3HG2  THR 545          3HG2      THR 545   1.605   4.612   5.327
  180    H    PHE 546           H        PHE 546   3.719   3.605   3.091
  181    HA   PHE 546           HA       PHE 546   3.983   3.905   0.176
  182   1HB   PHE 546          2HB       PHE 546   5.769   2.172   0.314
  183   2HB   PHE 546          1HB       PHE 546   6.191   3.687   1.104
  184    HD1  PHE 546           1HD      PHE 546   5.749   0.151   1.489
  185    HD2  PHE 546           2HD      PHE 546   6.015   3.833   3.614
  186    HE1  PHE 546           1HE      PHE 546   6.245  -1.086   3.554
  187    HE2  PHE 546           2HE      PHE 546   6.514   2.591   5.685
  188    HZ   PHE 546           HZ       PHE 546   6.628   0.135   5.656
  189    H    PHE 547           H        PHE 547   4.014   1.641  -0.884
  190    HA   PHE 547           HA       PHE 547   1.854   0.035   0.316
  191   1HB   PHE 547          2HB       PHE 547   2.092   1.231  -2.294
  192   2HB   PHE 547          1HB       PHE 547   1.909  -0.513  -2.433
  193    HD1  PHE 547           1HD      PHE 547   0.380   2.524  -0.959
  194    HD2  PHE 547           2HD      PHE 547  -0.171  -1.530  -2.129
  195    HE1  PHE 547           1HE      PHE 547  -2.043   2.752  -0.598
  196    HE2  PHE 547           2HE      PHE 547  -2.589  -1.307  -1.778
  197    HZ   PHE 547           HZ       PHE 547  -3.533   0.833  -1.009
  198    H    ILE 548           H        ILE 548   2.364  -1.925   0.858
  199    HA   ILE 548           HA       ILE 548   4.891  -3.052   0.055
  200    HB   ILE 548           HB       ILE 548   2.725  -4.085   1.884
  201   1HG1  ILE 548          2HG1      ILE 548   5.217  -3.587   3.172
  202   2HG1  ILE 548          1HG1      ILE 548   4.823  -2.174   2.191
  203   1HG2  ILE 548          1HG2      ILE 548   3.672  -6.089   1.532
  204   2HG2  ILE 548          2HG2      ILE 548   4.972  -5.471   2.552
  205   3HG2  ILE 548          3HG2      ILE 548   5.114  -5.390   0.795
  206   1HD1  ILE 548          1HD1      ILE 548   2.868  -1.756   3.375
  207   2HD1  ILE 548          2HD1      ILE 548   4.016  -2.245   4.620
  208   3HD1  ILE 548          3HD1      ILE 548   2.805  -3.388   4.039
  209    H    ASP 549           H        ASP 549   5.206  -4.846  -1.180
  210    HA   ASP 549           HA       ASP 549   2.863  -5.855  -2.652
  211   1HB   ASP 549          2HB       ASP 549   4.305  -4.596  -4.134
  212   2HB   ASP 549          1HB       ASP 549   5.714  -5.500  -3.595
  213    H    HIS 550           H        HIS 550   2.365  -7.877  -2.173
  214    HA   HIS 550           HA       HIS 550   4.235  -9.597  -0.811
  215   1HB   HIS 550          2HB       HIS 550   1.425 -10.177  -1.771
  216   2HB   HIS 550          1HB       HIS 550   2.364 -11.164  -0.656
  217    HD2  HIS 550           2HD      HIS 550   1.994  -7.271  -0.307
  218    HE1  HIS 550           1HE      HIS 550   0.162  -9.191   2.989
  219    HE2  HIS 550           2HE      HIS 550   0.662  -6.959   1.897
  220    H    ALA 551           H        ALA 551   2.924  -9.256  -4.027
  221    HA   ALA 551           HA       ALA 551   3.362 -11.722  -5.151
  222   1HB   ALA 551          1HB       ALA 551   2.574  -9.377  -6.140
  223   2HB   ALA 551          2HB       ALA 551   3.117 -10.705  -7.165
  224   3HB   ALA 551          3HB       ALA 551   4.223  -9.392  -6.764
  225    H    SER 552           H        SER 552   5.741  -9.188  -4.508
  226    HA   SER 552           HA       SER 552   7.860 -11.164  -5.017
  227   1HB   SER 552          2HB       SER 552   7.395  -8.922  -6.584
  228   2HB   SER 552          1HB       SER 552   8.699  -8.419  -5.509
  229    HG   SER 552           HG       SER 552   8.647 -10.599  -7.307
  230    H    ARG 553           H        ARG 553   6.412  -9.382  -2.691
  231    HA   ARG 553           HA       ARG 553   6.987  -8.774  -0.586
  232   1HB   ARG 553          2HB       ARG 553   9.540 -10.257  -1.225
  233   2HB   ARG 553          1HB       ARG 553   9.080  -9.685   0.373
  234   1HG   ARG 553          2HG       ARG 553   7.291 -11.524  -1.164
  235   2HG   ARG 553          1HG       ARG 553   8.659 -12.148  -0.240
  236   1HD   ARG 553          2HD       ARG 553   7.565 -10.540   1.608
  237   2HD   ARG 553          1HD       ARG 553   6.119 -10.953   0.687
  238    HE   ARG 553           HE       ARG 553   7.749 -13.215   1.420
  239   1HH1  ARG 553          1HH1      ARG 553   5.148 -11.103   2.369
  240   2HH1  ARG 553          2HH1      ARG 553   4.445 -12.247   3.463
  241   1HH2  ARG 553          1HH2      ARG 553   6.827 -14.731   2.855
  242   2HH2  ARG 553          2HH2      ARG 553   5.399 -14.309   3.740
  243    H    ARG 554           H        ARG 554   7.118  -6.727  -2.175
  244    HA   ARG 554           HA       ARG 554   9.570  -5.322  -1.374
  245   1HB   ARG 554          2HB       ARG 554   8.258  -4.936  -4.066
  246   2HB   ARG 554          1HB       ARG 554   9.786  -4.264  -3.512
  247   1HG   ARG 554          2HG       ARG 554  10.728  -6.535  -3.431
  248   2HG   ARG 554          1HG       ARG 554   9.205  -7.168  -4.058
  249   1HD   ARG 554          2HD       ARG 554  10.884  -5.108  -5.475
  250   2HD   ARG 554          1HD       ARG 554  10.995  -6.841  -5.776
  251    HE   ARG 554           HE       ARG 554   8.362  -6.315  -6.124
  252   1HH1  ARG 554          1HH1      ARG 554  11.279  -4.928  -7.423
  253   2HH1  ARG 554          2HH1      ARG 554  10.547  -4.467  -8.924
  254   1HH2  ARG 554          1HH2      ARG 554   7.386  -5.710  -8.094
  255   2HH2  ARG 554          2HH2      ARG 554   8.333  -4.910  -9.305
  256    H    THR 555           H        THR 555   8.905  -2.844  -2.515
  257    HA   THR 555           HA       THR 555   6.248  -2.123  -1.649
  258    HB   THR 555           HB       THR 555   6.830  -0.600   0.079
  259    HG1  THR 555           1HG      THR 555   9.203  -0.596   0.689
  260   1HG2  THR 555          1HG2      THR 555   7.747  -2.041   1.790
  261   2HG2  THR 555          2HG2      THR 555   8.450  -3.101   0.568
  262   3HG2  THR 555          3HG2      THR 555   6.699  -2.992   0.739
  263    H    THR 556           H        THR 556   6.112   0.416  -1.652
  264    HA   THR 556           HA       THR 556   7.867   1.820  -3.398
  265    HB   THR 556           HB       THR 556   6.911   0.713  -5.230
  266    HG1  THR 556           1HG      THR 556   6.660   2.670  -6.013
  267   1HG2  THR 556          1HG2      THR 556   4.655   0.419  -3.494
  268   2HG2  THR 556          2HG2      THR 556   5.010  -0.428  -4.999
  269   3HG2  THR 556          3HG2      THR 556   4.119   1.094  -5.032
  270    H    TRP 557           H        TRP 557   7.130   4.022  -3.813
  271    HA   TRP 557           HA       TRP 557   5.668   5.054  -1.546
  272   1HB   TRP 557          2HB       TRP 557   7.049   6.444  -3.845
  273   2HB   TRP 557          1HB       TRP 557   6.272   7.277  -2.504
  274    HD1  TRP 557           HD       TRP 557   9.580   6.628  -3.498
  275    HE1  TRP 557           1HE      TRP 557  11.193   6.319  -1.515
  276    HE3  TRP 557           3HE      TRP 557   6.160   5.769   0.186
  277    HZ2  TRP 557           2HZ      TRP 557  11.031   5.782   1.255
  278    HZ3  TRP 557           3HZ      TRP 557   6.965   5.367   2.480
  279    HH2  TRP 557           HH       TRP 557   9.350   5.373   3.000
  280    H    ILE 558           H        ILE 558   4.479   3.687  -4.173
  281    HA   ILE 558           HA       ILE 558   2.258   5.598  -4.356
  282    HB   ILE 558           HB       ILE 558   3.274   4.018  -6.709
  283   1HG1  ILE 558          2HG1      ILE 558   4.883   5.785  -5.749
  284   2HG1  ILE 558          1HG1      ILE 558   4.487   5.892  -7.463
  285   1HG2  ILE 558          1HG2      ILE 558   1.329   6.310  -6.476
  286   2HG2  ILE 558          2HG2      ILE 558   0.938   4.632  -6.848
  287   3HG2  ILE 558          3HG2      ILE 558   1.877   5.592  -7.991
  288   1HD1  ILE 558          1HD1      ILE 558   3.617   7.921  -7.220
  289   2HD1  ILE 558          2HD1      ILE 558   4.355   7.928  -5.619
  290   3HD1  ILE 558          3HD1      ILE 558   2.672   7.437  -5.813
  291    H    ASP 559           H        ASP 559   0.210   4.715  -4.672
  292    HA   ASP 559           HA       ASP 559  -0.043   1.974  -3.765
  293   1HB   ASP 559          2HB       ASP 559  -2.318   3.848  -4.358
  294   2HB   ASP 559          1HB       ASP 559  -2.282   2.489  -3.238
  295    HA   PRO 560           HA       PRO 560  -0.419   0.602  -8.066
  296   1HB   PRO 560          2HB       PRO 560  -1.309  -1.937  -7.294
  297   2HB   PRO 560          1HB       PRO 560   0.364  -1.481  -7.620
  298   1HG   PRO 560          2HG       PRO 560  -1.050  -1.767  -5.017
  299   2HG   PRO 560          1HG       PRO 560   0.641  -2.078  -5.428
  300   1HD   PRO 560          2HD       PRO 560  -0.110   0.101  -4.056
  301   2HD   PRO 560          1HD       PRO 560   1.252   0.130  -5.190
  302    H    ARG 561           H        ARG 561  -2.782   0.248  -5.503
  303    HA   ARG 561           HA       ARG 561  -4.984  -0.461  -7.115
  304   1HB   ARG 561          2HB       ARG 561  -6.298   0.571  -5.125
  305   2HB   ARG 561          1HB       ARG 561  -5.354  -0.888  -4.873
  306   1HG   ARG 561          2HG       ARG 561  -3.636   0.306  -3.767
  307   2HG   ARG 561          1HG       ARG 561  -4.305   1.861  -4.264
  308   1HD   ARG 561          2HD       ARG 561  -6.414   0.754  -2.947
  309   2HD   ARG 561          1HD       ARG 561  -5.054   0.103  -2.039
  310    HE   ARG 561           HE       ARG 561  -4.932   2.938  -2.510
  311   1HH1  ARG 561          1HH1      ARG 561  -5.970   0.401  -0.357
  312   2HH1  ARG 561          2HH1      ARG 561  -6.086   1.445   1.018
  313   1HH2  ARG 561          1HH2      ARG 561  -5.107   4.314  -0.720
  314   2HH2  ARG 561          2HH2      ARG 561  -5.592   3.672   0.814
  315    H    ASN 562           H        ASN 562  -3.345   2.521  -6.679
  316    HA   ASN 562           HA       ASN 562  -5.414   3.859  -8.276
  317   1HB   ASN 562          2HB       ASN 562  -3.924   5.293  -6.081
  318   2HB   ASN 562          1HB       ASN 562  -5.339   5.840  -6.975
  319   1HD2  ASN 562          1HD2      ASN 562  -4.552   5.113  -4.051
  320   2HD2  ASN 562          2HD2      ASN 562  -5.939   4.247  -3.499
  321    H    GLY 563           H        GLY 563  -2.244   4.739  -6.886
  322   1HA   GLY 563          2HA       GLY 563  -0.277   4.684  -8.376
  323   2HA   GLY 563          1HA       GLY 563  -1.332   5.295  -9.641
  324    H    ARG 564           H        ARG 564  -1.061   6.330  -6.262
  325    HA   ARG 564           HA       ARG 564   0.009   8.905  -7.187
  326   1HB   ARG 564          2HB       ARG 564  -2.316   8.502  -5.301
  327   2HB   ARG 564          1HB       ARG 564  -1.492  10.037  -5.527
  328   1HG   ARG 564          2HG       ARG 564  -2.661  10.486  -7.356
  329   2HG   ARG 564          1HG       ARG 564  -2.306   8.905  -8.054
  330   1HD   ARG 564          2HD       ARG 564  -4.320   8.116  -7.515
  331   2HD   ARG 564          1HD       ARG 564  -4.194   8.723  -5.865
  332    HE   ARG 564           HE       ARG 564  -4.779  10.750  -7.827
  333   1HH1  ARG 564          1HH1      ARG 564  -6.104   8.368  -5.661
  334   2HH1  ARG 564          2HH1      ARG 564  -7.652   9.138  -5.554
  335   1HH2  ARG 564          1HH2      ARG 564  -6.814  11.772  -7.694
  336   2HH2  ARG 564          2HH2      ARG 564  -8.056  11.072  -6.710
  337    H    ALA 565           H        ALA 565   1.450   9.894  -5.833
  338    HA   ALA 565           HA       ALA 565   2.994   8.381  -4.116
  339   1HB   ALA 565          1HB       ALA 565   3.999  10.461  -3.380
  340   2HB   ALA 565          2HB       ALA 565   2.628  11.373  -4.010
  341   3HB   ALA 565          3HB       ALA 565   3.700  10.517  -5.117
  342    H    SER 566           H        SER 566   1.992   7.258  -2.515
  343    HA   SER 566           HA       SER 566  -0.089   8.186  -0.890
  344   1HB   SER 566          2HB       SER 566   0.070   5.910  -0.725
  345   2HB   SER 566          1HB       SER 566   1.832   5.919  -0.804
  346    HG   SER 566           HG       SER 566   0.151   6.386   1.413
  347   1H    THR 227          1HT       THR 227  15.984   9.806   0.490
  348   2H    THR 227          2HT       THR 227  14.691  10.612   1.223
  349   3H    THR 227          3HT       THR 227  14.921  10.729  -0.449
  350    HA   THR 227           HA       THR 227  13.124   9.151   0.471
  351    HB   THR 227           HB       THR 227  13.589   7.528  -1.387
  352    HG1  THR 227           1HG      THR 227  15.916   9.146  -1.717
  353   1HG2  THR 227          1HG2      THR 227  13.452  10.473  -1.696
  354   2HG2  THR 227          2HG2      THR 227  12.332   9.223  -2.239
  355   3HG2  THR 227          3HG2      THR 227  13.815   9.533  -3.143
  356    H    GLY 228           H        GLY 228  12.736   7.250   1.507
  357   1HA   GLY 228          2HA       GLY 228  14.890   5.375   2.017
  358   2HA   GLY 228          1HA       GLY 228  14.307   6.232   3.437
  359    H    LEU 229           H        LEU 229  13.275   4.144   0.770
  360    HA   LEU 229           HA       LEU 229  10.850   3.423   2.202
  361   1HB   LEU 229          2HB       LEU 229  10.691   3.792  -0.192
  362   2HB   LEU 229          1HB       LEU 229  11.917   2.576  -0.488
  363    HG   LEU 229           HG       LEU 229  10.443   0.821   0.258
  364   1HD1  LEU 229          1HD1      LEU 229   8.893   3.087   1.304
  365   2HD1  LEU 229          2HD1      LEU 229   9.035   1.433   1.899
  366   3HD1  LEU 229          3HD1      LEU 229   7.942   1.799   0.565
  367   1HD2  LEU 229          1HD2      LEU 229   9.713   2.660  -1.898
  368   2HD2  LEU 229          2HD2      LEU 229   8.402   1.607  -1.367
  369   3HD2  LEU 229          3HD2      LEU 229   9.925   0.910  -1.920
  370    HA   PRO 230           HA       PRO 230  13.061   0.186   4.478
  371   1HB   PRO 230          2HB       PRO 230  10.205  -0.738   4.463
  372   2HB   PRO 230          1HB       PRO 230  11.380  -0.763   5.784
  373   1HG   PRO 230          2HG       PRO 230   9.517   1.136   5.662
  374   2HG   PRO 230          1HG       PRO 230  11.167   1.509   6.195
  375   1HD   PRO 230          2HD       PRO 230   9.803   2.200   3.658
  376   2HD   PRO 230          1HD       PRO 230  11.147   3.017   4.478
  377    H    SER 231           H        SER 231  10.699  -0.335   1.905
  378    HA   SER 231           HA       SER 231  10.646  -1.795   0.162
  379   1HB   SER 231          2HB       SER 231  13.170  -1.224   0.169
  380   2HB   SER 231          1HB       SER 231  13.376  -2.808   0.916
  381    HG   SER 231           HG       SER 231  13.539  -2.850  -1.388
  382    H    TYR 232           H        TYR 232   9.462  -2.566   2.532
  383    HA   TYR 232           HA       TYR 232   8.667  -4.368   3.681
  384   1HB   TYR 232          2HB       TYR 232   8.040  -4.867   1.280
  385   2HB   TYR 232          1HB       TYR 232   9.438  -5.928   1.217
  386    HD1  TYR 232           1HD      TYR 232   7.061  -7.187   0.519
  387    HD2  TYR 232           2HD      TYR 232   8.436  -6.338   4.455
  388    HE1  TYR 232           1HE      TYR 232   5.686  -9.029   1.391
  389    HE2  TYR 232           2HE      TYR 232   7.067  -8.179   5.336
  390    HH   TYR 232           HH       TYR 232   6.094 -10.408   4.305
  391    H    ASP 233           H        ASP 233  10.702  -4.025   4.995
  392    HA   ASP 233           HA       ASP 233  11.789  -6.508   5.710
  393   1HB   ASP 233          2HB       ASP 233  13.038  -6.034   3.530
  394   2HB   ASP 233          1HB       ASP 233  13.848  -4.735   4.400
  395    H    GLU 234           H        GLU 234  12.254  -3.011   5.650
  396    HA   GLU 234           HA       GLU 234  13.404  -3.094   8.340
  397   1HB   GLU 234          2HB       GLU 234  13.002  -0.551   6.820
  398   2HB   GLU 234          1HB       GLU 234  14.261  -0.975   7.969
  399   1HG   GLU 234          2HG       GLU 234  14.007  -1.929   5.129
  400   2HG   GLU 234          1HG       GLU 234  15.211  -0.817   5.777
  401    H    ALA 235           H        ALA 235  10.478  -2.350   6.674
  402    HA   ALA 235           HA       ALA 235   9.361  -1.185   9.140
  403   1HB   ALA 235          1HB       ALA 235   9.060   0.485   7.582
  404   2HB   ALA 235          2HB       ALA 235   7.534  -0.391   7.454
  405   3HB   ALA 235          3HB       ALA 235   8.804  -0.650   6.257
  406    H    LEU 236           H        LEU 236   9.078  -3.394   9.909
  407    HA   LEU 236           HA       LEU 236   6.453  -4.327   9.562
  408   1HB   LEU 236          2HB       LEU 236   7.817  -5.097   7.428
  409   2HB   LEU 236          1HB       LEU 236   8.352  -6.368   8.512
  410    HG   LEU 236           HG       LEU 236   5.577  -6.298   8.824
  411   1HD1  LEU 236          1HD1      LEU 236   4.790  -6.594   6.492
  412   2HD1  LEU 236          2HD1      LEU 236   6.355  -6.011   5.928
  413   3HD1  LEU 236          3HD1      LEU 236   5.302  -4.947   6.859
  414   1HD2  LEU 236          1HD2      LEU 236   7.442  -8.099   7.299
  415   2HD2  LEU 236          2HD2      LEU 236   5.731  -8.460   7.525
  416   3HD2  LEU 236          3HD2      LEU 236   6.796  -8.320   8.924
  417    H    HIS 237           H        HIS 237   6.921  -3.988  11.863
  418    HA   HIS 237           HA       HIS 237   7.568  -6.492  13.135
  419   1HB   HIS 237          2HB       HIS 237   9.376  -4.115  13.325
  420   2HB   HIS 237          1HB       HIS 237   9.168  -5.143  14.738
  421    HD1  HIS 237           1HD      HIS 237   9.189  -7.908  13.482
  422    HD2  HIS 237           2HD      HIS 237  11.792  -4.869  12.362
  423    HE1  HIS 237           1HE      HIS 237  11.171  -9.066  12.458
  424    HE2  HIS 237           2HE      HIS 237  12.691  -7.204  11.702
  Start of MODEL   12
    1   1H    GLY 521          1HT       GLY 521 -18.052  16.575  13.637
    2   2H    GLY 521          2HT       GLY 521 -16.516  17.280  13.575
    3   3H    GLY 521          3HT       GLY 521 -16.719  15.758  14.283
    4   1HA   GLY 521          2HA       GLY 521 -17.452  16.181  11.464
    5   2HA   GLY 521          1HA       GLY 521 -17.024  14.684  12.276
    6    HA   PRO 522           HA       PRO 522 -12.539  15.558  12.101
    7   1HB   PRO 522          2HB       PRO 522 -12.725  12.917  10.735
    8   2HB   PRO 522          1HB       PRO 522 -11.617  13.453  12.002
    9   1HG   PRO 522          2HG       PRO 522 -13.646  11.820  12.565
   10   2HG   PRO 522          1HG       PRO 522 -13.166  13.105  13.690
   11   1HD   PRO 522          2HD       PRO 522 -15.502  12.979  11.840
   12   2HD   PRO 522          1HD       PRO 522 -15.377  13.706  13.454
   13    H    LEU 523           H        LEU 523 -10.983  15.092  10.122
   14    HA   LEU 523           HA       LEU 523 -12.267  16.342   7.814
   15   1HB   LEU 523          2HB       LEU 523 -10.103  17.180   8.929
   16   2HB   LEU 523          1HB       LEU 523  -9.322  15.830   8.127
   17    HG   LEU 523           HG       LEU 523 -10.514  16.886   5.995
   18   1HD1  LEU 523          1HD1      LEU 523 -10.366  19.098   8.004
   19   2HD1  LEU 523          2HD1      LEU 523 -11.661  18.695   6.876
   20   3HD1  LEU 523          3HD1      LEU 523 -10.171  19.430   6.282
   21   1HD2  LEU 523          1HD2      LEU 523  -7.953  16.719   6.956
   22   2HD2  LEU 523          2HD2      LEU 523  -8.149  18.450   6.680
   23   3HD2  LEU 523          3HD2      LEU 523  -8.413  17.311   5.360
   24    H    GLY 524           H        GLY 524 -13.289  14.681   6.752
   25   1HA   GLY 524          2HA       GLY 524 -11.489  12.682   5.546
   26   2HA   GLY 524          1HA       GLY 524 -13.026  12.189   6.241
   27    H    SER 525           H        SER 525 -14.301  11.628   4.603
   28    HA   SER 525           HA       SER 525 -15.465  11.696   2.649
   29   1HB   SER 525          2HB       SER 525 -16.238  13.841   3.808
   30   2HB   SER 525          1HB       SER 525 -15.132  14.694   2.731
   31    HG   SER 525           HG       SER 525 -17.252  14.580   1.875
   32    H    GLY 526           H        GLY 526 -12.842  11.106   2.269
   33   1HA   GLY 526          2HA       GLY 526 -12.022  12.728  -0.052
   34   2HA   GLY 526          1HA       GLY 526 -10.944  11.723   0.906
   35    H    GLU 527           H        GLU 527 -10.181  10.586  -0.881
   36    HA   GLU 527           HA       GLU 527 -12.088   8.623  -1.951
   37   1HB   GLU 527          2HB       GLU 527 -10.534  10.608  -3.423
   38   2HB   GLU 527          1HB       GLU 527 -10.257   8.968  -3.996
   39   1HG   GLU 527          2HG       GLU 527 -13.015  10.087  -3.624
   40   2HG   GLU 527          1HG       GLU 527 -12.102  10.300  -5.117
   41    H    GLU 528           H        GLU 528 -11.285   7.075  -0.503
   42    HA   GLU 528           HA       GLU 528  -8.551   6.151  -1.108
   43   1HB   GLU 528          2HB       GLU 528  -8.634   7.059   1.151
   44   2HB   GLU 528          1HB       GLU 528 -10.011   6.037   1.537
   45   1HG   GLU 528          2HG       GLU 528  -8.039   4.288   0.635
   46   2HG   GLU 528          1HG       GLU 528  -7.200   5.452   1.660
   47    H    GLU 529           H        GLU 529  -8.372   4.121  -1.822
   48    HA   GLU 529           HA       GLU 529 -10.750   2.400  -1.654
   49   1HB   GLU 529          2HB       GLU 529  -8.701   1.558  -3.559
   50   2HB   GLU 529          1HB       GLU 529 -10.432   1.741  -3.782
   51   1HG   GLU 529          2HG       GLU 529 -10.042   4.208  -3.981
   52   2HG   GLU 529          1HG       GLU 529  -8.322   3.843  -3.997
   53    HA   PRO 530           HA       PRO 530  -8.401  -0.735   0.405
   54   1HB   PRO 530          2HB       PRO 530  -9.023  -3.052  -0.767
   55   2HB   PRO 530          1HB       PRO 530 -10.258  -2.072   0.034
   56   1HG   PRO 530          2HG       PRO 530  -9.654  -2.349  -2.880
   57   2HG   PRO 530          1HG       PRO 530 -11.225  -2.244  -2.065
   58   1HD   PRO 530          2HD       PRO 530  -9.930  -0.131  -3.316
   59   2HD   PRO 530          1HD       PRO 530 -11.200   0.035  -2.085
   60    H    LEU 531           H        LEU 531  -6.865  -2.661   0.178
   61    HA   LEU 531           HA       LEU 531  -4.796  -1.929  -1.745
   62   1HB   LEU 531          2HB       LEU 531  -4.344  -4.075   0.252
   63   2HB   LEU 531          1HB       LEU 531  -3.259  -2.813  -0.302
   64    HG   LEU 531           HG       LEU 531  -5.540  -2.442   1.641
   65   1HD1  LEU 531          1HD1      LEU 531  -3.986  -2.375   3.355
   66   2HD1  LEU 531          2HD1      LEU 531  -2.633  -2.107   2.256
   67   3HD1  LEU 531          3HD1      LEU 531  -3.395  -3.696   2.346
   68   1HD2  LEU 531          1HD2      LEU 531  -5.130  -0.472   0.225
   69   2HD2  LEU 531          2HD2      LEU 531  -3.438  -0.483   0.725
   70   3HD2  LEU 531          3HD2      LEU 531  -4.708  -0.185   1.913
   71    HA   PRO 532           HA       PRO 532  -6.130  -5.135  -4.590
   72   1HB   PRO 532          2HB       PRO 532  -3.194  -4.876  -5.188
   73   2HB   PRO 532          1HB       PRO 532  -4.551  -5.030  -6.312
   74   1HG   PRO 532          2HG       PRO 532  -3.544  -2.657  -5.913
   75   2HG   PRO 532          1HG       PRO 532  -5.305  -2.852  -5.893
   76   1HD   PRO 532          2HD       PRO 532  -3.416  -2.518  -3.596
   77   2HD   PRO 532          1HD       PRO 532  -5.045  -1.847  -3.823
   78    HA   PRO 533           HA       PRO 533  -5.275  -9.268  -3.383
   79   1HB   PRO 533          2HB       PRO 533  -3.252  -9.430  -5.567
   80   2HB   PRO 533          1HB       PRO 533  -4.477 -10.610  -5.084
   81   1HG   PRO 533          2HG       PRO 533  -4.848  -8.967  -7.174
   82   2HG   PRO 533          1HG       PRO 533  -6.186  -9.468  -6.124
   83   1HD   PRO 533          2HD       PRO 533  -4.902  -6.850  -6.393
   84   2HD   PRO 533          1HD       PRO 533  -6.476  -7.253  -5.692
   85    H    ARG 534           H        ARG 534  -2.165  -8.114  -4.549
   86    HA   ARG 534           HA       ARG 534  -0.994  -8.986  -1.990
   87   1HB   ARG 534          2HB       ARG 534   0.241  -8.938  -4.744
   88   2HB   ARG 534          1HB       ARG 534   1.130  -9.294  -3.270
   89   1HG   ARG 534          2HG       ARG 534  -1.302 -10.883  -3.947
   90   2HG   ARG 534          1HG       ARG 534   0.229 -11.227  -4.755
   91   1HD   ARG 534          2HD       ARG 534   0.228 -10.966  -1.794
   92   2HD   ARG 534          1HD       ARG 534  -0.463 -12.427  -2.499
   93    HE   ARG 534           HE       ARG 534   2.127 -11.772  -3.547
   94   1HH1  ARG 534          1HH1      ARG 534   0.415 -13.357  -0.963
   95   2HH1  ARG 534          2HH1      ARG 534   1.720 -14.430  -0.581
   96   1HH2  ARG 534          1HH2      ARG 534   3.853 -13.177  -3.053
   97   2HH2  ARG 534          2HH2      ARG 534   3.676 -14.328  -1.769
   98    H    TRP 535           H        TRP 535  -1.704  -6.741  -1.373
   99    HA   TRP 535           HA       TRP 535   0.605  -5.037  -1.521
  100   1HB   TRP 535          2HB       TRP 535  -1.990  -4.251  -2.822
  101   2HB   TRP 535          1HB       TRP 535  -0.803  -3.060  -2.296
  102    HD1  TRP 535           HD       TRP 535  -1.450  -5.637  -5.010
  103    HE1  TRP 535           1HE      TRP 535   0.365  -5.426  -6.818
  104    HE3  TRP 535           3HE      TRP 535   1.696  -2.424  -2.607
  105    HZ2  TRP 535           2HZ      TRP 535   2.823  -4.067  -7.172
  106    HZ3  TRP 535           3HZ      TRP 535   3.764  -1.715  -3.741
  107    HH2  TRP 535           HH       TRP 535   4.313  -2.524  -5.977
  108    H    SER 536           H        SER 536   0.896  -4.053   0.346
  109    HA   SER 536           HA       SER 536  -1.417  -3.736   2.144
  110   1HB   SER 536          2HB       SER 536   1.343  -4.751   2.625
  111   2HB   SER 536          1HB       SER 536   0.571  -3.839   3.913
  112    HG   SER 536           HG       SER 536  -0.921  -5.378   4.139
  113    H    MET 537           H        MET 537  -0.432  -2.212   4.092
  114    HA   MET 537           HA       MET 537   0.743   0.153   2.811
  115   1HB   MET 537          2HB       MET 537  -1.724   0.074   4.548
  116   2HB   MET 537          1HB       MET 537  -0.855   1.554   4.161
  117   1HG   MET 537          2HG       MET 537  -1.215   0.724   1.693
  118   2HG   MET 537          1HG       MET 537  -2.544  -0.169   2.428
  119   1HE   MET 537          1HE       MET 537  -4.315   0.699   3.717
  120   2HE   MET 537          2HE       MET 537  -5.097   2.256   3.442
  121   3HE   MET 537          3HE       MET 537  -3.847   2.102   4.676
  122    H    GLN 538           H        GLN 538   2.048   1.413   4.122
  123    HA   GLN 538           HA       GLN 538   2.236   0.986   6.947
  124   1HB   GLN 538          2HB       GLN 538   3.431  -1.009   5.993
  125   2HB   GLN 538          1HB       GLN 538   4.595   0.101   5.280
  126   1HG   GLN 538          2HG       GLN 538   5.707  -0.408   7.182
  127   2HG   GLN 538          1HG       GLN 538   4.758   0.953   7.779
  128   1HE2  GLN 538          1HE2      GLN 538   4.361  -2.544   7.293
  129   2HE2  GLN 538          2HE2      GLN 538   3.628  -2.846   8.828
  130    H    VAL 539           H        VAL 539   2.930   2.807   7.868
  131    HA   VAL 539           HA       VAL 539   3.836   4.979   6.206
  132    HB   VAL 539           HB       VAL 539   2.275   5.423   8.035
  133   1HG1  VAL 539          1HG1      VAL 539   4.226   5.224  10.192
  134   2HG1  VAL 539          2HG1      VAL 539   3.801   3.664   9.487
  135   3HG1  VAL 539          3HG1      VAL 539   2.540   4.712  10.137
  136   1HG2  VAL 539          1HG2      VAL 539   4.845   6.751   8.813
  137   2HG2  VAL 539          2HG2      VAL 539   3.219   7.430   8.734
  138   3HG2  VAL 539          3HG2      VAL 539   4.099   7.072   7.248
  139    H    ALA 540           H        ALA 540   5.855   5.657   5.907
  140    HA   ALA 540           HA       ALA 540   7.999   4.281   7.366
  141   1HB   ALA 540          1HB       ALA 540   7.673   5.244   4.628
  142   2HB   ALA 540          2HB       ALA 540   8.708   3.968   5.269
  143   3HB   ALA 540          3HB       ALA 540   9.233   5.650   5.346
  144    HA   PRO 541           HA       PRO 541   9.400   7.874   9.495
  145   1HB   PRO 541          2HB       PRO 541  12.160   7.410   8.586
  146   2HB   PRO 541          1HB       PRO 541  11.496   7.348  10.220
  147   1HG   PRO 541          2HG       PRO 541  12.259   5.127   8.903
  148   2HG   PRO 541          1HG       PRO 541  10.897   5.133  10.037
  149   1HD   PRO 541          2HD       PRO 541  10.871   5.180   7.044
  150   2HD   PRO 541          1HD       PRO 541   9.806   4.312   8.170
  151    H    ASN 542           H        ASN 542  10.348   7.395   6.181
  152    HA   ASN 542           HA       ASN 542  11.582   9.752   5.506
  153   1HB   ASN 542          2HB       ASN 542  11.196   7.824   3.980
  154   2HB   ASN 542          1HB       ASN 542   9.507   8.301   3.849
  155   1HD2  ASN 542          1HD2      ASN 542   9.928   8.421   1.577
  156   2HD2  ASN 542          2HD2      ASN 542  10.656   9.837   0.910
  157    H    GLY 543           H        GLY 543   8.265   9.209   6.366
  158   1HA   GLY 543          2HA       GLY 543   7.087  11.181   7.235
  159   2HA   GLY 543          1HA       GLY 543   7.724  12.068   5.859
  160    H    ARG 544           H        ARG 544   7.046   9.253   4.465
  161    HA   ARG 544           HA       ARG 544   4.185   9.830   4.118
  162   1HB   ARG 544          2HB       ARG 544   4.496   9.300   1.669
  163   2HB   ARG 544          1HB       ARG 544   5.175  10.829   2.208
  164   1HG   ARG 544          2HG       ARG 544   6.896   8.394   2.115
  165   2HG   ARG 544          1HG       ARG 544   6.540   9.284   0.634
  166   1HD   ARG 544          2HD       ARG 544   7.240  11.166   2.638
  167   2HD   ARG 544          1HD       ARG 544   8.448   9.882   2.659
  168    HE   ARG 544           HE       ARG 544   7.998  10.633   0.000
  169   1HH1  ARG 544          1HH1      ARG 544   9.347  11.932   2.936
  170   2HH1  ARG 544          2HH1      ARG 544  10.466  12.970   2.116
  171   1HH2  ARG 544          1HH2      ARG 544   9.467  11.995  -1.090
  172   2HH2  ARG 544          2HH2      ARG 544  10.534  13.006  -0.174
  173    H    THR 545           H        THR 545   2.917   8.063   3.309
  174    HA   THR 545           HA       THR 545   3.845   5.526   4.350
  175    HB   THR 545           HB       THR 545   1.443   4.875   3.389
  176    HG1  THR 545           1HG      THR 545   1.178   7.024   2.480
  177   1HG2  THR 545          1HG2      THR 545   2.098   6.373   5.918
  178   2HG2  THR 545          2HG2      THR 545   1.910   4.634   5.693
  179   3HG2  THR 545          3HG2      THR 545   0.500   5.691   5.609
  180    H    PHE 546           H        PHE 546   4.031   3.624   3.179
  181    HA   PHE 546           HA       PHE 546   4.163   3.978   0.263
  182   1HB   PHE 546          2HB       PHE 546   5.937   2.154   0.374
  183   2HB   PHE 546          1HB       PHE 546   6.397   3.741   0.977
  184    HD1  PHE 546           1HD      PHE 546   6.239   0.274   1.686
  185    HD2  PHE 546           2HD      PHE 546   6.199   4.118   3.519
  186    HE1  PHE 546           1HE      PHE 546   6.905  -0.743   3.824
  187    HE2  PHE 546           2HE      PHE 546   6.865   3.104   5.661
  188    HZ   PHE 546           HZ       PHE 546   7.220   0.672   5.815
  189    H    PHE 547           H        PHE 547   4.423   1.525  -0.667
  190    HA   PHE 547           HA       PHE 547   2.189  -0.015   0.468
  191   1HB   PHE 547          2HB       PHE 547   2.462   1.148  -2.174
  192   2HB   PHE 547          1HB       PHE 547   2.239  -0.596  -2.265
  193    HD1  PHE 547           1HD      PHE 547   0.087  -1.352  -2.416
  194    HD2  PHE 547           2HD      PHE 547   0.826   2.315  -0.394
  195    HE1  PHE 547           1HE      PHE 547  -2.330  -1.069  -2.061
  196    HE2  PHE 547           2HE      PHE 547  -1.590   2.607  -0.033
  197    HZ   PHE 547           HZ       PHE 547  -3.172   0.913  -0.867
  198    H    ILE 548           H        ILE 548   2.608  -2.079   0.859
  199    HA   ILE 548           HA       ILE 548   5.225  -3.122   0.141
  200    HB   ILE 548           HB       ILE 548   3.082  -4.145   1.992
  201   1HG1  ILE 548          2HG1      ILE 548   5.442  -3.678   3.384
  202   2HG1  ILE 548          1HG1      ILE 548   5.331  -2.330   2.256
  203   1HG2  ILE 548          1HG2      ILE 548   5.801  -5.301   1.390
  204   2HG2  ILE 548          2HG2      ILE 548   4.236  -6.067   1.125
  205   3HG2  ILE 548          3HG2      ILE 548   4.805  -5.770   2.768
  206   1HD1  ILE 548          1HD1      ILE 548   4.283  -2.082   4.580
  207   2HD1  ILE 548          2HD1      ILE 548   2.997  -3.115   3.955
  208   3HD1  ILE 548          3HD1      ILE 548   3.343  -1.569   3.180
  209    H    ASP 549           H        ASP 549   5.483  -4.289  -1.635
  210    HA   ASP 549           HA       ASP 549   3.198  -5.575  -2.898
  211   1HB   ASP 549          2HB       ASP 549   4.965  -4.203  -4.143
  212   2HB   ASP 549          1HB       ASP 549   6.040  -5.577  -3.906
  213    H    HIS 550           H        HIS 550   2.725  -7.381  -1.709
  214    HA   HIS 550           HA       HIS 550   4.596  -9.155  -0.601
  215   1HB   HIS 550          2HB       HIS 550   1.725  -9.613  -1.432
  216   2HB   HIS 550          1HB       HIS 550   2.674 -10.749  -0.479
  217    HD2  HIS 550           2HD      HIS 550   1.690  -6.936  -0.053
  218    HE1  HIS 550           1HE      HIS 550   1.558  -8.933   3.676
  219    HE2  HIS 550           2HE      HIS 550   1.360  -6.692   2.508
  220    H    ALA 551           H        ALA 551   3.156  -8.973  -3.787
  221    HA   ALA 551           HA       ALA 551   3.730 -11.526  -4.741
  222   1HB   ALA 551          1HB       ALA 551   2.673 -10.660  -6.487
  223   2HB   ALA 551          2HB       ALA 551   4.115  -9.722  -6.876
  224   3HB   ALA 551          3HB       ALA 551   2.871  -9.035  -5.832
  225    H    SER 552           H        SER 552   5.723  -8.580  -4.916
  226    HA   SER 552           HA       SER 552   7.991 -10.202  -5.809
  227   1HB   SER 552          2HB       SER 552   7.090  -7.670  -6.551
  228   2HB   SER 552          1HB       SER 552   8.526  -7.360  -5.575
  229    HG   SER 552           HG       SER 552   9.736  -8.212  -7.083
  230    H    ARG 553           H        ARG 553   6.735  -9.064  -2.925
  231    HA   ARG 553           HA       ARG 553   7.558  -8.960  -0.809
  232   1HB   ARG 553          2HB       ARG 553  10.021 -10.203  -2.047
  233   2HB   ARG 553          1HB       ARG 553   9.709 -10.065  -0.325
  234   1HG   ARG 553          2HG       ARG 553   8.015 -11.616  -2.270
  235   2HG   ARG 553          1HG       ARG 553   9.236 -12.307  -1.199
  236   1HD   ARG 553          2HD       ARG 553   7.862 -11.071   0.657
  237   2HD   ARG 553          1HD       ARG 553   6.571 -11.137  -0.542
  238    HE   ARG 553           HE       ARG 553   6.353 -13.366  -0.110
  239   1HH1  ARG 553          1HH1      ARG 553   9.468 -12.306   1.029
  240   2HH1  ARG 553          2HH1      ARG 553   9.852 -13.819   1.782
  241   1HH2  ARG 553          1HH2      ARG 553   6.849 -15.363   0.876
  242   2HH2  ARG 553          2HH2      ARG 553   8.364 -15.556   1.694
  243    H    ARG 554           H        ARG 554   7.605  -6.628  -2.148
  244    HA   ARG 554           HA       ARG 554   9.976  -5.333  -1.035
  245   1HB   ARG 554          2HB       ARG 554   9.016  -4.620  -3.800
  246   2HB   ARG 554          1HB       ARG 554  10.506  -4.128  -3.005
  247   1HG   ARG 554          2HG       ARG 554  11.452  -6.284  -3.241
  248   2HG   ARG 554          1HG       ARG 554   9.905  -6.984  -3.721
  249   1HD   ARG 554          2HD       ARG 554  10.746  -6.736  -5.799
  250   2HD   ARG 554          1HD       ARG 554  10.162  -5.084  -5.607
  251    HE   ARG 554           HE       ARG 554  12.335  -4.357  -5.519
  252   1HH1  ARG 554          1HH1      ARG 554  12.257  -7.817  -5.134
  253   2HH1  ARG 554          2HH1      ARG 554  13.975  -7.999  -5.256
  254   1HH2  ARG 554          1HH2      ARG 554  14.598  -4.585  -5.685
  255   2HH2  ARG 554          2HH2      ARG 554  15.305  -6.162  -5.569
  256    H    THR 555           H        THR 555   9.443  -2.774  -2.055
  257    HA   THR 555           HA       THR 555   6.708  -2.140  -1.266
  258    HB   THR 555           HB       THR 555   7.492  -0.343   0.276
  259    HG1  THR 555           1HG      THR 555   9.972  -1.549  -0.326
  260   1HG2  THR 555          1HG2      THR 555   7.048  -2.980   0.810
  261   2HG2  THR 555          2HG2      THR 555   7.272  -1.731   2.033
  262   3HG2  THR 555          3HG2      THR 555   8.636  -2.732   1.537
  263    H    THR 556           H        THR 556   6.082   0.047  -1.799
  264    HA   THR 556           HA       THR 556   7.893   1.550  -3.516
  265    HB   THR 556           HB       THR 556   6.697  -0.015  -5.035
  266    HG1  THR 556           1HG      THR 556   7.203   1.749  -6.153
  267   1HG2  THR 556          1HG2      THR 556   4.479   0.624  -3.459
  268   2HG2  THR 556          2HG2      THR 556   4.494  -0.352  -4.929
  269   3HG2  THR 556          3HG2      THR 556   4.168   1.379  -5.023
  270    H    TRP 557           H        TRP 557   6.954   3.672  -4.143
  271    HA   TRP 557           HA       TRP 557   5.496   4.787  -1.877
  272   1HB   TRP 557          2HB       TRP 557   7.045   6.019  -4.148
  273   2HB   TRP 557          1HB       TRP 557   6.100   6.982  -3.019
  274    HD1  TRP 557           HD       TRP 557   9.518   6.131  -3.527
  275    HE1  TRP 557           1HE      TRP 557  10.875   6.155  -1.339
  276    HE3  TRP 557           3HE      TRP 557   5.658   6.019  -0.193
  277    HZ2  TRP 557           2HZ      TRP 557  10.368   6.132   1.441
  278    HZ3  TRP 557           3HZ      TRP 557   6.176   6.024   2.217
  279    HH2  TRP 557           HH       TRP 557   8.483   6.077   3.014
  280    H    ILE 558           H        ILE 558   4.318   3.220  -4.270
  281    HA   ILE 558           HA       ILE 558   2.181   5.162  -4.809
  282    HB   ILE 558           HB       ILE 558   3.190   3.225  -6.880
  283   1HG1  ILE 558          2HG1      ILE 558   4.871   5.020  -6.132
  284   2HG1  ILE 558          1HG1      ILE 558   4.512   4.920  -7.855
  285   1HG2  ILE 558          1HG2      ILE 558   1.403   5.645  -7.087
  286   2HG2  ILE 558          2HG2      ILE 558   0.877   3.962  -7.137
  287   3HG2  ILE 558          3HG2      ILE 558   1.899   4.605  -8.423
  288   1HD1  ILE 558          1HD1      ILE 558   3.202   6.868  -7.795
  289   2HD1  ILE 558          2HD1      ILE 558   4.638   7.229  -6.837
  290   3HD1  ILE 558          3HD1      ILE 558   3.114   6.851  -6.034
  291    H    ASP 559           H        ASP 559   0.110   4.315  -5.040
  292    HA   ASP 559           HA       ASP 559  -0.190   1.584  -4.018
  293   1HB   ASP 559          2HB       ASP 559  -2.575   2.378  -3.556
  294   2HB   ASP 559          1HB       ASP 559  -1.294   3.083  -2.579
  295    HA   PRO 560           HA       PRO 560  -1.347   0.447  -8.212
  296   1HB   PRO 560          2HB       PRO 560  -2.430  -2.005  -7.447
  297   2HB   PRO 560          1HB       PRO 560  -0.754  -1.717  -7.917
  298   1HG   PRO 560          2HG       PRO 560  -1.940  -1.980  -5.200
  299   2HG   PRO 560          1HG       PRO 560  -0.346  -2.456  -5.791
  300   1HD   PRO 560          2HD       PRO 560  -0.728  -0.265  -4.264
  301   2HD   PRO 560          1HD       PRO 560   0.541  -0.355  -5.501
  302    H    ARG 561           H        ARG 561  -3.465   0.444  -5.427
  303    HA   ARG 561           HA       ARG 561  -5.894  -0.207  -6.536
  304   1HB   ARG 561          2HB       ARG 561  -6.829   1.523  -4.861
  305   2HB   ARG 561          1HB       ARG 561  -5.932   0.147  -4.237
  306   1HG   ARG 561          2HG       ARG 561  -4.254   1.422  -3.462
  307   2HG   ARG 561          1HG       ARG 561  -4.332   2.545  -4.820
  308   1HD   ARG 561          2HD       ARG 561  -5.357   3.994  -3.484
  309   2HD   ARG 561          1HD       ARG 561  -6.727   2.886  -3.410
  310    HE   ARG 561           HE       ARG 561  -5.060   1.907  -1.528
  311   1HH1  ARG 561          1HH1      ARG 561  -6.316   5.094  -2.157
  312   2HH1  ARG 561          2HH1      ARG 561  -6.290   5.574  -0.493
  313   1HH2  ARG 561          1HH2      ARG 561  -5.022   2.529   0.667
  314   2HH2  ARG 561          2HH2      ARG 561  -5.554   4.116   1.112
  315    H    ASN 562           H        ASN 562  -4.153   2.852  -6.763
  316    HA   ASN 562           HA       ASN 562  -5.817   3.589  -9.027
  317   1HB   ASN 562          2HB       ASN 562  -5.891   5.999  -7.906
  318   2HB   ASN 562          1HB       ASN 562  -7.144   4.801  -7.605
  319   1HD2  ASN 562          1HD2      ASN 562  -3.859   5.249  -6.339
  320   2HD2  ASN 562          2HD2      ASN 562  -4.321   5.274  -4.675
  321    H    GLY 563           H        GLY 563  -2.934   2.930  -8.313
  322   1HA   GLY 563          2HA       GLY 563  -0.811   3.690  -8.799
  323   2HA   GLY 563          1HA       GLY 563  -1.602   4.322 -10.234
  324    H    ARG 564           H        ARG 564  -1.423   5.199  -6.776
  325    HA   ARG 564           HA       ARG 564  -0.431   7.835  -7.547
  326   1HB   ARG 564          2HB       ARG 564  -3.038   7.283  -6.200
  327   2HB   ARG 564          1HB       ARG 564  -2.126   8.701  -5.701
  328   1HG   ARG 564          2HG       ARG 564  -2.307   9.707  -7.793
  329   2HG   ARG 564          1HG       ARG 564  -2.723   8.187  -8.590
  330   1HD   ARG 564          2HD       ARG 564  -4.657   8.677  -6.572
  331   2HD   ARG 564          1HD       ARG 564  -4.457  10.163  -7.500
  332    HE   ARG 564           HE       ARG 564  -4.753   7.800  -9.117
  333   1HH1  ARG 564          1HH1      ARG 564  -6.409  10.360  -7.434
  334   2HH1  ARG 564          2HH1      ARG 564  -7.839  10.249  -8.404
  335   1HH2  ARG 564          1HH2      ARG 564  -6.631   7.645 -10.401
  336   2HH2  ARG 564          2HH2      ARG 564  -7.966   8.704 -10.092
  337    H    ALA 565           H        ALA 565   0.128   9.131  -5.502
  338    HA   ALA 565           HA       ALA 565   1.897   7.536  -3.936
  339   1HB   ALA 565          1HB       ALA 565   2.890   9.479  -3.458
  340   2HB   ALA 565          2HB       ALA 565   1.384  10.215  -2.907
  341   3HB   ALA 565          3HB       ALA 565   1.778  10.190  -4.626
  342    H    SER 566           H        SER 566   1.357   6.358  -2.235
  343    HA   SER 566           HA       SER 566  -1.148   6.385  -0.993
  344   1HB   SER 566          2HB       SER 566   0.652   4.541  -0.983
  345   2HB   SER 566          1HB       SER 566   1.352   5.413   0.381
  346    HG   SER 566           HG       SER 566  -0.906   5.264   1.257
  347   1H    THR 227          1HT       THR 227  16.114   8.593   0.192
  348   2H    THR 227          2HT       THR 227  15.725   8.920  -1.421
  349   3H    THR 227          3HT       THR 227  16.654   7.562  -1.034
  350    HA   THR 227           HA       THR 227  13.781   8.023  -0.591
  351    HB   THR 227           HB       THR 227  13.441   6.058  -1.818
  352    HG1  THR 227           1HG      THR 227  16.105   5.478  -1.094
  353   1HG2  THR 227          1HG2      THR 227  15.927   6.965  -3.214
  354   2HG2  THR 227          2HG2      THR 227  14.559   8.067  -3.059
  355   3HG2  THR 227          3HG2      THR 227  14.359   6.525  -3.891
  356    H    GLY 228           H        GLY 228  12.834   7.310   1.207
  357   1HA   GLY 228          2HA       GLY 228  14.440   5.669   3.045
  358   2HA   GLY 228          1HA       GLY 228  13.102   6.702   3.514
  359    H    LEU 229           H        LEU 229  12.223   5.066   0.740
  360    HA   LEU 229           HA       LEU 229  10.144   3.657   1.828
  361   1HB   LEU 229          2HB       LEU 229  10.382   4.048  -0.558
  362   2HB   LEU 229          1HB       LEU 229  11.761   2.967  -0.622
  363    HG   LEU 229           HG       LEU 229   9.911   1.279   0.378
  364   1HD1  LEU 229          1HD1      LEU 229   8.102   2.869   0.333
  365   2HD1  LEU 229          2HD1      LEU 229   7.821   1.632  -0.891
  366   3HD1  LEU 229          3HD1      LEU 229   8.409   3.225  -1.367
  367   1HD2  LEU 229          1HD2      LEU 229  11.297   1.647  -2.017
  368   2HD2  LEU 229          2HD2      LEU 229   9.615   1.390  -2.484
  369   3HD2  LEU 229          3HD2      LEU 229  10.445   0.196  -1.487
  370    HA   PRO 230           HA       PRO 230  12.632   0.574   4.069
  371   1HB   PRO 230          2HB       PRO 230  10.013  -0.113   5.225
  372   2HB   PRO 230          1HB       PRO 230  11.498   0.389   6.037
  373   1HG   PRO 230          2HG       PRO 230   9.362   2.008   5.882
  374   2HG   PRO 230          1HG       PRO 230  11.020   2.636   5.816
  375   1HD   PRO 230          2HD       PRO 230   9.082   2.160   3.578
  376   2HD   PRO 230          1HD       PRO 230  10.185   3.529   3.841
  377    H    SER 231           H        SER 231  13.084  -0.897   2.471
  378    HA   SER 231           HA       SER 231  11.370  -2.273   0.834
  379   1HB   SER 231          2HB       SER 231  13.145  -4.009   0.671
  380   2HB   SER 231          1HB       SER 231  13.781  -2.369   0.537
  381    HG   SER 231           HG       SER 231  15.075  -3.034   2.062
  382    H    TYR 232           H        TYR 232  10.781  -4.588   0.857
  383    HA   TYR 232           HA       TYR 232   9.127  -5.206   3.015
  384   1HB   TYR 232          2HB       TYR 232   9.164  -6.110   0.566
  385   2HB   TYR 232          1HB       TYR 232  10.221  -7.353   1.229
  386    HD1  TYR 232           1HD      TYR 232   6.998  -6.824   0.291
  387    HD2  TYR 232           2HD      TYR 232   9.182  -8.196   3.675
  388    HE1  TYR 232           1HE      TYR 232   5.027  -8.085   1.045
  389    HE2  TYR 232           2HE      TYR 232   7.216  -9.461   4.438
  390    HH   TYR 232           HH       TYR 232   4.133  -8.977   3.223
  391    H    ASP 233           H        ASP 233  10.427  -4.986   4.897
  392    HA   ASP 233           HA       ASP 233  11.272  -7.322   6.079
  393   1HB   ASP 233          2HB       ASP 233  13.257  -6.298   4.274
  394   2HB   ASP 233          1HB       ASP 233  13.866  -6.206   5.923
  395    H    GLU 234           H        GLU 234  11.949  -3.870   5.792
  396    HA   GLU 234           HA       GLU 234  12.319  -3.673   8.688
  397   1HB   GLU 234          2HB       GLU 234  12.600  -1.525   6.580
  398   2HB   GLU 234          1HB       GLU 234  13.077  -1.401   8.267
  399   1HG   GLU 234          2HG       GLU 234  14.478  -3.586   7.497
  400   2HG   GLU 234          1HG       GLU 234  14.449  -2.654   6.000
  401    H    ALA 235           H        ALA 235  10.034  -2.975   6.185
  402    HA   ALA 235           HA       ALA 235   8.503  -0.993   7.447
  403   1HB   ALA 235          1HB       ALA 235   6.746  -1.574   5.899
  404   2HB   ALA 235          2HB       ALA 235   7.515  -3.123   5.553
  405   3HB   ALA 235          3HB       ALA 235   8.299  -1.620   5.064
  406    H    LEU 236           H        LEU 236   8.602  -4.463   7.841
  407    HA   LEU 236           HA       LEU 236   6.174  -4.919   9.112
  408   1HB   LEU 236          2HB       LEU 236   8.846  -6.231   9.167
  409   2HB   LEU 236          1HB       LEU 236   7.682  -6.694  10.395
  410    HG   LEU 236           HG       LEU 236   6.080  -7.047   8.358
  411   1HD1  LEU 236          1HD1      LEU 236   6.998  -7.391   6.286
  412   2HD1  LEU 236          2HD1      LEU 236   8.608  -7.712   6.931
  413   3HD1  LEU 236          3HD1      LEU 236   7.996  -6.059   6.871
  414   1HD2  LEU 236          1HD2      LEU 236   8.353  -8.940   8.947
  415   2HD2  LEU 236          2HD2      LEU 236   6.809  -9.365   8.209
  416   3HD2  LEU 236          3HD2      LEU 236   6.863  -8.799   9.878
  417    H    HIS 237           H        HIS 237   5.367  -4.475  11.075
  418    HA   HIS 237           HA       HIS 237   7.181  -3.622  13.211
  419   1HB   HIS 237          2HB       HIS 237   5.275  -1.924  11.794
  420   2HB   HIS 237          1HB       HIS 237   5.010  -1.933  13.534
  421    HD1  HIS 237           1HD      HIS 237   5.786   0.657  13.186
  422    HD2  HIS 237           2HD      HIS 237   8.717  -2.261  12.788
  423    HE1  HIS 237           1HE      HIS 237   7.978   1.869  13.418
  424    HE2  HIS 237           2HE      HIS 237   9.739   0.087  13.153
  Start of MODEL   13
    1   1H    GLY 521          1HT       GLY 521 -10.175  -1.476  16.829
    2   2H    GLY 521          2HT       GLY 521  -9.762  -2.772  15.824
    3   3H    GLY 521          3HT       GLY 521 -11.362  -2.575  16.334
    4   1HA   GLY 521          1HA       GLY 521 -11.742  -1.508  14.441
    5   2HA   GLY 521          2HA       GLY 521 -10.808  -0.196  15.143
    6    HA   PRO 522           HA       PRO 522  -7.676  -2.676  12.405
    7   1HB   PRO 522          2HB       PRO 522  -8.741  -4.553  10.743
    8   2HB   PRO 522          1HB       PRO 522  -8.137  -4.922  12.363
    9   1HG   PRO 522          2HG       PRO 522 -10.950  -4.473  11.446
   10   2HG   PRO 522          1HG       PRO 522 -10.319  -5.696  12.563
   11   1HD   PRO 522          2HD       PRO 522 -11.565  -3.459  13.424
   12   2HD   PRO 522          1HD       PRO 522 -10.248  -4.222  14.337
   13    H    LEU 523           H        LEU 523 -10.875  -2.628  10.820
   14    HA   LEU 523           HA       LEU 523  -9.698  -1.015   8.660
   15   1HB   LEU 523          2HB       LEU 523 -11.496  -3.243   8.675
   16   2HB   LEU 523          1HB       LEU 523 -12.318  -1.859   7.981
   17    HG   LEU 523           HG       LEU 523 -11.248  -3.232   6.262
   18   1HD1  LEU 523          1HD1      LEU 523 -10.845  -1.413   5.042
   19   2HD1  LEU 523          2HD1      LEU 523  -9.489  -0.932   6.062
   20   3HD1  LEU 523          3HD1      LEU 523 -11.135  -0.489   6.515
   21   1HD2  LEU 523          1HD2      LEU 523  -9.406  -4.238   7.240
   22   2HD2  LEU 523          2HD2      LEU 523  -8.818  -2.725   7.932
   23   3HD2  LEU 523          3HD2      LEU 523  -8.670  -3.020   6.199
   24    H    GLY 524           H        GLY 524 -12.142  -1.096  11.133
   25   1HA   GLY 524          2HA       GLY 524 -13.264   0.695  12.085
   26   2HA   GLY 524          1HA       GLY 524 -12.544   1.748  10.876
   27    H    SER 525           H        SER 525 -13.711   2.327   9.114
   28    HA   SER 525           HA       SER 525 -15.910   0.884   8.090
   29   1HB   SER 525          2HB       SER 525 -17.632   2.714   8.740
   30   2HB   SER 525          1HB       SER 525 -17.228   1.481   9.933
   31    HG   SER 525           HG       SER 525 -17.061   4.062  10.240
   32    H    GLY 526           H        GLY 526 -14.048   1.662   6.568
   33   1HA   GLY 526          2HA       GLY 526 -15.066   4.072   5.213
   34   2HA   GLY 526          1HA       GLY 526 -13.342   3.887   5.500
   35    H    GLU 527           H        GLU 527 -14.079   4.275   2.968
   36    HA   GLU 527           HA       GLU 527 -13.448   1.708   1.739
   37   1HB   GLU 527          2HB       GLU 527 -16.001   2.196   1.759
   38   2HB   GLU 527          1HB       GLU 527 -15.622   3.375   0.512
   39   1HG   GLU 527          2HG       GLU 527 -16.340   1.265  -0.452
   40   2HG   GLU 527          1HG       GLU 527 -14.667   1.625  -0.878
   41    H    GLU 528           H        GLU 528 -11.396   2.859   1.569
   42    HA   GLU 528           HA       GLU 528 -11.383   4.819  -0.631
   43   1HB   GLU 528          2HB       GLU 528 -10.481   5.349   1.808
   44   2HB   GLU 528          1HB       GLU 528  -9.046   4.531   1.202
   45   1HG   GLU 528          2HG       GLU 528  -8.839   6.117  -0.593
   46   2HG   GLU 528          1HG       GLU 528 -10.358   6.886  -0.135
   47    H    GLU 529           H        GLU 529 -11.546   2.532  -1.726
   48    HA   GLU 529           HA       GLU 529 -10.576   1.036  -3.134
   49   1HB   GLU 529          2HB       GLU 529  -8.584   3.208  -2.923
   50   2HB   GLU 529          1HB       GLU 529  -7.974   1.674  -3.527
   51   1HG   GLU 529          2HG       GLU 529  -8.694   2.280  -5.527
   52   2HG   GLU 529          1HG       GLU 529 -10.338   2.078  -4.922
   53    HA   PRO 530           HA       PRO 530  -8.540  -1.617  -0.155
   54   1HB   PRO 530          2HB       PRO 530  -9.199  -3.956  -1.250
   55   2HB   PRO 530          1HB       PRO 530 -10.421  -2.922  -0.505
   56   1HG   PRO 530          2HG       PRO 530  -9.841  -3.395  -3.383
   57   2HG   PRO 530          1HG       PRO 530 -11.391  -3.084  -2.583
   58   1HD   PRO 530          2HD       PRO 530  -9.795  -1.205  -3.956
   59   2HD   PRO 530          1HD       PRO 530 -11.195  -0.853  -2.926
   60    H    LEU 531           H        LEU 531  -6.649  -2.796  -0.002
   61    HA   LEU 531           HA       LEU 531  -4.682  -2.407  -1.986
   62   1HB   LEU 531          2HB       LEU 531  -4.580  -4.455   0.224
   63   2HB   LEU 531          1HB       LEU 531  -3.226  -3.676  -0.576
   64    HG   LEU 531           HG       LEU 531  -5.114  -1.873   0.814
   65   1HD1  LEU 531          1HD1      LEU 531  -3.622  -2.433   2.927
   66   2HD1  LEU 531          2HD1      LEU 531  -3.618  -4.035   2.189
   67   3HD1  LEU 531          3HD1      LEU 531  -5.146  -3.264   2.614
   68   1HD2  LEU 531          1HD2      LEU 531  -3.391  -0.549   0.356
   69   2HD2  LEU 531          2HD2      LEU 531  -2.384  -1.919  -0.108
   70   3HD2  LEU 531          3HD2      LEU 531  -2.475  -1.425   1.582
   71    HA   PRO 532           HA       PRO 532  -5.804  -5.571  -4.927
   72   1HB   PRO 532          2HB       PRO 532  -2.832  -5.527  -5.312
   73   2HB   PRO 532          1HB       PRO 532  -4.121  -5.495  -6.520
   74   1HG   PRO 532          2HG       PRO 532  -2.868  -3.266  -5.917
   75   2HG   PRO 532          1HG       PRO 532  -4.627  -3.265  -6.127
   76   1HD   PRO 532          2HD       PRO 532  -3.022  -3.151  -3.612
   77   2HD   PRO 532          1HD       PRO 532  -4.555  -2.348  -4.012
   78    HA   PRO 533           HA       PRO 533  -5.128  -9.779  -3.794
   79   1HB   PRO 533          2HB       PRO 533  -2.792  -9.825  -5.654
   80   2HB   PRO 533          1HB       PRO 533  -4.018 -11.070  -5.373
   81   1HG   PRO 533          2HG       PRO 533  -4.220  -9.448  -7.463
   82   2HG   PRO 533          1HG       PRO 533  -5.663  -9.893  -6.529
   83   1HD   PRO 533          2HD       PRO 533  -4.206  -7.329  -6.645
   84   2HD   PRO 533          1HD       PRO 533  -5.904  -7.636  -6.235
   85    H    ARG 534           H        ARG 534  -1.895  -8.557  -4.407
   86    HA   ARG 534           HA       ARG 534  -1.150  -9.432  -1.695
   87   1HB   ARG 534          2HB       ARG 534   0.357  -9.694  -4.285
   88   2HB   ARG 534          1HB       ARG 534   1.170  -9.781  -2.729
   89   1HG   ARG 534          2HG       ARG 534  -1.165 -11.542  -3.386
   90   2HG   ARG 534          1HG       ARG 534   0.487 -11.971  -3.834
   91   1HD   ARG 534          2HD       ARG 534   1.115 -12.360  -1.685
   92   2HD   ARG 534          1HD       ARG 534   0.038 -11.125  -1.035
   93    HE   ARG 534           HE       ARG 534  -1.648 -13.068  -1.915
   94   1HH1  ARG 534          1HH1      ARG 534   1.094 -13.012   0.229
   95   2HH1  ARG 534          2HH1      ARG 534   0.517 -14.317   1.212
   96   1HH2  ARG 534          1HH2      ARG 534  -2.416 -14.789  -0.631
   97   2HH2  ARG 534          2HH2      ARG 534  -1.478 -15.328   0.723
   98    H    TRP 535           H        TRP 535  -1.820  -7.149  -1.271
   99    HA   TRP 535           HA       TRP 535   0.569  -5.513  -1.326
  100   1HB   TRP 535          2HB       TRP 535  -1.965  -4.788  -2.743
  101   2HB   TRP 535          1HB       TRP 535  -0.910  -3.532  -2.100
  102    HD1  TRP 535           HD       TRP 535  -1.070  -6.200  -4.822
  103    HE1  TRP 535           1HE      TRP 535   0.835  -5.782  -6.498
  104    HE3  TRP 535           3HE      TRP 535   1.439  -2.547  -2.287
  105    HZ2  TRP 535           2HZ      TRP 535   3.109  -4.108  -6.712
  106    HZ3  TRP 535           3HZ      TRP 535   3.471  -1.590  -3.291
  107    HH2  TRP 535           HH       TRP 535   4.288  -2.357  -5.461
  108    H    SER 536           H        SER 536   0.399  -3.566  -0.034
  109    HA   SER 536           HA       SER 536  -1.749  -3.235   1.828
  110   1HB   SER 536          2HB       SER 536   0.833  -4.530   2.684
  111   2HB   SER 536          1HB       SER 536  -0.142  -3.607   3.822
  112    HG   SER 536           HG       SER 536  -0.939  -5.896   2.349
  113    H    MET 537           H        MET 537  -0.558  -1.730   3.766
  114    HA   MET 537           HA       MET 537   1.354   0.071   2.574
  115   1HB   MET 537          2HB       MET 537  -0.358   2.014   3.218
  116   2HB   MET 537          1HB       MET 537  -0.279   1.307   1.614
  117   1HG   MET 537          2HG       MET 537  -2.351   0.549   1.743
  118   2HG   MET 537          1HG       MET 537  -2.074  -0.169   3.330
  119   1HE   MET 537          1HE       MET 537  -4.526   1.236   5.130
  120   2HE   MET 537          2HE       MET 537  -4.209   0.022   3.891
  121   3HE   MET 537          3HE       MET 537  -5.275   1.382   3.540
  122    H    GLN 538           H        GLN 538   2.514   1.188   4.027
  123    HA   GLN 538           HA       GLN 538   1.600   1.399   6.784
  124   1HB   GLN 538          2HB       GLN 538   3.281  -0.687   6.014
  125   2HB   GLN 538          1HB       GLN 538   4.365   0.509   6.712
  126   1HG   GLN 538          2HG       GLN 538   3.194   0.485   8.779
  127   2HG   GLN 538          1HG       GLN 538   1.890  -0.485   8.096
  128   1HE2  GLN 538          1HE2      GLN 538   4.996  -0.491   9.530
  129   2HE2  GLN 538          2HE2      GLN 538   5.227  -2.201   9.564
  130    H    VAL 539           H        VAL 539   2.683   3.008   7.983
  131    HA   VAL 539           HA       VAL 539   3.782   5.114   6.356
  132    HB   VAL 539           HB       VAL 539   3.566   5.062   9.367
  133   1HG1  VAL 539          1HG1      VAL 539   3.135   7.621   8.560
  134   2HG1  VAL 539          2HG1      VAL 539   4.300   7.068   7.356
  135   3HG1  VAL 539          3HG1      VAL 539   4.696   6.979   9.073
  136   1HG2  VAL 539          1HG2      VAL 539   1.362   5.584   9.296
  137   2HG2  VAL 539          2HG2      VAL 539   1.433   4.666   7.793
  138   3HG2  VAL 539          3HG2      VAL 539   1.497   6.427   7.754
  139    H    ALA 540           H        ALA 540   5.855   5.814   6.245
  140    HA   ALA 540           HA       ALA 540   7.870   4.185   7.642
  141   1HB   ALA 540          1HB       ALA 540   8.790   3.892   5.646
  142   2HB   ALA 540          2HB       ALA 540   9.088   5.628   5.549
  143   3HB   ALA 540          3HB       ALA 540   7.591   4.953   4.906
  144    HA   PRO 541           HA       PRO 541   9.610   7.712   9.639
  145   1HB   PRO 541          2HB       PRO 541  12.278   7.480   9.282
  146   2HB   PRO 541          1HB       PRO 541  11.361   6.367  10.303
  147   1HG   PRO 541          2HG       PRO 541  12.319   6.006   7.491
  148   2HG   PRO 541          1HG       PRO 541  12.342   4.852   8.837
  149   1HD   PRO 541          2HD       PRO 541  10.458   4.811   6.871
  150   2HD   PRO 541          1HD       PRO 541  10.144   4.257   8.527
  151    H    ASN 542           H        ASN 542  10.421   7.274   6.283
  152    HA   ASN 542           HA       ASN 542  11.825   9.574   5.688
  153   1HB   ASN 542          2HB       ASN 542  11.410   7.806   4.047
  154   2HB   ASN 542          1HB       ASN 542   9.697   8.216   4.017
  155   1HD2  ASN 542          1HD2      ASN 542   9.461   8.878   1.973
  156   2HD2  ASN 542          2HD2      ASN 542  10.309  10.206   1.263
  157    H    GLY 543           H        GLY 543   8.332   9.144   6.049
  158   1HA   GLY 543          2HA       GLY 543   7.367  11.236   7.163
  159   2HA   GLY 543          1HA       GLY 543   8.002  12.058   5.747
  160    H    ARG 544           H        ARG 544   7.154   9.308   4.381
  161    HA   ARG 544           HA       ARG 544   4.303   9.976   4.161
  162   1HB   ARG 544          2HB       ARG 544   4.326  10.031   1.837
  163   2HB   ARG 544          1HB       ARG 544   5.828  10.840   2.251
  164   1HG   ARG 544          2HG       ARG 544   7.005   8.659   1.879
  165   2HG   ARG 544          1HG       ARG 544   5.477   8.021   1.271
  166   1HD   ARG 544          2HD       ARG 544   7.237   8.981  -0.388
  167   2HD   ARG 544          1HD       ARG 544   5.527   9.332  -0.621
  168    HE   ARG 544           HE       ARG 544   7.609  11.193   0.135
  169   1HH1  ARG 544          1HH1      ARG 544   4.179  10.583  -0.033
  170   2HH1  ARG 544          2HH1      ARG 544   3.753  12.261  -0.031
  171   1HH2  ARG 544          1HH2      ARG 544   7.053  13.401   0.142
  172   2HH2  ARG 544          2HH2      ARG 544   5.384  13.862   0.068
  173    H    THR 545           H        THR 545   2.943   8.246   3.378
  174    HA   THR 545           HA       THR 545   3.742   5.703   4.468
  175    HB   THR 545           HB       THR 545   1.424   5.025   3.486
  176    HG1  THR 545           1HG      THR 545   0.973   7.816   3.641
  177   1HG2  THR 545          1HG2      THR 545   0.301   5.939   5.456
  178   2HG2  THR 545          2HG2      THR 545   1.635   7.065   5.706
  179   3HG2  THR 545          3HG2      THR 545   1.902   5.330   5.876
  180    H    PHE 546           H        PHE 546   3.947   3.756   3.370
  181    HA   PHE 546           HA       PHE 546   4.165   3.960   0.446
  182   1HB   PHE 546          2HB       PHE 546   6.061   2.337   0.614
  183   2HB   PHE 546          1HB       PHE 546   6.405   3.917   1.302
  184    HD1  PHE 546           1HD      PHE 546   6.060   4.167   3.851
  185    HD2  PHE 546           2HD      PHE 546   6.438   0.425   1.858
  186    HE1  PHE 546           1HE      PHE 546   6.690   3.098   5.977
  187    HE2  PHE 546           2HE      PHE 546   7.070  -0.647   3.980
  188    HZ   PHE 546           HZ       PHE 546   7.196   0.691   6.043
  189    H    PHE 547           H        PHE 547   3.764   2.008  -0.732
  190    HA   PHE 547           HA       PHE 547   1.872   0.263   0.645
  191   1HB   PHE 547          2HB       PHE 547   2.254   1.170  -2.113
  192   2HB   PHE 547          1HB       PHE 547   1.869  -0.543  -1.985
  193    HD1  PHE 547           1HD      PHE 547  -0.351  -1.043  -2.208
  194    HD2  PHE 547           2HD      PHE 547   0.748   2.637  -0.375
  195    HE1  PHE 547           1HE      PHE 547  -2.729  -0.481  -1.917
  196    HE2  PHE 547           2HE      PHE 547  -1.628   3.205  -0.080
  197    HZ   PHE 547           HZ       PHE 547  -3.369   1.645  -0.851
  198    H    ILE 548           H        ILE 548   2.241  -1.809   1.095
  199    HA   ILE 548           HA       ILE 548   4.888  -2.877   0.568
  200    HB   ILE 548           HB       ILE 548   2.623  -3.953   2.248
  201   1HG1  ILE 548          2HG1      ILE 548   4.784  -3.375   3.875
  202   2HG1  ILE 548          1HG1      ILE 548   4.789  -2.051   2.711
  203   1HG2  ILE 548          1HG2      ILE 548   3.833  -5.855   1.637
  204   2HG2  ILE 548          2HG2      ILE 548   4.521  -5.395   3.195
  205   3HG2  ILE 548          3HG2      ILE 548   5.377  -5.007   1.703
  206   1HD1  ILE 548          1HD1      ILE 548   3.154  -1.068   3.819
  207   2HD1  ILE 548          2HD1      ILE 548   3.164  -2.384   4.994
  208   3HD1  ILE 548          3HD1      ILE 548   2.117  -2.474   3.578
  209    H    ASP 549           H        ASP 549   5.336  -4.401  -0.897
  210    HA   ASP 549           HA       ASP 549   3.080  -5.618  -2.341
  211   1HB   ASP 549          2HB       ASP 549   4.771  -4.164  -3.584
  212   2HB   ASP 549          1HB       ASP 549   5.931  -5.460  -3.317
  213    H    HIS 550           H        HIS 550   2.644  -7.592  -1.602
  214    HA   HIS 550           HA       HIS 550   4.715  -9.250  -0.444
  215   1HB   HIS 550          2HB       HIS 550   1.793  -9.883  -0.898
  216   2HB   HIS 550          1HB       HIS 550   2.911 -10.782   0.120
  217    HD2  HIS 550           2HD      HIS 550   1.801  -6.980   0.087
  218    HE1  HIS 550           1HE      HIS 550   1.820  -8.492   4.039
  219    HE2  HIS 550           2HE      HIS 550   1.569  -6.415   2.607
  220    H    ALA 551           H        ALA 551   3.037  -8.938  -3.452
  221    HA   ALA 551           HA       ALA 551   3.280 -11.502  -4.506
  222   1HB   ALA 551          1HB       ALA 551   3.287 -10.359  -6.731
  223   2HB   ALA 551          2HB       ALA 551   3.385  -8.820  -5.875
  224   3HB   ALA 551          3HB       ALA 551   1.980  -9.863  -5.656
  225    H    SER 552           H        SER 552   5.610  -8.840  -4.455
  226    HA   SER 552           HA       SER 552   7.678 -10.732  -5.360
  227   1HB   SER 552          2HB       SER 552   6.933  -8.238  -6.475
  228   2HB   SER 552          1HB       SER 552   8.514  -8.014  -5.721
  229    HG   SER 552           HG       SER 552   9.233  -9.845  -6.917
  230    H    ARG 553           H        ARG 553   6.593  -8.994  -2.724
  231    HA   ARG 553           HA       ARG 553   7.485  -8.648  -0.661
  232   1HB   ARG 553          2HB       ARG 553  10.048  -9.863  -1.694
  233   2HB   ARG 553          1HB       ARG 553   9.530  -9.716  -0.023
  234   1HG   ARG 553          2HG       ARG 553   7.522 -11.158  -1.377
  235   2HG   ARG 553          1HG       ARG 553   9.074 -11.841  -1.864
  236   1HD   ARG 553          2HD       ARG 553   7.873 -11.631   0.872
  237   2HD   ARG 553          1HD       ARG 553   8.521 -13.049   0.049
  238    HE   ARG 553           HE       ARG 553  10.650 -11.340   0.351
  239   1HH1  ARG 553          1HH1      ARG 553   8.373 -12.917   2.462
  240   2HH1  ARG 553          2HH1      ARG 553   9.478 -13.015   3.793
  241   1HH2  ARG 553          1HH2      ARG 553  12.113 -11.463   2.097
  242   2HH2  ARG 553          2HH2      ARG 553  11.604 -12.188   3.586
  243    H    ARG 554           H        ARG 554   7.328  -6.460  -2.009
  244    HA   ARG 554           HA       ARG 554   9.793  -5.028  -1.383
  245   1HB   ARG 554          2HB       ARG 554   8.396  -4.533  -4.005
  246   2HB   ARG 554          1HB       ARG 554   9.968  -3.944  -3.484
  247   1HG   ARG 554          2HG       ARG 554  10.774  -6.307  -3.508
  248   2HG   ARG 554          1HG       ARG 554   9.231  -6.759  -4.237
  249   1HD   ARG 554          2HD       ARG 554  11.303  -4.887  -5.371
  250   2HD   ARG 554          1HD       ARG 554  10.869  -6.485  -5.977
  251    HE   ARG 554           HE       ARG 554   8.584  -4.847  -5.951
  252   1HH1  ARG 554          1HH1      ARG 554  11.608  -5.222  -7.633
  253   2HH1  ARG 554          2HH1      ARG 554  11.016  -4.550  -9.117
  254   1HH2  ARG 554          1HH2      ARG 554   7.792  -3.962  -7.900
  255   2HH2  ARG 554          2HH2      ARG 554   8.847  -3.834  -9.268
  256    H    THR 555           H        THR 555   9.028  -2.552  -2.435
  257    HA   THR 555           HA       THR 555   6.386  -1.927  -1.413
  258    HB   THR 555           HB       THR 555   7.138  -0.255   0.187
  259    HG1  THR 555           1HG      THR 555   9.458  -0.322   0.738
  260   1HG2  THR 555          1HG2      THR 555   8.041  -1.737   1.919
  261   2HG2  THR 555          2HG2      THR 555   8.432  -2.939   0.689
  262   3HG2  THR 555          3HG2      THR 555   6.749  -2.526   1.016
  263    H    THR 556           H        THR 556   5.961   0.484  -1.605
  264    HA   THR 556           HA       THR 556   7.603   1.970  -3.435
  265    HB   THR 556           HB       THR 556   6.566   0.644  -5.120
  266    HG1  THR 556           1HG      THR 556   6.363   2.520  -6.083
  267   1HG2  THR 556          1HG2      THR 556   4.196   0.894  -3.385
  268   2HG2  THR 556          2HG2      THR 556   4.709  -0.438  -4.420
  269   3HG2  THR 556          3HG2      THR 556   3.879   0.952  -5.120
  270    H    TRP 557           H        TRP 557   6.672   4.101  -3.929
  271    HA   TRP 557           HA       TRP 557   5.356   5.164  -1.589
  272   1HB   TRP 557          2HB       TRP 557   6.546   6.427  -4.053
  273   2HB   TRP 557          1HB       TRP 557   5.710   7.367  -2.821
  274    HD1  TRP 557           HD       TRP 557   9.050   6.853  -3.741
  275    HE1  TRP 557           1HE      TRP 557  10.680   6.866  -1.751
  276    HE3  TRP 557           3HE      TRP 557   5.699   6.144   0.036
  277    HZ2  TRP 557           2HZ      TRP 557  10.556   6.613   1.060
  278    HZ3  TRP 557           3HZ      TRP 557   6.531   6.040   2.354
  279    HH2  TRP 557           HH       TRP 557   8.910   6.271   2.853
  280    H    ILE 558           H        ILE 558   4.431   4.180  -4.742
  281    HA   ILE 558           HA       ILE 558   1.888   5.640  -4.502
  282    HB   ILE 558           HB       ILE 558   3.046   4.371  -6.977
  283   1HG1  ILE 558          2HG1      ILE 558   4.320   6.349  -5.880
  284   2HG1  ILE 558          1HG1      ILE 558   3.953   6.436  -7.603
  285   1HG2  ILE 558          1HG2      ILE 558   0.566   4.659  -6.863
  286   2HG2  ILE 558          2HG2      ILE 558   1.348   5.531  -8.181
  287   3HG2  ILE 558          3HG2      ILE 558   0.834   6.398  -6.734
  288   1HD1  ILE 558          1HD1      ILE 558   3.455   8.388  -5.762
  289   2HD1  ILE 558          2HD1      ILE 558   1.884   7.601  -5.908
  290   3HD1  ILE 558          3HD1      ILE 558   2.681   8.250  -7.341
  291    H    ASP 559           H        ASP 559  -0.059   4.565  -4.734
  292    HA   ASP 559           HA       ASP 559  -0.007   1.778  -3.997
  293   1HB   ASP 559          2HB       ASP 559  -2.545   2.093  -3.995
  294   2HB   ASP 559          1HB       ASP 559  -1.622   3.041  -2.834
  295    HA   PRO 560           HA       PRO 560  -0.882   0.322  -8.106
  296   1HB   PRO 560          2HB       PRO 560  -1.193  -2.292  -7.505
  297   2HB   PRO 560          1HB       PRO 560   0.376  -1.486  -7.454
  298   1HG   PRO 560          2HG       PRO 560  -1.294  -2.449  -5.238
  299   2HG   PRO 560          1HG       PRO 560   0.424  -2.045  -5.266
  300   1HD   PRO 560          2HD       PRO 560  -1.769  -0.436  -4.314
  301   2HD   PRO 560          1HD       PRO 560  -0.029  -0.100  -4.244
  302    H    ARG 561           H        ARG 561  -3.202   0.904  -5.940
  303    HA   ARG 561           HA       ARG 561  -5.281  -0.618  -7.347
  304   1HB   ARG 561          2HB       ARG 561  -6.649   0.344  -5.297
  305   2HB   ARG 561          1HB       ARG 561  -5.671  -1.105  -5.148
  306   1HG   ARG 561          2HG       ARG 561  -3.864   0.191  -4.165
  307   2HG   ARG 561          1HG       ARG 561  -4.806   1.670  -4.358
  308   1HD   ARG 561          2HD       ARG 561  -6.493  -0.080  -3.002
  309   2HD   ARG 561          1HD       ARG 561  -4.908  -0.325  -2.271
  310    HE   ARG 561           HE       ARG 561  -5.704   2.437  -2.580
  311   1HH1  ARG 561          1HH1      ARG 561  -5.681  -0.361  -0.499
  312   2HH1  ARG 561          2HH1      ARG 561  -5.869   0.562   0.953
  313   1HH2  ARG 561          1HH2      ARG 561  -5.957   3.654  -0.671
  314   2HH2  ARG 561          2HH2      ARG 561  -6.028   2.841   0.856
  315    H    ASN 562           H        ASN 562  -3.878   2.025  -8.064
  316    HA   ASN 562           HA       ASN 562  -6.005   3.236  -9.352
  317   1HB   ASN 562          2HB       ASN 562  -6.186   5.359  -8.004
  318   2HB   ASN 562          1HB       ASN 562  -6.898   3.937  -7.251
  319   1HD2  ASN 562          1HD2      ASN 562  -6.143   3.244  -5.330
  320   2HD2  ASN 562          2HD2      ASN 562  -4.866   4.008  -4.454
  321    H    GLY 563           H        GLY 563  -2.994   4.016  -7.629
  322   1HA   GLY 563          2HA       GLY 563  -0.989   4.501  -8.877
  323   2HA   GLY 563          1HA       GLY 563  -1.995   5.197 -10.137
  324    H    ARG 564           H        ARG 564  -2.140   5.761  -6.646
  325    HA   ARG 564           HA       ARG 564  -1.277   8.533  -7.120
  326   1HB   ARG 564          2HB       ARG 564  -3.599   7.616  -5.417
  327   2HB   ARG 564          1HB       ARG 564  -2.958   9.252  -5.419
  328   1HG   ARG 564          2HG       ARG 564  -4.059   9.793  -7.275
  329   2HG   ARG 564          1HG       ARG 564  -3.598   8.296  -8.088
  330   1HD   ARG 564          2HD       ARG 564  -5.718   7.652  -7.873
  331   2HD   ARG 564          1HD       ARG 564  -5.406   7.491  -6.145
  332    HE   ARG 564           HE       ARG 564  -6.822   9.240  -5.834
  333   1HH1  ARG 564          1HH1      ARG 564  -5.421   9.527  -9.009
  334   2HH1  ARG 564          2HH1      ARG 564  -6.313  10.955  -9.416
  335   1HH2  ARG 564          1HH2      ARG 564  -8.004  11.119  -6.358
  336   2HH2  ARG 564          2HH2      ARG 564  -7.781  11.862  -7.908
  337    H    ALA 565           H        ALA 565  -0.057   9.481  -5.514
  338    HA   ALA 565           HA       ALA 565   1.633   7.914  -4.002
  339   1HB   ALA 565          1HB       ALA 565   0.814  10.784  -3.591
  340   2HB   ALA 565          2HB       ALA 565   2.211  10.180  -4.481
  341   3HB   ALA 565          3HB       ALA 565   2.139  10.006  -2.727
  342    H    SER 566           H        SER 566   1.268   6.637  -2.326
  343    HA   SER 566           HA       SER 566  -1.110   6.449  -0.907
  344   1HB   SER 566          2HB       SER 566   1.426   5.682   0.467
  345   2HB   SER 566          1HB       SER 566  -0.086   4.787   0.316
  346    HG   SER 566           HG       SER 566   2.091   4.481  -1.112
  347   1H    THR 227          1HT       THR 227  17.445   8.250   0.512
  348   2H    THR 227          2HT       THR 227  17.511   7.996  -1.159
  349   3H    THR 227          3HT       THR 227  17.767   6.705  -0.096
  350    HA   THR 227           HA       THR 227  15.253   8.121  -0.701
  351    HB   THR 227           HB       THR 227  14.716   5.440  -0.593
  352    HG1  THR 227           1HG      THR 227  16.410   4.315  -1.353
  353   1HG2  THR 227          1HG2      THR 227  15.741   6.538  -3.164
  354   2HG2  THR 227          2HG2      THR 227  14.379   7.349  -2.392
  355   3HG2  THR 227          3HG2      THR 227  14.257   5.644  -2.831
  356    H    GLY 228           H        GLY 228  13.455   6.516   0.434
  357   1HA   GLY 228          2HA       GLY 228  14.118   5.982   3.203
  358   2HA   GLY 228          1HA       GLY 228  13.054   7.360   2.961
  359    H    LEU 229           H        LEU 229  13.081   4.398   1.050
  360    HA   LEU 229           HA       LEU 229  10.353   3.853   2.017
  361   1HB   LEU 229          2HB       LEU 229  10.259   4.379  -0.291
  362   2HB   LEU 229          1HB       LEU 229  11.658   3.387  -0.653
  363    HG   LEU 229           HG       LEU 229   9.801   1.596   0.408
  364   1HD1  LEU 229          1HD1      LEU 229   8.378   3.192  -1.684
  365   2HD1  LEU 229          2HD1      LEU 229   8.186   3.564   0.029
  366   3HD1  LEU 229          3HD1      LEU 229   7.738   1.972  -0.583
  367   1HD2  LEU 229          1HD2      LEU 229   9.683   0.794  -1.936
  368   2HD2  LEU 229          2HD2      LEU 229  11.330   1.087  -1.376
  369   3HD2  LEU 229          3HD2      LEU 229  10.540   2.251  -2.439
  370    HA   PRO 230           HA       PRO 230  12.732   0.370   3.812
  371   1HB   PRO 230          2HB       PRO 230  10.132   0.045   5.199
  372   2HB   PRO 230          1HB       PRO 230  11.765   0.109   5.869
  373   1HG   PRO 230          2HG       PRO 230  10.082   2.164   6.143
  374   2HG   PRO 230          1HG       PRO 230  11.816   2.424   5.874
  375   1HD   PRO 230          2HD       PRO 230   9.539   2.661   3.948
  376   2HD   PRO 230          1HD       PRO 230  10.990   3.673   4.110
  377    H    SER 231           H        SER 231  12.802  -1.041   2.110
  378    HA   SER 231           HA       SER 231  10.656  -2.074   0.681
  379   1HB   SER 231          2HB       SER 231  12.172  -3.561  -0.286
  380   2HB   SER 231          1HB       SER 231  13.222  -2.254   0.262
  381    HG   SER 231           HG       SER 231  13.850  -3.484   1.988
  382    H    TYR 232           H        TYR 232  10.234  -4.557   0.630
  383    HA   TYR 232           HA       TYR 232   8.765  -5.215   2.921
  384   1HB   TYR 232          2HB       TYR 232   8.566  -6.081   0.479
  385   2HB   TYR 232          1HB       TYR 232   9.739  -7.295   0.983
  386    HD1  TYR 232           1HD      TYR 232   9.127  -8.655   3.117
  387    HD2  TYR 232           2HD      TYR 232   6.303  -6.468   0.805
  388    HE1  TYR 232           1HE      TYR 232   7.311 -10.025   4.050
  389    HE2  TYR 232           2HE      TYR 232   4.478  -7.832   1.734
  390    HH   TYR 232           HH       TYR 232   4.624 -10.542   2.908
  391    H    ASP 233           H        ASP 233  10.300  -4.951   4.648
  392    HA   ASP 233           HA       ASP 233  11.289  -7.328   5.687
  393   1HB   ASP 233          2HB       ASP 233  12.988  -7.294   3.964
  394   2HB   ASP 233          1HB       ASP 233  13.414  -5.632   4.361
  395    H    GLU 234           H        GLU 234  12.459  -3.960   5.515
  396    HA   GLU 234           HA       GLU 234  12.763  -3.844   8.381
  397   1HB   GLU 234          2HB       GLU 234  12.962  -1.542   6.445
  398   2HB   GLU 234          1HB       GLU 234  13.685  -1.671   8.043
  399   1HG   GLU 234          2HG       GLU 234  14.421  -3.437   5.723
  400   2HG   GLU 234          1HG       GLU 234  15.272  -1.951   6.143
  401    H    ALA 235           H        ALA 235  10.321  -3.067   6.078
  402    HA   ALA 235           HA       ALA 235   8.956  -1.073   7.570
  403   1HB   ALA 235          1HB       ALA 235   7.088  -1.495   6.041
  404   2HB   ALA 235          2HB       ALA 235   7.919  -2.925   5.427
  405   3HB   ALA 235          3HB       ALA 235   8.615  -1.325   5.176
  406    H    LEU 236           H        LEU 236   8.474  -4.578   7.217
  407    HA   LEU 236           HA       LEU 236   6.289  -4.641   9.069
  408   1HB   LEU 236          2HB       LEU 236   7.958  -6.766   7.749
  409   2HB   LEU 236          1HB       LEU 236   6.735  -7.162   8.941
  410    HG   LEU 236           HG       LEU 236   6.093  -5.590   6.456
  411   1HD1  LEU 236          1HD1      LEU 236   6.626  -7.453   5.322
  412   2HD1  LEU 236          2HD1      LEU 236   5.104  -8.063   5.969
  413   3HD1  LEU 236          3HD1      LEU 236   6.624  -8.460   6.771
  414   1HD2  LEU 236          1HD2      LEU 236   4.407  -7.221   8.352
  415   2HD2  LEU 236          2HD2      LEU 236   3.824  -6.376   6.918
  416   3HD2  LEU 236          3HD2      LEU 236   4.478  -5.461   8.277
  417    H    HIS 237           H        HIS 237   6.834  -3.927  11.072
  418    HA   HIS 237           HA       HIS 237   8.146  -5.676  12.839
  419   1HB   HIS 237          2HB       HIS 237   9.909  -3.960  11.426
  420   2HB   HIS 237          1HB       HIS 237   9.825  -3.367  13.081
  421    HD1  HIS 237           1HD      HIS 237  10.144  -5.464  14.921
  422    HD2  HIS 237           2HD      HIS 237  11.772  -5.884  11.121
  423    HE1  HIS 237           1HE      HIS 237  11.899  -7.253  15.134
  424    HE2  HIS 237           2HE      HIS 237  12.843  -7.519  12.814
  Start of MODEL   14
    1   1H    GLY 521          1HT       GLY 521 -21.157   6.091  -1.772
    2   2H    GLY 521          2HT       GLY 521 -22.325   5.844  -0.574
    3   3H    GLY 521          3HT       GLY 521 -21.562   7.346  -0.712
    4   1HA   GLY 521          1HA       GLY 521 -22.622   6.914  -3.197
    5   2HA   GLY 521          2HA       GLY 521 -23.855   6.340  -2.085
    6    HA   PRO 522           HA       PRO 522 -25.294  10.482  -1.651
    7   1HB   PRO 522          2HB       PRO 522 -26.171  10.426   0.952
    8   2HB   PRO 522          1HB       PRO 522 -27.071   9.762  -0.413
    9   1HG   PRO 522          2HG       PRO 522 -25.363   8.359   1.594
   10   2HG   PRO 522          1HG       PRO 522 -26.900   7.850   0.874
   11   1HD   PRO 522          2HD       PRO 522 -24.525   6.852   0.065
   12   2HD   PRO 522          1HD       PRO 522 -25.891   7.075  -1.048
   13    H    LEU 523           H        LEU 523 -23.798   9.488   1.440
   14    HA   LEU 523           HA       LEU 523 -22.783  12.091   1.974
   15   1HB   LEU 523          2HB       LEU 523 -23.195   9.812   3.449
   16   2HB   LEU 523          1HB       LEU 523 -21.447   9.864   3.328
   17    HG   LEU 523           HG       LEU 523 -22.127  10.956   5.362
   18   1HD1  LEU 523          1HD1      LEU 523 -20.502  12.436   5.092
   19   2HD1  LEU 523          2HD1      LEU 523 -21.541  13.449   4.088
   20   3HD1  LEU 523          3HD1      LEU 523 -20.582  12.165   3.351
   21   1HD2  LEU 523          1HD2      LEU 523 -24.293  11.869   3.776
   22   2HD2  LEU 523          2HD2      LEU 523 -23.445  13.280   4.407
   23   3HD2  LEU 523          3HD2      LEU 523 -24.050  12.047   5.513
   24    H    GLY 524           H        GLY 524 -20.912   9.079   1.591
   25   1HA   GLY 524          2HA       GLY 524 -19.096   8.714   0.149
   26   2HA   GLY 524          1HA       GLY 524 -19.110  10.420  -0.268
   27    H    SER 525           H        SER 525 -17.640  11.716   0.648
   28    HA   SER 525           HA       SER 525 -15.759  12.307   1.798
   29   1HB   SER 525          2HB       SER 525 -16.342  11.142   4.349
   30   2HB   SER 525          1HB       SER 525 -16.463  12.831   3.857
   31    HG   SER 525           HG       SER 525 -18.446  11.553   4.592
   32    H    GLY 526           H        GLY 526 -15.621   9.778   0.431
   33   1HA   GLY 526          2HA       GLY 526 -14.470   7.737   1.979
   34   2HA   GLY 526          1HA       GLY 526 -14.227   7.962   0.254
   35    H    GLU 527           H        GLU 527 -12.143   6.969   1.516
   36    HA   GLU 527           HA       GLU 527 -10.121   8.927   1.137
   37   1HB   GLU 527          2HB       GLU 527 -11.219   9.074   3.631
   38   2HB   GLU 527          1HB       GLU 527  -9.901   7.942   3.903
   39   1HG   GLU 527          2HG       GLU 527  -8.744   9.828   4.279
   40   2HG   GLU 527          1HG       GLU 527  -8.585   9.819   2.523
   41    H    GLU 528           H        GLU 528 -10.726   5.937   2.986
   42    HA   GLU 528           HA       GLU 528  -8.177   4.837   2.196
   43   1HB   GLU 528          2HB       GLU 528  -9.713   4.462   4.382
   44   2HB   GLU 528          1HB       GLU 528 -10.223   3.081   3.421
   45   1HG   GLU 528          2HG       GLU 528  -7.755   2.549   3.155
   46   2HG   GLU 528          1HG       GLU 528  -7.478   3.731   4.433
   47    H    GLU 529           H        GLU 529  -7.894   2.900   0.995
   48    HA   GLU 529           HA       GLU 529 -10.155   2.018  -0.629
   49   1HB   GLU 529          2HB       GLU 529  -9.071   3.746  -1.959
   50   2HB   GLU 529          1HB       GLU 529  -7.518   2.950  -1.761
   51   1HG   GLU 529          2HG       GLU 529  -8.142   2.289  -3.871
   52   2HG   GLU 529          1HG       GLU 529  -8.679   0.932  -2.883
   53    HA   PRO 530           HA       PRO 530  -8.595  -2.002   0.360
   54   1HB   PRO 530          2HB       PRO 530  -9.575  -2.736  -2.351
   55   2HB   PRO 530          1HB       PRO 530  -9.941  -3.467  -0.784
   56   1HG   PRO 530          2HG       PRO 530 -11.729  -1.923  -2.013
   57   2HG   PRO 530          1HG       PRO 530 -11.522  -1.855  -0.253
   58   1HD   PRO 530          2HD       PRO 530 -10.570   0.050  -2.350
   59   2HD   PRO 530          1HD       PRO 530 -11.195   0.382  -0.721
   60    H    LEU 531           H        LEU 531  -6.825  -3.266  -0.042
   61    HA   LEU 531           HA       LEU 531  -4.987  -2.293  -2.102
   62   1HB   LEU 531          2HB       LEU 531  -4.219  -4.349  -0.080
   63   2HB   LEU 531          1HB       LEU 531  -3.241  -3.086  -0.805
   64    HG   LEU 531           HG       LEU 531  -5.144  -1.689   0.657
   65   1HD1  LEU 531          1HD1      LEU 531  -5.695  -3.936   1.685
   66   2HD1  LEU 531          2HD1      LEU 531  -5.271  -2.641   2.806
   67   3HD1  LEU 531          3HD1      LEU 531  -4.088  -3.888   2.411
   68   1HD2  LEU 531          1HD2      LEU 531  -3.233  -0.676   1.145
   69   2HD2  LEU 531          2HD2      LEU 531  -2.316  -2.066   0.562
   70   3HD2  LEU 531          3HD2      LEU 531  -2.835  -1.995   2.245
   71    HA   PRO 532           HA       PRO 532  -5.660  -5.620  -4.903
   72   1HB   PRO 532          2HB       PRO 532  -2.681  -5.708  -5.044
   73   2HB   PRO 532          1HB       PRO 532  -3.868  -5.654  -6.351
   74   1HG   PRO 532          2HG       PRO 532  -2.522  -3.476  -5.681
   75   2HG   PRO 532          1HG       PRO 532  -4.243  -3.377  -6.091
   76   1HD   PRO 532          2HD       PRO 532  -2.923  -3.238  -3.417
   77   2HD   PRO 532          1HD       PRO 532  -4.366  -2.391  -4.010
   78    HA   PRO 533           HA       PRO 533  -4.935  -9.597  -3.208
   79   1HB   PRO 533          2HB       PRO 533  -3.316 -10.571  -5.450
   80   2HB   PRO 533          1HB       PRO 533  -4.904 -11.092  -4.889
   81   1HG   PRO 533          2HG       PRO 533  -4.607  -9.715  -7.168
   82   2HG   PRO 533          1HG       PRO 533  -6.016  -9.475  -6.115
   83   1HD   PRO 533          2HD       PRO 533  -3.542  -7.806  -6.386
   84   2HD   PRO 533          1HD       PRO 533  -5.236  -7.291  -6.242
   85    H    ARG 534           H        ARG 534  -2.160  -7.788  -3.781
   86    HA   ARG 534           HA       ARG 534  -0.707  -9.478  -1.912
   87   1HB   ARG 534          2HB       ARG 534   0.285  -8.889  -4.697
   88   2HB   ARG 534          1HB       ARG 534   1.341  -9.419  -3.395
   89   1HG   ARG 534          2HG       ARG 534  -1.057 -10.963  -4.350
   90   2HG   ARG 534          1HG       ARG 534   0.591 -11.234  -4.918
   91   1HD   ARG 534          2HD       ARG 534   1.311 -11.818  -2.693
   92   2HD   ARG 534          1HD       ARG 534  -0.270 -11.400  -2.033
   93    HE   ARG 534           HE       ARG 534  -1.032 -13.454  -2.675
   94   1HH1  ARG 534          1HH1      ARG 534   1.905 -12.753  -4.409
   95   2HH1  ARG 534          2HH1      ARG 534   2.020 -14.332  -5.112
   96   1HH2  ARG 534          1HH2      ARG 534  -0.888 -15.537  -3.590
   97   2HH2  ARG 534          2HH2      ARG 534   0.433 -15.915  -4.647
   98    H    TRP 535           H        TRP 535  -1.783  -6.956  -1.491
   99    HA   TRP 535           HA       TRP 535   0.705  -5.478  -1.030
  100   1HB   TRP 535          2HB       TRP 535  -1.764  -4.268  -2.260
  101   2HB   TRP 535          1HB       TRP 535  -0.364  -3.354  -1.705
  102    HD1  TRP 535           HD       TRP 535  -1.053  -6.247  -4.205
  103    HE1  TRP 535           1HE      TRP 535   0.482  -5.914  -6.238
  104    HE3  TRP 535           3HE      TRP 535   1.496  -2.133  -2.598
  105    HZ2  TRP 535           2HZ      TRP 535   2.524  -4.113  -7.045
  106    HZ3  TRP 535           3HZ      TRP 535   3.226  -1.164  -4.052
  107    HH2  TRP 535           HH       TRP 535   3.730  -2.139  -6.231
  108    H    SER 536           H        SER 536   0.383  -3.583   0.417
  109    HA   SER 536           HA       SER 536  -1.843  -3.703   2.254
  110   1HB   SER 536          2HB       SER 536   0.596  -5.104   2.805
  111   2HB   SER 536          1HB       SER 536   0.427  -3.783   3.946
  112    HG   SER 536           HG       SER 536  -1.229  -6.010   3.539
  113    H    MET 537           H        MET 537  -0.655  -2.292   4.348
  114    HA   MET 537           HA       MET 537   0.362   0.148   3.072
  115   1HB   MET 537          2HB       MET 537  -1.862  -0.037   5.098
  116   2HB   MET 537          1HB       MET 537  -1.111   1.469   4.587
  117   1HG   MET 537          2HG       MET 537  -1.796   0.522   2.197
  118   2HG   MET 537          1HG       MET 537  -3.020  -0.288   3.172
  119   1HE   MET 537          1HE       MET 537  -4.630   0.534   4.419
  120   2HE   MET 537          2HE       MET 537  -5.619   1.440   3.273
  121   3HE   MET 537          3HE       MET 537  -5.074   2.206   4.765
  122    H    GLN 538           H        GLN 538   1.671   1.464   4.385
  123    HA   GLN 538           HA       GLN 538   2.190   0.904   7.120
  124   1HB   GLN 538          2HB       GLN 538   3.305  -1.044   5.933
  125   2HB   GLN 538          1HB       GLN 538   4.421   0.126   5.243
  126   1HG   GLN 538          2HG       GLN 538   5.686  -0.165   7.033
  127   2HG   GLN 538          1HG       GLN 538   4.444   0.668   7.965
  128   1HE2  GLN 538          1HE2      GLN 538   4.816  -0.506   9.820
  129   2HE2  GLN 538          2HE2      GLN 538   4.392  -2.173   9.974
  130    H    VAL 539           H        VAL 539   2.981   2.700   8.028
  131    HA   VAL 539           HA       VAL 539   3.699   4.923   6.332
  132    HB   VAL 539           HB       VAL 539   3.746   4.820   9.350
  133   1HG1  VAL 539          1HG1      VAL 539   3.362   7.278   9.092
  134   2HG1  VAL 539          2HG1      VAL 539   3.649   7.082   7.363
  135   3HG1  VAL 539          3HG1      VAL 539   4.932   6.718   8.516
  136   1HG2  VAL 539          1HG2      VAL 539   1.462   6.111   8.052
  137   2HG2  VAL 539          2HG2      VAL 539   1.516   5.039   9.452
  138   3HG2  VAL 539          3HG2      VAL 539   1.530   4.363   7.824
  139    H    ALA 540           H        ALA 540   5.673   5.721   5.949
  140    HA   ALA 540           HA       ALA 540   7.953   4.291   7.120
  141   1HB   ALA 540          1HB       ALA 540   8.403   4.082   4.929
  142   2HB   ALA 540          2HB       ALA 540   9.025   5.725   5.086
  143   3HB   ALA 540          3HB       ALA 540   7.389   5.454   4.483
  144    HA   PRO 541           HA       PRO 541   9.356   7.748   9.471
  145   1HB   PRO 541          2HB       PRO 541  12.078   7.218   8.428
  146   2HB   PRO 541          1HB       PRO 541  11.498   7.237  10.096
  147   1HG   PRO 541          2HG       PRO 541  12.095   4.942   8.864
  148   2HG   PRO 541          1HG       PRO 541  10.736   5.056   9.998
  149   1HD   PRO 541          2HD       PRO 541  10.712   4.998   7.006
  150   2HD   PRO 541          1HD       PRO 541   9.596   4.236   8.160
  151    H    ASN 542           H        ASN 542  10.251   7.423   6.116
  152    HA   ASN 542           HA       ASN 542  11.495   9.807   5.555
  153   1HB   ASN 542          2HB       ASN 542  10.839   7.814   4.008
  154   2HB   ASN 542          1HB       ASN 542   9.371   8.742   3.717
  155   1HD2  ASN 542          1HD2      ASN 542  10.097   8.779   1.512
  156   2HD2  ASN 542          2HD2      ASN 542  11.255   9.957   1.010
  157    H    GLY 543           H        GLY 543   8.054   9.175   5.982
  158   1HA   GLY 543          2HA       GLY 543   6.921  11.136   7.109
  159   2HA   GLY 543          1HA       GLY 543   7.556  12.076   5.768
  160    H    ARG 544           H        ARG 544   6.874   9.255   4.339
  161    HA   ARG 544           HA       ARG 544   4.030   9.858   3.951
  162   1HB   ARG 544          2HB       ARG 544   4.187   9.802   1.608
  163   2HB   ARG 544          1HB       ARG 544   5.541  10.797   2.121
  164   1HG   ARG 544          2HG       ARG 544   5.782   7.870   1.468
  165   2HG   ARG 544          1HG       ARG 544   6.044   9.164   0.300
  166   1HD   ARG 544          2HD       ARG 544   7.638   8.487   2.745
  167   2HD   ARG 544          1HD       ARG 544   8.183   8.637   1.077
  168    HE   ARG 544           HE       ARG 544   7.854  10.761   2.993
  169   1HH1  ARG 544          1HH1      ARG 544   8.054   9.927  -0.381
  170   2HH1  ARG 544          2HH1      ARG 544   8.567  11.506  -0.874
  171   1HH2  ARG 544          1HH2      ARG 544   8.532  12.844   2.354
  172   2HH2  ARG 544          2HH2      ARG 544   8.840  13.165   0.681
  173    H    THR 545           H        THR 545   2.696   8.125   3.487
  174    HA   THR 545           HA       THR 545   3.599   5.588   4.437
  175    HB   THR 545           HB       THR 545   1.224   5.000   3.257
  176    HG1  THR 545           1HG      THR 545  -0.109   6.794   3.399
  177   1HG2  THR 545          1HG2      THR 545   0.237   5.231   5.437
  178   2HG2  THR 545          2HG2      THR 545   1.477   6.385   5.928
  179   3HG2  THR 545          3HG2      THR 545   1.905   4.699   5.639
  180    H    PHE 546           H        PHE 546   3.867   3.673   3.293
  181    HA   PHE 546           HA       PHE 546   4.064   3.991   0.378
  182   1HB   PHE 546          2HB       PHE 546   5.934   2.321   0.493
  183   2HB   PHE 546          1HB       PHE 546   6.295   3.886   1.208
  184    HD1  PHE 546           1HD      PHE 546   6.151   0.357   1.731
  185    HD2  PHE 546           2HD      PHE 546   6.116   4.120   3.725
  186    HE1  PHE 546           1HE      PHE 546   6.788  -0.756   3.831
  187    HE2  PHE 546           2HE      PHE 546   6.758   3.011   5.827
  188    HZ   PHE 546           HZ       PHE 546   7.093   0.572   5.883
  189    H    PHE 547           H        PHE 547   3.836   2.012  -0.862
  190    HA   PHE 547           HA       PHE 547   1.875   0.218   0.387
  191   1HB   PHE 547          2HB       PHE 547   2.070   1.481  -2.200
  192   2HB   PHE 547          1HB       PHE 547   1.913  -0.265  -2.375
  193    HD1  PHE 547           1HD      PHE 547   0.386   2.643  -0.626
  194    HD2  PHE 547           2HD      PHE 547  -0.184  -1.245  -2.257
  195    HE1  PHE 547           1HE      PHE 547  -2.032   2.826  -0.211
  196    HE2  PHE 547           2HE      PHE 547  -2.602  -1.068  -1.848
  197    HZ   PHE 547           HZ       PHE 547  -3.528   0.968  -0.822
  198    H    ILE 548           H        ILE 548   2.341  -1.772   0.815
  199    HA   ILE 548           HA       ILE 548   4.909  -2.838   0.052
  200    HB   ILE 548           HB       ILE 548   2.708  -3.989   1.769
  201   1HG1  ILE 548          2HG1      ILE 548   5.181  -3.464   3.119
  202   2HG1  ILE 548          1HG1      ILE 548   4.699  -2.017   2.234
  203   1HG2  ILE 548          1HG2      ILE 548   3.779  -5.914   1.129
  204   2HG2  ILE 548          2HG2      ILE 548   4.773  -5.444   2.509
  205   3HG2  ILE 548          3HG2      ILE 548   5.321  -5.098   0.868
  206   1HD1  ILE 548          1HD1      ILE 548   3.894  -2.528   4.709
  207   2HD1  ILE 548          2HD1      ILE 548   2.618  -3.378   3.836
  208   3HD1  ILE 548          3HD1      ILE 548   2.892  -1.660   3.546
  209    H    ASP 549           H        ASP 549   5.237  -4.739  -1.054
  210    HA   ASP 549           HA       ASP 549   2.997  -5.705  -2.698
  211   1HB   ASP 549          2HB       ASP 549   4.418  -4.263  -4.059
  212   2HB   ASP 549          1HB       ASP 549   5.840  -5.183  -3.591
  213    H    HIS 550           H        HIS 550   2.600  -7.686  -1.927
  214    HA   HIS 550           HA       HIS 550   4.647  -9.386  -0.867
  215   1HB   HIS 550          2HB       HIS 550   1.755  -9.969  -1.541
  216   2HB   HIS 550          1HB       HIS 550   2.820 -11.041  -0.638
  217    HD2  HIS 550           2HD      HIS 550   2.434  -7.188   0.042
  218    HE1  HIS 550           1HE      HIS 550   1.183  -9.390   3.432
  219    HE2  HIS 550           2HE      HIS 550   1.774  -7.089   2.549
  220    H    ALA 551           H        ALA 551   3.140  -8.927  -3.954
  221    HA   ALA 551           HA       ALA 551   3.506 -11.372  -5.188
  222   1HB   ALA 551          1HB       ALA 551   2.837 -10.270  -7.007
  223   2HB   ALA 551          2HB       ALA 551   4.231  -9.189  -6.953
  224   3HB   ALA 551          3HB       ALA 551   2.791  -8.821  -6.003
  225    H    SER 552           H        SER 552   5.846  -8.905  -4.395
  226    HA   SER 552           HA       SER 552   7.994 -10.746  -5.164
  227   1HB   SER 552          2HB       SER 552   7.385  -8.373  -6.564
  228   2HB   SER 552          1HB       SER 552   8.835  -8.031  -5.619
  229    HG   SER 552           HG       SER 552   9.320  -8.939  -7.671
  230    H    ARG 553           H        ARG 553   6.611  -9.465  -2.650
  231    HA   ARG 553           HA       ARG 553   7.229  -8.763  -0.578
  232   1HB   ARG 553          2HB       ARG 553   9.663 -10.300  -1.460
  233   2HB   ARG 553          1HB       ARG 553   9.524  -9.614   0.153
  234   1HG   ARG 553          2HG       ARG 553   7.646 -11.627  -1.070
  235   2HG   ARG 553          1HG       ARG 553   8.903 -11.970   0.120
  236   1HD   ARG 553          2HD       ARG 553   7.644 -10.093   1.478
  237   2HD   ARG 553          1HD       ARG 553   6.294 -10.574   0.450
  238    HE   ARG 553           HE       ARG 553   6.091 -12.456   1.716
  239   1HH1  ARG 553          1HH1      ARG 553   9.323 -11.217   2.093
  240   2HH1  ARG 553          2HH1      ARG 553   9.774 -12.391   3.283
  241   1HH2  ARG 553          1HH2      ARG 553   6.676 -14.009   3.283
  242   2HH2  ARG 553          2HH2      ARG 553   8.269 -13.980   3.960
  243    H    ARG 554           H        ARG 554   7.211  -6.576  -1.865
  244    HA   ARG 554           HA       ARG 554   9.646  -5.183  -1.075
  245   1HB   ARG 554          2HB       ARG 554   8.508  -4.756  -3.831
  246   2HB   ARG 554          1HB       ARG 554  10.009  -4.129  -3.170
  247   1HG   ARG 554          2HG       ARG 554  10.797  -6.521  -3.010
  248   2HG   ARG 554          1HG       ARG 554   9.380  -6.952  -3.969
  249   1HD   ARG 554          2HD       ARG 554  11.540  -6.598  -5.245
  250   2HD   ARG 554          1HD       ARG 554  10.131  -5.711  -5.825
  251    HE   ARG 554           HE       ARG 554  11.161  -3.740  -5.240
  252   1HH1  ARG 554          1HH1      ARG 554  12.900  -6.423  -3.860
  253   2HH1  ARG 554          2HH1      ARG 554  14.252  -5.460  -3.365
  254   1HH2  ARG 554          1HH2      ARG 554  12.936  -2.463  -4.593
  255   2HH2  ARG 554          2HH2      ARG 554  14.272  -3.208  -3.781
  256    H    THR 555           H        THR 555   9.118  -2.706  -2.134
  257    HA   THR 555           HA       THR 555   6.402  -1.983  -1.327
  258    HB   THR 555           HB       THR 555   7.193  -0.171   0.135
  259    HG1  THR 555           1HG      THR 555   9.700  -1.194  -0.633
  260   1HG2  THR 555          1HG2      THR 555   8.047  -1.601   2.008
  261   2HG2  THR 555          2HG2      THR 555   8.139  -2.942   0.865
  262   3HG2  THR 555          3HG2      THR 555   6.580  -2.207   1.238
  263    H    THR 556           H        THR 556   6.410   0.653  -1.441
  264    HA   THR 556           HA       THR 556   7.990   1.911  -3.381
  265    HB   THR 556           HB       THR 556   7.116   0.577  -5.099
  266    HG1  THR 556           1HG      THR 556   5.546   2.087  -6.142
  267   1HG2  THR 556          1HG2      THR 556   5.214  -0.573  -4.919
  268   2HG2  THR 556          2HG2      THR 556   4.273   0.917  -4.831
  269   3HG2  THR 556          3HG2      THR 556   4.940   0.207  -3.361
  270    H    TRP 557           H        TRP 557   7.118   4.018  -4.049
  271    HA   TRP 557           HA       TRP 557   5.587   5.199  -1.891
  272   1HB   TRP 557          2HB       TRP 557   6.937   6.404  -4.307
  273   2HB   TRP 557          1HB       TRP 557   6.090   7.337  -3.082
  274    HD1  TRP 557           HD       TRP 557   9.439   6.784  -3.957
  275    HE1  TRP 557           1HE      TRP 557  11.034   6.803  -1.938
  276    HE3  TRP 557           3HE      TRP 557   6.018   6.123  -0.230
  277    HZ2  TRP 557           2HZ      TRP 557  10.862   6.571   0.870
  278    HZ3  TRP 557           3HZ      TRP 557   6.813   6.034   2.102
  279    HH2  TRP 557           HH       TRP 557   9.186   6.250   2.637
  280    H    ILE 558           H        ILE 558   4.487   3.514  -4.353
  281    HA   ILE 558           HA       ILE 558   2.238   5.351  -4.819
  282    HB   ILE 558           HB       ILE 558   3.372   3.478  -6.889
  283   1HG1  ILE 558          2HG1      ILE 558   4.803   5.503  -6.150
  284   2HG1  ILE 558          1HG1      ILE 558   4.508   5.276  -7.874
  285   1HG2  ILE 558          1HG2      ILE 558   1.069   5.364  -6.812
  286   2HG2  ILE 558          2HG2      ILE 558   1.182   3.751  -7.515
  287   3HG2  ILE 558          3HG2      ILE 558   1.928   5.124  -8.333
  288   1HD1  ILE 558          1HD1      ILE 558   4.158   7.599  -6.488
  289   2HD1  ILE 558          2HD1      ILE 558   2.517   6.956  -6.561
  290   3HD1  ILE 558          3HD1      ILE 558   3.427   7.220  -8.047
  291    H    ASP 559           H        ASP 559   0.207   4.421  -5.086
  292    HA   ASP 559           HA       ASP 559  -0.008   1.701  -4.013
  293   1HB   ASP 559          2HB       ASP 559  -2.354   2.372  -3.451
  294   2HB   ASP 559          1HB       ASP 559  -1.118   3.324  -2.636
  295    HA   PRO 560           HA       PRO 560  -1.123   0.419  -8.179
  296   1HB   PRO 560          2HB       PRO 560  -2.329  -1.950  -7.282
  297   2HB   PRO 560          1HB       PRO 560  -0.657  -1.764  -7.811
  298   1HG   PRO 560          2HG       PRO 560  -1.773  -1.845  -5.057
  299   2HG   PRO 560          1HG       PRO 560  -0.207  -2.404  -5.660
  300   1HD   PRO 560          2HD       PRO 560  -0.468  -0.147  -4.225
  301   2HD   PRO 560          1HD       PRO 560   0.744  -0.309  -5.512
  302    H    ARG 561           H        ARG 561  -3.316   0.292  -5.412
  303    HA   ARG 561           HA       ARG 561  -5.737  -0.112  -6.651
  304   1HB   ARG 561          2HB       ARG 561  -6.590   1.546  -4.798
  305   2HB   ARG 561          1HB       ARG 561  -5.934  -0.026  -4.360
  306   1HG   ARG 561          2HG       ARG 561  -4.144   0.859  -3.330
  307   2HG   ARG 561          1HG       ARG 561  -3.974   2.159  -4.511
  308   1HD   ARG 561          2HD       ARG 561  -4.757   3.495  -2.903
  309   2HD   ARG 561          1HD       ARG 561  -6.330   2.791  -3.268
  310    HE   ARG 561           HE       ARG 561  -5.380   1.062  -1.471
  311   1HH1  ARG 561          1HH1      ARG 561  -5.502   4.548  -1.465
  312   2HH1  ARG 561          2HH1      ARG 561  -5.561   4.668   0.261
  313   1HH2  ARG 561          1HH2      ARG 561  -5.461   1.216   0.801
  314   2HH2  ARG 561          2HH2      ARG 561  -5.537   2.778   1.547
  315    H    ASN 562           H        ASN 562  -3.763   2.772  -6.629
  316    HA   ASN 562           HA       ASN 562  -5.655   4.007  -8.508
  317   1HB   ASN 562          2HB       ASN 562  -4.093   5.706  -6.589
  318   2HB   ASN 562          1HB       ASN 562  -5.561   6.100  -7.479
  319   1HD2  ASN 562          1HD2      ASN 562  -4.398   5.479  -4.511
  320   2HD2  ASN 562          2HD2      ASN 562  -5.823   4.878  -3.743
  321    H    GLY 563           H        GLY 563  -2.438   4.712  -7.136
  322   1HA   GLY 563          2HA       GLY 563  -0.497   4.227  -8.621
  323   2HA   GLY 563          1HA       GLY 563  -1.446   4.955  -9.909
  324    H    ARG 564           H        ARG 564  -1.142   6.111  -6.585
  325    HA   ARG 564           HA       ARG 564   0.520   8.337  -7.504
  326   1HB   ARG 564          2HB       ARG 564  -2.115   8.648  -6.055
  327   2HB   ARG 564          1HB       ARG 564  -0.949   9.945  -6.279
  328   1HG   ARG 564          2HG       ARG 564  -1.592  10.315  -8.384
  329   2HG   ARG 564          1HG       ARG 564  -1.675   8.593  -8.760
  330   1HD   ARG 564          2HD       ARG 564  -3.839   8.466  -7.594
  331   2HD   ARG 564          1HD       ARG 564  -3.759  10.201  -7.285
  332    HE   ARG 564           HE       ARG 564  -3.546   9.495 -10.068
  333   1HH1  ARG 564          1HH1      ARG 564  -5.720  10.216  -7.445
  334   2HH1  ARG 564          2HH1      ARG 564  -7.015  10.713  -8.482
  335   1HH2  ARG 564          1HH2      ARG 564  -5.247  10.151 -11.444
  336   2HH2  ARG 564          2HH2      ARG 564  -6.746  10.676 -10.754
  337    H    ALA 565           H        ALA 565   1.049   9.783  -5.503
  338    HA   ALA 565           HA       ALA 565   2.637   8.340  -3.773
  339   1HB   ALA 565          1HB       ALA 565   2.936  10.346  -2.529
  340   2HB   ALA 565          2HB       ALA 565   1.393  10.995  -3.087
  341   3HB   ALA 565          3HB       ALA 565   2.733  10.808  -4.220
  342    H    SER 566           H        SER 566   1.968   6.765  -2.476
  343    HA   SER 566           HA       SER 566  -0.592   6.539  -1.349
  344   1HB   SER 566          2HB       SER 566   0.461   4.497  -1.405
  345   2HB   SER 566          1HB       SER 566   2.031   5.174  -0.968
  346    HG   SER 566           HG       SER 566   1.384   4.124   0.824
  347   1H    THR 227          1HT       THR 227  18.270   7.546  -0.617
  348   2H    THR 227          2HT       THR 227  17.604   8.329   0.725
  349   3H    THR 227          3HT       THR 227  17.328   8.935  -0.831
  350    HA   THR 227           HA       THR 227  15.448   7.805  -0.856
  351    HB   THR 227           HB       THR 227  15.966   5.134  -0.799
  352    HG1  THR 227           1HG      THR 227  18.209   5.548  -0.372
  353   1HG2  THR 227          1HG2      THR 227  15.266   6.983  -2.675
  354   2HG2  THR 227          2HG2      THR 227  15.501   5.265  -3.001
  355   3HG2  THR 227          3HG2      THR 227  16.808   6.408  -3.309
  356    H    GLY 228           H        GLY 228  13.838   7.176   0.493
  357   1HA   GLY 228          2HA       GLY 228  14.586   5.850   3.010
  358   2HA   GLY 228          1HA       GLY 228  13.664   7.346   3.066
  359    H    LEU 229           H        LEU 229  13.463   4.360   1.115
  360    HA   LEU 229           HA       LEU 229  10.607   4.236   1.830
  361   1HB   LEU 229          2HB       LEU 229  10.857   4.595  -0.527
  362   2HB   LEU 229          1HB       LEU 229  12.043   3.312  -0.654
  363    HG   LEU 229           HG       LEU 229  10.119   1.765   0.145
  364   1HD1  LEU 229          1HD1      LEU 229   8.253   3.568  -1.219
  365   2HD1  LEU 229          2HD1      LEU 229   8.763   4.105   0.382
  366   3HD1  LEU 229          3HD1      LEU 229   8.010   2.523   0.180
  367   1HD2  LEU 229          1HD2      LEU 229   9.753   2.897  -2.602
  368   2HD2  LEU 229          2HD2      LEU 229   9.657   1.221  -2.065
  369   3HD2  LEU 229          3HD2      LEU 229  11.223   2.024  -2.172
  370    HA   PRO 230           HA       PRO 230  12.591   0.749   4.199
  371   1HB   PRO 230          2HB       PRO 230   9.761   0.938   5.164
  372   2HB   PRO 230          1HB       PRO 230  11.240   0.628   6.081
  373   1HG   PRO 230          2HG       PRO 230  10.114   3.038   6.111
  374   2HG   PRO 230          1HG       PRO 230  11.878   2.860   6.064
  375   1HD   PRO 230          2HD       PRO 230  10.002   3.688   3.913
  376   2HD   PRO 230          1HD       PRO 230  11.698   4.139   4.172
  377    H    SER 231           H        SER 231  12.743  -0.757   2.564
  378    HA   SER 231           HA       SER 231  10.758  -1.726   0.920
  379   1HB   SER 231          2HB       SER 231  12.903  -3.536   2.008
  380   2HB   SER 231          1HB       SER 231  12.205  -3.506   0.390
  381    HG   SER 231           HG       SER 231  14.370  -2.253   1.256
  382    H    TYR 232           H        TYR 232  10.056  -4.132   0.968
  383    HA   TYR 232           HA       TYR 232   8.447  -4.442   3.359
  384   1HB   TYR 232          2HB       TYR 232   7.331  -4.706   1.242
  385   2HB   TYR 232          1HB       TYR 232   8.498  -5.913   0.721
  386    HD1  TYR 232           1HD      TYR 232   7.532  -6.257   4.162
  387    HD2  TYR 232           2HD      TYR 232   6.392  -7.206   0.176
  388    HE1  TYR 232           1HE      TYR 232   6.062  -8.033   5.015
  389    HE2  TYR 232           2HE      TYR 232   4.918  -8.989   1.018
  390    HH   TYR 232           HH       TYR 232   4.969 -10.009   4.325
  391    H    ASP 233           H        ASP 233  10.279  -4.926   4.737
  392    HA   ASP 233           HA       ASP 233  10.513  -7.641   5.339
  393   1HB   ASP 233          2HB       ASP 233  11.913  -7.605   3.240
  394   2HB   ASP 233          1HB       ASP 233  13.037  -6.546   4.086
  395    H    GLU 234           H        GLU 234  12.061  -4.482   5.428
  396    HA   GLU 234           HA       GLU 234  13.015  -4.984   8.150
  397   1HB   GLU 234          2HB       GLU 234  14.103  -2.690   7.801
  398   2HB   GLU 234          1HB       GLU 234  14.729  -4.032   6.852
  399   1HG   GLU 234          2HG       GLU 234  14.072  -3.136   4.905
  400   2HG   GLU 234          1HG       GLU 234  12.566  -2.514   5.579
  401    H    ALA 235           H        ALA 235  10.672  -3.175   6.338
  402    HA   ALA 235           HA       ALA 235   9.841  -1.734   8.764
  403   1HB   ALA 235          1HB       ALA 235   9.984  -1.003   5.977
  404   2HB   ALA 235          2HB       ALA 235   9.736   0.016   7.396
  405   3HB   ALA 235          3HB       ALA 235   8.357  -0.759   6.614
  406    H    LEU 236           H        LEU 236   9.014  -3.982   9.353
  407    HA   LEU 236           HA       LEU 236   6.174  -4.028   8.852
  408   1HB   LEU 236          2HB       LEU 236   7.541  -5.433   7.060
  409   2HB   LEU 236          1HB       LEU 236   7.521  -6.630   8.342
  410    HG   LEU 236           HG       LEU 236   4.882  -5.791   8.192
  411   1HD1  LEU 236          1HD1      LEU 236   4.886  -4.696   6.182
  412   2HD1  LEU 236          2HD1      LEU 236   4.562  -6.346   5.648
  413   3HD1  LEU 236          3HD1      LEU 236   6.192  -5.682   5.521
  414   1HD2  LEU 236          1HD2      LEU 236   4.553  -8.028   7.115
  415   2HD2  LEU 236          2HD2      LEU 236   5.512  -8.049   8.595
  416   3HD2  LEU 236          3HD2      LEU 236   6.309  -8.170   7.026
  417    H    HIS 237           H        HIS 237   7.114  -3.426  11.192
  418    HA   HIS 237           HA       HIS 237   7.130  -5.902  12.786
  419   1HB   HIS 237          2HB       HIS 237   8.028  -4.268  14.598
  420   2HB   HIS 237          1HB       HIS 237   9.116  -4.811  13.325
  421    HD1  HIS 237           1HD      HIS 237   7.185  -1.793  14.462
  422    HD2  HIS 237           2HD      HIS 237  10.057  -2.820  11.640
  423    HE1  HIS 237           1HE      HIS 237   8.015   0.387  13.523
  424    HE2  HIS 237           2HE      HIS 237   9.802  -0.257  11.868
  Start of MODEL   15
    1   1H    GLY 521          1HT       GLY 521 -13.578  -3.970   9.625
    2   2H    GLY 521          2HT       GLY 521 -13.315  -5.244   8.544
    3   3H    GLY 521          3HT       GLY 521 -13.693  -3.702   7.958
    4   1HA   GLY 521          2HA       GLY 521 -11.462  -3.642   7.636
    5   2HA   GLY 521          1HA       GLY 521 -11.163  -4.749   8.968
    6    HA   PRO 522           HA       PRO 522 -10.063  -1.379  11.570
    7   1HB   PRO 522          2HB       PRO 522  -7.605  -0.604  10.720
    8   2HB   PRO 522          1HB       PRO 522  -7.891  -2.121  11.581
    9   1HG   PRO 522          2HG       PRO 522  -7.565  -1.641   8.645
   10   2HG   PRO 522          1HG       PRO 522  -6.893  -2.939   9.649
   11   1HD   PRO 522          2HD       PRO 522  -9.077  -3.283   8.078
   12   2HD   PRO 522          1HD       PRO 522  -8.849  -4.154   9.608
   13    H    LEU 523           H        LEU 523  -9.712  -0.724   8.126
   14    HA   LEU 523           HA       LEU 523 -10.850   1.921   8.530
   15   1HB   LEU 523          2HB       LEU 523  -8.400   2.244   8.668
   16   2HB   LEU 523          1HB       LEU 523  -8.233   1.536   7.072
   17    HG   LEU 523           HG       LEU 523  -9.689   3.406   6.201
   18   1HD1  LEU 523          1HD1      LEU 523 -10.786   4.161   8.155
   19   2HD1  LEU 523          2HD1      LEU 523  -9.691   5.455   7.669
   20   3HD1  LEU 523          3HD1      LEU 523  -9.260   4.393   9.009
   21   1HD2  LEU 523          1HD2      LEU 523  -7.538   3.798   5.606
   22   2HD2  LEU 523          2HD2      LEU 523  -6.936   3.646   7.256
   23   3HD2  LEU 523          3HD2      LEU 523  -7.727   5.135   6.740
   24    H    GLY 524           H        GLY 524 -12.475   2.065   7.143
   25   1HA   GLY 524          2HA       GLY 524 -12.212   1.765   4.363
   26   2HA   GLY 524          1HA       GLY 524 -12.906   0.286   5.012
   27    H    SER 525           H        SER 525 -13.339   3.805   5.418
   28    HA   SER 525           HA       SER 525 -16.150   3.485   5.938
   29   1HB   SER 525          2HB       SER 525 -15.082   5.280   7.085
   30   2HB   SER 525          1HB       SER 525 -14.375   5.905   5.594
   31    HG   SER 525           HG       SER 525 -16.284   7.039   6.383
   32    H    GLY 526           H        GLY 526 -14.159   4.080   3.170
   33   1HA   GLY 526          2HA       GLY 526 -15.578   3.413   1.113
   34   2HA   GLY 526          1HA       GLY 526 -16.510   4.831   1.569
   35    H    GLU 527           H        GLU 527 -15.020   4.279  -0.894
   36    HA   GLU 527           HA       GLU 527 -13.789   5.466  -2.398
   37   1HB   GLU 527          2HB       GLU 527 -14.985   7.416  -1.339
   38   2HB   GLU 527          1HB       GLU 527 -13.591   7.618  -0.286
   39   1HG   GLU 527          2HG       GLU 527 -12.565   7.502  -2.884
   40   2HG   GLU 527          1HG       GLU 527 -13.996   8.527  -2.974
   41    H    GLU 528           H        GLU 528 -12.508   3.569  -0.827
   42    HA   GLU 528           HA       GLU 528  -9.779   4.497  -1.029
   43   1HB   GLU 528          2HB       GLU 528 -10.961   4.756   1.434
   44   2HB   GLU 528          1HB       GLU 528 -10.215   3.168   1.555
   45   1HG   GLU 528          2HG       GLU 528  -8.064   4.176   0.870
   46   2HG   GLU 528          1HG       GLU 528  -8.839   5.759   0.889
   47    H    GLU 529           H        GLU 529  -9.123   2.947  -2.400
   48    HA   GLU 529           HA       GLU 529 -10.062   0.381  -2.677
   49   1HB   GLU 529          2HB       GLU 529  -8.194   1.812  -3.959
   50   2HB   GLU 529          1HB       GLU 529  -7.138   0.748  -3.040
   51   1HG   GLU 529          2HG       GLU 529  -7.671  -0.069  -5.318
   52   2HG   GLU 529          1HG       GLU 529  -8.108  -1.191  -4.030
   53    HA   PRO 530           HA       PRO 530  -8.515  -1.664   0.949
   54   1HB   PRO 530          2HB       PRO 530  -9.347  -4.138   0.410
   55   2HB   PRO 530          1HB       PRO 530 -10.500  -2.835   0.725
   56   1HG   PRO 530          2HG       PRO 530  -9.683  -4.066  -1.868
   57   2HG   PRO 530          1HG       PRO 530 -11.278  -3.497  -1.349
   58   1HD   PRO 530          2HD       PRO 530  -9.495  -2.086  -2.964
   59   2HD   PRO 530          1HD       PRO 530 -10.871  -1.387  -2.089
   60    H    LEU 531           H        LEU 531  -6.584  -1.307  -1.311
   61    HA   LEU 531           HA       LEU 531  -4.525  -2.061  -1.901
   62   1HB   LEU 531          2HB       LEU 531  -4.614  -4.176   0.204
   63   2HB   LEU 531          1HB       LEU 531  -3.269  -3.173  -0.308
   64    HG   LEU 531           HG       LEU 531  -5.614  -2.238   1.349
   65   1HD1  LEU 531          1HD1      LEU 531  -4.361  -2.491   3.223
   66   2HD1  LEU 531          2HD1      LEU 531  -2.834  -2.272   2.367
   67   3HD1  LEU 531          3HD1      LEU 531  -3.687  -3.813   2.269
   68   1HD2  LEU 531          1HD2      LEU 531  -3.070  -0.773   0.678
   69   2HD2  LEU 531          2HD2      LEU 531  -4.480  -0.152   1.538
   70   3HD2  LEU 531          3HD2      LEU 531  -4.593  -0.537  -0.179
   71    HA   PRO 532           HA       PRO 532  -5.670  -5.207  -4.829
   72   1HB   PRO 532          2HB       PRO 532  -2.708  -5.513  -4.996
   73   2HB   PRO 532          1HB       PRO 532  -3.900  -5.349  -6.292
   74   1HG   PRO 532          2HG       PRO 532  -2.393  -3.288  -5.601
   75   2HG   PRO 532          1HG       PRO 532  -4.107  -3.056  -5.988
   76   1HD   PRO 532          2HD       PRO 532  -2.753  -3.067  -3.326
   77   2HD   PRO 532          1HD       PRO 532  -4.133  -2.102  -3.887
   78    HA   PRO 533           HA       PRO 533  -5.246  -9.270  -3.251
   79   1HB   PRO 533          2HB       PRO 533  -3.631 -10.260  -5.493
   80   2HB   PRO 533          1HB       PRO 533  -5.243 -10.742  -4.966
   81   1HG   PRO 533          2HG       PRO 533  -4.880  -9.313  -7.197
   82   2HG   PRO 533          1HG       PRO 533  -6.277  -9.028  -6.140
   83   1HD   PRO 533          2HD       PRO 533  -3.723  -7.482  -6.371
   84   2HD   PRO 533          1HD       PRO 533  -5.388  -6.885  -6.209
   85    H    ARG 534           H        ARG 534  -2.273  -7.746  -3.953
   86    HA   ARG 534           HA       ARG 534  -0.987  -9.512  -2.004
   87   1HB   ARG 534          2HB       ARG 534   0.036  -8.970  -4.783
   88   2HB   ARG 534          1HB       ARG 534   1.084  -9.530  -3.486
   89   1HG   ARG 534          2HG       ARG 534  -1.406 -11.026  -4.213
   90   2HG   ARG 534          1HG       ARG 534   0.099 -11.259  -5.104
   91   1HD   ARG 534          2HD       ARG 534   1.227 -12.050  -3.189
   92   2HD   ARG 534          1HD       ARG 534  -0.045 -11.479  -2.109
   93    HE   ARG 534           HE       ARG 534  -1.139 -13.448  -2.458
   94   1HH1  ARG 534          1HH1      ARG 534   1.099 -12.945  -5.078
   95   2HH1  ARG 534          2HH1      ARG 534   0.802 -14.490  -5.801
   96   1HH2  ARG 534          1HH2      ARG 534  -1.540 -15.485  -3.401
   97   2HH2  ARG 534          2HH2      ARG 534  -0.698 -15.936  -4.846
   98    H    TRP 535           H        TRP 535  -1.873  -6.952  -1.499
   99    HA   TRP 535           HA       TRP 535   0.701  -5.640  -1.041
  100   1HB   TRP 535          2HB       TRP 535  -1.705  -4.283  -2.237
  101   2HB   TRP 535          1HB       TRP 535  -0.276  -3.436  -1.651
  102    HD1  TRP 535           HD       TRP 535  -1.093  -6.215  -4.235
  103    HE1  TRP 535           1HE      TRP 535   0.478  -5.913  -6.246
  104    HE3  TRP 535           3HE      TRP 535   1.682  -2.299  -2.491
  105    HZ2  TRP 535           2HZ      TRP 535   2.629  -4.223  -6.989
  106    HZ3  TRP 535           3HZ      TRP 535   3.481  -1.400  -3.909
  107    HH2  TRP 535           HH       TRP 535   3.943  -2.345  -6.111
  108    H    SER 536           H        SER 536   0.510  -3.763   0.467
  109    HA   SER 536           HA       SER 536  -1.692  -3.936   2.365
  110   1HB   SER 536          2HB       SER 536   0.681  -5.329   2.823
  111   2HB   SER 536          1HB       SER 536   0.835  -3.875   3.796
  112    HG   SER 536           HG       SER 536  -0.580  -4.671   5.117
  113    H    MET 537           H        MET 537  -0.294  -2.430   4.391
  114    HA   MET 537           HA       MET 537   0.543   0.017   3.057
  115   1HB   MET 537          2HB       MET 537  -1.900  -0.213   4.801
  116   2HB   MET 537          1HB       MET 537  -1.091   1.322   4.505
  117   1HG   MET 537          2HG       MET 537  -1.390   0.568   1.986
  118   2HG   MET 537          1HG       MET 537  -2.719  -0.354   2.684
  119   1HE   MET 537          1HE       MET 537  -5.444   1.890   3.256
  120   2HE   MET 537          2HE       MET 537  -4.490   1.590   4.708
  121   3HE   MET 537          3HE       MET 537  -4.666   0.325   3.491
  122    H    GLN 538           H        GLN 538   1.824   1.345   4.323
  123    HA   GLN 538           HA       GLN 538   2.100   0.994   7.142
  124   1HB   GLN 538          2HB       GLN 538   3.295  -1.015   6.377
  125   2HB   GLN 538          1HB       GLN 538   4.343  -0.015   5.381
  126   1HG   GLN 538          2HG       GLN 538   5.697  -0.245   7.172
  127   2HG   GLN 538          1HG       GLN 538   4.791   1.165   7.716
  128   1HE2  GLN 538          1HE2      GLN 538   5.553  -2.115   8.282
  129   2HE2  GLN 538          2HE2      GLN 538   4.598  -2.332   9.704
  130    H    VAL 539           H        VAL 539   2.918   2.795   8.034
  131    HA   VAL 539           HA       VAL 539   3.701   4.965   6.288
  132    HB   VAL 539           HB       VAL 539   3.791   5.102   9.288
  133   1HG1  VAL 539          1HG1      VAL 539   3.352   7.045   7.045
  134   2HG1  VAL 539          2HG1      VAL 539   4.581   7.072   8.310
  135   3HG1  VAL 539          3HG1      VAL 539   2.900   7.431   8.706
  136   1HG2  VAL 539          1HG2      VAL 539   1.478   4.452   7.704
  137   2HG2  VAL 539          2HG2      VAL 539   1.270   6.016   8.491
  138   3HG2  VAL 539          3HG2      VAL 539   1.636   4.586   9.455
  139    H    ALA 540           H        ALA 540   5.705   5.781   6.007
  140    HA   ALA 540           HA       ALA 540   7.908   4.378   7.360
  141   1HB   ALA 540          1HB       ALA 540   8.533   3.989   5.249
  142   2HB   ALA 540          2HB       ALA 540   9.054   5.674   5.238
  143   3HB   ALA 540          3HB       ALA 540   7.466   5.238   4.607
  144    HA   PRO 541           HA       PRO 541   9.341   8.045   9.340
  145   1HB   PRO 541          2HB       PRO 541  12.045   7.900   8.963
  146   2HB   PRO 541          1HB       PRO 541  11.167   6.907  10.133
  147   1HG   PRO 541          2HG       PRO 541  12.105   6.206   7.379
  148   2HG   PRO 541          1HG       PRO 541  12.169   5.239   8.865
  149   1HD   PRO 541          2HD       PRO 541  10.287   4.837   6.979
  150   2HD   PRO 541          1HD       PRO 541   9.945   4.622   8.709
  151    H    ASN 542           H        ASN 542  10.170   7.455   6.022
  152    HA   ASN 542           HA       ASN 542  11.509   9.727   5.258
  153   1HB   ASN 542          2HB       ASN 542  10.850   7.737   3.824
  154   2HB   ASN 542          1HB       ASN 542   9.274   8.500   3.640
  155   1HD2  ASN 542          1HD2      ASN 542   9.576   8.671   1.415
  156   2HD2  ASN 542          2HD2      ASN 542  10.631   9.852   0.726
  157    H    GLY 543           H        GLY 543   8.015   9.295   5.689
  158   1HA   GLY 543          2HA       GLY 543   7.095  11.458   6.753
  159   2HA   GLY 543          1HA       GLY 543   7.650  12.182   5.252
  160    H    ARG 544           H        ARG 544   6.813   9.393   4.055
  161    HA   ARG 544           HA       ARG 544   3.929   9.929   3.976
  162   1HB   ARG 544          2HB       ARG 544   3.851   9.698   1.602
  163   2HB   ARG 544          1HB       ARG 544   5.101  10.879   1.972
  164   1HG   ARG 544          2HG       ARG 544   6.169   8.194   1.828
  165   2HG   ARG 544          1HG       ARG 544   5.348   8.662   0.340
  166   1HD   ARG 544          2HD       ARG 544   7.522  10.217   1.734
  167   2HD   ARG 544          1HD       ARG 544   7.714   9.249   0.274
  168    HE   ARG 544           HE       ARG 544   5.706  11.118  -0.210
  169   1HH1  ARG 544          1HH1      ARG 544   9.126  11.055   0.440
  170   2HH1  ARG 544          2HH1      ARG 544   9.452  12.513  -0.438
  171   1HH2  ARG 544          1HH2      ARG 544   6.125  13.041  -1.369
  172   2HH2  ARG 544          2HH2      ARG 544   7.747  13.642  -1.465
  173    H    THR 545           H        THR 545   2.618   8.141   3.297
  174    HA   THR 545           HA       THR 545   3.574   5.651   4.377
  175    HB   THR 545           HB       THR 545   1.199   4.956   3.335
  176    HG1  THR 545           1HG      THR 545  -0.125   6.960   3.777
  177   1HG2  THR 545          1HG2      THR 545   1.946   6.291   5.897
  178   2HG2  THR 545          2HG2      THR 545   1.406   4.637   5.604
  179   3HG2  THR 545          3HG2      THR 545   0.244   5.964   5.572
  180    H    PHE 546           H        PHE 546   3.847   3.718   3.261
  181    HA   PHE 546           HA       PHE 546   4.044   4.018   0.344
  182   1HB   PHE 546          2HB       PHE 546   5.834   2.235   0.521
  183   2HB   PHE 546          1HB       PHE 546   6.251   3.821   1.155
  184    HD1  PHE 546           1HD      PHE 546   5.970   0.333   1.851
  185    HD2  PHE 546           2HD      PHE 546   6.089   4.189   3.660
  186    HE1  PHE 546           1HE      PHE 546   6.576  -0.701   3.999
  187    HE2  PHE 546           2HE      PHE 546   6.701   3.153   5.811
  188    HZ   PHE 546           HZ       PHE 546   6.943   0.710   5.983
  189    H    PHE 547           H        PHE 547   4.125   1.773  -0.741
  190    HA   PHE 547           HA       PHE 547   1.960   0.134   0.396
  191   1HB   PHE 547          2HB       PHE 547   2.265   1.341  -2.212
  192   2HB   PHE 547          1HB       PHE 547   2.064  -0.401  -2.344
  193    HD1  PHE 547           1HD      PHE 547   0.545   2.662  -0.919
  194    HD2  PHE 547           2HD      PHE 547  -0.035  -1.390  -2.079
  195    HE1  PHE 547           1HE      PHE 547  -1.880   2.923  -0.599
  196    HE2  PHE 547           2HE      PHE 547  -2.462  -1.137  -1.764
  197    HZ   PHE 547           HZ       PHE 547  -3.388   1.021  -1.024
  198    H    ILE 548           H        ILE 548   2.358  -1.878   0.811
  199    HA   ILE 548           HA       ILE 548   4.941  -2.983   0.115
  200    HB   ILE 548           HB       ILE 548   2.713  -4.012   1.870
  201   1HG1  ILE 548          2HG1      ILE 548   5.182  -3.607   3.226
  202   2HG1  ILE 548          1HG1      ILE 548   4.863  -2.170   2.257
  203   1HG2  ILE 548          1HG2      ILE 548   3.793  -5.951   1.021
  204   2HG2  ILE 548          2HG2      ILE 548   4.447  -5.676   2.636
  205   3HG2  ILE 548          3HG2      ILE 548   5.389  -5.227   1.215
  206   1HD1  ILE 548          1HD1      ILE 548   2.717  -3.317   3.987
  207   2HD1  ILE 548          2HD1      ILE 548   2.938  -1.662   3.418
  208   3HD1  ILE 548          3HD1      ILE 548   3.985  -2.307   4.684
  209    H    ASP 549           H        ASP 549   5.256  -4.831  -1.057
  210    HA   ASP 549           HA       ASP 549   2.965  -5.786  -2.639
  211   1HB   ASP 549          2HB       ASP 549   4.381  -4.431  -4.054
  212   2HB   ASP 549          1HB       ASP 549   5.813  -5.308  -3.532
  213    H    HIS 550           H        HIS 550   2.497  -7.767  -1.938
  214    HA   HIS 550           HA       HIS 550   4.419  -9.496  -0.732
  215   1HB   HIS 550          2HB       HIS 550   1.602 -10.063  -1.680
  216   2HB   HIS 550          1HB       HIS 550   2.571 -11.137  -0.675
  217    HD2  HIS 550           2HD      HIS 550   2.082  -7.277  -0.076
  218    HE1  HIS 550           1HE      HIS 550   0.606  -9.461   3.234
  219    HE2  HIS 550           2HE      HIS 550   1.211  -7.159   2.364
  220    H    ALA 551           H        ALA 551   3.048  -9.163  -3.937
  221    HA   ALA 551           HA       ALA 551   3.616 -11.594  -5.089
  222   1HB   ALA 551          1HB       ALA 551   3.964  -8.883  -6.367
  223   2HB   ALA 551          2HB       ALA 551   2.452  -9.784  -6.252
  224   3HB   ALA 551          3HB       ALA 551   3.784 -10.417  -7.219
  225    H    SER 552           H        SER 552   5.808  -8.820  -4.737
  226    HA   SER 552           HA       SER 552   8.058 -10.617  -5.353
  227   1HB   SER 552          2HB       SER 552   7.392  -8.195  -6.541
  228   2HB   SER 552          1HB       SER 552   8.696  -7.778  -5.430
  229    HG   SER 552           HG       SER 552  10.063  -8.976  -6.551
  230    H    ARG 553           H        ARG 553   6.534  -9.195  -2.785
  231    HA   ARG 553           HA       ARG 553   7.109  -8.834  -0.620
  232   1HB   ARG 553          2HB       ARG 553   9.610 -10.294  -1.476
  233   2HB   ARG 553          1HB       ARG 553   9.260  -9.840   0.187
  234   1HG   ARG 553          2HG       ARG 553   7.701 -11.746  -1.543
  235   2HG   ARG 553          1HG       ARG 553   8.677 -12.137  -0.126
  236   1HD   ARG 553          2HD       ARG 553   6.964 -10.281   0.888
  237   2HD   ARG 553          1HD       ARG 553   5.947 -11.078  -0.312
  238    HE   ARG 553           HE       ARG 553   7.383 -12.879   1.423
  239   1HH1  ARG 553          1HH1      ARG 553   4.473 -11.022   0.956
  240   2HH1  ARG 553          2HH1      ARG 553   3.519 -12.009   2.013
  241   1HH2  ARG 553          1HH2      ARG 553   6.135 -14.185   2.817
  242   2HH2  ARG 553          2HH2      ARG 553   4.464 -13.807   3.071
  243    H    ARG 554           H        ARG 554   7.203  -6.563  -1.753
  244    HA   ARG 554           HA       ARG 554   9.602  -5.283  -0.728
  245   1HB   ARG 554          2HB       ARG 554   8.729  -4.705  -3.553
  246   2HB   ARG 554          1HB       ARG 554  10.182  -4.152  -2.734
  247   1HG   ARG 554          2HG       ARG 554  11.041  -6.433  -2.694
  248   2HG   ARG 554          1HG       ARG 554   9.576  -7.000  -3.500
  249   1HD   ARG 554          2HD       ARG 554  10.943  -6.770  -5.312
  250   2HD   ARG 554          1HD       ARG 554  10.253  -5.148  -5.256
  251    HE   ARG 554           HE       ARG 554  12.629  -5.302  -3.711
  252   1HH1  ARG 554          1HH1      ARG 554  11.464  -5.120  -6.986
  253   2HH1  ARG 554          2HH1      ARG 554  12.895  -4.353  -7.591
  254   1HH2  ARG 554          1HH2      ARG 554  14.517  -4.291  -4.493
  255   2HH2  ARG 554          2HH2      ARG 554  14.633  -3.882  -6.172
  256    H    THR 555           H        THR 555   9.236  -2.751  -1.706
  257    HA   THR 555           HA       THR 555   6.478  -2.002  -1.066
  258    HB   THR 555           HB       THR 555   7.329  -0.161   0.415
  259    HG1  THR 555           1HG      THR 555   9.489  -0.662   1.315
  260   1HG2  THR 555          1HG2      THR 555   7.145  -1.451   2.295
  261   2HG2  THR 555          2HG2      THR 555   8.225  -2.699   1.677
  262   3HG2  THR 555          3HG2      THR 555   6.562  -2.609   1.102
  263    H    THR 556           H        THR 556   6.331   0.535  -1.278
  264    HA   THR 556           HA       THR 556   8.099   1.827  -3.082
  265    HB   THR 556           HB       THR 556   7.291   0.578  -4.871
  266    HG1  THR 556           1HG      THR 556   5.786   2.050  -5.955
  267   1HG2  THR 556          1HG2      THR 556   5.498  -0.556  -3.588
  268   2HG2  THR 556          2HG2      THR 556   4.984  -0.071  -5.203
  269   3HG2  THR 556          3HG2      THR 556   4.484   0.870  -3.798
  270    H    TRP 557           H        TRP 557   7.191   3.927  -3.870
  271    HA   TRP 557           HA       TRP 557   5.590   5.120  -1.746
  272   1HB   TRP 557          2HB       TRP 557   7.181   6.325  -4.013
  273   2HB   TRP 557          1HB       TRP 557   6.243   7.269  -2.861
  274    HD1  TRP 557           HD       TRP 557   9.639   6.609  -3.417
  275    HE1  TRP 557           1HE      TRP 557  11.034   6.553  -1.252
  276    HE3  TRP 557           3HE      TRP 557   5.857   6.031  -0.048
  277    HZ2  TRP 557           2HZ      TRP 557  10.583   6.292   1.524
  278    HZ3  TRP 557           3HZ      TRP 557   6.417   5.884   2.349
  279    HH2  TRP 557           HH       TRP 557   8.733   6.011   3.115
  280    H    ILE 558           H        ILE 558   4.531   3.431  -4.074
  281    HA   ILE 558           HA       ILE 558   2.454   5.350  -4.876
  282    HB   ILE 558           HB       ILE 558   3.554   3.235  -6.714
  283   1HG1  ILE 558          2HG1      ILE 558   5.183   5.106  -6.025
  284   2HG1  ILE 558          1HG1      ILE 558   4.936   4.837  -7.750
  285   1HG2  ILE 558          1HG2      ILE 558   2.326   4.410  -8.435
  286   2HG2  ILE 558          2HG2      ILE 558   1.814   5.633  -7.274
  287   3HG2  ILE 558          3HG2      ILE 558   1.237   3.973  -7.118
  288   1HD1  ILE 558          1HD1      ILE 558   3.045   6.761  -6.815
  289   2HD1  ILE 558          2HD1      ILE 558   4.326   6.944  -8.013
  290   3HD1  ILE 558          3HD1      ILE 558   4.669   7.228  -6.306
  291    H    ASP 559           H        ASP 559   0.388   4.506  -5.218
  292    HA   ASP 559           HA       ASP 559  -0.051   1.903  -3.947
  293   1HB   ASP 559          2HB       ASP 559  -2.442   2.765  -3.748
  294   2HB   ASP 559          1HB       ASP 559  -1.226   3.583  -2.772
  295    HA   PRO 560           HA       PRO 560  -0.798   0.371  -8.133
  296   1HB   PRO 560          2HB       PRO 560  -2.085  -1.932  -7.131
  297   2HB   PRO 560          1HB       PRO 560  -0.402  -1.796  -7.639
  298   1HG   PRO 560          2HG       PRO 560  -1.564  -1.739  -4.912
  299   2HG   PRO 560          1HG       PRO 560   0.037  -2.267  -5.454
  300   1HD   PRO 560          2HD       PRO 560  -0.363   0.048  -4.134
  301   2HD   PRO 560          1HD       PRO 560   0.914  -0.144  -5.351
  302    H    ARG 561           H        ARG 561  -3.129   0.689  -5.545
  303    HA   ARG 561           HA       ARG 561  -5.466   0.127  -6.994
  304   1HB   ARG 561          2HB       ARG 561  -6.526   1.679  -5.224
  305   2HB   ARG 561          1HB       ARG 561  -5.755   0.195  -4.684
  306   1HG   ARG 561          2HG       ARG 561  -4.062   1.290  -3.641
  307   2HG   ARG 561          1HG       ARG 561  -4.091   2.643  -4.774
  308   1HD   ARG 561          2HD       ARG 561  -5.143   3.784  -3.174
  309   2HD   ARG 561          1HD       ARG 561  -6.551   2.790  -3.540
  310    HE   ARG 561           HE       ARG 561  -5.196   1.280  -1.763
  311   1HH1  ARG 561          1HH1      ARG 561  -6.231   4.604  -1.755
  312   2HH1  ARG 561          2HH1      ARG 561  -6.411   4.680  -0.034
  313   1HH2  ARG 561          1HH2      ARG 561  -5.431   1.367   0.504
  314   2HH2  ARG 561          2HH2      ARG 561  -5.957   2.839   1.251
  315    H    ASN 562           H        ASN 562  -3.370   2.868  -7.015
  316    HA   ASN 562           HA       ASN 562  -5.193   4.205  -8.892
  317   1HB   ASN 562          2HB       ASN 562  -3.482   5.807  -7.011
  318   2HB   ASN 562          1HB       ASN 562  -4.901   6.317  -7.921
  319   1HD2  ASN 562          1HD2      ASN 562  -3.960   6.018  -4.951
  320   2HD2  ASN 562          2HD2      ASN 562  -5.385   5.427  -4.175
  321    H    GLY 563           H        GLY 563  -1.886   4.493  -7.570
  322   1HA   GLY 563          2HA       GLY 563  -0.025   3.881  -9.066
  323   2HA   GLY 563          1HA       GLY 563  -0.921   4.668 -10.357
  324    H    ARG 564           H        ARG 564  -0.856   6.103  -7.200
  325    HA   ARG 564           HA       ARG 564   1.230   7.989  -8.042
  326   1HB   ARG 564          2HB       ARG 564  -1.515   8.725  -7.016
  327   2HB   ARG 564          1HB       ARG 564  -0.176   9.858  -7.129
  328   1HG   ARG 564          2HG       ARG 564  -0.266   9.955  -9.413
  329   2HG   ARG 564          1HG       ARG 564  -0.965   8.341  -9.563
  330   1HD   ARG 564          2HD       ARG 564  -3.105   9.084  -9.058
  331   2HD   ARG 564          1HD       ARG 564  -2.518  10.545  -8.266
  332    HE   ARG 564           HE       ARG 564  -3.013  10.168 -11.083
  333   1HH1  ARG 564          1HH1      ARG 564  -1.344  12.046  -8.671
  334   2HH1  ARG 564          2HH1      ARG 564  -1.196  13.448  -9.678
  335   1HH2  ARG 564          1HH2      ARG 564  -2.823  12.009 -12.418
  336   2HH2  ARG 564          2HH2      ARG 564  -2.037  13.427 -11.807
  337    H    ALA 565           H        ALA 565   1.410   9.655  -6.004
  338    HA   ALA 565           HA       ALA 565   2.784   8.339  -4.030
  339   1HB   ALA 565          1HB       ALA 565   2.938  10.739  -4.370
  340   2HB   ALA 565          2HB       ALA 565   2.563  10.378  -2.684
  341   3HB   ALA 565          3HB       ALA 565   1.293  10.947  -3.768
  342    H    SER 566           H        SER 566   2.142   6.849  -2.629
  343    HA   SER 566           HA       SER 566  -0.608   6.506  -1.906
  344   1HB   SER 566          2HB       SER 566   0.491   4.467  -1.981
  345   2HB   SER 566          1HB       SER 566   1.960   5.115  -1.248
  346    HG   SER 566           HG       SER 566  -0.445   4.329  -0.020
  347   1H    THR 227          1HT       THR 227  16.553   7.260   0.126
  348   2H    THR 227          2HT       THR 227  16.577   8.902  -0.280
  349   3H    THR 227          3HT       THR 227  16.704   7.729  -1.493
  350    HA   THR 227           HA       THR 227  14.470   8.875  -1.185
  351    HB   THR 227           HB       THR 227  13.404   6.371  -1.210
  352    HG1  THR 227           1HG      THR 227  14.930   4.925  -1.386
  353   1HG2  THR 227          1HG2      THR 227  14.944   7.610  -3.491
  354   2HG2  THR 227          2HG2      THR 227  13.320   8.089  -2.995
  355   3HG2  THR 227          3HG2      THR 227  13.609   6.463  -3.616
  356    H    GLY 228           H        GLY 228  15.069   6.109   0.999
  357   1HA   GLY 228          2HA       GLY 228  14.582   6.127   3.320
  358   2HA   GLY 228          1HA       GLY 228  13.504   7.488   3.059
  359    H    LEU 229           H        LEU 229  13.401   4.666   1.013
  360    HA   LEU 229           HA       LEU 229  10.706   4.108   2.010
  361   1HB   LEU 229          2HB       LEU 229  10.807   4.469  -0.353
  362   2HB   LEU 229          1HB       LEU 229  12.135   3.342  -0.528
  363    HG   LEU 229           HG       LEU 229   9.805   2.590  -1.282
  364   1HD1  LEU 229          1HD1      LEU 229  10.865   0.611   0.643
  365   2HD1  LEU 229          2HD1      LEU 229  11.978   1.222  -0.582
  366   3HD1  LEU 229          3HD1      LEU 229  10.473   0.438  -1.068
  367   1HD2  LEU 229          1HD2      LEU 229   9.440   1.981   1.637
  368   2HD2  LEU 229          2HD2      LEU 229   8.275   1.816   0.324
  369   3HD2  LEU 229          3HD2      LEU 229   8.754   3.420   0.881
  370    HA   PRO 230           HA       PRO 230  12.732   0.614   4.074
  371   1HB   PRO 230          2HB       PRO 230  10.131   0.238   5.353
  372   2HB   PRO 230          1HB       PRO 230  11.690   0.619   6.086
  373   1HG   PRO 230          2HG       PRO 230   9.664   2.407   5.972
  374   2HG   PRO 230          1HG       PRO 230  11.369   2.887   5.915
  375   1HD   PRO 230          2HD       PRO 230   9.397   2.627   3.677
  376   2HD   PRO 230          1HD       PRO 230  10.634   3.872   3.951
  377    H    SER 231           H        SER 231  12.930  -1.023   2.649
  378    HA   SER 231           HA       SER 231  11.000  -2.056   0.963
  379   1HB   SER 231          2HB       SER 231  12.440  -4.039   0.765
  380   2HB   SER 231          1HB       SER 231  13.398  -2.558   0.744
  381    HG   SER 231           HG       SER 231  13.558  -4.629   2.426
  382    H    TYR 232           H        TYR 232  10.020  -4.230   1.008
  383    HA   TYR 232           HA       TYR 232   8.515  -4.562   3.432
  384   1HB   TYR 232          2HB       TYR 232   7.368  -4.808   1.331
  385   2HB   TYR 232          1HB       TYR 232   8.498  -6.047   0.802
  386    HD1  TYR 232           1HD      TYR 232   7.548  -6.324   4.260
  387    HD2  TYR 232           2HD      TYR 232   6.375  -7.314   0.294
  388    HE1  TYR 232           1HE      TYR 232   6.048  -8.061   5.146
  389    HE2  TYR 232           2HE      TYR 232   4.873  -9.056   1.167
  390    HH   TYR 232           HH       TYR 232   3.992  -9.269   4.408
  391    H    ASP 233           H        ASP 233  10.628  -5.009   4.588
  392    HA   ASP 233           HA       ASP 233  10.744  -7.805   5.182
  393   1HB   ASP 233          2HB       ASP 233  12.240  -7.619   3.170
  394   2HB   ASP 233          1HB       ASP 233  13.270  -6.536   4.101
  395    H    GLU 234           H        GLU 234  12.299  -4.645   5.498
  396    HA   GLU 234           HA       GLU 234  12.991  -5.256   8.278
  397   1HB   GLU 234          2HB       GLU 234  14.247  -3.065   8.130
  398   2HB   GLU 234          1HB       GLU 234  14.839  -4.355   7.092
  399   1HG   GLU 234          2HG       GLU 234  13.737  -3.369   5.180
  400   2HG   GLU 234          1HG       GLU 234  13.039  -2.114   6.202
  401    H    ALA 235           H        ALA 235  10.777  -3.442   6.352
  402    HA   ALA 235           HA       ALA 235  10.057  -1.540   8.375
  403   1HB   ALA 235          1HB       ALA 235   9.699  -1.645   5.683
  404   2HB   ALA 235          2HB       ALA 235   8.834  -0.558   6.770
  405   3HB   ALA 235          3HB       ALA 235   8.092  -2.076   6.266
  406    H    LEU 236           H        LEU 236   8.335  -4.307   6.920
  407    HA   LEU 236           HA       LEU 236   6.180  -4.311   8.700
  408   1HB   LEU 236          2HB       LEU 236   7.099  -5.897   6.544
  409   2HB   LEU 236          1HB       LEU 236   6.799  -6.988   7.882
  410    HG   LEU 236           HG       LEU 236   4.795  -6.921   6.638
  411   1HD1  LEU 236          1HD1      LEU 236   4.765  -6.451   9.219
  412   2HD1  LEU 236          2HD1      LEU 236   3.280  -6.395   8.270
  413   3HD1  LEU 236          3HD1      LEU 236   4.103  -4.898   8.708
  414   1HD2  LEU 236          1HD2      LEU 236   3.810  -4.368   6.567
  415   2HD2  LEU 236          2HD2      LEU 236   4.591  -5.201   5.222
  416   3HD2  LEU 236          3HD2      LEU 236   5.529  -4.120   6.254
  417    H    HIS 237           H        HIS 237   6.357  -4.430  10.841
  418    HA   HIS 237           HA       HIS 237   7.800  -6.686  11.997
  419   1HB   HIS 237          2HB       HIS 237   8.634  -3.895  12.219
  420   2HB   HIS 237          1HB       HIS 237   8.397  -4.662  13.786
  421    HD1  HIS 237           1HD      HIS 237  11.204  -3.878  13.071
  422    HD2  HIS 237           2HD      HIS 237   9.590  -7.576  12.081
  423    HE1  HIS 237           1HE      HIS 237  13.174  -5.406  12.751
  424    HE2  HIS 237           2HE      HIS 237  12.171  -7.659  12.235
  Start of MODEL   16
    1   1H    GLY 521          1HT       GLY 521 -24.005  12.703 -11.091
    2   2H    GLY 521          2HT       GLY 521 -22.584  13.040 -11.945
    3   3H    GLY 521          3HT       GLY 521 -24.018  12.721 -12.783
    4   1HA   GLY 521          1HA       GLY 521 -23.943  14.992 -12.932
    5   2HA   GLY 521          2HA       GLY 521 -24.939  14.746 -11.505
    6    HA   PRO 522           HA       PRO 522 -22.280  17.033  -8.854
    7   1HB   PRO 522          2HB       PRO 522 -21.608  14.618  -7.259
    8   2HB   PRO 522          1HB       PRO 522 -22.317  16.151  -6.738
    9   1HG   PRO 522          2HG       PRO 522 -23.812  13.954  -6.924
   10   2HG   PRO 522          1HG       PRO 522 -24.455  15.538  -7.396
   11   1HD   PRO 522          2HD       PRO 522 -23.478  13.298  -9.120
   12   2HD   PRO 522          1HD       PRO 522 -24.853  14.394  -9.366
   13    H    LEU 523           H        LEU 523 -20.968  13.922  -9.873
   14    HA   LEU 523           HA       LEU 523 -18.893  13.282 -10.550
   15   1HB   LEU 523          2HB       LEU 523 -19.280  15.763 -11.627
   16   2HB   LEU 523          1HB       LEU 523 -17.781  15.993 -10.749
   17    HG   LEU 523           HG       LEU 523 -17.797  13.552 -12.353
   18   1HD1  LEU 523          1HD1      LEU 523 -18.556  16.134 -13.574
   19   2HD1  LEU 523          2HD1      LEU 523 -18.911  14.484 -14.087
   20   3HD1  LEU 523          3HD1      LEU 523 -17.325  15.186 -14.410
   21   1HD2  LEU 523          1HD2      LEU 523 -15.671  14.799 -13.183
   22   2HD2  LEU 523          2HD2      LEU 523 -15.726  14.162 -11.539
   23   3HD2  LEU 523          3HD2      LEU 523 -16.000  15.880 -11.830
   24    H    GLY 524           H        GLY 524 -18.715  12.605  -8.247
   25   1HA   GLY 524          2HA       GLY 524 -16.677  14.191  -6.812
   26   2HA   GLY 524          1HA       GLY 524 -17.846  13.139  -6.027
   27    H    SER 525           H        SER 525 -14.742  13.332  -6.383
   28    HA   SER 525           HA       SER 525 -14.171  10.672  -7.404
   29   1HB   SER 525          2HB       SER 525 -11.956  12.071  -6.106
   30   2HB   SER 525          1HB       SER 525 -12.082  11.441  -7.748
   31    HG   SER 525           HG       SER 525 -11.887  13.720  -7.716
   32    H    GLY 526           H        GLY 526 -15.033   9.228  -5.948
   33   1HA   GLY 526          2HA       GLY 526 -13.592   9.037  -3.404
   34   2HA   GLY 526          1HA       GLY 526 -15.347   9.089  -3.348
   35    H    GLU 527           H        GLU 527 -12.556   7.177  -4.040
   36    HA   GLU 527           HA       GLU 527 -14.137   4.765  -3.906
   37   1HB   GLU 527          2HB       GLU 527 -12.891   5.715  -6.440
   38   2HB   GLU 527          1HB       GLU 527 -12.798   3.997  -6.077
   39   1HG   GLU 527          2HG       GLU 527 -15.315   4.100  -5.724
   40   2HG   GLU 527          1HG       GLU 527 -15.239   5.685  -6.492
   41    H    GLU 528           H        GLU 528 -12.769   4.826  -1.954
   42    HA   GLU 528           HA       GLU 528  -9.947   4.554  -2.136
   43   1HB   GLU 528          2HB       GLU 528 -11.878   4.806  -0.080
   44   2HB   GLU 528          1HB       GLU 528 -10.970   3.338   0.250
   45   1HG   GLU 528          2HG       GLU 528  -8.918   4.922  -0.252
   46   2HG   GLU 528          1HG       GLU 528 -10.074   6.163   0.228
   47    H    GLU 529           H        GLU 529  -8.770   2.837  -2.668
   48    HA   GLU 529           HA       GLU 529 -10.087   0.288  -3.103
   49   1HB   GLU 529          2HB       GLU 529  -8.311   1.450  -4.626
   50   2HB   GLU 529          1HB       GLU 529  -7.151   0.751  -3.504
   51   1HG   GLU 529          2HG       GLU 529  -7.491  -0.647  -5.480
   52   2HG   GLU 529          1HG       GLU 529  -7.959  -1.471  -3.994
   53    HA   PRO 530           HA       PRO 530  -8.584  -1.381   0.730
   54   1HB   PRO 530          2HB       PRO 530  -9.429  -3.891   0.444
   55   2HB   PRO 530          1HB       PRO 530 -10.577  -2.556   0.609
   56   1HG   PRO 530          2HG       PRO 530  -9.741  -4.053  -1.834
   57   2HG   PRO 530          1HG       PRO 530 -11.340  -3.429  -1.391
   58   1HD   PRO 530          2HD       PRO 530  -9.543  -2.197  -3.128
   59   2HD   PRO 530          1HD       PRO 530 -10.917  -1.405  -2.336
   60    H    LEU 531           H        LEU 531  -6.578  -1.197  -1.400
   61    HA   LEU 531           HA       LEU 531  -4.514  -2.011  -1.887
   62   1HB   LEU 531          2HB       LEU 531  -4.667  -4.067   0.257
   63   2HB   LEU 531          1HB       LEU 531  -3.333  -3.027  -0.199
   64    HG   LEU 531           HG       LEU 531  -5.766  -2.219   1.394
   65   1HD1  LEU 531          1HD1      LEU 531  -4.363  -2.085   3.257
   66   2HD1  LEU 531          2HD1      LEU 531  -2.902  -2.170   2.274
   67   3HD1  LEU 531          3HD1      LEU 531  -3.913  -3.601   2.476
   68   1HD2  LEU 531          1HD2      LEU 531  -4.845  -0.485  -0.213
   69   2HD2  LEU 531          2HD2      LEU 531  -3.376  -0.510   0.762
   70   3HD2  LEU 531          3HD2      LEU 531  -4.909  -0.028   1.489
   71    HA   PRO 532           HA       PRO 532  -5.655  -5.235  -4.743
   72   1HB   PRO 532          2HB       PRO 532  -2.691  -5.537  -4.867
   73   2HB   PRO 532          1HB       PRO 532  -3.865  -5.421  -6.180
   74   1HG   PRO 532          2HG       PRO 532  -2.375  -3.330  -5.539
   75   2HG   PRO 532          1HG       PRO 532  -4.086  -3.119  -5.953
   76   1HD   PRO 532          2HD       PRO 532  -2.762  -3.036  -3.279
   77   2HD   PRO 532          1HD       PRO 532  -4.142  -2.099  -3.885
   78    HA   PRO 533           HA       PRO 533  -5.234  -9.245  -3.027
   79   1HB   PRO 533          2HB       PRO 533  -3.650 -10.316  -5.253
   80   2HB   PRO 533          1HB       PRO 533  -5.268 -10.761  -4.705
   81   1HG   PRO 533          2HG       PRO 533  -4.895  -9.402  -6.977
   82   2HG   PRO 533          1HG       PRO 533  -6.282  -9.066  -5.922
   83   1HD   PRO 533          2HD       PRO 533  -3.702  -7.568  -6.201
   84   2HD   PRO 533          1HD       PRO 533  -5.359  -6.939  -6.064
   85    H    ARG 534           H        ARG 534  -2.264  -7.752  -3.802
   86    HA   ARG 534           HA       ARG 534  -0.955  -9.481  -1.831
   87   1HB   ARG 534          2HB       ARG 534   0.048  -8.961  -4.623
   88   2HB   ARG 534          1HB       ARG 534   1.101  -9.513  -3.328
   89   1HG   ARG 534          2HG       ARG 534  -1.394 -11.019  -3.988
   90   2HG   ARG 534          1HG       ARG 534   0.071 -11.239  -4.947
   91   1HD   ARG 534          2HD       ARG 534   1.305 -11.937  -3.015
   92   2HD   ARG 534          1HD       ARG 534  -0.039 -11.527  -1.950
   93    HE   ARG 534           HE       ARG 534  -1.094 -13.368  -3.647
   94   1HH1  ARG 534          1HH1      ARG 534   1.706 -13.294  -1.577
   95   2HH1  ARG 534          2HH1      ARG 534   1.693 -15.001  -1.281
   96   1HH2  ARG 534          1HH2      ARG 534  -1.122 -15.617  -3.262
   97   2HH2  ARG 534          2HH2      ARG 534   0.085 -16.321  -2.239
   98    H    TRP 535           H        TRP 535  -1.867  -6.888  -1.410
   99    HA   TRP 535           HA       TRP 535   0.701  -5.574  -0.941
  100   1HB   TRP 535          2HB       TRP 535  -1.686  -4.235  -2.197
  101   2HB   TRP 535          1HB       TRP 535  -0.247  -3.389  -1.634
  102    HD1  TRP 535           HD       TRP 535  -1.079  -6.247  -4.128
  103    HE1  TRP 535           1HE      TRP 535   0.483  -6.012  -6.153
  104    HE3  TRP 535           3HE      TRP 535   1.704  -2.278  -2.520
  105    HZ2  TRP 535           2HZ      TRP 535   2.634  -4.350  -6.955
  106    HZ3  TRP 535           3HZ      TRP 535   3.499  -1.429  -3.972
  107    HH2  TRP 535           HH       TRP 535   3.953  -2.447  -6.144
  108    H    SER 536           H        SER 536   0.461  -3.631   0.504
  109    HA   SER 536           HA       SER 536  -1.768  -3.788   2.369
  110   1HB   SER 536          2HB       SER 536   0.639  -5.118   2.905
  111   2HB   SER 536          1HB       SER 536   0.707  -3.646   3.864
  112    HG   SER 536           HG       SER 536  -1.009  -4.279   4.998
  113    H    MET 537           H        MET 537  -0.501  -2.226   4.384
  114    HA   MET 537           HA       MET 537   0.332   0.224   3.034
  115   1HB   MET 537          2HB       MET 537  -2.104  -0.056   4.781
  116   2HB   MET 537          1HB       MET 537  -1.332   1.496   4.485
  117   1HG   MET 537          2HG       MET 537  -1.630   0.831   1.978
  118   2HG   MET 537          1HG       MET 537  -2.860  -0.254   2.623
  119   1HE   MET 537          1HE       MET 537  -2.677   4.219   2.403
  120   2HE   MET 537          2HE       MET 537  -3.073   3.344   0.924
  121   3HE   MET 537          3HE       MET 537  -1.583   2.978   1.794
  122    H    GLN 538           H        GLN 538   1.676   1.500   4.258
  123    HA   GLN 538           HA       GLN 538   1.898   1.244   7.092
  124   1HB   GLN 538          2HB       GLN 538   3.036  -0.818   6.512
  125   2HB   GLN 538          1HB       GLN 538   4.072   0.033   5.375
  126   1HG   GLN 538          2HG       GLN 538   5.274   1.084   7.078
  127   2HG   GLN 538          1HG       GLN 538   4.040   0.734   8.288
  128   1HE2  GLN 538          1HE2      GLN 538   5.585  -0.205   9.645
  129   2HE2  GLN 538          2HE2      GLN 538   6.237  -1.773   9.333
  130    H    VAL 539           H        VAL 539   2.859   3.000   7.960
  131    HA   VAL 539           HA       VAL 539   3.708   5.092   6.145
  132    HB   VAL 539           HB       VAL 539   3.727   5.264   9.153
  133   1HG1  VAL 539          1HG1      VAL 539   3.773   7.537   8.885
  134   2HG1  VAL 539          2HG1      VAL 539   2.978   7.480   7.313
  135   3HG1  VAL 539          3HG1      VAL 539   4.678   7.034   7.457
  136   1HG2  VAL 539          1HG2      VAL 539   1.344   6.388   8.090
  137   2HG2  VAL 539          2HG2      VAL 539   1.518   5.074   9.254
  138   3HG2  VAL 539          3HG2      VAL 539   1.468   4.722   7.526
  139    H    ALA 540           H        ALA 540   5.752   5.588   5.679
  140    HA   ALA 540           HA       ALA 540   7.887   4.132   7.027
  141   1HB   ALA 540          1HB       ALA 540   8.090   3.975   4.708
  142   2HB   ALA 540          2HB       ALA 540   9.272   5.204   5.154
  143   3HB   ALA 540          3HB       ALA 540   7.720   5.681   4.466
  144    HA   PRO 541           HA       PRO 541   9.398   7.443   9.511
  145   1HB   PRO 541          2HB       PRO 541  12.116   7.183   9.065
  146   2HB   PRO 541          1HB       PRO 541  11.189   6.224  10.222
  147   1HG   PRO 541          2HG       PRO 541  12.056   5.532   7.447
  148   2HG   PRO 541          1HG       PRO 541  12.014   4.512   8.898
  149   1HD   PRO 541          2HD       PRO 541  10.133   4.318   6.998
  150   2HD   PRO 541          1HD       PRO 541   9.731   4.137   8.720
  151    H    ASN 542           H        ASN 542  10.270   7.177   6.161
  152    HA   ASN 542           HA       ASN 542  11.680   9.522   5.727
  153   1HB   ASN 542          2HB       ASN 542  11.431   7.861   3.987
  154   2HB   ASN 542          1HB       ASN 542   9.688   8.101   3.949
  155   1HD2  ASN 542          1HD2      ASN 542  10.276   8.367   1.634
  156   2HD2  ASN 542          2HD2      ASN 542  10.663   9.959   1.088
  157    H    GLY 543           H        GLY 543   8.276   9.015   6.294
  158   1HA   GLY 543          2HA       GLY 543   7.148  10.978   7.313
  159   2HA   GLY 543          1HA       GLY 543   7.855  11.927   6.015
  160    H    ARG 544           H        ARG 544   7.075   9.136   4.529
  161    HA   ARG 544           HA       ARG 544   4.286   9.920   4.047
  162   1HB   ARG 544          2HB       ARG 544   4.529   9.739   1.693
  163   2HB   ARG 544          1HB       ARG 544   5.848  10.757   2.254
  164   1HG   ARG 544          2HG       ARG 544   6.861   8.162   2.312
  165   2HG   ARG 544          1HG       ARG 544   5.935   8.268   0.814
  166   1HD   ARG 544          2HD       ARG 544   8.384   8.936   0.705
  167   2HD   ARG 544          1HD       ARG 544   7.216  10.068   0.022
  168    HE   ARG 544           HE       ARG 544   7.802  10.655   2.750
  169   1HH1  ARG 544          1HH1      ARG 544   8.997  10.985  -0.503
  170   2HH1  ARG 544          2HH1      ARG 544   9.924  12.406  -0.157
  171   1HH2  ARG 544          1HH2      ARG 544   9.017  12.527   3.218
  172   2HH2  ARG 544          2HH2      ARG 544   9.935  13.284   1.959
  173    H    THR 545           H        THR 545   2.937   8.251   3.161
  174    HA   THR 545           HA       THR 545   3.584   5.656   4.269
  175    HB   THR 545           HB       THR 545   1.211   5.256   3.022
  176    HG1  THR 545           1HG      THR 545   0.042   7.296   3.538
  177   1HG2  THR 545          1HG2      THR 545   1.097   4.702   5.214
  178   2HG2  THR 545          2HG2      THR 545   0.323   6.281   5.355
  179   3HG2  THR 545          3HG2      THR 545   2.038   6.103   5.727
  180    H    PHE 546           H        PHE 546   3.730   3.734   3.110
  181    HA   PHE 546           HA       PHE 546   4.055   4.063   0.206
  182   1HB   PHE 546          2HB       PHE 546   5.742   2.189   0.387
  183   2HB   PHE 546          1HB       PHE 546   6.239   3.735   1.063
  184    HD1  PHE 546           1HD      PHE 546   5.884   4.046   3.608
  185    HD2  PHE 546           2HD      PHE 546   5.909   0.266   1.648
  186    HE1  PHE 546           1HE      PHE 546   6.392   2.936   5.747
  187    HE2  PHE 546           2HE      PHE 546   6.414  -0.845   3.784
  188    HZ   PHE 546           HZ       PHE 546   6.656   0.491   5.838
  189    H    PHE 547           H        PHE 547   4.202   1.671  -0.764
  190    HA   PHE 547           HA       PHE 547   1.900   0.164   0.285
  191   1HB   PHE 547          2HB       PHE 547   2.261   1.380  -2.312
  192   2HB   PHE 547          1HB       PHE 547   2.040  -0.360  -2.464
  193    HD1  PHE 547           1HD      PHE 547   0.526   2.738  -1.137
  194    HD2  PHE 547           2HD      PHE 547  -0.067  -1.354  -2.141
  195    HE1  PHE 547           1HE      PHE 547  -1.903   3.025  -0.857
  196    HE2  PHE 547           2HE      PHE 547  -2.496  -1.075  -1.864
  197    HZ   PHE 547           HZ       PHE 547  -3.416   1.117  -1.221
  198    H    ILE 548           H        ILE 548   2.434  -1.759   0.911
  199    HA   ILE 548           HA       ILE 548   4.941  -2.932   0.144
  200    HB   ILE 548           HB       ILE 548   2.711  -3.937   1.908
  201   1HG1  ILE 548          2HG1      ILE 548   5.234  -3.465   3.205
  202   2HG1  ILE 548          1HG1      ILE 548   4.758  -2.030   2.298
  203   1HG2  ILE 548          1HG2      ILE 548   3.868  -5.851   1.006
  204   2HG2  ILE 548          2HG2      ILE 548   4.358  -5.626   2.685
  205   3HG2  ILE 548          3HG2      ILE 548   5.433  -5.128   1.379
  206   1HD1  ILE 548          1HD1      ILE 548   3.978  -1.952   4.603
  207   2HD1  ILE 548          2HD1      ILE 548   3.074  -3.446   4.353
  208   3HD1  ILE 548          3HD1      ILE 548   2.629  -1.986   3.468
  209    H    ASP 549           H        ASP 549   5.230  -4.828  -0.974
  210    HA   ASP 549           HA       ASP 549   2.926  -5.827  -2.507
  211   1HB   ASP 549          2HB       ASP 549   4.329  -4.406  -3.936
  212   2HB   ASP 549          1HB       ASP 549   5.737  -5.382  -3.534
  213    H    HIS 550           H        HIS 550   2.550  -7.872  -1.992
  214    HA   HIS 550           HA       HIS 550   4.591  -9.514  -0.789
  215   1HB   HIS 550          2HB       HIS 550   1.733 -10.161  -1.539
  216   2HB   HIS 550          1HB       HIS 550   2.794 -11.195  -0.588
  217    HD2  HIS 550           2HD      HIS 550   2.301  -7.340   0.005
  218    HE1  HIS 550           1HE      HIS 550   1.019  -9.502   3.409
  219    HE2  HIS 550           2HE      HIS 550   1.253  -7.200   2.373
  220    H    ALA 551           H        ALA 551   3.058  -9.194  -3.910
  221    HA   ALA 551           HA       ALA 551   3.577 -11.629  -5.087
  222   1HB   ALA 551          1HB       ALA 551   3.466 -10.533  -7.193
  223   2HB   ALA 551          2HB       ALA 551   3.957  -8.991  -6.489
  224   3HB   ALA 551          3HB       ALA 551   2.376  -9.671  -6.107
  225    H    SER 552           H        SER 552   5.785  -8.953  -4.501
  226    HA   SER 552           HA       SER 552   8.011 -10.695  -5.328
  227   1HB   SER 552          2HB       SER 552   7.306  -8.269  -6.497
  228   2HB   SER 552          1HB       SER 552   8.650  -7.862  -5.429
  229    HG   SER 552           HG       SER 552   9.662  -9.816  -6.464
  230    H    ARG 553           H        ARG 553   6.563  -9.190  -2.738
  231    HA   ARG 553           HA       ARG 553   7.198  -8.848  -0.587
  232   1HB   ARG 553          2HB       ARG 553   9.768 -10.193  -1.436
  233   2HB   ARG 553          1HB       ARG 553   9.272  -9.884   0.220
  234   1HG   ARG 553          2HG       ARG 553   7.735 -11.613  -1.704
  235   2HG   ARG 553          1HG       ARG 553   8.917 -12.222  -0.543
  236   1HD   ARG 553          2HD       ARG 553   7.405 -10.789   1.122
  237   2HD   ARG 553          1HD       ARG 553   6.188 -11.151  -0.102
  238    HE   ARG 553           HE       ARG 553   7.479 -13.535   0.510
  239   1HH1  ARG 553          1HH1      ARG 553   5.474 -11.176   2.103
  240   2HH1  ARG 553          2HH1      ARG 553   4.784 -12.317   3.210
  241   1HH2  ARG 553          1HH2      ARG 553   6.578 -15.047   1.963
  242   2HH2  ARG 553          2HH2      ARG 553   5.412 -14.517   3.131
  243    H    ARG 554           H        ARG 554   7.242  -6.602  -1.824
  244    HA   ARG 554           HA       ARG 554   9.613  -5.248  -0.824
  245   1HB   ARG 554          2HB       ARG 554   8.735  -4.709  -3.651
  246   2HB   ARG 554          1HB       ARG 554  10.209  -4.190  -2.848
  247   1HG   ARG 554          2HG       ARG 554  11.064  -6.439  -2.852
  248   2HG   ARG 554          1HG       ARG 554   9.544  -7.049  -3.511
  249   1HD   ARG 554          2HD       ARG 554  11.437  -5.140  -4.878
  250   2HD   ARG 554          1HD       ARG 554  11.242  -6.852  -5.251
  251    HE   ARG 554           HE       ARG 554   8.753  -5.552  -5.458
  252   1HH1  ARG 554          1HH1      ARG 554  11.828  -5.785  -7.073
  253   2HH1  ARG 554          2HH1      ARG 554  11.181  -5.426  -8.639
  254   1HH2  ARG 554          1HH2      ARG 554   7.888  -5.078  -7.518
  255   2HH2  ARG 554          2HH2      ARG 554   8.940  -5.024  -8.892
  256    H    THR 555           H        THR 555   9.180  -2.748  -1.891
  257    HA   THR 555           HA       THR 555   6.403  -2.046  -1.303
  258    HB   THR 555           HB       THR 555   7.128  -0.208   0.212
  259    HG1  THR 555           1HG      THR 555   9.222  -0.147   0.940
  260   1HG2  THR 555          1HG2      THR 555   6.772  -2.901   0.801
  261   2HG2  THR 555          2HG2      THR 555   6.705  -1.557   1.941
  262   3HG2  THR 555          3HG2      THR 555   8.213  -2.440   1.706
  263    H    THR 556           H        THR 556   6.266   0.519  -1.479
  264    HA   THR 556           HA       THR 556   8.049   1.826  -3.244
  265    HB   THR 556           HB       THR 556   7.317   0.592  -5.066
  266    HG1  THR 556           1HG      THR 556   6.476   2.160  -6.258
  267   1HG2  THR 556          1HG2      THR 556   4.845   0.343  -3.508
  268   2HG2  THR 556          2HG2      THR 556   5.608  -0.800  -4.613
  269   3HG2  THR 556          3HG2      THR 556   4.594   0.497  -5.247
  270    H    TRP 557           H        TRP 557   7.132   3.905  -4.060
  271    HA   TRP 557           HA       TRP 557   5.479   5.090  -1.974
  272   1HB   TRP 557          2HB       TRP 557   7.047   6.322  -4.242
  273   2HB   TRP 557          1HB       TRP 557   6.134   7.233  -3.048
  274    HD1  TRP 557           HD       TRP 557   9.528   6.576  -3.703
  275    HE1  TRP 557           1HE      TRP 557  10.969   6.496  -1.569
  276    HE3  TRP 557           3HE      TRP 557   5.816   5.986  -0.262
  277    HZ2  TRP 557           2HZ      TRP 557  10.574   6.219   1.216
  278    HZ3  TRP 557           3HZ      TRP 557   6.422   5.822   2.122
  279    HH2  TRP 557           HH       TRP 557   8.754   5.935   2.841
  280    H    ILE 558           H        ILE 558   4.460   3.382  -4.321
  281    HA   ILE 558           HA       ILE 558   2.400   5.309  -5.148
  282    HB   ILE 558           HB       ILE 558   3.539   3.224  -6.996
  283   1HG1  ILE 558          2HG1      ILE 558   5.162   5.068  -6.246
  284   2HG1  ILE 558          1HG1      ILE 558   4.931   4.857  -7.981
  285   1HG2  ILE 558          1HG2      ILE 558   1.840   5.646  -7.577
  286   2HG2  ILE 558          2HG2      ILE 558   1.220   4.004  -7.410
  287   3HG2  ILE 558          3HG2      ILE 558   2.337   4.395  -8.718
  288   1HD1  ILE 558          1HD1      ILE 558   4.714   7.209  -6.518
  289   2HD1  ILE 558          2HD1      ILE 558   3.054   6.766  -6.921
  290   3HD1  ILE 558          3HD1      ILE 558   4.252   6.953  -8.201
  291    H    ASP 559           H        ASP 559   0.343   4.566  -5.302
  292    HA   ASP 559           HA       ASP 559  -0.182   1.976  -4.092
  293   1HB   ASP 559          2HB       ASP 559  -2.164   4.116  -4.872
  294   2HB   ASP 559          1HB       ASP 559  -2.438   2.762  -3.779
  295    HA   PRO 560           HA       PRO 560  -0.593   0.276  -8.274
  296   1HB   PRO 560          2HB       PRO 560  -1.790  -2.067  -7.252
  297   2HB   PRO 560          1HB       PRO 560  -0.098  -1.850  -7.698
  298   1HG   PRO 560          2HG       PRO 560  -1.367  -1.805  -5.025
  299   2HG   PRO 560          1HG       PRO 560   0.289  -2.221  -5.490
  300   1HD   PRO 560          2HD       PRO 560  -0.352   0.092  -4.245
  301   2HD   PRO 560          1HD       PRO 560   1.012  -0.049  -5.372
  302    H    ARG 561           H        ARG 561  -3.010   0.578  -5.789
  303    HA   ARG 561           HA       ARG 561  -5.278  -0.148  -7.284
  304   1HB   ARG 561          2HB       ARG 561  -6.457   1.396  -5.583
  305   2HB   ARG 561          1HB       ARG 561  -5.635  -0.036  -4.983
  306   1HG   ARG 561          2HG       ARG 561  -4.056   1.157  -3.893
  307   2HG   ARG 561          1HG       ARG 561  -4.045   2.450  -5.094
  308   1HD   ARG 561          2HD       ARG 561  -5.186   3.649  -3.598
  309   2HD   ARG 561          1HD       ARG 561  -6.565   2.628  -4.002
  310    HE   ARG 561           HE       ARG 561  -5.306   1.207  -2.086
  311   1HH1  ARG 561          1HH1      ARG 561  -6.364   4.518  -2.282
  312   2HH1  ARG 561          2HH1      ARG 561  -6.635   4.670  -0.578
  313   1HH2  ARG 561          1HH2      ARG 561  -5.658   1.395   0.161
  314   2HH2  ARG 561          2HH2      ARG 561  -6.232   2.893   0.811
  315    H    ASN 562           H        ASN 562  -3.292   2.668  -7.341
  316    HA   ASN 562           HA       ASN 562  -5.067   3.849  -9.349
  317   1HB   ASN 562          2HB       ASN 562  -3.688   5.692  -7.438
  318   2HB   ASN 562          1HB       ASN 562  -5.142   5.958  -8.393
  319   1HD2  ASN 562          1HD2      ASN 562  -4.299   6.016  -5.418
  320   2HD2  ASN 562          2HD2      ASN 562  -5.618   5.227  -4.631
  321    H    GLY 563           H        GLY 563  -2.011   4.755  -7.743
  322   1HA   GLY 563          2HA       GLY 563   0.074   4.215  -9.018
  323   2HA   GLY 563          1HA       GLY 563  -0.773   4.836 -10.426
  324    H    ARG 564           H        ARG 564  -0.605   6.121  -7.120
  325    HA   ARG 564           HA       ARG 564   0.950   8.397  -8.101
  326   1HB   ARG 564          2HB       ARG 564  -1.702   8.620  -6.669
  327   2HB   ARG 564          1HB       ARG 564  -0.593   9.964  -6.902
  328   1HG   ARG 564          2HG       ARG 564  -1.226  10.271  -9.021
  329   2HG   ARG 564          1HG       ARG 564  -1.246   8.541  -9.367
  330   1HD   ARG 564          2HD       ARG 564  -3.404   8.450  -8.033
  331   2HD   ARG 564          1HD       ARG 564  -3.401  10.213  -8.098
  332    HE   ARG 564           HE       ARG 564  -3.093   9.257 -10.701
  333   1HH1  ARG 564          1HH1      ARG 564  -5.480   9.262  -8.165
  334   2HH1  ARG 564          2HH1      ARG 564  -6.826   9.203  -9.254
  335   1HH2  ARG 564          1HH2      ARG 564  -4.858   9.181 -12.145
  336   2HH2  ARG 564          2HH2      ARG 564  -6.473   9.157 -11.517
  337    H    ALA 565           H        ALA 565   1.579   9.861  -6.227
  338    HA   ALA 565           HA       ALA 565   2.984   8.342  -4.321
  339   1HB   ALA 565          1HB       ALA 565   2.517  11.150  -3.620
  340   2HB   ALA 565          2HB       ALA 565   3.156  10.892  -5.243
  341   3HB   ALA 565          3HB       ALA 565   4.028  10.268  -3.842
  342    H    SER 566           H        SER 566   2.222   7.345  -2.594
  343    HA   SER 566           HA       SER 566  -0.379   7.677  -1.584
  344   1HB   SER 566          2HB       SER 566   0.334   5.621  -0.938
  345   2HB   SER 566          1HB       SER 566   2.022   6.121  -0.867
  346    HG   SER 566           HG       SER 566   0.199   5.900   1.129
  347   1H    THR 227          1HT       THR 227  13.137   9.031  -2.059
  348   2H    THR 227          2HT       THR 227  14.355  10.134  -1.658
  349   3H    THR 227          3HT       THR 227  13.083   9.852  -0.580
  350    HA   THR 227           HA       THR 227  14.351   7.416  -1.224
  351    HB   THR 227           HB       THR 227  16.363   8.661  -1.638
  352    HG1  THR 227           1HG      THR 227  17.643   7.854   0.122
  353   1HG2  THR 227          1HG2      THR 227  17.288  10.112   0.252
  354   2HG2  THR 227          2HG2      THR 227  15.648  10.110   0.899
  355   3HG2  THR 227          3HG2      THR 227  15.963  10.783  -0.700
  356    H    GLY 228           H        GLY 228  14.490   6.124   0.630
  357   1HA   GLY 228          2HA       GLY 228  14.526   5.974   3.072
  358   2HA   GLY 228          1HA       GLY 228  13.462   7.371   3.102
  359    H    LEU 229           H        LEU 229  13.235   4.509   1.038
  360    HA   LEU 229           HA       LEU 229  10.541   4.048   2.104
  361   1HB   LEU 229          2HB       LEU 229  10.718   4.374  -0.311
  362   2HB   LEU 229          1HB       LEU 229  11.852   3.044  -0.422
  363    HG   LEU 229           HG       LEU 229   9.613   1.936   0.811
  364   1HD1  LEU 229          1HD1      LEU 229   7.774   2.496  -0.699
  365   2HD1  LEU 229          2HD1      LEU 229   8.779   3.728  -1.465
  366   3HD1  LEU 229          3HD1      LEU 229   8.303   3.903   0.225
  367   1HD2  LEU 229          1HD2      LEU 229  10.929   1.819  -1.841
  368   2HD2  LEU 229          2HD2      LEU 229   9.326   1.099  -1.699
  369   3HD2  LEU 229          3HD2      LEU 229  10.638   0.540  -0.661
  370    HA   PRO 230           HA       PRO 230  12.594   0.615   4.270
  371   1HB   PRO 230          2HB       PRO 230   9.906   0.301   5.444
  372   2HB   PRO 230          1HB       PRO 230  11.460   0.541   6.248
  373   1HG   PRO 230          2HG       PRO 230   9.613   2.484   6.159
  374   2HG   PRO 230          1HG       PRO 230  11.348   2.842   6.072
  375   1HD   PRO 230          2HD       PRO 230   9.322   2.740   3.870
  376   2HD   PRO 230          1HD       PRO 230  10.647   3.893   4.129
  377    H    SER 231           H        SER 231  12.777  -0.759   2.494
  378    HA   SER 231           HA       SER 231  10.841  -1.896   0.944
  379   1HB   SER 231          2HB       SER 231  12.413  -3.514   0.306
  380   2HB   SER 231          1HB       SER 231  13.413  -2.170   0.856
  381    HG   SER 231           HG       SER 231  13.915  -4.379   1.663
  382    H    TYR 232           H        TYR 232   9.780  -3.929   0.925
  383    HA   TYR 232           HA       TYR 232   8.479  -4.555   3.355
  384   1HB   TYR 232          2HB       TYR 232   7.362  -4.822   1.219
  385   2HB   TYR 232          1HB       TYR 232   8.545  -6.018   0.711
  386    HD1  TYR 232           1HD      TYR 232   6.375  -7.285   0.206
  387    HD2  TYR 232           2HD      TYR 232   7.681  -6.395   4.155
  388    HE1  TYR 232           1HE      TYR 232   4.932  -9.076   1.081
  389    HE2  TYR 232           2HE      TYR 232   6.243  -8.184   5.042
  390    HH   TYR 232           HH       TYR 232   3.790  -9.419   3.671
  391    H    ASP 233           H        ASP 233  10.471  -4.933   4.609
  392    HA   ASP 233           HA       ASP 233  10.822  -7.659   5.170
  393   1HB   ASP 233          2HB       ASP 233  12.158  -7.396   2.992
  394   2HB   ASP 233          1HB       ASP 233  13.301  -6.456   3.946
  395    H    GLU 234           H        GLU 234  12.228  -4.431   5.276
  396    HA   GLU 234           HA       GLU 234  13.043  -4.927   8.062
  397   1HB   GLU 234          2HB       GLU 234  14.483  -2.809   7.615
  398   2HB   GLU 234          1HB       GLU 234  15.018  -4.358   6.981
  399   1HG   GLU 234          2HG       GLU 234  14.438  -3.806   4.798
  400   2HG   GLU 234          1HG       GLU 234  13.371  -2.500   5.312
  401    H    ALA 235           H        ALA 235  10.395  -4.057   6.908
  402    HA   ALA 235           HA       ALA 235  10.149  -1.522   8.391
  403   1HB   ALA 235          1HB       ALA 235   9.718  -1.696   5.777
  404   2HB   ALA 235          2HB       ALA 235   8.761  -0.643   6.819
  405   3HB   ALA 235          3HB       ALA 235   8.127  -2.216   6.334
  406    H    LEU 236           H        LEU 236   8.674  -4.628   7.625
  407    HA   LEU 236           HA       LEU 236   6.311  -4.363   9.096
  408   1HB   LEU 236          2HB       LEU 236   7.154  -6.236   7.474
  409   2HB   LEU 236          1HB       LEU 236   7.759  -6.975   8.945
  410    HG   LEU 236           HG       LEU 236   4.878  -6.163   8.644
  411   1HD1  LEU 236          1HD1      LEU 236   4.920  -7.679   6.941
  412   2HD1  LEU 236          2HD1      LEU 236   4.695  -8.772   8.307
  413   3HD1  LEU 236          3HD1      LEU 236   6.298  -8.557   7.606
  414   1HD2  LEU 236          1HD2      LEU 236   6.501  -7.339  10.716
  415   2HD2  LEU 236          2HD2      LEU 236   5.172  -8.410  10.267
  416   3HD2  LEU 236          3HD2      LEU 236   4.839  -6.757  10.785
  417    H    HIS 237           H        HIS 237   6.047  -3.995  11.186
  418    HA   HIS 237           HA       HIS 237   8.032  -5.089  13.070
  419   1HB   HIS 237          2HB       HIS 237   6.575  -2.459  13.062
  420   2HB   HIS 237          1HB       HIS 237   7.205  -3.137  14.560
  421    HD1  HIS 237           1HD      HIS 237   8.426  -0.565  13.888
  422    HD2  HIS 237           2HD      HIS 237   9.854  -4.110  12.255
  423    HE1  HIS 237           1HE      HIS 237  10.790  -0.077  13.184
  424    HE2  HIS 237           2HE      HIS 237  11.604  -2.210  12.120
  Start of MODEL   17
    1   1H    GLY 521          1HT       GLY 521  -4.923   3.938   7.045
    2   2H    GLY 521          2HT       GLY 521  -6.588   4.116   6.812
    3   3H    GLY 521          3HT       GLY 521  -5.882   4.610   8.266
    4   1HA   GLY 521          2HA       GLY 521  -6.403   6.209   6.129
    5   2HA   GLY 521          1HA       GLY 521  -4.688   5.858   5.976
    6    HA   PRO 522           HA       PRO 522  -3.703   8.764   9.135
    7   1HB   PRO 522          2HB       PRO 522  -3.500  11.088   7.766
    8   2HB   PRO 522          1HB       PRO 522  -2.320   9.783   7.600
    9   1HG   PRO 522          2HG       PRO 522  -4.623  10.489   5.822
   10   2HG   PRO 522          1HG       PRO 522  -2.966  10.040   5.379
   11   1HD   PRO 522          2HD       PRO 522  -5.035   8.288   5.286
   12   2HD   PRO 522          1HD       PRO 522  -3.371   7.789   5.649
   13    H    LEU 523           H        LEU 523  -5.871   8.471  10.116
   14    HA   LEU 523           HA       LEU 523  -7.856   9.227  10.947
   15   1HB   LEU 523          2HB       LEU 523  -5.969  11.454  10.922
   16   2HB   LEU 523          1HB       LEU 523  -7.643  11.980  10.937
   17    HG   LEU 523           HG       LEU 523  -7.715  10.113  12.893
   18   1HD1  LEU 523          1HD1      LEU 523  -5.127  11.443  13.499
   19   2HD1  LEU 523          2HD1      LEU 523  -5.119  10.016  12.463
   20   3HD1  LEU 523          3HD1      LEU 523  -5.783   9.918  14.094
   21   1HD2  LEU 523          1HD2      LEU 523  -8.617  12.038  13.615
   22   2HD2  LEU 523          2HD2      LEU 523  -7.435  13.031  12.762
   23   3HD2  LEU 523          3HD2      LEU 523  -7.024  12.315  14.319
   24    H    GLY 524           H        GLY 524  -8.915   8.499   8.945
   25   1HA   GLY 524          2HA       GLY 524 -10.563  10.589   7.878
   26   2HA   GLY 524          1HA       GLY 524  -9.431   9.964   6.689
   27    H    SER 525           H        SER 525 -12.504   9.782   7.449
   28    HA   SER 525           HA       SER 525 -12.721   6.880   6.997
   29   1HB   SER 525          2HB       SER 525 -15.089   7.176   7.836
   30   2HB   SER 525          1HB       SER 525 -13.830   7.456   9.038
   31    HG   SER 525           HG       SER 525 -15.432   9.092   9.069
   32    H    GLY 526           H        GLY 526 -12.286   7.338   4.715
   33   1HA   GLY 526          2HA       GLY 526 -14.310   7.036   3.003
   34   2HA   GLY 526          1HA       GLY 526 -14.351   8.774   3.254
   35    H    GLU 527           H        GLU 527 -13.911   7.626   0.750
   36    HA   GLU 527           HA       GLU 527 -12.499   7.643  -1.039
   37   1HB   GLU 527          2HB       GLU 527 -11.296   9.886   0.591
   38   2HB   GLU 527          1HB       GLU 527 -10.888   9.556  -1.088
   39   1HG   GLU 527          2HG       GLU 527 -13.620  10.284  -0.055
   40   2HG   GLU 527          1HG       GLU 527 -12.505  11.369  -0.882
   41    H    GLU 528           H        GLU 528 -11.575   5.602  -0.758
   42    HA   GLU 528           HA       GLU 528  -8.795   5.482  -0.622
   43   1HB   GLU 528          2HB       GLU 528  -8.965   5.922   1.738
   44   2HB   GLU 528          1HB       GLU 528 -10.201   4.687   1.931
   45   1HG   GLU 528          2HG       GLU 528  -8.683   3.102   2.230
   46   2HG   GLU 528          1HG       GLU 528  -7.803   3.580   0.779
   47    H    GLU 529           H        GLU 529  -8.800   4.049  -2.272
   48    HA   GLU 529           HA       GLU 529 -10.609   1.850  -2.421
   49   1HB   GLU 529          2HB       GLU 529  -9.744   2.847  -4.455
   50   2HB   GLU 529          1HB       GLU 529  -8.096   2.458  -3.981
   51   1HG   GLU 529          2HG       GLU 529  -8.461   0.738  -5.398
   52   2HG   GLU 529          1HG       GLU 529  -9.093   0.003  -3.925
   53    HA   PRO 530           HA       PRO 530  -8.606  -1.111   0.171
   54   1HB   PRO 530          2HB       PRO 530  -9.409  -3.081  -1.910
   55   2HB   PRO 530          1HB       PRO 530  -9.733  -3.082  -0.173
   56   1HG   PRO 530          2HG       PRO 530 -11.657  -2.469  -1.903
   57   2HG   PRO 530          1HG       PRO 530 -11.505  -1.595  -0.368
   58   1HD   PRO 530          2HD       PRO 530 -10.715  -0.741  -3.124
   59   2HD   PRO 530          1HD       PRO 530 -11.438   0.212  -1.811
   60    H    LEU 531           H        LEU 531  -6.958  -2.848   0.067
   61    HA   LEU 531           HA       LEU 531  -4.866  -2.115  -1.812
   62   1HB   LEU 531          2HB       LEU 531  -4.533  -4.279   0.215
   63   2HB   LEU 531          1HB       LEU 531  -3.370  -3.093  -0.346
   64    HG   LEU 531           HG       LEU 531  -5.702  -2.459   1.465
   65   1HD1  LEU 531          1HD1      LEU 531  -2.885  -2.416   2.395
   66   2HD1  LEU 531          2HD1      LEU 531  -3.703  -3.973   2.276
   67   3HD1  LEU 531          3HD1      LEU 531  -4.373  -2.700   3.296
   68   1HD2  LEU 531          1HD2      LEU 531  -4.656  -0.328   1.763
   69   2HD2  LEU 531          2HD2      LEU 531  -4.849  -0.609   0.034
   70   3HD2  LEU 531          3HD2      LEU 531  -3.269  -0.817   0.790
   71    HA   PRO 532           HA       PRO 532  -5.671  -5.284  -4.772
   72   1HB   PRO 532          2HB       PRO 532  -2.705  -5.548  -4.816
   73   2HB   PRO 532          1HB       PRO 532  -3.836  -5.360  -6.156
   74   1HG   PRO 532          2HG       PRO 532  -2.367  -3.309  -5.331
   75   2HG   PRO 532          1HG       PRO 532  -4.052  -3.077  -5.830
   76   1HD   PRO 532          2HD       PRO 532  -2.874  -3.105  -3.089
   77   2HD   PRO 532          1HD       PRO 532  -4.239  -2.164  -3.724
   78    HA   PRO 533           HA       PRO 533  -5.249  -9.314  -3.117
   79   1HB   PRO 533          2HB       PRO 533  -3.769 -10.385  -5.407
   80   2HB   PRO 533          1HB       PRO 533  -5.395 -10.761  -4.835
   81   1HG   PRO 533          2HG       PRO 533  -4.989  -9.372  -7.091
   82   2HG   PRO 533          1HG       PRO 533  -6.354  -9.013  -6.015
   83   1HD   PRO 533          2HD       PRO 533  -3.719  -7.604  -6.269
   84   2HD   PRO 533          1HD       PRO 533  -5.353  -6.917  -6.123
   85    H    ARG 534           H        ARG 534  -2.358  -7.704  -3.654
   86    HA   ARG 534           HA       ARG 534  -1.004  -9.586  -1.893
   87   1HB   ARG 534          2HB       ARG 534   0.038  -8.911  -4.644
   88   2HB   ARG 534          1HB       ARG 534   1.014  -9.650  -3.384
   89   1HG   ARG 534          2HG       ARG 534  -1.531 -10.875  -4.408
   90   2HG   ARG 534          1HG       ARG 534   0.055 -11.216  -5.100
   91   1HD   ARG 534          2HD       ARG 534   0.802 -12.286  -3.177
   92   2HD   ARG 534          1HD       ARG 534  -0.419 -11.522  -2.159
   93    HE   ARG 534           HE       ARG 534  -1.914 -13.019  -3.812
   94   1HH1  ARG 534          1HH1      ARG 534   0.908 -13.759  -1.908
   95   2HH1  ARG 534          2HH1      ARG 534   0.472 -15.417  -1.670
   96   1HH2  ARG 534          1HH2      ARG 534  -2.497 -15.202  -3.504
   97   2HH2  ARG 534          2HH2      ARG 534  -1.464 -16.239  -2.577
   98    H    TRP 535           H        TRP 535  -1.906  -6.961  -1.424
   99    HA   TRP 535           HA       TRP 535   0.696  -5.713  -0.894
  100   1HB   TRP 535          2HB       TRP 535  -1.668  -4.252  -2.064
  101   2HB   TRP 535          1HB       TRP 535  -0.179  -3.493  -1.504
  102    HD1  TRP 535           HD       TRP 535  -1.130  -6.269  -4.044
  103    HE1  TRP 535           1HE      TRP 535   0.373  -5.999  -6.109
  104    HE3  TRP 535           3HE      TRP 535   1.721  -2.365  -2.424
  105    HZ2  TRP 535           2HZ      TRP 535   2.513  -4.326  -6.932
  106    HZ3  TRP 535           3HZ      TRP 535   3.482  -1.488  -3.902
  107    HH2  TRP 535           HH       TRP 535   3.871  -2.454  -6.111
  108    H    SER 536           H        SER 536   0.493  -3.803   0.585
  109    HA   SER 536           HA       SER 536  -1.695  -4.017   2.506
  110   1HB   SER 536          2HB       SER 536   0.784  -5.255   2.940
  111   2HB   SER 536          1HB       SER 536   0.819  -3.795   3.917
  112    HG   SER 536           HG       SER 536  -0.105  -5.584   5.027
  113    H    MET 537           H        MET 537  -0.383  -2.410   4.479
  114    HA   MET 537           HA       MET 537   0.296   0.067   3.091
  115   1HB   MET 537          2HB       MET 537  -2.026  -0.297   4.967
  116   2HB   MET 537          1HB       MET 537  -1.310   1.280   4.660
  117   1HG   MET 537          2HG       MET 537  -1.727   0.668   2.165
  118   2HG   MET 537          1HG       MET 537  -2.879  -0.481   2.839
  119   1HE   MET 537          1HE       MET 537  -2.394   3.167   1.660
  120   2HE   MET 537          2HE       MET 537  -1.657   3.178   3.262
  121   3HE   MET 537          3HE       MET 537  -3.132   4.098   2.963
  122    H    GLN 538           H        GLN 538   1.554   1.485   4.311
  123    HA   GLN 538           HA       GLN 538   1.993   1.167   7.099
  124   1HB   GLN 538          2HB       GLN 538   3.185  -0.837   6.263
  125   2HB   GLN 538          1HB       GLN 538   4.216   0.203   5.288
  126   1HG   GLN 538          2HG       GLN 538   5.518  -0.209   7.144
  127   2HG   GLN 538          1HG       GLN 538   4.783   1.346   7.534
  128   1HE2  GLN 538          1HE2      GLN 538   5.298  -1.820   8.539
  129   2HE2  GLN 538          2HE2      GLN 538   4.233  -1.833   9.899
  130    H    VAL 539           H        VAL 539   2.837   2.984   7.934
  131    HA   VAL 539           HA       VAL 539   3.560   5.121   6.108
  132    HB   VAL 539           HB       VAL 539   3.520   5.268   9.119
  133   1HG1  VAL 539          1HG1      VAL 539   2.721   7.548   7.434
  134   2HG1  VAL 539          2HG1      VAL 539   4.419   7.081   7.336
  135   3HG1  VAL 539          3HG1      VAL 539   3.709   7.504   8.894
  136   1HG2  VAL 539          1HG2      VAL 539   1.316   5.006   9.125
  137   2HG2  VAL 539          2HG2      VAL 539   1.321   4.757   7.379
  138   3HG2  VAL 539          3HG2      VAL 539   1.158   6.385   8.039
  139    H    ALA 540           H        ALA 540   5.586   5.667   5.607
  140    HA   ALA 540           HA       ALA 540   7.772   4.380   7.060
  141   1HB   ALA 540          1HB       ALA 540   8.954   5.658   4.963
  142   2HB   ALA 540          2HB       ALA 540   7.353   5.301   4.314
  143   3HB   ALA 540          3HB       ALA 540   8.363   3.996   4.934
  144    HA   PRO 541           HA       PRO 541   9.135   7.955   9.250
  145   1HB   PRO 541          2HB       PRO 541  11.880   7.245   8.368
  146   2HB   PRO 541          1HB       PRO 541  11.244   7.461  10.001
  147   1HG   PRO 541          2HG       PRO 541  11.782   5.027   9.045
  148   2HG   PRO 541          1HG       PRO 541  10.380   5.316  10.092
  149   1HD   PRO 541          2HD       PRO 541  10.488   4.925   7.131
  150   2HD   PRO 541          1HD       PRO 541   9.276   4.364   8.302
  151    H    ASN 542           H        ASN 542  10.122   7.365   5.965
  152    HA   ASN 542           HA       ASN 542  11.500   9.624   5.258
  153   1HB   ASN 542          2HB       ASN 542  10.795   7.611   3.822
  154   2HB   ASN 542          1HB       ASN 542   9.310   8.505   3.515
  155   1HD2  ASN 542          1HD2      ASN 542   9.777   8.629   1.326
  156   2HD2  ASN 542          2HD2      ASN 542  10.983   9.696   0.704
  157    H    GLY 543           H        GLY 543   7.982   9.241   5.505
  158   1HA   GLY 543          2HA       GLY 543   7.059  11.420   6.557
  159   2HA   GLY 543          1HA       GLY 543   7.669  12.132   5.071
  160    H    ARG 544           H        ARG 544   6.854   9.395   3.807
  161    HA   ARG 544           HA       ARG 544   3.977   9.963   3.644
  162   1HB   ARG 544          2HB       ARG 544   3.973   9.691   1.278
  163   2HB   ARG 544          1HB       ARG 544   5.243  10.843   1.664
  164   1HG   ARG 544          2HG       ARG 544   6.192   8.089   1.573
  165   2HG   ARG 544          1HG       ARG 544   5.501   8.647   0.050
  166   1HD   ARG 544          2HD       ARG 544   7.559  10.199   1.603
  167   2HD   ARG 544          1HD       ARG 544   7.968   9.041   0.338
  168    HE   ARG 544           HE       ARG 544   6.138  10.795  -0.767
  169   1HH1  ARG 544          1HH1      ARG 544   9.325  10.961   0.626
  170   2HH1  ARG 544          2HH1      ARG 544   9.814  12.318  -0.331
  171   1HH2  ARG 544          1HH2      ARG 544   6.771  12.583  -2.033
  172   2HH2  ARG 544          2HH2      ARG 544   8.361  13.242  -1.842
  173    H    THR 545           H        THR 545   2.634   8.210   3.039
  174    HA   THR 545           HA       THR 545   3.480   5.729   4.194
  175    HB   THR 545           HB       THR 545   1.172   5.009   3.102
  176    HG1  THR 545           1HG      THR 545  -0.204   6.848   2.945
  177   1HG2  THR 545          1HG2      THR 545   1.637   6.732   5.522
  178   2HG2  THR 545          2HG2      THR 545   1.363   4.991   5.442
  179   3HG2  THR 545          3HG2      THR 545   0.035   6.107   5.128
  180    H    PHE 546           H        PHE 546   3.816   3.776   3.175
  181    HA   PHE 546           HA       PHE 546   4.109   3.922   0.252
  182   1HB   PHE 546          2HB       PHE 546   5.948   2.255   0.520
  183   2HB   PHE 546          1HB       PHE 546   6.300   3.832   1.211
  184    HD1  PHE 546           1HD      PHE 546   5.922   4.120   3.732
  185    HD2  PHE 546           2HD      PHE 546   6.161   0.336   1.790
  186    HE1  PHE 546           1HE      PHE 546   6.461   3.041   5.883
  187    HE2  PHE 546           2HE      PHE 546   6.695  -0.741   3.935
  188    HZ   PHE 546           HZ       PHE 546   6.846   0.613   5.985
  189    H    PHE 547           H        PHE 547   3.983   1.815  -0.845
  190    HA   PHE 547           HA       PHE 547   1.947   0.120   0.438
  191   1HB   PHE 547          2HB       PHE 547   2.154   1.285  -2.194
  192   2HB   PHE 547          1HB       PHE 547   1.998  -0.463  -2.305
  193    HD1  PHE 547           1HD      PHE 547   0.427   2.595  -0.962
  194    HD2  PHE 547           2HD      PHE 547  -0.058  -1.532  -1.874
  195    HE1  PHE 547           1HE      PHE 547  -1.993   2.798  -0.568
  196    HE2  PHE 547           2HE      PHE 547  -2.481  -1.338  -1.481
  197    HZ   PHE 547           HZ       PHE 547  -3.450   0.830  -0.827
  198    H    ILE 548           H        ILE 548   2.384  -1.884   0.889
  199    HA   ILE 548           HA       ILE 548   4.964  -2.969   0.151
  200    HB   ILE 548           HB       ILE 548   2.788  -4.030   1.952
  201   1HG1  ILE 548          2HG1      ILE 548   5.208  -3.522   3.320
  202   2HG1  ILE 548          1HG1      ILE 548   4.911  -2.125   2.287
  203   1HG2  ILE 548          1HG2      ILE 548   3.772  -6.021   1.633
  204   2HG2  ILE 548          2HG2      ILE 548   5.074  -5.370   2.630
  205   3HG2  ILE 548          3HG2      ILE 548   5.192  -5.301   0.871
  206   1HD1  ILE 548          1HD1      ILE 548   2.850  -1.676   3.322
  207   2HD1  ILE 548          2HD1      ILE 548   3.981  -2.027   4.631
  208   3HD1  ILE 548          3HD1      ILE 548   2.817  -3.249   4.118
  209    H    ASP 549           H        ASP 549   5.284  -4.792  -1.049
  210    HA   ASP 549           HA       ASP 549   2.960  -5.841  -2.521
  211   1HB   ASP 549          2HB       ASP 549   4.294  -4.402  -3.973
  212   2HB   ASP 549          1HB       ASP 549   5.747  -5.310  -3.575
  213    H    HIS 550           H        HIS 550   2.612  -7.887  -1.974
  214    HA   HIS 550           HA       HIS 550   4.685  -9.526  -0.840
  215   1HB   HIS 550          2HB       HIS 550   1.845 -10.233  -1.606
  216   2HB   HIS 550          1HB       HIS 550   2.927 -11.235  -0.644
  217    HD2  HIS 550           2HD      HIS 550   2.285  -7.397  -0.060
  218    HE1  HIS 550           1HE      HIS 550   1.068  -9.608   3.337
  219    HE2  HIS 550           2HE      HIS 550   1.219  -7.298   2.302
  220    H    ALA 551           H        ALA 551   3.041  -9.264  -3.926
  221    HA   ALA 551           HA       ALA 551   3.674 -11.650  -5.135
  222   1HB   ALA 551          1HB       ALA 551   3.981  -9.103  -6.670
  223   2HB   ALA 551          2HB       ALA 551   2.404  -9.571  -6.036
  224   3HB   ALA 551          3HB       ALA 551   3.250 -10.629  -7.165
  225    H    SER 552           H        SER 552   5.748  -8.872  -4.563
  226    HA   SER 552           HA       SER 552   8.038 -10.460  -5.516
  227   1HB   SER 552          2HB       SER 552   7.159  -8.065  -6.599
  228   2HB   SER 552          1HB       SER 552   8.481  -7.578  -5.539
  229    HG   SER 552           HG       SER 552   9.424  -8.090  -7.450
  230    H    ARG 553           H        ARG 553   6.597  -9.168  -2.821
  231    HA   ARG 553           HA       ARG 553   7.286  -8.799  -0.689
  232   1HB   ARG 553          2HB       ARG 553   9.722 -10.243  -1.728
  233   2HB   ARG 553          1HB       ARG 553   9.527  -9.771  -0.045
  234   1HG   ARG 553          2HG       ARG 553   7.671 -11.594  -1.562
  235   2HG   ARG 553          1HG       ARG 553   8.935 -12.119  -0.448
  236   1HD   ARG 553          2HD       ARG 553   7.808 -10.760   1.328
  237   2HD   ARG 553          1HD       ARG 553   6.485 -10.488   0.197
  238    HE   ARG 553           HE       ARG 553   5.776 -12.648   0.543
  239   1HH1  ARG 553          1HH1      ARG 553   8.952 -12.225   1.906
  240   2HH1  ARG 553          2HH1      ARG 553   8.936 -13.739   2.747
  241   1HH2  ARG 553          1HH2      ARG 553   5.743 -14.646   1.644
  242   2HH2  ARG 553          2HH2      ARG 553   7.112 -15.116   2.597
  243    H    ARG 554           H        ARG 554   7.314  -6.531  -1.925
  244    HA   ARG 554           HA       ARG 554   9.700  -5.199  -0.933
  245   1HB   ARG 554          2HB       ARG 554   8.787  -4.833  -3.789
  246   2HB   ARG 554          1HB       ARG 554  10.114  -3.997  -3.001
  247   1HG   ARG 554          2HG       ARG 554  11.301  -6.125  -2.749
  248   2HG   ARG 554          1HG       ARG 554   9.976  -6.947  -3.576
  249   1HD   ARG 554          2HD       ARG 554  11.498  -6.612  -5.287
  250   2HD   ARG 554          1HD       ARG 554  10.417  -5.230  -5.464
  251    HE   ARG 554           HE       ARG 554  12.369  -4.274  -3.858
  252   1HH1  ARG 554          1HH1      ARG 554  12.403  -5.949  -6.910
  253   2HH1  ARG 554          2HH1      ARG 554  13.852  -5.180  -7.465
  254   1HH2  ARG 554          1HH2      ARG 554  14.282  -3.256  -4.576
  255   2HH2  ARG 554          2HH2      ARG 554  14.921  -3.650  -6.137
  256    H    THR 555           H        THR 555   9.323  -2.681  -1.822
  257    HA   THR 555           HA       THR 555   6.540  -1.961  -1.277
  258    HB   THR 555           HB       THR 555   7.289  -0.184   0.309
  259    HG1  THR 555           1HG      THR 555   9.373  -0.281   1.124
  260   1HG2  THR 555          1HG2      THR 555   6.856  -2.903   0.785
  261   2HG2  THR 555          2HG2      THR 555   6.741  -1.588   1.954
  262   3HG2  THR 555          3HG2      THR 555   8.253  -2.477   1.774
  263    H    THR 556           H        THR 556   6.346   0.548  -1.436
  264    HA   THR 556           HA       THR 556   8.199   1.938  -3.083
  265    HB   THR 556           HB       THR 556   7.301   0.475  -4.826
  266    HG1  THR 556           1HG      THR 556   6.157   3.034  -5.233
  267   1HG2  THR 556          1HG2      THR 556   4.749   1.255  -3.599
  268   2HG2  THR 556          2HG2      THR 556   5.175  -0.200  -4.500
  269   3HG2  THR 556          3HG2      THR 556   4.758   1.281  -5.362
  270    H    TRP 557           H        TRP 557   7.246   4.037  -3.886
  271    HA   TRP 557           HA       TRP 557   5.593   5.153  -1.763
  272   1HB   TRP 557          2HB       TRP 557   7.097   6.482  -4.025
  273   2HB   TRP 557          1HB       TRP 557   6.205   7.332  -2.768
  274    HD1  TRP 557           HD       TRP 557   9.593   6.721  -3.551
  275    HE1  TRP 557           1HE      TRP 557  11.095   6.604  -1.462
  276    HE3  TRP 557           3HE      TRP 557   5.984   6.031  -0.022
  277    HZ2  TRP 557           2HZ      TRP 557  10.779   6.261   1.328
  278    HZ3  TRP 557           3HZ      TRP 557   6.660   5.819   2.340
  279    HH2  TRP 557           HH       TRP 557   9.007   5.930   2.998
  280    H    ILE 558           H        ILE 558   4.568   3.464  -4.109
  281    HA   ILE 558           HA       ILE 558   2.466   5.366  -4.887
  282    HB   ILE 558           HB       ILE 558   3.632   3.326  -6.770
  283   1HG1  ILE 558          2HG1      ILE 558   5.178   5.248  -6.019
  284   2HG1  ILE 558          1HG1      ILE 558   4.964   4.999  -7.752
  285   1HG2  ILE 558          1HG2      ILE 558   1.588   5.507  -7.047
  286   2HG2  ILE 558          2HG2      ILE 558   1.437   3.795  -7.440
  287   3HG2  ILE 558          3HG2      ILE 558   2.439   4.844  -8.442
  288   1HD1  ILE 558          1HD1      ILE 558   3.173   6.931  -6.379
  289   2HD1  ILE 558          2HD1      ILE 558   3.817   6.951  -8.021
  290   3HD1  ILE 558          3HD1      ILE 558   4.852   7.391  -6.662
  291    H    ASP 559           H        ASP 559   0.422   4.612  -4.924
  292    HA   ASP 559           HA       ASP 559  -0.020   1.968  -3.789
  293   1HB   ASP 559          2HB       ASP 559  -2.023   4.167  -4.316
  294   2HB   ASP 559          1HB       ASP 559  -2.264   2.741  -3.313
  295    HA   PRO 560           HA       PRO 560  -0.822   0.411  -7.960
  296   1HB   PRO 560          2HB       PRO 560  -2.017  -1.927  -6.962
  297   2HB   PRO 560          1HB       PRO 560  -0.333  -1.740  -7.453
  298   1HG   PRO 560          2HG       PRO 560  -1.525  -1.711  -4.736
  299   2HG   PRO 560          1HG       PRO 560   0.080  -2.225  -5.264
  300   1HD   PRO 560          2HD       PRO 560  -0.337   0.092  -3.954
  301   2HD   PRO 560          1HD       PRO 560   0.946  -0.097  -5.163
  302    H    ARG 561           H        ARG 561  -3.046   0.708  -5.291
  303    HA   ARG 561           HA       ARG 561  -5.447   0.096  -6.603
  304   1HB   ARG 561          2HB       ARG 561  -6.445   1.668  -4.833
  305   2HB   ARG 561          1HB       ARG 561  -5.575   0.249  -4.265
  306   1HG   ARG 561          2HG       ARG 561  -3.857   1.471  -3.406
  307   2HG   ARG 561          1HG       ARG 561  -4.049   2.774  -4.580
  308   1HD   ARG 561          2HD       ARG 561  -4.931   3.867  -2.816
  309   2HD   ARG 561          1HD       ARG 561  -6.384   2.980  -3.262
  310    HE   ARG 561           HE       ARG 561  -5.191   1.284  -1.565
  311   1HH1  ARG 561          1HH1      ARG 561  -5.899   4.689  -1.347
  312   2HH1  ARG 561          2HH1      ARG 561  -6.077   4.672   0.375
  313   1HH2  ARG 561          1HH2      ARG 561  -5.438   1.249   0.697
  314   2HH2  ARG 561          2HH2      ARG 561  -5.812   2.715   1.539
  315    H    ASN 562           H        ASN 562  -3.402   2.889  -6.713
  316    HA   ASN 562           HA       ASN 562  -5.256   4.122  -8.626
  317   1HB   ASN 562          2HB       ASN 562  -3.653   5.892  -6.822
  318   2HB   ASN 562          1HB       ASN 562  -5.159   6.230  -7.667
  319   1HD2  ASN 562          1HD2      ASN 562  -4.033   6.126  -4.745
  320   2HD2  ASN 562          2HD2      ASN 562  -5.353   5.435  -3.871
  321    H    GLY 563           H        GLY 563  -2.047   4.880  -7.264
  322   1HA   GLY 563          2HA       GLY 563  -0.089   4.274  -8.687
  323   2HA   GLY 563          1HA       GLY 563  -1.019   4.911 -10.034
  324    H    ARG 564           H        ARG 564  -0.726   6.296  -6.795
  325    HA   ARG 564           HA       ARG 564   0.838   8.512  -7.925
  326   1HB   ARG 564          2HB       ARG 564  -1.701   8.687  -6.317
  327   2HB   ARG 564          1HB       ARG 564  -0.560  10.022  -6.391
  328   1HG   ARG 564          2HG       ARG 564  -1.163  10.591  -8.474
  329   2HG   ARG 564          1HG       ARG 564  -1.336   8.913  -8.995
  330   1HD   ARG 564          2HD       ARG 564  -3.462   8.827  -7.658
  331   2HD   ARG 564          1HD       ARG 564  -3.307  10.568  -7.431
  332    HE   ARG 564           HE       ARG 564  -3.150   9.999 -10.171
  333   1HH1  ARG 564          1HH1      ARG 564  -5.448   9.945  -7.557
  334   2HH1  ARG 564          2HH1      ARG 564  -6.818  10.215  -8.582
  335   1HH2  ARG 564          1HH2      ARG 564  -4.944  10.354 -11.533
  336   2HH2  ARG 564          2HH2      ARG 564  -6.531  10.447 -10.845
  337    H    ALA 565           H        ALA 565   1.610   9.993  -6.065
  338    HA   ALA 565           HA       ALA 565   3.241   8.430  -4.365
  339   1HB   ALA 565          1HB       ALA 565   4.210  10.442  -4.938
  340   2HB   ALA 565          2HB       ALA 565   3.657  10.767  -3.295
  341   3HB   ALA 565          3HB       ALA 565   2.725  11.355  -4.671
  342    H    SER 566           H        SER 566   1.197   7.257  -3.519
  343    HA   SER 566           HA       SER 566  -0.338   6.851  -1.870
  344   1HB   SER 566          2HB       SER 566   0.653   6.728   0.208
  345   2HB   SER 566          1HB       SER 566   2.083   6.921  -0.806
  346    HG   SER 566           HG       SER 566   2.342   8.925  -0.095
  347   1H    THR 227          1HT       THR 227  16.508   9.714   0.914
  348   2H    THR 227          2HT       THR 227  15.467  10.442  -0.202
  349   3H    THR 227          3HT       THR 227  16.800   9.555  -0.746
  350    HA   THR 227           HA       THR 227  14.362   8.565  -0.663
  351    HB   THR 227           HB       THR 227  16.395   7.491  -1.614
  352    HG1  THR 227           1HG      THR 227  15.155   5.787  -1.746
  353   1HG2  THR 227          1HG2      THR 227  17.545   7.664   0.759
  354   2HG2  THR 227          2HG2      THR 227  17.959   6.367  -0.363
  355   3HG2  THR 227          3HG2      THR 227  16.838   6.062   0.965
  356    H    GLY 228           H        GLY 228  14.307   6.146   0.739
  357   1HA   GLY 228          2HA       GLY 228  14.627   5.721   3.276
  358   2HA   GLY 228          1HA       GLY 228  13.601   7.141   3.414
  359    H    LEU 229           H        LEU 229  13.512   4.276   1.302
  360    HA   LEU 229           HA       LEU 229  10.718   3.877   2.142
  361   1HB   LEU 229          2HB       LEU 229  10.802   4.377  -0.183
  362   2HB   LEU 229          1HB       LEU 229  12.130   3.268  -0.447
  363    HG   LEU 229           HG       LEU 229  10.280   1.520   0.426
  364   1HD1  LEU 229          1HD1      LEU 229   8.172   2.226  -0.874
  365   2HD1  LEU 229          2HD1      LEU 229   8.794   3.865  -0.688
  366   3HD1  LEU 229          3HD1      LEU 229   8.436   2.891   0.737
  367   1HD2  LEU 229          1HD2      LEU 229  11.571   1.355  -1.637
  368   2HD2  LEU 229          2HD2      LEU 229  10.526   2.558  -2.394
  369   3HD2  LEU 229          3HD2      LEU 229   9.867   0.992  -1.921
  370    HA   PRO 230           HA       PRO 230  12.950   0.360   4.151
  371   1HB   PRO 230          2HB       PRO 230  10.221   0.224   5.346
  372   2HB   PRO 230          1HB       PRO 230  11.800   0.093   6.129
  373   1HG   PRO 230          2HG       PRO 230  10.351   2.321   6.341
  374   2HG   PRO 230          1HG       PRO 230  12.116   2.388   6.178
  375   1HD   PRO 230          2HD       PRO 230   9.999   2.970   4.159
  376   2HD   PRO 230          1HD       PRO 230  11.590   3.722   4.380
  377    H    SER 231           H        SER 231  13.063  -1.032   2.424
  378    HA   SER 231           HA       SER 231  11.016  -1.975   0.842
  379   1HB   SER 231          2HB       SER 231  12.489  -3.952   0.409
  380   2HB   SER 231          1HB       SER 231  13.320  -2.404   0.259
  381    HG   SER 231           HG       SER 231  14.632  -3.677   1.479
  382    H    TYR 232           H        TYR 232   9.819  -3.908   0.799
  383    HA   TYR 232           HA       TYR 232   8.569  -4.567   3.222
  384   1HB   TYR 232          2HB       TYR 232   7.435  -4.794   1.081
  385   2HB   TYR 232          1HB       TYR 232   8.578  -6.033   0.579
  386    HD1  TYR 232           1HD      TYR 232   7.693  -6.313   4.033
  387    HD2  TYR 232           2HD      TYR 232   6.402  -7.271   0.097
  388    HE1  TYR 232           1HE      TYR 232   6.211  -8.046   4.952
  389    HE2  TYR 232           2HE      TYR 232   4.913  -9.010   1.005
  390    HH   TYR 232           HH       TYR 232   4.118  -9.235   4.258
  391    H    ASP 233           H        ASP 233  10.334  -5.105   4.607
  392    HA   ASP 233           HA       ASP 233  10.687  -7.838   5.021
  393   1HB   ASP 233          2HB       ASP 233  12.164  -7.385   2.921
  394   2HB   ASP 233          1HB       ASP 233  13.276  -6.647   4.069
  395    H    GLU 234           H        GLU 234  12.054  -4.619   5.379
  396    HA   GLU 234           HA       GLU 234  12.679  -5.260   8.186
  397   1HB   GLU 234          2HB       GLU 234  14.253  -3.196   7.908
  398   2HB   GLU 234          1HB       GLU 234  14.765  -4.772   7.318
  399   1HG   GLU 234          2HG       GLU 234  15.324  -3.222   5.641
  400   2HG   GLU 234          1HG       GLU 234  13.898  -4.081   5.060
  401    H    ALA 235           H        ALA 235  10.218  -4.105   6.740
  402    HA   ALA 235           HA       ALA 235  10.015  -1.620   8.308
  403   1HB   ALA 235          1HB       ALA 235   9.666  -1.845   5.642
  404   2HB   ALA 235          2HB       ALA 235   8.875  -0.626   6.640
  405   3HB   ALA 235          3HB       ALA 235   8.015  -2.102   6.204
  406    H    LEU 236           H        LEU 236   8.409  -4.632   7.444
  407    HA   LEU 236           HA       LEU 236   5.985  -4.234   8.776
  408   1HB   LEU 236          2HB       LEU 236   6.943  -6.192   7.237
  409   2HB   LEU 236          1HB       LEU 236   7.195  -6.946   8.799
  410    HG   LEU 236           HG       LEU 236   4.534  -5.898   7.834
  411   1HD1  LEU 236          1HD1      LEU 236   5.924  -8.446   7.387
  412   2HD1  LEU 236          2HD1      LEU 236   4.605  -7.694   6.489
  413   3HD1  LEU 236          3HD1      LEU 236   4.266  -8.589   7.970
  414   1HD2  LEU 236          1HD2      LEU 236   4.664  -5.923  10.231
  415   2HD2  LEU 236          2HD2      LEU 236   5.342  -7.551  10.221
  416   3HD2  LEU 236          3HD2      LEU 236   3.676  -7.287   9.707
  417    H    HIS 237           H        HIS 237   5.517  -4.006  10.854
  418    HA   HIS 237           HA       HIS 237   6.433  -5.581  12.941
  419   1HB   HIS 237          2HB       HIS 237   8.414  -3.745  12.159
  420   2HB   HIS 237          1HB       HIS 237   7.726  -3.098  13.642
  421    HD1  HIS 237           1HD      HIS 237   7.471  -5.187  15.563
  422    HD2  HIS 237           2HD      HIS 237  10.472  -5.395  12.697
  423    HE1  HIS 237           1HE      HIS 237   9.180  -6.779  16.494
  424    HE2  HIS 237           2HE      HIS 237  10.980  -6.902  14.736
  Start of MODEL   18
    1   1H    GLY 521          1HT       GLY 521 -15.702   4.478 -17.817
    2   2H    GLY 521          2HT       GLY 521 -15.744   4.425 -19.508
    3   3H    GLY 521          3HT       GLY 521 -15.615   5.912 -18.712
    4   1HA   GLY 521          1HA       GLY 521 -13.541   4.488 -19.708
    5   2HA   GLY 521          2HA       GLY 521 -13.419   5.771 -18.513
    6    HA   PRO 522           HA       PRO 522 -11.345   1.950 -16.795
    7   1HB   PRO 522          2HB       PRO 522  -9.933   4.163 -15.392
    8   2HB   PRO 522          1HB       PRO 522  -9.276   2.701 -16.135
    9   1HG   PRO 522          2HG       PRO 522  -9.011   5.067 -17.328
   10   2HG   PRO 522          1HG       PRO 522  -9.334   3.601 -18.272
   11   1HD   PRO 522          2HD       PRO 522 -11.189   5.815 -17.514
   12   2HD   PRO 522          1HD       PRO 522 -11.111   4.870 -19.016
   13    H    LEU 523           H        LEU 523 -10.652   1.884 -14.243
   14    HA   LEU 523           HA       LEU 523 -12.835   3.038 -12.666
   15   1HB   LEU 523          2HB       LEU 523 -12.949   0.753 -11.486
   16   2HB   LEU 523          1HB       LEU 523 -13.766   0.945 -13.026
   17    HG   LEU 523           HG       LEU 523 -11.000  -0.221 -12.837
   18   1HD1  LEU 523          1HD1      LEU 523 -12.760  -2.312 -13.277
   19   2HD1  LEU 523          2HD1      LEU 523 -13.500  -1.389 -11.969
   20   3HD1  LEU 523          3HD1      LEU 523 -11.851  -1.992 -11.801
   21   1HD2  LEU 523          1HD2      LEU 523 -12.611  -1.271 -14.923
   22   2HD2  LEU 523          2HD2      LEU 523 -11.159  -0.276 -15.048
   23   3HD2  LEU 523          3HD2      LEU 523 -12.747   0.487 -14.958
   24    H    GLY 524           H        GLY 524 -10.190   3.914 -12.737
   25   1HA   GLY 524          2HA       GLY 524  -9.040   2.864 -10.236
   26   2HA   GLY 524          1HA       GLY 524  -8.144   3.735 -11.472
   27    H    SER 525           H        SER 525 -10.459   5.672 -11.679
   28    HA   SER 525           HA       SER 525  -9.455   7.539  -9.748
   29   1HB   SER 525          2HB       SER 525 -10.365   7.973 -12.166
   30   2HB   SER 525          1HB       SER 525 -11.935   8.034 -11.365
   31    HG   SER 525           HG       SER 525 -11.382  10.037 -11.016
   32    H    GLY 526           H        GLY 526  -9.986   6.475  -7.772
   33   1HA   GLY 526          2HA       GLY 526 -12.845   6.727  -7.067
   34   2HA   GLY 526          1HA       GLY 526 -11.836   5.421  -6.463
   35    H    GLU 527           H        GLU 527 -11.700   5.759  -4.331
   36    HA   GLU 527           HA       GLU 527 -10.537   8.298  -3.448
   37   1HB   GLU 527          2HB       GLU 527 -13.227   7.473  -2.938
   38   2HB   GLU 527          1HB       GLU 527 -12.338   7.450  -1.420
   39   1HG   GLU 527          2HG       GLU 527 -12.398   9.800  -3.295
   40   2HG   GLU 527          1HG       GLU 527 -13.490   9.597  -1.925
   41    H    GLU 528           H        GLU 528 -11.705   5.216  -2.066
   42    HA   GLU 528           HA       GLU 528  -9.013   4.786  -0.969
   43   1HB   GLU 528          2HB       GLU 528 -11.364   5.382   0.537
   44   2HB   GLU 528          1HB       GLU 528 -10.908   3.717   0.866
   45   1HG   GLU 528          2HG       GLU 528  -8.712   4.399   1.556
   46   2HG   GLU 528          1HG       GLU 528  -9.041   6.066   1.087
   47    H    GLU 529           H        GLU 529  -8.248   2.904  -1.646
   48    HA   GLU 529           HA       GLU 529 -10.144   0.796  -2.403
   49   1HB   GLU 529          2HB       GLU 529  -8.048   1.857  -3.818
   50   2HB   GLU 529          1HB       GLU 529  -7.313   0.426  -3.109
   51   1HG   GLU 529          2HG       GLU 529  -8.296   0.131  -5.393
   52   2HG   GLU 529          1HG       GLU 529  -8.851  -1.011  -4.174
   53    HA   PRO 530           HA       PRO 530  -8.610  -1.682   0.936
   54   1HB   PRO 530          2HB       PRO 530  -9.417  -4.144  -0.212
   55   2HB   PRO 530          1HB       PRO 530 -10.355  -3.114   0.871
   56   1HG   PRO 530          2HG       PRO 530 -10.952  -3.633  -1.802
   57   2HG   PRO 530          1HG       PRO 530 -11.616  -2.309  -0.833
   58   1HD   PRO 530          2HD       PRO 530  -9.384  -2.277  -2.815
   59   2HD   PRO 530          1HD       PRO 530 -10.613  -1.041  -2.475
   60    H    LEU 531           H        LEU 531  -6.660  -1.224  -1.318
   61    HA   LEU 531           HA       LEU 531  -4.596  -1.955  -1.932
   62   1HB   LEU 531          2HB       LEU 531  -4.639  -4.130   0.104
   63   2HB   LEU 531          1HB       LEU 531  -3.330  -3.060  -0.357
   64    HG   LEU 531           HG       LEU 531  -5.704  -2.321   1.354
   65   1HD1  LEU 531          1HD1      LEU 531  -2.849  -2.287   2.222
   66   2HD1  LEU 531          2HD1      LEU 531  -3.764  -3.792   2.254
   67   3HD1  LEU 531          3HD1      LEU 531  -4.315  -2.404   3.193
   68   1HD2  LEU 531          1HD2      LEU 531  -4.899  -0.483  -0.107
   69   2HD2  LEU 531          2HD2      LEU 531  -3.304  -0.652   0.625
   70   3HD2  LEU 531          3HD2      LEU 531  -4.681  -0.166   1.614
   71    HA   PRO 532           HA       PRO 532  -5.601  -5.066  -4.931
   72   1HB   PRO 532          2HB       PRO 532  -2.646  -5.461  -4.929
   73   2HB   PRO 532          1HB       PRO 532  -3.751  -5.236  -6.289
   74   1HG   PRO 532          2HG       PRO 532  -2.210  -3.245  -5.469
   75   2HG   PRO 532          1HG       PRO 532  -3.882  -2.942  -5.973
   76   1HD   PRO 532          2HD       PRO 532  -2.718  -3.021  -3.226
   77   2HD   PRO 532          1HD       PRO 532  -4.026  -2.012  -3.868
   78    HA   PRO 533           HA       PRO 533  -5.328  -9.132  -3.312
   79   1HB   PRO 533          2HB       PRO 533  -3.718 -10.204  -5.516
   80   2HB   PRO 533          1HB       PRO 533  -5.371 -10.589  -5.035
   81   1HG   PRO 533          2HG       PRO 533  -4.864  -9.190  -7.258
   82   2HG   PRO 533          1HG       PRO 533  -6.270  -8.819  -6.239
   83   1HD   PRO 533          2HD       PRO 533  -3.608  -7.440  -6.368
   84   2HD   PRO 533          1HD       PRO 533  -5.237  -6.731  -6.304
   85    H    ARG 534           H        ARG 534  -2.292  -7.715  -3.970
   86    HA   ARG 534           HA       ARG 534  -1.104  -9.512  -1.988
   87   1HB   ARG 534          2HB       ARG 534   0.025  -9.003  -4.735
   88   2HB   ARG 534          1HB       ARG 534   0.978  -9.661  -3.411
   89   1HG   ARG 534          2HG       ARG 534  -1.571 -10.944  -4.342
   90   2HG   ARG 534          1HG       ARG 534  -0.003 -11.316  -5.058
   91   1HD   ARG 534          2HD       ARG 534   0.729 -12.429  -3.215
   92   2HD   ARG 534          1HD       ARG 534  -0.190 -11.412  -2.106
   93    HE   ARG 534           HE       ARG 534  -1.938 -13.017  -3.642
   94   1HH1  ARG 534          1HH1      ARG 534   0.340 -13.196  -1.014
   95   2HH1  ARG 534          2HH1      ARG 534  -0.433 -14.555  -0.266
   96   1HH2  ARG 534          1HH2      ARG 534  -2.962 -14.807  -2.667
   97   2HH2  ARG 534          2HH2      ARG 534  -2.309 -15.471  -1.207
   98    H    TRP 535           H        TRP 535  -1.904  -6.948  -1.481
   99    HA   TRP 535           HA       TRP 535   0.698  -5.704  -0.992
  100   1HB   TRP 535          2HB       TRP 535  -1.650  -4.265  -2.211
  101   2HB   TRP 535          1HB       TRP 535  -0.198  -3.475  -1.609
  102    HD1  TRP 535           HD       TRP 535  -1.049  -6.235  -4.207
  103    HE1  TRP 535           1HE      TRP 535   0.526  -5.941  -6.215
  104    HE3  TRP 535           3HE      TRP 535   1.746  -2.333  -2.459
  105    HZ2  TRP 535           2HZ      TRP 535   2.687  -4.264  -6.956
  106    HZ3  TRP 535           3HZ      TRP 535   3.551  -1.445  -3.876
  107    HH2  TRP 535           HH       TRP 535   4.010  -2.394  -6.078
  108    H    SER 536           H        SER 536   0.498  -3.783   0.493
  109    HA   SER 536           HA       SER 536  -1.733  -3.943   2.362
  110   1HB   SER 536          2HB       SER 536   0.673  -5.287   2.875
  111   2HB   SER 536          1HB       SER 536   0.748  -3.828   3.852
  112    HG   SER 536           HG       SER 536  -1.564  -5.442   3.814
  113    H    MET 537           H        MET 537  -0.426  -2.398   4.386
  114    HA   MET 537           HA       MET 537   0.412   0.045   3.032
  115   1HB   MET 537          2HB       MET 537  -2.041  -0.210   4.759
  116   2HB   MET 537          1HB       MET 537  -1.253   1.335   4.463
  117   1HG   MET 537          2HG       MET 537  -1.519   0.593   1.949
  118   2HG   MET 537          1HG       MET 537  -2.818  -0.387   2.623
  119   1HE   MET 537          1HE       MET 537  -2.352   4.061   3.284
  120   2HE   MET 537          2HE       MET 537  -2.112   3.632   1.590
  121   3HE   MET 537          3HE       MET 537  -1.116   2.884   2.838
  122    H    GLN 538           H        GLN 538   1.601   1.451   4.317
  123    HA   GLN 538           HA       GLN 538   1.877   1.150   7.127
  124   1HB   GLN 538          2HB       GLN 538   3.102  -0.847   6.579
  125   2HB   GLN 538          1HB       GLN 538   4.059   0.008   5.377
  126   1HG   GLN 538          2HG       GLN 538   5.221   1.228   7.044
  127   2HG   GLN 538          1HG       GLN 538   4.111   0.690   8.303
  128   1HE2  GLN 538          1HE2      GLN 538   4.997  -0.734   9.596
  129   2HE2  GLN 538          2HE2      GLN 538   6.119  -1.967   9.146
  130    H    VAL 539           H        VAL 539   2.797   2.926   8.012
  131    HA   VAL 539           HA       VAL 539   3.536   5.074   6.204
  132    HB   VAL 539           HB       VAL 539   3.413   5.132   9.224
  133   1HG1  VAL 539          1HG1      VAL 539   3.716   7.379   9.122
  134   2HG1  VAL 539          2HG1      VAL 539   2.933   7.526   7.548
  135   3HG1  VAL 539          3HG1      VAL 539   4.593   6.941   7.656
  136   1HG2  VAL 539          1HG2      VAL 539   1.286   4.580   7.665
  137   2HG2  VAL 539          2HG2      VAL 539   1.243   6.343   7.637
  138   3HG2  VAL 539          3HG2      VAL 539   1.184   5.484   9.176
  139    H    ALA 540           H        ALA 540   5.541   5.754   5.801
  140    HA   ALA 540           HA       ALA 540   7.744   4.415   7.198
  141   1HB   ALA 540          1HB       ALA 540   8.926   5.728   5.138
  142   2HB   ALA 540          2HB       ALA 540   7.323   5.418   4.472
  143   3HB   ALA 540          3HB       ALA 540   8.310   4.078   5.052
  144    HA   PRO 541           HA       PRO 541   9.007   8.004   9.429
  145   1HB   PRO 541          2HB       PRO 541  11.748   7.770   9.168
  146   2HB   PRO 541          1HB       PRO 541  10.775   6.896  10.355
  147   1HG   PRO 541          2HG       PRO 541  11.820   5.975   7.711
  148   2HG   PRO 541          1HG       PRO 541  11.717   5.093   9.247
  149   1HD   PRO 541          2HD       PRO 541   9.953   4.679   7.264
  150   2HD   PRO 541          1HD       PRO 541   9.461   4.630   8.970
  151    H    ASN 542           H        ASN 542  10.067   7.407   6.177
  152    HA   ASN 542           HA       ASN 542  11.485   9.660   5.513
  153   1HB   ASN 542          2HB       ASN 542  10.885   7.662   4.052
  154   2HB   ASN 542          1HB       ASN 542   9.353   8.469   3.738
  155   1HD2  ASN 542          1HD2      ASN 542   9.891   8.533   1.536
  156   2HD2  ASN 542          2HD2      ASN 542  11.009   9.694   0.918
  157    H    GLY 543           H        GLY 543   7.963   9.272   5.679
  158   1HA   GLY 543          2HA       GLY 543   7.018  11.469   6.682
  159   2HA   GLY 543          1HA       GLY 543   7.652  12.155   5.195
  160    H    ARG 544           H        ARG 544   6.846   9.348   4.018
  161    HA   ARG 544           HA       ARG 544   3.974   9.915   3.784
  162   1HB   ARG 544          2HB       ARG 544   3.999   9.666   1.427
  163   2HB   ARG 544          1HB       ARG 544   5.301  10.781   1.817
  164   1HG   ARG 544          2HG       ARG 544   6.264   8.067   1.781
  165   2HG   ARG 544          1HG       ARG 544   5.457   8.474   0.268
  166   1HD   ARG 544          2HD       ARG 544   7.499  10.282   1.520
  167   2HD   ARG 544          1HD       ARG 544   7.956   8.963   0.443
  168    HE   ARG 544           HE       ARG 544   6.111  10.280  -1.006
  169   1HH1  ARG 544          1HH1      ARG 544   8.933  11.346   0.734
  170   2HH1  ARG 544          2HH1      ARG 544   9.249  12.673  -0.332
  171   1HH2  ARG 544          1HH2      ARG 544   6.519  12.024  -2.420
  172   2HH2  ARG 544          2HH2      ARG 544   7.877  13.058  -2.126
  173    H    THR 545           H        THR 545   2.660   8.126   3.152
  174    HA   THR 545           HA       THR 545   3.564   5.653   4.309
  175    HB   THR 545           HB       THR 545   1.213   4.967   3.171
  176    HG1  THR 545           1HG      THR 545   0.769   7.674   3.879
  177   1HG2  THR 545          1HG2      THR 545   1.925   6.225   5.776
  178   2HG2  THR 545          2HG2      THR 545   1.314   4.607   5.432
  179   3HG2  THR 545          3HG2      THR 545   0.218   5.988   5.403
  180    H    PHE 546           H        PHE 546   3.850   3.689   3.244
  181    HA   PHE 546           HA       PHE 546   4.123   3.922   0.326
  182   1HB   PHE 546          2HB       PHE 546   5.924   2.168   0.567
  183   2HB   PHE 546          1HB       PHE 546   6.319   3.762   1.196
  184    HD1  PHE 546           1HD      PHE 546   5.951   4.128   3.728
  185    HD2  PHE 546           2HD      PHE 546   6.205   0.298   1.883
  186    HE1  PHE 546           1HE      PHE 546   6.528   3.115   5.899
  187    HE2  PHE 546           2HE      PHE 546   6.780  -0.716   4.049
  188    HZ   PHE 546           HZ       PHE 546   6.942   0.695   6.061
  189    H    PHE 547           H        PHE 547   4.057   1.787  -0.805
  190    HA   PHE 547           HA       PHE 547   1.936   0.130   0.381
  191   1HB   PHE 547          2HB       PHE 547   2.203   1.359  -2.197
  192   2HB   PHE 547          1HB       PHE 547   2.090  -0.386  -2.386
  193    HD1  PHE 547           1HD      PHE 547   0.092  -1.575  -1.733
  194    HD2  PHE 547           2HD      PHE 547   0.358   2.647  -1.311
  195    HE1  PHE 547           1HE      PHE 547  -2.345  -1.461  -1.426
  196    HE2  PHE 547           2HE      PHE 547  -2.082   2.774  -1.004
  197    HZ   PHE 547           HZ       PHE 547  -3.435   0.718  -1.061
  198    H    ILE 548           H        ILE 548   2.403  -1.836   0.922
  199    HA   ILE 548           HA       ILE 548   4.939  -2.993   0.178
  200    HB   ILE 548           HB       ILE 548   2.714  -4.014   1.942
  201   1HG1  ILE 548          2HG1      ILE 548   5.214  -3.539   3.262
  202   2HG1  ILE 548          1HG1      ILE 548   4.773  -2.104   2.336
  203   1HG2  ILE 548          1HG2      ILE 548   5.407  -5.196   1.299
  204   2HG2  ILE 548          2HG2      ILE 548   3.820  -5.946   1.125
  205   3HG2  ILE 548          3HG2      ILE 548   4.481  -5.641   2.732
  206   1HD1  ILE 548          1HD1      ILE 548   2.918  -1.697   3.606
  207   2HD1  ILE 548          2HD1      ILE 548   3.981  -2.425   4.810
  208   3HD1  ILE 548          3HD1      ILE 548   2.713  -3.391   4.054
  209    H    ASP 549           H        ASP 549   5.231  -4.828  -1.014
  210    HA   ASP 549           HA       ASP 549   2.905  -5.816  -2.523
  211   1HB   ASP 549          2HB       ASP 549   4.278  -4.433  -3.974
  212   2HB   ASP 549          1HB       ASP 549   5.721  -5.334  -3.521
  213    H    HIS 550           H        HIS 550   2.495  -7.858  -2.017
  214    HA   HIS 550           HA       HIS 550   4.488  -9.537  -0.795
  215   1HB   HIS 550          2HB       HIS 550   1.653 -10.164  -1.649
  216   2HB   HIS 550          1HB       HIS 550   2.675 -11.203  -0.662
  217    HD2  HIS 550           2HD      HIS 550   2.121  -7.348  -0.099
  218    HE1  HIS 550           1HE      HIS 550   0.799  -9.516   3.287
  219    HE2  HIS 550           2HE      HIS 550   1.354  -7.217   2.375
  220    H    ALA 551           H        ALA 551   3.075  -9.142  -3.954
  221    HA   ALA 551           HA       ALA 551   3.622 -11.569  -5.154
  222   1HB   ALA 551          1HB       ALA 551   4.254  -9.277  -6.853
  223   2HB   ALA 551          2HB       ALA 551   2.708  -9.141  -6.015
  224   3HB   ALA 551          3HB       ALA 551   3.032 -10.532  -7.049
  225    H    SER 552           H        SER 552   5.775  -8.778  -4.752
  226    HA   SER 552           HA       SER 552   8.039 -10.507  -5.503
  227   1HB   SER 552          2HB       SER 552   7.329  -8.093  -6.618
  228   2HB   SER 552          1HB       SER 552   8.562  -7.625  -5.447
  229    HG   SER 552           HG       SER 552   9.972  -9.101  -6.419
  230    H    ARG 553           H        ARG 553   6.551  -9.134  -2.859
  231    HA   ARG 553           HA       ARG 553   7.157  -8.879  -0.690
  232   1HB   ARG 553          2HB       ARG 553   9.697 -10.244  -1.592
  233   2HB   ARG 553          1HB       ARG 553   9.260  -9.935   0.080
  234   1HG   ARG 553          2HG       ARG 553   7.800 -11.713  -1.859
  235   2HG   ARG 553          1HG       ARG 553   8.775 -12.222  -0.479
  236   1HD   ARG 553          2HD       ARG 553   6.890 -10.403   0.527
  237   2HD   ARG 553          1HD       ARG 553   6.008 -11.459  -0.576
  238    HE   ARG 553           HE       ARG 553   7.677 -12.983   1.126
  239   1HH1  ARG 553          1HH1      ARG 553   4.718 -11.146   1.119
  240   2HH1  ARG 553          2HH1      ARG 553   4.001 -12.050   2.410
  241   1HH2  ARG 553          1HH2      ARG 553   6.744 -14.182   2.824
  242   2HH2  ARG 553          2HH2      ARG 553   5.154 -13.778   3.381
  243    H    ARG 554           H        ARG 554   7.365  -6.640  -2.162
  244    HA   ARG 554           HA       ARG 554   9.661  -5.306  -0.937
  245   1HB   ARG 554          2HB       ARG 554   8.911  -5.060  -3.854
  246   2HB   ARG 554          1HB       ARG 554  10.088  -4.049  -3.030
  247   1HG   ARG 554          2HG       ARG 554  11.658  -5.701  -2.935
  248   2HG   ARG 554          1HG       ARG 554  10.455  -6.993  -2.927
  249   1HD   ARG 554          2HD       ARG 554  11.143  -7.260  -5.062
  250   2HD   ARG 554          1HD       ARG 554   9.996  -5.955  -5.362
  251    HE   ARG 554           HE       ARG 554  11.755  -4.546  -5.808
  252   1HH1  ARG 554          1HH1      ARG 554  12.946  -7.475  -4.348
  253   2HH1  ARG 554          2HH1      ARG 554  14.608  -7.115  -4.673
  254   1HH2  ARG 554          1HH2      ARG 554  13.944  -4.061  -6.240
  255   2HH2  ARG 554          2HH2      ARG 554  15.175  -5.175  -5.748
  256    H    THR 555           H        THR 555   9.336  -2.768  -1.792
  257    HA   THR 555           HA       THR 555   6.516  -2.096  -1.328
  258    HB   THR 555           HB       THR 555   7.091  -0.355   0.260
  259    HG1  THR 555           1HG      THR 555   9.355  -0.401   1.057
  260   1HG2  THR 555          1HG2      THR 555   6.587  -2.404   1.323
  261   2HG2  THR 555          2HG2      THR 555   8.052  -1.816   2.109
  262   3HG2  THR 555          3HG2      THR 555   8.153  -3.096   0.901
  263    H    THR 556           H        THR 556   6.463   0.520  -1.397
  264    HA   THR 556           HA       THR 556   8.190   1.826  -3.198
  265    HB   THR 556           HB       THR 556   7.400   0.633  -5.025
  266    HG1  THR 556           1HG      THR 556   6.969   2.503  -5.921
  267   1HG2  THR 556          1HG2      THR 556   5.669  -0.651  -3.926
  268   2HG2  THR 556          2HG2      THR 556   5.009   0.085  -5.386
  269   3HG2  THR 556          3HG2      THR 556   4.642   0.778  -3.807
  270    H    TRP 557           H        TRP 557   7.272   3.935  -3.946
  271    HA   TRP 557           HA       TRP 557   5.679   5.084  -1.794
  272   1HB   TRP 557          2HB       TRP 557   7.211   6.342  -4.075
  273   2HB   TRP 557          1HB       TRP 557   6.304   7.250  -2.871
  274    HD1  TRP 557           HD       TRP 557   9.690   6.603  -3.547
  275    HE1  TRP 557           1HE      TRP 557  11.145   6.511  -1.422
  276    HE3  TRP 557           3HE      TRP 557   6.000   5.974  -0.089
  277    HZ2  TRP 557           2HZ      TRP 557  10.766   6.209   1.360
  278    HZ3  TRP 557           3HZ      TRP 557   6.624   5.793   2.291
  279    HH2  TRP 557           HH       TRP 557   8.958   5.905   2.996
  280    H    ILE 558           H        ILE 558   4.599   3.423  -4.150
  281    HA   ILE 558           HA       ILE 558   2.509   5.357  -4.882
  282    HB   ILE 558           HB       ILE 558   3.566   3.285  -6.791
  283   1HG1  ILE 558          2HG1      ILE 558   5.240   5.104  -6.068
  284   2HG1  ILE 558          1HG1      ILE 558   4.966   4.891  -7.796
  285   1HG2  ILE 558          1HG2      ILE 558   1.716   5.641  -7.083
  286   2HG2  ILE 558          2HG2      ILE 558   1.343   3.935  -7.326
  287   3HG2  ILE 558          3HG2      ILE 558   2.412   4.773  -8.451
  288   1HD1  ILE 558          1HD1      ILE 558   3.796   6.879  -7.977
  289   2HD1  ILE 558          2HD1      ILE 558   5.062   7.268  -6.813
  290   3HD1  ILE 558          3HD1      ILE 558   3.423   6.934  -6.255
  291    H    ASP 559           H        ASP 559   0.450   4.619  -4.918
  292    HA   ASP 559           HA       ASP 559   0.002   1.976  -3.783
  293   1HB   ASP 559          2HB       ASP 559  -2.368   2.836  -3.538
  294   2HB   ASP 559          1HB       ASP 559  -1.142   3.705  -2.622
  295    HA   PRO 560           HA       PRO 560  -0.750   0.483  -7.992
  296   1HB   PRO 560          2HB       PRO 560  -1.934  -1.877  -6.993
  297   2HB   PRO 560          1HB       PRO 560  -0.272  -1.676  -7.546
  298   1HG   PRO 560          2HG       PRO 560  -1.356  -1.705  -4.790
  299   2HG   PRO 560          1HG       PRO 560   0.248  -2.162  -5.384
  300   1HD   PRO 560          2HD       PRO 560  -0.206   0.114  -4.011
  301   2HD   PRO 560          1HD       PRO 560   1.048  -0.010  -5.261
  302    H    ARG 561           H        ARG 561  -3.058   0.537  -5.338
  303    HA   ARG 561           HA       ARG 561  -5.399  -0.042  -6.721
  304   1HB   ARG 561          2HB       ARG 561  -6.458   1.505  -4.938
  305   2HB   ARG 561          1HB       ARG 561  -5.633   0.047  -4.407
  306   1HG   ARG 561          2HG       ARG 561  -3.984   1.191  -3.376
  307   2HG   ARG 561          1HG       ARG 561  -3.986   2.488  -4.571
  308   1HD   ARG 561          2HD       ARG 561  -4.924   3.664  -2.889
  309   2HD   ARG 561          1HD       ARG 561  -6.400   2.882  -3.455
  310    HE   ARG 561           HE       ARG 561  -5.458   1.125  -1.645
  311   1HH1  ARG 561          1HH1      ARG 561  -6.020   4.559  -1.532
  312   2HH1  ARG 561          2HH1      ARG 561  -6.363   4.579   0.167
  313   1HH2  ARG 561          1HH2      ARG 561  -5.906   1.138   0.591
  314   2HH2  ARG 561          2HH2      ARG 561  -6.297   2.634   1.374
  315    H    ASN 562           H        ASN 562  -3.396   2.763  -6.852
  316    HA   ASN 562           HA       ASN 562  -5.300   3.999  -8.713
  317   1HB   ASN 562          2HB       ASN 562  -3.713   5.749  -6.866
  318   2HB   ASN 562          1HB       ASN 562  -5.199   6.110  -7.737
  319   1HD2  ASN 562          1HD2      ASN 562  -4.101   5.877  -4.787
  320   2HD2  ASN 562          2HD2      ASN 562  -5.456   5.200  -3.960
  321    H    GLY 563           H        GLY 563  -2.073   4.697  -7.357
  322   1HA   GLY 563          2HA       GLY 563  -0.138   4.156  -8.835
  323   2HA   GLY 563          1HA       GLY 563  -1.079   4.871 -10.136
  324    H    ARG 564           H        ARG 564  -0.909   6.171  -6.877
  325    HA   ARG 564           HA       ARG 564   0.828   8.335  -7.837
  326   1HB   ARG 564          2HB       ARG 564  -1.770   8.691  -6.333
  327   2HB   ARG 564          1HB       ARG 564  -0.607   9.974  -6.632
  328   1HG   ARG 564          2HG       ARG 564  -1.582  10.393  -8.568
  329   2HG   ARG 564          1HG       ARG 564  -1.187   8.764  -9.120
  330   1HD   ARG 564          2HD       ARG 564  -3.460   8.706  -9.327
  331   2HD   ARG 564          1HD       ARG 564  -3.295   8.134  -7.668
  332    HE   ARG 564           HE       ARG 564  -3.533  10.845  -7.439
  333   1HH1  ARG 564          1HH1      ARG 564  -5.432   8.315  -8.896
  334   2HH1  ARG 564          2HH1      ARG 564  -6.942   9.123  -8.641
  335   1HH2  ARG 564          1HH2      ARG 564  -5.519  11.921  -7.100
  336   2HH2  ARG 564          2HH2      ARG 564  -6.992  11.173  -7.621
  337    H    ALA 565           H        ALA 565   1.277   9.839  -5.794
  338    HA   ALA 565           HA       ALA 565   2.897   8.376  -4.068
  339   1HB   ALA 565          1HB       ALA 565   3.629  10.423  -3.631
  340   2HB   ALA 565          2HB       ALA 565   2.142  10.772  -2.750
  341   3HB   ALA 565          3HB       ALA 565   2.241  11.108  -4.478
  342    H    SER 566           H        SER 566   2.244   6.888  -2.669
  343    HA   SER 566           HA       SER 566  -0.332   6.648  -1.608
  344   1HB   SER 566          2HB       SER 566   0.876   4.666  -1.544
  345   2HB   SER 566          1HB       SER 566   2.329   5.450  -0.927
  346    HG   SER 566           HG       SER 566   0.681   4.122   0.491
  347   1H    THR 227          1HT       THR 227  14.741   5.416  -1.010
  348   2H    THR 227          2HT       THR 227  16.204   6.214  -0.719
  349   3H    THR 227          3HT       THR 227  15.488   6.293  -2.250
  350    HA   THR 227           HA       THR 227  15.256   8.302  -0.732
  351    HB   THR 227           HB       THR 227  12.818   8.593  -1.423
  352    HG1  THR 227           1HG      THR 227  12.299   6.878  -3.085
  353   1HG2  THR 227          1HG2      THR 227  13.377   8.958  -3.700
  354   2HG2  THR 227          2HG2      THR 227  14.637   7.723  -3.661
  355   3HG2  THR 227          3HG2      THR 227  14.857   9.235  -2.780
  356    H    GLY 228           H        GLY 228  15.375   6.128   1.162
  357   1HA   GLY 228          2HA       GLY 228  14.677   5.730   3.314
  358   2HA   GLY 228          1HA       GLY 228  13.739   7.211   3.201
  359    H    LEU 229           H        LEU 229  13.479   4.216   1.315
  360    HA   LEU 229           HA       LEU 229  10.683   4.015   2.215
  361   1HB   LEU 229          2HB       LEU 229  10.908   4.385  -0.178
  362   2HB   LEU 229          1HB       LEU 229  11.986   3.013  -0.316
  363    HG   LEU 229           HG       LEU 229   9.699   1.934   0.826
  364   1HD1  LEU 229          1HD1      LEU 229   8.938   3.914  -1.318
  365   2HD1  LEU 229          2HD1      LEU 229   8.447   3.963   0.376
  366   3HD1  LEU 229          3HD1      LEU 229   7.889   2.654  -0.668
  367   1HD2  LEU 229          1HD2      LEU 229  10.698   2.027  -2.012
  368   2HD2  LEU 229          2HD2      LEU 229   9.378   0.986  -1.481
  369   3HD2  LEU 229          3HD2      LEU 229  10.992   0.781  -0.800
  370    HA   PRO 230           HA       PRO 230  12.645   0.526   4.493
  371   1HB   PRO 230          2HB       PRO 230   9.815   0.522   5.446
  372   2HB   PRO 230          1HB       PRO 230  11.313   0.355   6.370
  373   1HG   PRO 230          2HG       PRO 230   9.964   2.647   6.385
  374   2HG   PRO 230          1HG       PRO 230  11.737   2.635   6.351
  375   1HD   PRO 230          2HD       PRO 230   9.802   3.225   4.162
  376   2HD   PRO 230          1HD       PRO 230  11.410   3.912   4.466
  377    H    SER 231           H        SER 231  12.813  -0.740   2.590
  378    HA   SER 231           HA       SER 231  10.819  -1.788   1.036
  379   1HB   SER 231          2HB       SER 231  13.105  -3.568   1.797
  380   2HB   SER 231          1HB       SER 231  12.384  -3.289   0.212
  381    HG   SER 231           HG       SER 231  13.391  -1.292   0.135
  382    H    TYR 232           H        TYR 232   9.946  -3.979   0.924
  383    HA   TYR 232           HA       TYR 232   8.620  -4.668   3.342
  384   1HB   TYR 232          2HB       TYR 232   7.555  -4.920   1.153
  385   2HB   TYR 232          1HB       TYR 232   8.751  -6.120   0.693
  386    HD1  TYR 232           1HD      TYR 232   6.491  -7.296   0.164
  387    HD2  TYR 232           2HD      TYR 232   7.901  -6.548   4.106
  388    HE1  TYR 232           1HE      TYR 232   5.026  -9.081   1.023
  389    HE2  TYR 232           2HE      TYR 232   6.445  -8.326   4.975
  390    HH   TYR 232           HH       TYR 232   3.912  -9.550   3.431
  391    H    ASP 233           H        ASP 233  10.552  -5.027   4.643
  392    HA   ASP 233           HA       ASP 233  11.036  -7.751   5.101
  393   1HB   ASP 233          2HB       ASP 233  12.415  -7.413   3.003
  394   2HB   ASP 233          1HB       ASP 233  13.438  -6.329   3.942
  395    H    GLU 234           H        GLU 234  12.420  -4.501   5.348
  396    HA   GLU 234           HA       GLU 234  13.014  -5.044   8.183
  397   1HB   GLU 234          2HB       GLU 234  14.569  -2.996   7.880
  398   2HB   GLU 234          1HB       GLU 234  15.084  -4.550   7.239
  399   1HG   GLU 234          2HG       GLU 234  14.693  -3.914   5.040
  400   2HG   GLU 234          1HG       GLU 234  13.635  -2.585   5.514
  401    H    ALA 235           H        ALA 235  10.510  -4.041   6.790
  402    HA   ALA 235           HA       ALA 235  10.256  -1.482   8.224
  403   1HB   ALA 235          1HB       ALA 235   9.946  -1.620   5.651
  404   2HB   ALA 235          2HB       ALA 235   8.790  -0.698   6.612
  405   3HB   ALA 235          3HB       ALA 235   8.377  -2.319   6.052
  406    H    LEU 236           H        LEU 236   8.682  -4.552   7.471
  407    HA   LEU 236           HA       LEU 236   6.305  -4.223   8.864
  408   1HB   LEU 236          2HB       LEU 236   7.449  -6.245   7.453
  409   2HB   LEU 236          1HB       LEU 236   7.554  -6.884   9.083
  410    HG   LEU 236           HG       LEU 236   5.008  -5.956   7.752
  411   1HD1  LEU 236          1HD1      LEU 236   5.394  -8.783   8.471
  412   2HD1  LEU 236          2HD1      LEU 236   6.354  -8.199   7.111
  413   3HD1  LEU 236          3HD1      LEU 236   4.596  -8.061   7.073
  414   1HD2  LEU 236          1HD2      LEU 236   4.222  -7.487   9.804
  415   2HD2  LEU 236          2HD2      LEU 236   4.432  -5.740   9.929
  416   3HD2  LEU 236          3HD2      LEU 236   5.707  -6.824  10.488
  417    H    HIS 237           H        HIS 237   9.461  -5.330  10.030
  418    HA   HIS 237           HA       HIS 237   8.445  -5.105  12.786
  419   1HB   HIS 237          2HB       HIS 237  10.856  -6.685  11.879
  420   2HB   HIS 237          1HB       HIS 237  10.089  -6.724  13.463
  421    HD1  HIS 237           1HD      HIS 237   7.985  -8.165  13.726
  422    HD2  HIS 237           2HD      HIS 237   9.516  -8.134   9.863
  423    HE1  HIS 237           1HE      HIS 237   6.782 -10.009  12.512
  424    HE2  HIS 237           2HE      HIS 237   7.677  -9.928  10.157
  Start of MODEL   19
    1   1H    GLY 521          1HT       GLY 521 -17.181  -4.524   6.932
    2   2H    GLY 521          2HT       GLY 521 -16.872  -5.540   8.249
    3   3H    GLY 521          3HT       GLY 521 -15.634  -5.171   7.159
    4   1HA   GLY 521          2HA       GLY 521 -15.109  -3.287   8.184
    5   2HA   GLY 521          1HA       GLY 521 -16.086  -3.903   9.509
    6    HA   PRO 522           HA       PRO 522 -18.904  -0.552   9.079
    7   1HB   PRO 522          2HB       PRO 522 -17.628   1.553  10.219
    8   2HB   PRO 522          1HB       PRO 522 -18.262   0.196  11.157
    9   1HG   PRO 522          2HG       PRO 522 -15.460   0.717  10.235
   10   2HG   PRO 522          1HG       PRO 522 -16.030   0.148  11.815
   11   1HD   PRO 522          2HD       PRO 522 -15.018  -1.529   9.949
   12   2HD   PRO 522          1HD       PRO 522 -16.296  -2.022  11.079
   13    H    LEU 523           H        LEU 523 -18.951   1.933   8.465
   14    HA   LEU 523           HA       LEU 523 -17.577   2.130   5.883
   15   1HB   LEU 523          2HB       LEU 523 -20.017   2.286   5.849
   16   2HB   LEU 523          1HB       LEU 523 -19.958   3.638   6.963
   17    HG   LEU 523           HG       LEU 523 -18.373   4.538   4.925
   18   1HD1  LEU 523          1HD1      LEU 523 -18.710   2.998   3.276
   19   2HD1  LEU 523          2HD1      LEU 523 -20.060   4.084   2.952
   20   3HD1  LEU 523          3HD1      LEU 523 -20.329   2.583   3.838
   21   1HD2  LEU 523          1HD2      LEU 523 -20.203   6.000   4.393
   22   2HD2  LEU 523          2HD2      LEU 523 -20.193   5.715   6.134
   23   3HD2  LEU 523          3HD2      LEU 523 -21.361   4.879   5.112
   24    H    GLY 524           H        GLY 524 -15.606   2.686   7.191
   25   1HA   GLY 524          2HA       GLY 524 -15.263   4.923   8.751
   26   2HA   GLY 524          1HA       GLY 524 -14.028   4.288   7.675
   27    H    SER 525           H        SER 525 -14.452   7.038   8.339
   28    HA   SER 525           HA       SER 525 -15.526   8.168   5.856
   29   1HB   SER 525          2HB       SER 525 -14.583   9.814   8.185
   30   2HB   SER 525          1HB       SER 525 -15.818  10.193   6.986
   31    HG   SER 525           HG       SER 525 -16.194   9.188   9.367
   32    H    GLY 526           H        GLY 526 -12.925   6.769   6.075
   33   1HA   GLY 526          2HA       GLY 526 -11.091   9.005   5.496
   34   2HA   GLY 526          1HA       GLY 526 -10.591   7.394   5.986
   35    H    GLU 527           H        GLU 527  -9.313   8.350   3.888
   36    HA   GLU 527           HA       GLU 527 -10.668   7.444   1.462
   37   1HB   GLU 527          2HB       GLU 527  -8.689   8.408   0.296
   38   2HB   GLU 527          1HB       GLU 527  -9.568   9.578   1.271
   39   1HG   GLU 527          2HG       GLU 527  -7.382   8.239   2.681
   40   2HG   GLU 527          1HG       GLU 527  -6.874   9.213   1.302
   41    H    GLU 528           H        GLU 528  -9.703   5.613   3.584
   42    HA   GLU 528           HA       GLU 528  -7.361   4.286   2.712
   43   1HB   GLU 528          2HB       GLU 528  -8.685   4.151   4.974
   44   2HB   GLU 528          1HB       GLU 528  -9.550   2.850   4.167
   45   1HG   GLU 528          2HG       GLU 528  -7.227   1.877   3.680
   46   2HG   GLU 528          1HG       GLU 528  -6.656   3.002   4.912
   47    H    GLU 529           H        GLU 529  -7.615   4.039   0.451
   48    HA   GLU 529           HA       GLU 529  -9.792   2.608  -0.691
   49   1HB   GLU 529          2HB       GLU 529  -7.497   4.025  -1.627
   50   2HB   GLU 529          1HB       GLU 529  -7.519   2.442  -2.390
   51   1HG   GLU 529          2HG       GLU 529  -8.691   4.291  -3.628
   52   2HG   GLU 529          1HG       GLU 529  -9.626   2.821  -3.358
   53    HA   PRO 530           HA       PRO 530  -8.737  -1.613   0.004
   54   1HB   PRO 530          2HB       PRO 530  -9.411  -2.101  -2.844
   55   2HB   PRO 530          1HB       PRO 530 -10.091  -2.829  -1.387
   56   1HG   PRO 530          2HG       PRO 530 -11.477  -1.033  -2.782
   57   2HG   PRO 530          1HG       PRO 530 -11.529  -1.046  -1.009
   58   1HD   PRO 530          2HD       PRO 530 -10.013   0.766  -2.849
   59   2HD   PRO 530          1HD       PRO 530 -10.879   1.151  -1.347
   60    H    LEU 531           H        LEU 531  -6.926  -2.789  -0.078
   61    HA   LEU 531           HA       LEU 531  -4.840  -2.017  -1.962
   62   1HB   LEU 531          2HB       LEU 531  -4.454  -4.120   0.120
   63   2HB   LEU 531          1HB       LEU 531  -3.314  -2.931  -0.485
   64    HG   LEU 531           HG       LEU 531  -5.657  -2.256   1.292
   65   1HD1  LEU 531          1HD1      LEU 531  -3.747  -3.769   2.217
   66   2HD1  LEU 531          2HD1      LEU 531  -4.322  -2.390   3.154
   67   3HD1  LEU 531          3HD1      LEU 531  -2.828  -2.264   2.226
   68   1HD2  LEU 531          1HD2      LEU 531  -3.198  -0.646   0.637
   69   2HD2  LEU 531          2HD2      LEU 531  -4.625  -0.121   1.531
   70   3HD2  LEU 531          3HD2      LEU 531  -4.743  -0.464  -0.195
   71    HA   PRO 532           HA       PRO 532  -5.648  -5.249  -4.837
   72   1HB   PRO 532          2HB       PRO 532  -2.677  -5.473  -4.929
   73   2HB   PRO 532          1HB       PRO 532  -3.836  -5.337  -6.252
   74   1HG   PRO 532          2HG       PRO 532  -2.397  -3.237  -5.511
   75   2HG   PRO 532          1HG       PRO 532  -4.102  -3.050  -5.960
   76   1HD   PRO 532          2HD       PRO 532  -2.840  -3.021  -3.254
   77   2HD   PRO 532          1HD       PRO 532  -4.228  -2.097  -3.864
   78    HA   PRO 533           HA       PRO 533  -5.168  -9.267  -3.156
   79   1HB   PRO 533          2HB       PRO 533  -3.702 -10.339  -5.454
   80   2HB   PRO 533          1HB       PRO 533  -5.318 -10.729  -4.863
   81   1HG   PRO 533          2HG       PRO 533  -4.951  -9.351  -7.131
   82   2HG   PRO 533          1HG       PRO 533  -6.308  -8.997  -6.042
   83   1HD   PRO 533          2HD       PRO 533  -3.690  -7.564  -6.338
   84   2HD   PRO 533          1HD       PRO 533  -5.328  -6.893  -6.178
   85    H    ARG 534           H        ARG 534  -2.303  -7.644  -3.753
   86    HA   ARG 534           HA       ARG 534  -0.902  -9.491  -1.994
   87   1HB   ARG 534          2HB       ARG 534   0.122  -8.794  -4.748
   88   2HB   ARG 534          1HB       ARG 534   1.087  -9.567  -3.498
   89   1HG   ARG 534          2HG       ARG 534  -1.452 -10.715  -4.633
   90   2HG   ARG 534          1HG       ARG 534   0.170 -11.133  -5.183
   91   1HD   ARG 534          2HD       ARG 534   0.566 -12.446  -3.406
   92   2HD   ARG 534          1HD       ARG 534  -0.209 -11.327  -2.284
   93    HE   ARG 534           HE       ARG 534  -2.259 -12.451  -3.718
   94   1HH1  ARG 534          1HH1      ARG 534   0.316 -13.629  -1.689
   95   2HH1  ARG 534          2HH1      ARG 534  -0.572 -15.016  -1.149
   96   1HH2  ARG 534          1HH2      ARG 534  -3.435 -14.271  -3.012
   97   2HH2  ARG 534          2HH2      ARG 534  -2.703 -15.381  -1.902
   98    H    TRP 535           H        TRP 535  -1.838  -6.892  -1.513
   99    HA   TRP 535           HA       TRP 535   0.742  -5.602  -1.015
  100   1HB   TRP 535          2HB       TRP 535  -1.632  -4.162  -2.192
  101   2HB   TRP 535          1HB       TRP 535  -0.143  -3.395  -1.653
  102    HD1  TRP 535           HD       TRP 535  -1.093  -6.199  -4.168
  103    HE1  TRP 535           1HE      TRP 535   0.390  -5.931  -6.248
  104    HE3  TRP 535           3HE      TRP 535   1.716  -2.239  -2.617
  105    HZ2  TRP 535           2HZ      TRP 535   2.498  -4.236  -7.109
  106    HZ3  TRP 535           3HZ      TRP 535   3.448  -1.350  -4.121
  107    HH2  TRP 535           HH       TRP 535   3.831  -2.333  -6.322
  108    H    SER 536           H        SER 536   0.520  -3.687   0.457
  109    HA   SER 536           HA       SER 536  -1.693  -3.864   2.341
  110   1HB   SER 536          2HB       SER 536   0.772  -5.147   2.837
  111   2HB   SER 536          1HB       SER 536   0.751  -3.712   3.853
  112    HG   SER 536           HG       SER 536  -1.539  -4.550   4.303
  113    H    MET 537           H        MET 537  -0.453  -2.301   4.346
  114    HA   MET 537           HA       MET 537   0.370   0.154   2.987
  115   1HB   MET 537          2HB       MET 537  -2.031  -0.137   4.776
  116   2HB   MET 537          1HB       MET 537  -1.267   1.418   4.476
  117   1HG   MET 537          2HG       MET 537  -1.614   0.843   1.986
  118   2HG   MET 537          1HG       MET 537  -2.761  -0.351   2.588
  119   1HE   MET 537          1HE       MET 537  -2.441   3.968   3.217
  120   2HE   MET 537          2HE       MET 537  -3.203   3.834   1.632
  121   3HE   MET 537          3HE       MET 537  -1.684   2.996   1.954
  122    H    GLN 538           H        GLN 538   1.821   1.337   4.130
  123    HA   GLN 538           HA       GLN 538   2.082   1.072   6.981
  124   1HB   GLN 538          2HB       GLN 538   3.248  -0.956   6.166
  125   2HB   GLN 538          1HB       GLN 538   4.325   0.066   5.220
  126   1HG   GLN 538          2HG       GLN 538   5.675   0.012   6.981
  127   2HG   GLN 538          1HG       GLN 538   4.541   1.125   7.741
  128   1HE2  GLN 538          1HE2      GLN 538   6.275  -1.461   8.384
  129   2HE2  GLN 538          2HE2      GLN 538   5.243  -2.298   9.488
  130    H    VAL 539           H        VAL 539   2.794   2.928   7.798
  131    HA   VAL 539           HA       VAL 539   3.629   5.047   6.029
  132    HB   VAL 539           HB       VAL 539   3.531   5.107   9.047
  133   1HG1  VAL 539          1HG1      VAL 539   3.072   7.421   7.206
  134   2HG1  VAL 539          2HG1      VAL 539   4.711   6.923   7.629
  135   3HG1  VAL 539          3HG1      VAL 539   3.585   7.419   8.893
  136   1HG2  VAL 539          1HG2      VAL 539   1.291   6.318   7.631
  137   2HG2  VAL 539          2HG2      VAL 539   1.301   5.251   9.037
  138   3HG2  VAL 539          3HG2      VAL 539   1.387   4.571   7.412
  139    H    ALA 540           H        ALA 540   5.640   5.744   5.655
  140    HA   ALA 540           HA       ALA 540   7.833   4.352   7.009
  141   1HB   ALA 540          1HB       ALA 540   8.359   4.109   4.829
  142   2HB   ALA 540          2HB       ALA 540   9.060   5.714   5.038
  143   3HB   ALA 540          3HB       ALA 540   7.450   5.539   4.338
  144    HA   PRO 541           HA       PRO 541   9.148   7.841   9.366
  145   1HB   PRO 541          2HB       PRO 541  11.877   7.659   9.060
  146   2HB   PRO 541          1HB       PRO 541  10.936   6.672  10.185
  147   1HG   PRO 541          2HG       PRO 541  11.947   5.992   7.453
  148   2HG   PRO 541          1HG       PRO 541  11.913   4.991   8.917
  149   1HD   PRO 541          2HD       PRO 541  10.100   4.681   6.959
  150   2HD   PRO 541          1HD       PRO 541   9.662   4.486   8.670
  151    H    ASN 542           H        ASN 542  10.171   7.409   6.076
  152    HA   ASN 542           HA       ASN 542  11.542   9.707   5.481
  153   1HB   ASN 542          2HB       ASN 542  10.952   7.777   3.944
  154   2HB   ASN 542          1HB       ASN 542   9.384   8.543   3.718
  155   1HD2  ASN 542          1HD2      ASN 542   9.917   8.641   1.491
  156   2HD2  ASN 542          2HD2      ASN 542  10.945   9.889   0.887
  157    H    GLY 543           H        GLY 543   8.061   9.269   5.870
  158   1HA   GLY 543          2HA       GLY 543   7.062  11.360   6.927
  159   2HA   GLY 543          1HA       GLY 543   7.707  12.175   5.511
  160    H    ARG 544           H        ARG 544   6.924   9.402   4.166
  161    HA   ARG 544           HA       ARG 544   4.066  10.012   3.882
  162   1HB   ARG 544          2HB       ARG 544   4.157   9.851   1.516
  163   2HB   ARG 544          1HB       ARG 544   5.451  10.944   1.989
  164   1HG   ARG 544          2HG       ARG 544   6.461   8.276   1.912
  165   2HG   ARG 544          1HG       ARG 544   5.620   8.628   0.404
  166   1HD   ARG 544          2HD       ARG 544   7.930  10.098   1.640
  167   2HD   ARG 544          1HD       ARG 544   7.856   9.298   0.070
  168    HE   ARG 544           HE       ARG 544   5.974  11.195  -0.174
  169   1HH1  ARG 544          1HH1      ARG 544   9.275  11.317   0.937
  170   2HH1  ARG 544          2HH1      ARG 544   9.530  12.944   0.402
  171   1HH2  ARG 544          1HH2      ARG 544   6.303  13.340  -0.879
  172   2HH2  ARG 544          2HH2      ARG 544   7.843  14.093  -0.629
  173    H    THR 545           H        THR 545   2.763   8.259   3.110
  174    HA   THR 545           HA       THR 545   3.647   5.720   4.170
  175    HB   THR 545           HB       THR 545   1.250   5.111   3.131
  176    HG1  THR 545           1HG      THR 545  -0.054   7.082   3.542
  177   1HG2  THR 545          1HG2      THR 545   2.055   6.359   5.717
  178   2HG2  THR 545          2HG2      THR 545   1.440   4.738   5.389
  179   3HG2  THR 545          3HG2      THR 545   0.339   6.115   5.396
  180    H    PHE 546           H        PHE 546   3.846   3.806   3.014
  181    HA   PHE 546           HA       PHE 546   4.021   4.140   0.098
  182   1HB   PHE 546          2HB       PHE 546   5.783   2.319   0.233
  183   2HB   PHE 546          1HB       PHE 546   6.244   3.893   0.870
  184    HD1  PHE 546           1HD      PHE 546   5.995   4.228   3.419
  185    HD2  PHE 546           2HD      PHE 546   6.041   0.420   1.511
  186    HE1  PHE 546           1HE      PHE 546   6.616   3.161   5.551
  187    HE2  PHE 546           2HE      PHE 546   6.658  -0.646   3.639
  188    HZ   PHE 546           HZ       PHE 546   6.946   0.727   5.663
  189    H    PHE 547           H        PHE 547   4.225   1.728  -0.854
  190    HA   PHE 547           HA       PHE 547   1.991   0.183   0.286
  191   1HB   PHE 547          2HB       PHE 547   2.221   1.392  -2.318
  192   2HB   PHE 547          1HB       PHE 547   2.058  -0.352  -2.473
  193    HD1  PHE 547           1HD      PHE 547  -0.003  -1.430  -2.042
  194    HD2  PHE 547           2HD      PHE 547   0.485   2.690  -1.100
  195    HE1  PHE 547           1HE      PHE 547  -2.427  -1.231  -1.668
  196    HE2  PHE 547           2HE      PHE 547  -1.937   2.897  -0.726
  197    HZ   PHE 547           HZ       PHE 547  -3.397   0.934  -1.009
  198    H    ILE 548           H        ILE 548   2.461  -1.793   0.793
  199    HA   ILE 548           HA       ILE 548   5.004  -2.911   0.004
  200    HB   ILE 548           HB       ILE 548   2.847  -3.949   1.839
  201   1HG1  ILE 548          2HG1      ILE 548   5.348  -3.437   3.116
  202   2HG1  ILE 548          1HG1      ILE 548   4.921  -2.022   2.156
  203   1HG2  ILE 548          1HG2      ILE 548   4.522  -5.609   2.571
  204   2HG2  ILE 548          2HG2      ILE 548   5.591  -5.071   1.276
  205   3HG2  ILE 548          3HG2      ILE 548   4.047  -5.828   0.887
  206   1HD1  ILE 548          1HD1      ILE 548   4.143  -2.091   4.574
  207   2HD1  ILE 548          2HD1      ILE 548   2.974  -3.299   4.042
  208   3HD1  ILE 548          3HD1      ILE 548   2.942  -1.677   3.351
  209    H    ASP 549           H        ASP 549   5.292  -4.796  -1.118
  210    HA   ASP 549           HA       ASP 549   2.963  -5.812  -2.603
  211   1HB   ASP 549          2HB       ASP 549   4.359  -4.454  -4.076
  212   2HB   ASP 549          1HB       ASP 549   5.778  -5.397  -3.633
  213    H    HIS 550           H        HIS 550   2.549  -7.815  -1.963
  214    HA   HIS 550           HA       HIS 550   4.547  -9.481  -0.751
  215   1HB   HIS 550          2HB       HIS 550   1.707 -10.137  -1.558
  216   2HB   HIS 550          1HB       HIS 550   2.734 -11.115  -0.515
  217    HD2  HIS 550           2HD      HIS 550   2.329  -7.240  -0.077
  218    HE1  HIS 550           1HE      HIS 550   0.693  -9.241   3.274
  219    HE2  HIS 550           2HE      HIS 550   1.422  -6.999   2.341
  220    H    ALA 551           H        ALA 551   3.019  -9.226  -3.887
  221    HA   ALA 551           HA       ALA 551   3.518 -11.670  -5.026
  222   1HB   ALA 551          1HB       ALA 551   2.440  -9.548  -6.024
  223   2HB   ALA 551          2HB       ALA 551   3.291 -10.655  -7.102
  224   3HB   ALA 551          3HB       ALA 551   4.073  -9.166  -6.570
  225    H    SER 552           H        SER 552   5.784  -8.990  -4.593
  226    HA   SER 552           HA       SER 552   7.972 -10.834  -5.289
  227   1HB   SER 552          2HB       SER 552   7.313  -8.483  -6.617
  228   2HB   SER 552          1HB       SER 552   8.656  -8.017  -5.575
  229    HG   SER 552           HG       SER 552   9.778  -9.878  -6.459
  230    H    ARG 553           H        ARG 553   6.552  -9.345  -2.747
  231    HA   ARG 553           HA       ARG 553   7.195  -8.834  -0.633
  232   1HB   ARG 553          2HB       ARG 553   9.605 -10.411  -1.526
  233   2HB   ARG 553          1HB       ARG 553   9.439  -9.780   0.107
  234   1HG   ARG 553          2HG       ARG 553   7.547 -11.704  -1.231
  235   2HG   ARG 553          1HG       ARG 553   8.773 -12.122  -0.032
  236   1HD   ARG 553          2HD       ARG 553   7.652 -10.658   1.595
  237   2HD   ARG 553          1HD       ARG 553   6.414 -10.290   0.396
  238    HE   ARG 553           HE       ARG 553   5.464 -12.351   0.772
  239   1HH1  ARG 553          1HH1      ARG 553   8.585 -12.202   2.315
  240   2HH1  ARG 553          2HH1      ARG 553   8.350 -13.661   3.217
  241   1HH2  ARG 553          1HH2      ARG 553   5.149 -14.273   1.954
  242   2HH2  ARG 553          2HH2      ARG 553   6.399 -14.840   3.011
  243    H    ARG 554           H        ARG 554   7.261  -6.648  -1.938
  244    HA   ARG 554           HA       ARG 554   9.686  -5.296  -1.055
  245   1HB   ARG 554          2HB       ARG 554   8.647  -4.809  -3.842
  246   2HB   ARG 554          1HB       ARG 554  10.156  -4.254  -3.131
  247   1HG   ARG 554          2HG       ARG 554  11.094  -6.432  -3.200
  248   2HG   ARG 554          1HG       ARG 554   9.535  -7.156  -3.603
  249   1HD   ARG 554          2HD       ARG 554  11.179  -5.314  -5.334
  250   2HD   ARG 554          1HD       ARG 554  10.911  -7.038  -5.583
  251    HE   ARG 554           HE       ARG 554   8.406  -5.991  -5.572
  252   1HH1  ARG 554          1HH1      ARG 554  11.321  -5.290  -7.342
  253   2HH1  ARG 554          2HH1      ARG 554  10.485  -4.735  -8.754
  254   1HH2  ARG 554          1HH2      ARG 554   7.294  -5.265  -7.426
  255   2HH2  ARG 554          2HH2      ARG 554   8.195  -4.721  -8.802
  256    H    THR 555           H        THR 555   9.196  -2.798  -2.115
  257    HA   THR 555           HA       THR 555   6.450  -2.084  -1.434
  258    HB   THR 555           HB       THR 555   7.193  -0.273   0.095
  259    HG1  THR 555           1HG      THR 555   9.307  -0.215   0.787
  260   1HG2  THR 555          1HG2      THR 555   6.818  -2.936   0.681
  261   2HG2  THR 555          2HG2      THR 555   6.890  -1.626   1.855
  262   3HG2  THR 555          3HG2      THR 555   8.336  -2.564   1.491
  263    H    THR 556           H        THR 556   6.329   0.484  -1.576
  264    HA   THR 556           HA       THR 556   8.093   1.799  -3.354
  265    HB   THR 556           HB       THR 556   7.326   0.621  -5.190
  266    HG1  THR 556           1HG      THR 556   6.979   2.705  -5.788
  267   1HG2  THR 556          1HG2      THR 556   5.664  -0.793  -4.397
  268   2HG2  THR 556          2HG2      THR 556   4.768   0.260  -5.491
  269   3HG2  THR 556          3HG2      THR 556   4.703   0.536  -3.751
  270    H    TRP 557           H        TRP 557   7.230   3.916  -4.079
  271    HA   TRP 557           HA       TRP 557   5.633   5.088  -1.956
  272   1HB   TRP 557          2HB       TRP 557   7.140   6.298  -4.275
  273   2HB   TRP 557          1HB       TRP 557   6.219   7.235  -3.105
  274    HD1  TRP 557           HD       TRP 557   9.619   6.616  -3.744
  275    HE1  TRP 557           1HE      TRP 557  11.064   6.608  -1.612
  276    HE3  TRP 557           3HE      TRP 557   5.921   6.045  -0.287
  277    HZ2  TRP 557           2HZ      TRP 557  10.677   6.388   1.178
  278    HZ3  TRP 557           3HZ      TRP 557   6.535   5.947   2.101
  279    HH2  TRP 557           HH       TRP 557   8.863   6.111   2.814
  280    H    ILE 558           H        ILE 558   4.565   3.403  -4.349
  281    HA   ILE 558           HA       ILE 558   2.457   5.319  -5.056
  282    HB   ILE 558           HB       ILE 558   3.502   3.191  -6.910
  283   1HG1  ILE 558          2HG1      ILE 558   5.127   5.097  -6.264
  284   2HG1  ILE 558          1HG1      ILE 558   4.860   4.783  -7.979
  285   1HG2  ILE 558          1HG2      ILE 558   1.475   3.620  -7.802
  286   2HG2  ILE 558          2HG2      ILE 558   2.303   5.027  -8.471
  287   3HG2  ILE 558          3HG2      ILE 558   1.335   5.187  -7.005
  288   1HD1  ILE 558          1HD1      ILE 558   3.396   6.911  -6.443
  289   2HD1  ILE 558          2HD1      ILE 558   3.467   6.689  -8.190
  290   3HD1  ILE 558          3HD1      ILE 558   4.908   7.192  -7.307
  291    H    ASP 559           H        ASP 559   0.388   4.583  -5.110
  292    HA   ASP 559           HA       ASP 559  -0.059   1.970  -3.883
  293   1HB   ASP 559          2HB       ASP 559  -2.098   4.147  -4.323
  294   2HB   ASP 559          1HB       ASP 559  -2.199   2.787  -3.210
  295    HA   PRO 560           HA       PRO 560  -1.037   0.475  -8.052
  296   1HB   PRO 560          2HB       PRO 560  -2.280  -1.820  -6.955
  297   2HB   PRO 560          1HB       PRO 560  -0.651  -1.709  -7.618
  298   1HG   PRO 560          2HG       PRO 560  -1.547  -1.676  -4.800
  299   2HG   PRO 560          1HG       PRO 560   0.003  -2.188  -5.489
  300   1HD   PRO 560          2HD       PRO 560  -0.299   0.113  -4.106
  301   2HD   PRO 560          1HD       PRO 560   0.879  -0.061  -5.421
  302    H    ARG 561           H        ARG 561  -3.182   0.544  -5.267
  303    HA   ARG 561           HA       ARG 561  -5.637   0.140  -6.489
  304   1HB   ARG 561          2HB       ARG 561  -6.437   1.806  -4.620
  305   2HB   ARG 561          1HB       ARG 561  -5.803   0.224  -4.189
  306   1HG   ARG 561          2HG       ARG 561  -4.084   1.100  -3.077
  307   2HG   ARG 561          1HG       ARG 561  -3.732   2.257  -4.361
  308   1HD   ARG 561          2HD       ARG 561  -4.419   3.793  -2.884
  309   2HD   ARG 561          1HD       ARG 561  -6.041   3.269  -3.332
  310    HE   ARG 561           HE       ARG 561  -5.462   1.574  -1.351
  311   1HH1  ARG 561          1HH1      ARG 561  -5.108   5.037  -1.578
  312   2HH1  ARG 561          2HH1      ARG 561  -5.305   5.295   0.122
  313   1HH2  ARG 561          1HH2      ARG 561  -5.721   1.910   0.886
  314   2HH2  ARG 561          2HH2      ARG 561  -5.653   3.519   1.522
  315    H    ASN 562           H        ASN 562  -3.544   2.917  -6.552
  316    HA   ASN 562           HA       ASN 562  -5.470   4.269  -8.316
  317   1HB   ASN 562          2HB       ASN 562  -3.643   5.825  -6.506
  318   2HB   ASN 562          1HB       ASN 562  -5.106   6.363  -7.324
  319   1HD2  ASN 562          1HD2      ASN 562  -4.013   5.992  -4.415
  320   2HD2  ASN 562          2HD2      ASN 562  -5.398   5.384  -3.580
  321    H    GLY 563           H        GLY 563  -2.118   4.816  -7.214
  322   1HA   GLY 563          2HA       GLY 563  -0.302   4.214  -8.790
  323   2HA   GLY 563          1HA       GLY 563  -1.324   4.865 -10.063
  324    H    ARG 564           H        ARG 564  -0.740   6.246  -6.862
  325    HA   ARG 564           HA       ARG 564   0.850   8.384  -8.080
  326   1HB   ARG 564          2HB       ARG 564  -1.556   8.838  -6.307
  327   2HB   ARG 564          1HB       ARG 564  -0.451  10.090  -6.856
  328   1HG   ARG 564          2HG       ARG 564  -1.576  10.328  -8.747
  329   2HG   ARG 564          1HG       ARG 564  -1.429   8.606  -9.105
  330   1HD   ARG 564          2HD       ARG 564  -3.335   8.734  -7.090
  331   2HD   ARG 564          1HD       ARG 564  -3.704  10.111  -8.128
  332    HE   ARG 564           HE       ARG 564  -3.274   7.663  -9.572
  333   1HH1  ARG 564          1HH1      ARG 564  -5.604   9.612  -7.870
  334   2HH1  ARG 564          2HH1      ARG 564  -6.970   8.924  -8.684
  335   1HH2  ARG 564          1HH2      ARG 564  -5.066   6.748 -10.652
  336   2HH2  ARG 564          2HH2      ARG 564  -6.663   7.296 -10.265
  337    H    ALA 565           H        ALA 565   1.611   9.923  -6.214
  338    HA   ALA 565           HA       ALA 565   3.238   8.370  -4.508
  339   1HB   ALA 565          1HB       ALA 565   4.330  10.303  -4.761
  340   2HB   ALA 565          2HB       ALA 565   3.331  10.884  -3.428
  341   3HB   ALA 565          3HB       ALA 565   2.851  11.203  -5.095
  342    H    SER 566           H        SER 566   1.268   7.147  -3.642
  343    HA   SER 566           HA       SER 566  -0.231   6.675  -1.984
  344   1HB   SER 566          2HB       SER 566   0.711   6.754   0.144
  345   2HB   SER 566          1HB       SER 566   2.134   6.861  -0.894
  346    HG   SER 566           HG       SER 566   2.390   8.925  -0.364
  347   1H    THR 227          1HT       THR 227  13.762   9.779  -0.156
  348   2H    THR 227          2HT       THR 227  15.388  10.169  -0.414
  349   3H    THR 227          3HT       THR 227  14.880   9.619   1.103
  350    HA   THR 227           HA       THR 227  14.265   7.831  -1.067
  351    HB   THR 227           HB       THR 227  16.438   8.635  -1.857
  352    HG1  THR 227           1HG      THR 227  16.475   6.565  -2.356
  353   1HG2  THR 227          1HG2      THR 227  18.100   7.551   0.229
  354   2HG2  THR 227          2HG2      THR 227  17.046   8.808   0.875
  355   3HG2  THR 227          3HG2      THR 227  18.114   9.164  -0.484
  356    H    GLY 228           H        GLY 228  13.136   7.886   1.351
  357   1HA   GLY 228          2HA       GLY 228  14.531   5.749   2.841
  358   2HA   GLY 228          1HA       GLY 228  13.576   6.995   3.628
  359    H    LEU 229           H        LEU 229  13.323   4.354   1.268
  360    HA   LEU 229           HA       LEU 229  10.521   3.991   2.093
  361   1HB   LEU 229          2HB       LEU 229  10.684   4.395  -0.260
  362   2HB   LEU 229          1HB       LEU 229  11.963   3.212  -0.435
  363    HG   LEU 229           HG       LEU 229   9.837   1.761   0.626
  364   1HD1  LEU 229          1HD1      LEU 229   7.877   2.408  -0.287
  365   2HD1  LEU 229          2HD1      LEU 229   8.643   3.073  -1.730
  366   3HD1  LEU 229          3HD1      LEU 229   8.632   4.001  -0.230
  367   1HD2  LEU 229          1HD2      LEU 229   9.699   1.028  -1.883
  368   2HD2  LEU 229          2HD2      LEU 229  11.137   0.679  -0.926
  369   3HD2  LEU 229          3HD2      LEU 229  11.132   2.043  -2.043
  370    HA   PRO 230           HA       PRO 230  12.801   0.587   4.332
  371   1HB   PRO 230          2HB       PRO 230   9.996   0.561   5.377
  372   2HB   PRO 230          1HB       PRO 230  11.518   0.336   6.246
  373   1HG   PRO 230          2HG       PRO 230  10.209   2.660   6.353
  374   2HG   PRO 230          1HG       PRO 230  11.980   2.604   6.298
  375   1HD   PRO 230          2HD       PRO 230  10.048   3.391   4.190
  376   2HD   PRO 230          1HD       PRO 230  11.728   3.905   4.436
  377    H    SER 231           H        SER 231  12.992  -0.846   2.638
  378    HA   SER 231           HA       SER 231  11.019  -1.863   1.010
  379   1HB   SER 231          2HB       SER 231  13.025  -3.873   1.720
  380   2HB   SER 231          1HB       SER 231  12.682  -3.125   0.160
  381    HG   SER 231           HG       SER 231  14.790  -2.637   1.073
  382    H    TYR 232           H        TYR 232   9.997  -3.946   0.944
  383    HA   TYR 232           HA       TYR 232   8.630  -4.553   3.350
  384   1HB   TYR 232          2HB       TYR 232   7.571  -4.815   1.165
  385   2HB   TYR 232          1HB       TYR 232   8.743  -6.049   0.723
  386    HD1  TYR 232           1HD      TYR 232   7.829  -6.384   4.141
  387    HD2  TYR 232           2HD      TYR 232   6.495  -7.226   0.189
  388    HE1  TYR 232           1HE      TYR 232   6.332  -8.120   5.024
  389    HE2  TYR 232           2HE      TYR 232   4.992  -8.967   1.066
  390    HH   TYR 232           HH       TYR 232   5.130 -10.024   4.366
  391    H    ASP 233           H        ASP 233  10.612  -4.926   4.629
  392    HA   ASP 233           HA       ASP 233  10.972  -7.683   5.134
  393   1HB   ASP 233          2HB       ASP 233  12.418  -7.647   3.190
  394   2HB   ASP 233          1HB       ASP 233  13.279  -6.242   3.810
  395    H    GLU 234           H        GLU 234  12.287  -4.424   5.474
  396    HA   GLU 234           HA       GLU 234  12.992  -5.045   8.262
  397   1HB   GLU 234          2HB       GLU 234  14.362  -2.927   8.106
  398   2HB   GLU 234          1HB       GLU 234  14.914  -4.264   7.106
  399   1HG   GLU 234          2HG       GLU 234  13.956  -3.262   5.145
  400   2HG   GLU 234          1HG       GLU 234  13.224  -1.983   6.111
  401    H    ALA 235           H        ALA 235  10.339  -4.141   6.923
  402    HA   ALA 235           HA       ALA 235   9.886  -1.762   8.594
  403   1HB   ALA 235          1HB       ALA 235   7.841  -2.504   6.609
  404   2HB   ALA 235          2HB       ALA 235   9.399  -2.002   5.954
  405   3HB   ALA 235          3HB       ALA 235   8.504  -0.923   7.023
  406    H    LEU 236           H        LEU 236   8.557  -4.915   7.695
  407    HA   LEU 236           HA       LEU 236   6.255  -4.852   9.281
  408   1HB   LEU 236          2HB       LEU 236   7.414  -6.657   7.568
  409   2HB   LEU 236          1HB       LEU 236   7.572  -7.466   9.116
  410    HG   LEU 236           HG       LEU 236   4.986  -6.477   7.909
  411   1HD1  LEU 236          1HD1      LEU 236   6.260  -8.573   6.985
  412   2HD1  LEU 236          2HD1      LEU 236   4.518  -8.625   7.258
  413   3HD1  LEU 236          3HD1      LEU 236   5.617  -9.339   8.437
  414   1HD2  LEU 236          1HD2      LEU 236   5.722  -7.496  10.582
  415   2HD2  LEU 236          2HD2      LEU 236   4.246  -8.146   9.869
  416   3HD2  LEU 236          3HD2      LEU 236   4.423  -6.406  10.097
  417    H    HIS 237           H        HIS 237   6.204  -4.432  11.386
  418    HA   HIS 237           HA       HIS 237   8.323  -5.532  13.103
  419   1HB   HIS 237          2HB       HIS 237   6.966  -2.979  13.016
  420   2HB   HIS 237          1HB       HIS 237   6.787  -3.722  14.601
  421    HD1  HIS 237           1HD      HIS 237   8.330  -1.628  15.333
  422    HD2  HIS 237           2HD      HIS 237  10.165  -4.574  13.047
  423    HE1  HIS 237           1HE      HIS 237  10.802  -1.271  15.633
  424    HE2  HIS 237           2HE      HIS 237  11.891  -3.016  14.177
  Start of MODEL   20
    1   1H    GLY 521          1HT       GLY 521 -18.276   3.707   4.845
    2   2H    GLY 521          2HT       GLY 521 -16.886   4.505   4.305
    3   3H    GLY 521          3HT       GLY 521 -18.122   4.127   3.213
    4   1HA   GLY 521          2HA       GLY 521 -18.012   6.243   5.244
    5   2HA   GLY 521          1HA       GLY 521 -19.573   5.566   4.807
    6    HA   PRO 522           HA       PRO 522 -20.002   8.490   1.539
    7   1HB   PRO 522          2HB       PRO 522 -18.846  10.697   3.181
    8   2HB   PRO 522          1HB       PRO 522 -20.362  10.646   2.273
    9   1HG   PRO 522          2HG       PRO 522 -20.374  10.413   4.920
   10   2HG   PRO 522          1HG       PRO 522 -21.462   9.432   3.919
   11   1HD   PRO 522          2HD       PRO 522 -18.948   8.644   5.323
   12   2HD   PRO 522          1HD       PRO 522 -20.434   7.710   5.055
   13    H    LEU 523           H        LEU 523 -18.861   9.639  -0.099
   14    HA   LEU 523           HA       LEU 523 -16.275   8.751  -0.610
   15   1HB   LEU 523          2HB       LEU 523 -18.184  10.558  -1.839
   16   2HB   LEU 523          1HB       LEU 523 -16.536  11.118  -2.056
   17    HG   LEU 523           HG       LEU 523 -17.566   8.389  -2.839
   18   1HD1  LEU 523          1HD1      LEU 523 -17.331  10.965  -4.273
   19   2HD1  LEU 523          2HD1      LEU 523 -18.474   9.640  -4.493
   20   3HD1  LEU 523          3HD1      LEU 523 -16.840   9.513  -5.145
   21   1HD2  LEU 523          1HD2      LEU 523 -15.393   8.176  -3.975
   22   2HD2  LEU 523          2HD2      LEU 523 -15.223   8.319  -2.227
   23   3HD2  LEU 523          3HD2      LEU 523 -14.886   9.706  -3.261
   24    H    GLY 524           H        GLY 524 -14.885   9.140   1.107
   25   1HA   GLY 524          2HA       GLY 524 -13.720  11.795   1.135
   26   2HA   GLY 524          1HA       GLY 524 -14.454  11.299   2.651
   27    H    SER 525           H        SER 525 -13.521   9.612   3.850
   28    HA   SER 525           HA       SER 525 -11.192   8.229   2.931
   29   1HB   SER 525          2HB       SER 525 -10.178  10.419   3.395
   30   2HB   SER 525          1HB       SER 525 -10.824  10.377   5.035
   31    HG   SER 525           HG       SER 525  -9.062   9.361   5.526
   32    H    GLY 526           H        GLY 526 -12.217   6.372   3.610
   33   1HA   GLY 526          2HA       GLY 526 -12.028   5.827   6.448
   34   2HA   GLY 526          1HA       GLY 526 -13.665   5.797   5.810
   35    H    GLU 527           H        GLU 527 -13.763   4.474   3.640
   36    HA   GLU 527           HA       GLU 527 -12.761   1.829   4.317
   37   1HB   GLU 527          2HB       GLU 527 -15.024   2.908   2.846
   38   2HB   GLU 527          1HB       GLU 527 -14.217   1.627   1.952
   39   1HG   GLU 527          2HG       GLU 527 -15.637   0.340   3.134
   40   2HG   GLU 527          1HG       GLU 527 -14.348   0.440   4.332
   41    H    GLU 528           H        GLU 528 -13.176   3.305   1.113
   42    HA   GLU 528           HA       GLU 528 -11.776   3.497  -0.674
   43   1HB   GLU 528          2HB       GLU 528 -10.011   3.666   1.617
   44   2HB   GLU 528          1HB       GLU 528  -9.211   2.883   0.261
   45   1HG   GLU 528          2HG       GLU 528  -8.978   4.803  -0.825
   46   2HG   GLU 528          1HG       GLU 528 -10.670   5.234  -0.576
   47    H    GLU 529           H        GLU 529  -9.634   2.118  -1.569
   48    HA   GLU 529           HA       GLU 529 -10.734  -0.399  -2.225
   49   1HB   GLU 529          2HB       GLU 529  -8.104   0.943  -2.709
   50   2HB   GLU 529          1HB       GLU 529  -8.273  -0.770  -3.066
   51   1HG   GLU 529          2HG       GLU 529  -8.721   0.277  -5.086
   52   2HG   GLU 529          1HG       GLU 529 -10.318  -0.097  -4.439
   53    HA   PRO 530           HA       PRO 530  -9.080  -2.836   1.087
   54   1HB   PRO 530          2HB       PRO 530  -9.656  -5.272   0.179
   55   2HB   PRO 530          1HB       PRO 530 -10.942  -4.120   0.559
   56   1HG   PRO 530          2HG       PRO 530  -9.846  -4.931  -2.093
   57   2HG   PRO 530          1HG       PRO 530 -11.516  -4.559  -1.634
   58   1HD   PRO 530          2HD       PRO 530  -9.725  -2.815  -2.902
   59   2HD   PRO 530          1HD       PRO 530 -11.243  -2.354  -2.109
   60    H    LEU 531           H        LEU 531  -7.127  -1.984  -1.034
   61    HA   LEU 531           HA       LEU 531  -5.004  -2.462  -1.707
   62   1HB   LEU 531          2HB       LEU 531  -4.939  -4.591   0.412
   63   2HB   LEU 531          1HB       LEU 531  -3.615  -3.615  -0.192
   64    HG   LEU 531           HG       LEU 531  -5.913  -2.428   1.349
   65   1HD1  LEU 531          1HD1      LEU 531  -3.724  -4.078   2.305
   66   2HD1  LEU 531          2HD1      LEU 531  -5.164  -3.505   3.148
   67   3HD1  LEU 531          3HD1      LEU 531  -3.736  -2.475   3.040
   68   1HD2  LEU 531          1HD2      LEU 531  -3.168  -1.313   1.329
   69   2HD2  LEU 531          2HD2      LEU 531  -4.727  -0.491   1.368
   70   3HD2  LEU 531          3HD2      LEU 531  -4.118  -1.157  -0.148
   71    HA   PRO 532           HA       PRO 532  -6.156  -5.583  -4.783
   72   1HB   PRO 532          2HB       PRO 532  -3.264  -4.915  -5.306
   73   2HB   PRO 532          1HB       PRO 532  -4.560  -5.220  -6.472
   74   1HG   PRO 532          2HG       PRO 532  -3.933  -2.743  -5.953
   75   2HG   PRO 532          1HG       PRO 532  -5.644  -3.199  -5.972
   76   1HD   PRO 532          2HD       PRO 532  -3.857  -2.672  -3.640
   77   2HD   PRO 532          1HD       PRO 532  -5.574  -2.279  -3.851
   78    HA   PRO 533           HA       PRO 533  -4.926  -9.683  -3.822
   79   1HB   PRO 533          2HB       PRO 533  -2.898  -9.431  -5.998
   80   2HB   PRO 533          1HB       PRO 533  -3.953 -10.793  -5.605
   81   1HG   PRO 533          2HG       PRO 533  -4.553  -9.039  -7.559
   82   2HG   PRO 533          1HG       PRO 533  -5.801  -9.818  -6.571
   83   1HD   PRO 533          2HD       PRO 533  -4.956  -7.027  -6.622
   84   2HD   PRO 533          1HD       PRO 533  -6.400  -7.731  -5.888
   85    H    ARG 534           H        ARG 534  -1.921  -8.210  -4.881
   86    HA   ARG 534           HA       ARG 534  -0.724  -9.042  -2.320
   87   1HB   ARG 534          2HB       ARG 534   0.601  -8.789  -5.025
   88   2HB   ARG 534          1HB       ARG 534   1.417  -9.233  -3.533
   89   1HG   ARG 534          2HG       ARG 534  -0.889 -10.815  -4.617
   90   2HG   ARG 534          1HG       ARG 534   0.775 -11.112  -5.116
   91   1HD   ARG 534          2HD       ARG 534   0.236 -10.965  -2.207
   92   2HD   ARG 534          1HD       ARG 534  -0.369 -12.381  -3.066
   93    HE   ARG 534           HE       ARG 534   2.349 -11.875  -3.713
   94   1HH1  ARG 534          1HH1      ARG 534   0.292 -13.162  -1.214
   95   2HH1  ARG 534          2HH1      ARG 534   1.506 -14.219  -0.577
   96   1HH2  ARG 534          1HH2      ARG 534   3.959 -13.265  -2.880
   97   2HH2  ARG 534          2HH2      ARG 534   3.591 -14.277  -1.523
   98    H    TRP 535           H        TRP 535  -1.602  -6.881  -1.649
   99    HA   TRP 535           HA       TRP 535   0.550  -4.983  -1.708
  100   1HB   TRP 535          2HB       TRP 535  -2.062  -4.374  -3.073
  101   2HB   TRP 535          1HB       TRP 535  -0.981  -3.107  -2.491
  102    HD1  TRP 535           HD       TRP 535  -1.450  -5.520  -5.344
  103    HE1  TRP 535           1HE      TRP 535   0.437  -5.197  -7.056
  104    HE3  TRP 535           3HE      TRP 535   1.587  -2.495  -2.600
  105    HZ2  TRP 535           2HZ      TRP 535   2.914  -3.823  -7.211
  106    HZ3  TRP 535           3HZ      TRP 535   3.705  -1.717  -3.589
  107    HH2  TRP 535           HH       TRP 535   4.353  -2.371  -5.851
  108    H    SER 536           H        SER 536   0.341  -3.294  -0.176
  109    HA   SER 536           HA       SER 536  -1.964  -3.238   1.571
  110   1HB   SER 536          2HB       SER 536   0.647  -4.452   2.377
  111   2HB   SER 536          1HB       SER 536  -0.276  -3.555   3.573
  112    HG   SER 536           HG       SER 536  -0.629  -6.010   3.046
  113    H    MET 537           H        MET 537  -1.109  -1.826   3.647
  114    HA   MET 537           HA       MET 537   0.285   0.500   2.502
  115   1HB   MET 537          2HB       MET 537  -1.986   0.589   4.484
  116   2HB   MET 537          1HB       MET 537  -1.216   1.963   3.700
  117   1HG   MET 537          2HG       MET 537  -2.023   0.554   1.545
  118   2HG   MET 537          1HG       MET 537  -3.272   0.112   2.706
  119   1HE   MET 537          1HE       MET 537  -4.713   1.844   4.023
  120   2HE   MET 537          2HE       MET 537  -5.478   1.398   2.497
  121   3HE   MET 537          3HE       MET 537  -5.476   3.081   3.024
  122    H    GLN 538           H        GLN 538   1.565   1.731   3.939
  123    HA   GLN 538           HA       GLN 538   1.830   1.082   6.696
  124   1HB   GLN 538          2HB       GLN 538   2.928  -0.903   5.718
  125   2HB   GLN 538          1HB       GLN 538   4.052   0.149   4.872
  126   1HG   GLN 538          2HG       GLN 538   5.351  -0.302   6.648
  127   2HG   GLN 538          1HG       GLN 538   4.439   1.025   7.366
  128   1HE2  GLN 538          1HE2      GLN 538   5.755  -1.238   8.645
  129   2HE2  GLN 538          2HE2      GLN 538   4.530  -2.062   9.543
  130    H    VAL 539           H        VAL 539   2.986   2.611   7.799
  131    HA   VAL 539           HA       VAL 539   3.769   4.957   6.273
  132    HB   VAL 539           HB       VAL 539   2.390   5.183   8.328
  133   1HG1  VAL 539          1HG1      VAL 539   4.903   4.238   9.706
  134   2HG1  VAL 539          2HG1      VAL 539   3.339   3.422   9.678
  135   3HG1  VAL 539          3HG1      VAL 539   3.516   4.960  10.521
  136   1HG2  VAL 539          1HG2      VAL 539   4.848   6.595   9.104
  137   2HG2  VAL 539          2HG2      VAL 539   3.245   7.225   8.729
  138   3HG2  VAL 539          3HG2      VAL 539   4.357   6.815   7.424
  139    H    ALA 540           H        ALA 540   5.813   5.716   6.035
  140    HA   ALA 540           HA       ALA 540   7.973   4.022   7.100
  141   1HB   ALA 540          1HB       ALA 540   7.502   5.248   4.499
  142   2HB   ALA 540          2HB       ALA 540   8.542   3.894   4.945
  143   3HB   ALA 540          3HB       ALA 540   9.123   5.549   5.128
  144    HA   PRO 541           HA       PRO 541   9.675   7.257   9.546
  145   1HB   PRO 541          2HB       PRO 541  12.342   6.708   8.401
  146   2HB   PRO 541          1HB       PRO 541  11.792   6.586  10.073
  147   1HG   PRO 541          2HG       PRO 541  12.286   4.403   8.600
  148   2HG   PRO 541          1HG       PRO 541  10.972   4.446   9.790
  149   1HD   PRO 541          2HD       PRO 541  10.841   4.685   6.810
  150   2HD   PRO 541          1HD       PRO 541   9.746   3.840   7.923
  151    H    ASN 542           H        ASN 542  10.603   7.117   6.163
  152    HA   ASN 542           HA       ASN 542  11.872   9.520   5.784
  153   1HB   ASN 542          2HB       ASN 542  11.621   7.928   3.979
  154   2HB   ASN 542          1HB       ASN 542   9.873   8.140   3.981
  155   1HD2  ASN 542          1HD2      ASN 542  10.074   8.639   1.742
  156   2HD2  ASN 542          2HD2      ASN 542  10.556  10.221   1.241
  157    H    GLY 543           H        GLY 543   8.445   8.924   6.262
  158   1HA   GLY 543          2HA       GLY 543   7.330  10.841   7.426
  159   2HA   GLY 543          1HA       GLY 543   8.000  11.843   6.150
  160    H    ARG 544           H        ARG 544   7.214   9.082   4.592
  161    HA   ARG 544           HA       ARG 544   4.414   9.871   4.201
  162   1HB   ARG 544          2HB       ARG 544   4.586   9.948   1.880
  163   2HB   ARG 544          1HB       ARG 544   6.078  10.711   2.405
  164   1HG   ARG 544          2HG       ARG 544   7.256   8.567   2.041
  165   2HG   ARG 544          1HG       ARG 544   5.747   7.886   1.432
  166   1HD   ARG 544          2HD       ARG 544   6.052   8.800  -0.572
  167   2HD   ARG 544          1HD       ARG 544   6.362  10.388   0.133
  168    HE   ARG 544           HE       ARG 544   8.621   8.715   0.445
  169   1HH1  ARG 544          1HH1      ARG 544   6.873  10.534  -1.956
  170   2HH1  ARG 544          2HH1      ARG 544   8.264  10.804  -2.953
  171   1HH2  ARG 544          1HH2      ARG 544  10.459   9.063  -0.857
  172   2HH2  ARG 544          2HH2      ARG 544  10.305   9.966  -2.328
  173    H    THR 545           H        THR 545   3.002   8.228   3.451
  174    HA   THR 545           HA       THR 545   3.708   5.618   4.441
  175    HB   THR 545           HB       THR 545   1.324   5.134   3.365
  176    HG1  THR 545           1HG      THR 545   0.066   7.059   3.440
  177   1HG2  THR 545          1HG2      THR 545   1.778   6.729   5.893
  178   2HG2  THR 545          2HG2      THR 545   1.824   4.973   5.738
  179   3HG2  THR 545          3HG2      THR 545   0.306   5.839   5.504
  180    H    PHE 546           H        PHE 546   3.805   3.705   3.272
  181    HA   PHE 546           HA       PHE 546   3.962   3.985   0.347
  182   1HB   PHE 546          2HB       PHE 546   5.839   2.349   0.403
  183   2HB   PHE 546          1HB       PHE 546   6.231   3.888   1.151
  184    HD1  PHE 546           1HD      PHE 546   6.158   4.052   3.672
  185    HD2  PHE 546           2HD      PHE 546   6.019   0.348   1.578
  186    HE1  PHE 546           1HE      PHE 546   6.832   2.864   5.721
  187    HE2  PHE 546           2HE      PHE 546   6.693  -0.842   3.622
  188    HZ   PHE 546           HZ       PHE 546   7.100   0.418   5.698
  189    H    PHE 547           H        PHE 547   3.935   1.793  -0.745
  190    HA   PHE 547           HA       PHE 547   1.882   0.145   0.558
  191   1HB   PHE 547          2HB       PHE 547   2.336   1.020  -2.176
  192   2HB   PHE 547          1HB       PHE 547   2.098  -0.719  -2.078
  193    HD1  PHE 547           1HD      PHE 547   0.618   2.235  -0.338
  194    HD2  PHE 547           2HD      PHE 547  -0.058  -1.317  -2.581
  195    HE1  PHE 547           1HE      PHE 547  -1.809   2.583  -0.148
  196    HE2  PHE 547           2HE      PHE 547  -2.489  -0.973  -2.398
  197    HZ   PHE 547           HZ       PHE 547  -3.367   0.978  -1.180
  198    H    ILE 548           H        ILE 548   2.055  -2.133   0.546
  199    HA   ILE 548           HA       ILE 548   4.840  -3.055   0.417
  200    HB   ILE 548           HB       ILE 548   2.535  -4.270   1.930
  201   1HG1  ILE 548          2HG1      ILE 548   4.682  -2.303   2.674
  202   2HG1  ILE 548          1HG1      ILE 548   2.957  -2.235   3.011
  203   1HG2  ILE 548          1HG2      ILE 548   4.125  -5.958   1.400
  204   2HG2  ILE 548          2HG2      ILE 548   4.393  -5.508   3.084
  205   3HG2  ILE 548          3HG2      ILE 548   5.476  -4.909   1.828
  206   1HD1  ILE 548          1HD1      ILE 548   4.206  -2.638   5.039
  207   2HD1  ILE 548          2HD1      ILE 548   4.946  -4.072   4.326
  208   3HD1  ILE 548          3HD1      ILE 548   3.212  -4.041   4.647
  209    H    ASP 549           H        ASP 549   5.280  -4.064  -1.420
  210    HA   ASP 549           HA       ASP 549   3.250  -5.514  -2.880
  211   1HB   ASP 549          2HB       ASP 549   4.848  -4.205  -4.145
  212   2HB   ASP 549          1HB       ASP 549   6.194  -5.067  -3.408
  213    H    HIS 550           H        HIS 550   2.687  -7.442  -2.058
  214    HA   HIS 550           HA       HIS 550   4.525  -9.124  -0.647
  215   1HB   HIS 550          2HB       HIS 550   1.728  -9.658  -1.670
  216   2HB   HIS 550          1HB       HIS 550   2.639 -10.755  -0.640
  217    HD2  HIS 550           2HD      HIS 550   1.565  -6.957  -0.311
  218    HE1  HIS 550           1HE      HIS 550   1.090  -8.964   3.385
  219    HE2  HIS 550           2HE      HIS 550   0.976  -6.722   2.205
  220    H    ALA 551           H        ALA 551   3.481  -8.809  -3.934
  221    HA   ALA 551           HA       ALA 551   3.959 -11.331  -4.966
  222   1HB   ALA 551          1HB       ALA 551   3.553 -10.336  -6.918
  223   2HB   ALA 551          2HB       ALA 551   4.934  -9.254  -6.738
  224   3HB   ALA 551          3HB       ALA 551   3.384  -8.833  -6.010
  225    H    SER 552           H        SER 552   6.232  -8.818  -4.070
  226    HA   SER 552           HA       SER 552   8.418 -10.734  -4.452
  227   1HB   SER 552          2HB       SER 552   8.005  -8.448  -6.056
  228   2HB   SER 552          1HB       SER 552   9.359  -8.073  -4.994
  229    HG   SER 552           HG       SER 552   9.127 -10.037  -6.968
  230    H    ARG 553           H        ARG 553   6.819  -9.446  -2.160
  231    HA   ARG 553           HA       ARG 553   7.189  -8.583  -0.086
  232   1HB   ARG 553          2HB       ARG 553   9.597 -10.264  -0.659
  233   2HB   ARG 553          1HB       ARG 553   9.541  -9.328   0.827
  234   1HG   ARG 553          2HG       ARG 553   8.774 -11.616   1.170
  235   2HG   ARG 553          1HG       ARG 553   7.490 -10.447   1.482
  236   1HD   ARG 553          2HD       ARG 553   6.511 -10.889  -0.684
  237   2HD   ARG 553          1HD       ARG 553   7.838 -11.976  -1.092
  238    HE   ARG 553           HE       ARG 553   6.429 -12.742   1.287
  239   1HH1  ARG 553          1HH1      ARG 553   6.461 -12.925  -2.189
  240   2HH1  ARG 553          2HH1      ARG 553   5.542 -14.392  -2.251
  241   1HH2  ARG 553          1HH2      ARG 553   5.216 -14.673   1.218
  242   2HH2  ARG 553          2HH2      ARG 553   4.834 -15.385  -0.314
  243    H    ARG 554           H        ARG 554   7.489  -6.616  -1.887
  244    HA   ARG 554           HA       ARG 554   9.800  -5.110  -0.859
  245   1HB   ARG 554          2HB       ARG 554   8.691  -5.151  -3.664
  246   2HB   ARG 554          1HB       ARG 554   9.788  -3.906  -3.084
  247   1HG   ARG 554          2HG       ARG 554  11.426  -5.713  -2.542
  248   2HG   ARG 554          1HG       ARG 554  10.346  -6.848  -3.353
  249   1HD   ARG 554          2HD       ARG 554  11.308  -6.318  -5.283
  250   2HD   ARG 554          1HD       ARG 554  10.669  -4.683  -5.111
  251    HE   ARG 554           HE       ARG 554  12.956  -4.715  -3.601
  252   1HH1  ARG 554          1HH1      ARG 554  12.161  -5.373  -6.927
  253   2HH1  ARG 554          2HH1      ARG 554  13.703  -4.864  -7.531
  254   1HH2  ARG 554          1HH2      ARG 554  14.988  -4.042  -4.385
  255   2HH2  ARG 554          2HH2      ARG 554  15.310  -4.108  -6.086
  256    H    THR 555           H        THR 555   9.362  -2.644  -1.648
  257    HA   THR 555           HA       THR 555   6.591  -1.958  -0.959
  258    HB   THR 555           HB       THR 555   7.528  -0.049   0.433
  259    HG1  THR 555           1HG      THR 555   9.754  -0.526  -0.423
  260   1HG2  THR 555          1HG2      THR 555   7.731  -2.929   1.257
  261   2HG2  THR 555          2HG2      THR 555   6.470  -1.756   1.639
  262   3HG2  THR 555          3HG2      THR 555   8.058  -1.621   2.395
  263    H    THR 556           H        THR 556   6.230   0.481  -1.294
  264    HA   THR 556           HA       THR 556   7.920   1.849  -3.143
  265    HB   THR 556           HB       THR 556   7.120   0.522  -4.880
  266    HG1  THR 556           1HG      THR 556   6.323   2.108  -6.041
  267   1HG2  THR 556          1HG2      THR 556   4.458   0.596  -3.474
  268   2HG2  THR 556          2HG2      THR 556   5.483  -0.803  -3.793
  269   3HG2  THR 556          3HG2      THR 556   4.652   0.004  -5.123
  270    H    TRP 557           H        TRP 557   7.075   3.949  -3.753
  271    HA   TRP 557           HA       TRP 557   5.454   5.085  -1.643
  272   1HB   TRP 557          2HB       TRP 557   6.875   6.320  -3.996
  273   2HB   TRP 557          1HB       TRP 557   5.982   7.246  -2.801
  274    HD1  TRP 557           HD       TRP 557   9.356   6.750  -3.559
  275    HE1  TRP 557           1HE      TRP 557  10.886   6.757  -1.490
  276    HE3  TRP 557           3HE      TRP 557   5.830   5.967   0.037
  277    HZ2  TRP 557           2HZ      TRP 557  10.624   6.470   1.309
  278    HZ3  TRP 557           3HZ      TRP 557   6.545   5.846   2.392
  279    HH2  TRP 557           HH       TRP 557   8.893   6.092   3.013
  280    H    ILE 558           H        ILE 558   4.423   3.426  -4.148
  281    HA   ILE 558           HA       ILE 558   2.171   5.249  -4.637
  282    HB   ILE 558           HB       ILE 558   3.290   3.439  -6.764
  283   1HG1  ILE 558          2HG1      ILE 558   4.894   5.270  -5.936
  284   2HG1  ILE 558          1HG1      ILE 558   4.547   5.225  -7.664
  285   1HG2  ILE 558          1HG2      ILE 558   1.412   5.794  -6.895
  286   2HG2  ILE 558          2HG2      ILE 558   0.950   4.096  -7.006
  287   3HG2  ILE 558          3HG2      ILE 558   1.952   4.820  -8.262
  288   1HD1  ILE 558          1HD1      ILE 558   4.570   7.500  -6.732
  289   2HD1  ILE 558          2HD1      ILE 558   3.217   7.064  -5.687
  290   3HD1  ILE 558          3HD1      ILE 558   3.012   7.068  -7.440
  291    H    ASP 559           H        ASP 559   0.179   4.221  -5.226
  292    HA   ASP 559           HA       ASP 559  -0.001   1.462  -4.225
  293   1HB   ASP 559          2HB       ASP 559  -2.355   2.039  -3.622
  294   2HB   ASP 559          1HB       ASP 559  -1.149   2.979  -2.748
  295    HA   PRO 560           HA       PRO 560  -1.440   0.432  -8.311
  296   1HB   PRO 560          2HB       PRO 560  -2.334  -2.078  -7.783
  297   2HB   PRO 560          1HB       PRO 560  -0.623  -1.674  -7.955
  298   1HG   PRO 560          2HG       PRO 560  -2.217  -2.132  -5.480
  299   2HG   PRO 560          1HG       PRO 560  -0.550  -2.566  -5.838
  300   1HD   PRO 560          2HD       PRO 560  -1.290  -0.409  -4.318
  301   2HD   PRO 560          1HD       PRO 560   0.249  -0.534  -5.190
  302    H    ARG 561           H        ARG 561  -3.387   0.989  -5.636
  303    HA   ARG 561           HA       ARG 561  -5.888   0.127  -6.783
  304   1HB   ARG 561          2HB       ARG 561  -5.951   2.110  -4.593
  305   2HB   ARG 561          1HB       ARG 561  -6.823   0.594  -4.764
  306   1HG   ARG 561          2HG       ARG 561  -4.690  -0.588  -4.174
  307   2HG   ARG 561          1HG       ARG 561  -4.002   0.990  -3.797
  308   1HD   ARG 561          2HD       ARG 561  -6.450  -0.213  -2.513
  309   2HD   ARG 561          1HD       ARG 561  -4.843  -0.141  -1.792
  310    HE   ARG 561           HE       ARG 561  -5.676   2.449  -2.529
  311   1HH1  ARG 561          1HH1      ARG 561  -6.318  -0.042  -0.180
  312   2HH1  ARG 561          2HH1      ARG 561  -6.839   1.068   1.044
  313   1HH2  ARG 561          1HH2      ARG 561  -6.359   3.916  -0.926
  314   2HH2  ARG 561          2HH2      ARG 561  -6.862   3.318   0.619
  315    H    ASN 562           H        ASN 562  -4.033   3.078  -6.503
  316    HA   ASN 562           HA       ASN 562  -5.941   4.394  -8.315
  317   1HB   ASN 562          2HB       ASN 562  -4.389   5.984  -6.300
  318   2HB   ASN 562          1HB       ASN 562  -5.882   6.404  -7.133
  319   1HD2  ASN 562          1HD2      ASN 562  -4.486   5.045  -4.354
  320   2HD2  ASN 562          2HD2      ASN 562  -5.946   4.582  -3.556
  321    H    GLY 563           H        GLY 563  -2.626   4.293  -7.075
  322   1HA   GLY 563          2HA       GLY 563  -0.743   4.178  -8.540
  323   2HA   GLY 563          1HA       GLY 563  -1.681   5.025  -9.760
  324    H    ARG 564           H        ARG 564  -1.786   6.155  -6.500
  325    HA   ARG 564           HA       ARG 564   0.059   8.345  -7.195
  326   1HB   ARG 564          2HB       ARG 564  -2.600   8.493  -5.773
  327   2HB   ARG 564          1HB       ARG 564  -1.427   9.803  -5.756
  328   1HG   ARG 564          2HG       ARG 564  -1.907  10.435  -7.858
  329   2HG   ARG 564          1HG       ARG 564  -2.116   8.776  -8.422
  330   1HD   ARG 564          2HD       ARG 564  -4.327   8.901  -8.201
  331   2HD   ARG 564          1HD       ARG 564  -4.189   9.506  -6.552
  332    HE   ARG 564           HE       ARG 564  -3.646  11.505  -8.536
  333   1HH1  ARG 564          1HH1      ARG 564  -6.154   9.873  -6.753
  334   2HH1  ARG 564          2HH1      ARG 564  -7.288  11.175  -6.902
  335   1HH2  ARG 564          1HH2      ARG 564  -5.133  13.223  -8.744
  336   2HH2  ARG 564          2HH2      ARG 564  -6.708  13.079  -8.036
  337    H    ALA 565           H        ALA 565   0.709   9.587  -5.135
  338    HA   ALA 565           HA       ALA 565   2.174   7.894  -3.481
  339   1HB   ALA 565          1HB       ALA 565   1.744  10.715  -3.739
  340   2HB   ALA 565          2HB       ALA 565   3.128   9.855  -3.066
  341   3HB   ALA 565          3HB       ALA 565   1.757  10.266  -2.034
  342    H    SER 566           H        SER 566   1.081   6.312  -2.419
  343    HA   SER 566           HA       SER 566  -0.140   5.323  -0.774
  344   1HB   SER 566          2HB       SER 566   0.939   7.331   0.505
  345   2HB   SER 566          1HB       SER 566  -0.695   7.992   0.481
  346    HG   SER 566           HG       SER 566  -1.398   6.077   1.517
  347   1H    THR 227          1HT       THR 227  14.044   6.196  -1.387
  348   2H    THR 227          2HT       THR 227  14.770   7.147  -2.583
  349   3H    THR 227          3HT       THR 227  13.145   7.391  -2.179
  350    HA   THR 227           HA       THR 227  15.559   8.073  -0.637
  351    HB   THR 227           HB       THR 227  14.251  10.230  -0.355
  352    HG1  THR 227           1HG      THR 227  12.280  10.218  -1.102
  353   1HG2  THR 227          1HG2      THR 227  16.091  10.067  -1.939
  354   2HG2  THR 227          2HG2      THR 227  14.789  11.040  -2.623
  355   3HG2  THR 227          3HG2      THR 227  15.012   9.373  -3.151
  356    H    GLY 228           H        GLY 228  14.912   6.201   0.810
  357   1HA   GLY 228          2HA       GLY 228  14.403   5.992   3.119
  358   2HA   GLY 228          1HA       GLY 228  13.223   7.282   2.950
  359    H    LEU 229           H        LEU 229  13.271   4.752   0.595
  360    HA   LEU 229           HA       LEU 229  10.663   3.858   1.554
  361   1HB   LEU 229          2HB       LEU 229  10.702   4.473  -0.751
  362   2HB   LEU 229          1HB       LEU 229  12.118   3.483  -1.054
  363    HG   LEU 229           HG       LEU 229  10.486   1.536  -0.277
  364   1HD1  LEU 229          1HD1      LEU 229   8.462   3.152  -1.703
  365   2HD1  LEU 229          2HD1      LEU 229   8.732   3.522   0.000
  366   3HD1  LEU 229          3HD1      LEU 229   8.259   1.892  -0.485
  367   1HD2  LEU 229          1HD2      LEU 229  10.364   0.929  -2.480
  368   2HD2  LEU 229          2HD2      LEU 229  11.642   2.141  -2.559
  369   3HD2  LEU 229          3HD2      LEU 229   9.995   2.564  -3.025
  370    HA   PRO 230           HA       PRO 230  12.848   0.346   3.409
  371   1HB   PRO 230          2HB       PRO 230  10.044  -0.505   3.893
  372   2HB   PRO 230          1HB       PRO 230  11.386  -0.355   5.032
  373   1HG   PRO 230          2HG       PRO 230   9.404   1.425   5.027
  374   2HG   PRO 230          1HG       PRO 230  11.084   1.932   5.291
  375   1HD   PRO 230          2HD       PRO 230   9.405   2.144   2.821
  376   2HD   PRO 230          1HD       PRO 230  10.553   3.313   3.507
  377    H    SER 231           H        SER 231  11.282  -2.121   3.392
  378    HA   SER 231           HA       SER 231  10.506  -2.746   0.734
  379   1HB   SER 231          2HB       SER 231  13.065  -2.533   0.597
  380   2HB   SER 231          1HB       SER 231  13.115  -4.026   1.533
  381    HG   SER 231           HG       SER 231  12.019  -5.067  -0.116
  382    H    TYR 232           H        TYR 232   9.113  -3.191   2.945
  383    HA   TYR 232           HA       TYR 232   7.897  -4.817   3.984
  384   1HB   TYR 232          2HB       TYR 232   8.329  -5.908   1.653
  385   2HB   TYR 232          1HB       TYR 232   9.445  -6.942   2.539
  386    HD1  TYR 232           1HD      TYR 232   6.376  -7.005   1.166
  387    HD2  TYR 232           2HD      TYR 232   8.176  -7.642   4.967
  388    HE1  TYR 232           1HE      TYR 232   4.503  -8.465   1.801
  389    HE2  TYR 232           2HE      TYR 232   6.307  -9.105   5.613
  390    HH   TYR 232           HH       TYR 232   4.011 -10.255   3.363
  391    H    ASP 233           H        ASP 233  11.109  -6.309   3.509
  392    HA   ASP 233           HA       ASP 233  11.204  -7.475   6.068
  393   1HB   ASP 233          2HB       ASP 233  12.657  -7.838   3.864
  394   2HB   ASP 233          1HB       ASP 233  13.749  -6.739   4.702
  395    H    GLU 234           H        GLU 234  12.234  -4.349   4.858
  396    HA   GLU 234           HA       GLU 234  13.396  -3.655   7.448
  397   1HB   GLU 234          2HB       GLU 234  13.254  -1.875   5.022
  398   2HB   GLU 234          1HB       GLU 234  14.357  -1.765   6.386
  399   1HG   GLU 234          2HG       GLU 234  14.338  -4.007   4.379
  400   2HG   GLU 234          1HG       GLU 234  15.412  -2.610   4.321
  401    H    ALA 235           H        ALA 235  10.540  -4.070   7.178
  402    HA   ALA 235           HA       ALA 235   9.609  -1.834   8.614
  403   1HB   ALA 235          1HB       ALA 235   9.683  -0.740   6.427
  404   2HB   ALA 235          2HB       ALA 235   8.028  -0.892   7.018
  405   3HB   ALA 235          3HB       ALA 235   8.622  -1.986   5.768
  406    H    LEU 236           H        LEU 236   8.931  -3.541   9.951
  407    HA   LEU 236           HA       LEU 236   6.343  -4.643   9.207
  408   1HB   LEU 236          2HB       LEU 236   8.548  -6.203   8.836
  409   2HB   LEU 236          1HB       LEU 236   8.093  -6.633  10.474
  410    HG   LEU 236           HG       LEU 236   5.687  -6.799   9.226
  411   1HD1  LEU 236          1HD1      LEU 236   6.737  -6.330   7.040
  412   2HD1  LEU 236          2HD1      LEU 236   5.965  -7.913   7.109
  413   3HD1  LEU 236          3HD1      LEU 236   7.720  -7.781   7.231
  414   1HD2  LEU 236          1HD2      LEU 236   6.179  -9.268   9.130
  415   2HD2  LEU 236          2HD2      LEU 236   6.473  -8.487  10.683
  416   3HD2  LEU 236          3HD2      LEU 236   7.826  -8.874   9.621
  417    H    HIS 237           H        HIS 237   6.962  -2.617  11.020
  418    HA   HIS 237           HA       HIS 237   6.381  -3.935  13.593
  419   1HB   HIS 237          2HB       HIS 237   7.874  -1.341  13.149
  420   2HB   HIS 237          1HB       HIS 237   7.480  -2.040  14.716
  421    HD1  HIS 237           1HD      HIS 237   9.135  -3.641  15.676
  422    HD2  HIS 237           2HD      HIS 237   9.756  -2.971  11.623
  423    HE1  HIS 237           1HE      HIS 237  11.295  -4.807  15.125
  424    HE2  HIS 237           2HE      HIS 237  11.616  -4.446  12.653
  Start of MODEL   21
    1   1H    GLY 521          1HT       GLY 521  -5.474  13.240   0.775
    2   2H    GLY 521          2HT       GLY 521  -4.283  14.242   1.438
    3   3H    GLY 521          3HT       GLY 521  -5.180  14.765   0.103
    4   1HA   GLY 521          1HA       GLY 521  -5.782  15.654   2.430
    5   2HA   GLY 521          2HA       GLY 521  -7.060  15.194   1.316
    6    HA   PRO 522           HA       PRO 522  -8.025  12.986   5.220
    7   1HB   PRO 522          2HB       PRO 522 -10.716  13.050   4.882
    8   2HB   PRO 522          1HB       PRO 522  -9.804  14.396   5.572
    9   1HG   PRO 522          2HG       PRO 522 -10.825  14.031   2.783
   10   2HG   PRO 522          1HG       PRO 522 -10.845  15.483   3.801
   11   1HD   PRO 522          2HD       PRO 522  -9.010  15.087   1.842
   12   2HD   PRO 522          1HD       PRO 522  -8.653  16.002   3.322
   13    H    LEU 523           H        LEU 523  -8.955  10.912   5.597
   14    HA   LEU 523           HA       LEU 523  -8.546   9.058   3.513
   15   1HB   LEU 523          2HB       LEU 523  -8.864   8.956   6.274
   16   2HB   LEU 523          1HB       LEU 523 -10.236   8.059   5.653
   17    HG   LEU 523           HG       LEU 523  -8.495   6.777   4.238
   18   1HD1  LEU 523          1HD1      LEU 523  -6.698   7.904   6.380
   19   2HD1  LEU 523          2HD1      LEU 523  -6.634   8.313   4.666
   20   3HD1  LEU 523          3HD1      LEU 523  -6.267   6.671   5.194
   21   1HD2  LEU 523          1HD2      LEU 523  -7.978   6.031   7.010
   22   2HD2  LEU 523          2HD2      LEU 523  -8.769   5.126   5.720
   23   3HD2  LEU 523          3HD2      LEU 523  -9.686   6.301   6.663
   24    H    GLY 524           H        GLY 524 -11.388  10.710   4.696
   25   1HA   GLY 524          2HA       GLY 524 -13.266  11.070   3.257
   26   2HA   GLY 524          1HA       GLY 524 -12.908   9.543   2.465
   27    H    SER 525           H        SER 525 -12.497   8.261   5.150
   28    HA   SER 525           HA       SER 525 -13.694   7.140   6.732
   29   1HB   SER 525          2HB       SER 525 -16.117   8.843   6.336
   30   2HB   SER 525          1HB       SER 525 -15.413   8.223   7.829
   31    HG   SER 525           HG       SER 525 -14.808  10.523   6.392
   32    H    GLY 526           H        GLY 526 -13.874   6.627   3.800
   33   1HA   GLY 526          2HA       GLY 526 -16.426   5.136   3.819
   34   2HA   GLY 526          1HA       GLY 526 -15.738   5.838   2.363
   35    H    GLU 527           H        GLU 527 -13.941   4.847   1.383
   36    HA   GLU 527           HA       GLU 527 -12.806   2.451   2.498
   37   1HB   GLU 527          2HB       GLU 527 -13.509   1.119   0.398
   38   2HB   GLU 527          1HB       GLU 527 -14.673   1.306   1.703
   39   1HG   GLU 527          2HG       GLU 527 -14.949   3.488  -0.114
   40   2HG   GLU 527          1HG       GLU 527 -14.974   1.972  -1.014
   41    H    GLU 528           H        GLU 528 -13.269   4.432  -0.405
   42    HA   GLU 528           HA       GLU 528 -11.762   5.302  -1.876
   43   1HB   GLU 528          2HB       GLU 528 -10.304   5.058   0.484
   44   2HB   GLU 528          1HB       GLU 528  -9.296   4.292  -0.735
   45   1HG   GLU 528          2HG       GLU 528  -9.762   6.431  -2.113
   46   2HG   GLU 528          1HG       GLU 528 -10.227   7.123  -0.560
   47    H    GLU 529           H        GLU 529  -9.977   2.467  -0.771
   48    HA   GLU 529           HA       GLU 529 -10.711   0.733  -2.838
   49   1HB   GLU 529          2HB       GLU 529  -9.374   2.612  -4.060
   50   2HB   GLU 529          1HB       GLU 529  -7.965   1.814  -3.374
   51   1HG   GLU 529          2HG       GLU 529  -8.440   1.086  -5.663
   52   2HG   GLU 529          1HG       GLU 529  -8.522  -0.239  -4.503
   53    HA   PRO 530           HA       PRO 530  -8.398  -1.709   0.093
   54   1HB   PRO 530          2HB       PRO 530  -9.137  -4.133  -0.744
   55   2HB   PRO 530          1HB       PRO 530 -10.300  -3.036   0.012
   56   1HG   PRO 530          2HG       PRO 530  -9.903  -3.677  -2.878
   57   2HG   PRO 530          1HG       PRO 530 -11.411  -3.433  -1.981
   58   1HD   PRO 530          2HD       PRO 530 -10.167  -1.523  -3.564
   59   2HD   PRO 530          1HD       PRO 530 -11.351  -1.178  -2.289
   60    H    LEU 531           H        LEU 531  -6.357  -2.482   0.151
   61    HA   LEU 531           HA       LEU 531  -4.644  -2.376  -2.023
   62   1HB   LEU 531          2HB       LEU 531  -4.277  -4.159   0.381
   63   2HB   LEU 531          1HB       LEU 531  -3.019  -3.504  -0.649
   64    HG   LEU 531           HG       LEU 531  -4.752  -1.516   0.686
   65   1HD1  LEU 531          1HD1      LEU 531  -3.572  -3.633   2.188
   66   2HD1  LEU 531          2HD1      LEU 531  -4.466  -2.225   2.764
   67   3HD1  LEU 531          3HD1      LEU 531  -2.718  -2.130   2.540
   68   1HD2  LEU 531          1HD2      LEU 531  -1.930  -1.199   1.037
   69   2HD2  LEU 531          2HD2      LEU 531  -3.057  -0.206   0.113
   70   3HD2  LEU 531          3HD2      LEU 531  -2.279  -1.596  -0.645
   71    HA   PRO 532           HA       PRO 532  -5.625  -5.871  -4.556
   72   1HB   PRO 532          2HB       PRO 532  -2.667  -5.960  -4.917
   73   2HB   PRO 532          1HB       PRO 532  -3.952  -5.991  -6.129
   74   1HG   PRO 532          2HG       PRO 532  -2.586  -3.774  -5.727
   75   2HG   PRO 532          1HG       PRO 532  -4.339  -3.707  -5.970
   76   1HD   PRO 532          2HD       PRO 532  -2.770  -3.434  -3.441
   77   2HD   PRO 532          1HD       PRO 532  -4.241  -2.586  -3.952
   78    HA   PRO 533           HA       PRO 533  -4.931  -9.808  -2.789
   79   1HB   PRO 533          2HB       PRO 533  -3.086 -10.668  -4.922
   80   2HB   PRO 533          1HB       PRO 533  -4.588 -11.402  -4.366
   81   1HG   PRO 533          2HG       PRO 533  -4.423 -10.035  -6.679
   82   2HG   PRO 533          1HG       PRO 533  -5.895 -10.052  -5.691
   83   1HD   PRO 533          2HD       PRO 533  -3.890  -7.907  -6.070
   84   2HD   PRO 533          1HD       PRO 533  -5.617  -7.788  -5.695
   85    H    ARG 534           H        ARG 534  -1.975  -8.311  -3.858
   86    HA   ARG 534           HA       ARG 534  -0.640  -9.558  -1.553
   87   1HB   ARG 534          2HB       ARG 534   0.427  -9.317  -4.361
   88   2HB   ARG 534          1HB       ARG 534   1.442  -9.684  -2.972
   89   1HG   ARG 534          2HG       ARG 534  -0.967 -11.345  -3.595
   90   2HG   ARG 534          1HG       ARG 534   0.571 -11.622  -4.414
   91   1HD   ARG 534          2HD       ARG 534   0.670 -11.382  -1.471
   92   2HD   ARG 534          1HD       ARG 534  -0.122 -12.820  -2.112
   93    HE   ARG 534           HE       ARG 534   2.679 -12.235  -2.144
   94   1HH1  ARG 534          1HH1      ARG 534   0.122 -13.929  -3.793
   95   2HH1  ARG 534          2HH1      ARG 534   1.180 -15.107  -4.496
   96   1HH2  ARG 534          1HH2      ARG 534   4.081 -13.781  -3.066
   97   2HH2  ARG 534          2HH2      ARG 534   3.429 -15.022  -4.085
   98    H    TRP 535           H        TRP 535  -1.616  -7.141  -1.146
   99    HA   TRP 535           HA       TRP 535   0.808  -5.536  -1.029
  100   1HB   TRP 535          2HB       TRP 535  -1.772  -4.591  -2.255
  101   2HB   TRP 535          1HB       TRP 535  -0.489  -3.498  -1.734
  102    HD1  TRP 535           HD       TRP 535  -0.973  -6.457  -4.188
  103    HE1  TRP 535           1HE      TRP 535   0.611  -6.101  -6.179
  104    HE3  TRP 535           3HE      TRP 535   1.452  -2.285  -2.527
  105    HZ2  TRP 535           2HZ      TRP 535   2.645  -4.272  -6.935
  106    HZ3  TRP 535           3HZ      TRP 535   3.209  -1.295  -3.936
  107    HH2  TRP 535           HH       TRP 535   3.792  -2.271  -6.096
  108    H    SER 536           H        SER 536   0.660  -3.693   0.412
  109    HA   SER 536           HA       SER 536  -1.497  -3.694   2.354
  110   1HB   SER 536          2HB       SER 536   1.212  -4.775   2.884
  111   2HB   SER 536          1HB       SER 536   0.541  -3.728   4.123
  112    HG   SER 536           HG       SER 536   0.073  -6.199   3.980
  113    H    MET 537           H        MET 537  -0.459  -2.113   4.278
  114    HA   MET 537           HA       MET 537   0.718   0.193   2.896
  115   1HB   MET 537          2HB       MET 537  -1.741   0.202   4.643
  116   2HB   MET 537          1HB       MET 537  -0.860   1.659   4.200
  117   1HG   MET 537          2HG       MET 537  -1.239   0.757   1.765
  118   2HG   MET 537          1HG       MET 537  -2.565  -0.114   2.532
  119   1HE   MET 537          1HE       MET 537  -5.051   2.326   3.622
  120   2HE   MET 537          2HE       MET 537  -3.713   2.432   4.767
  121   3HE   MET 537          3HE       MET 537  -4.147   0.876   4.058
  122    H    GLN 538           H        GLN 538   1.949   1.576   4.201
  123    HA   GLN 538           HA       GLN 538   2.180   1.184   7.023
  124   1HB   GLN 538          2HB       GLN 538   3.485  -0.744   5.825
  125   2HB   GLN 538          1HB       GLN 538   4.688   0.504   5.533
  126   1HG   GLN 538          2HG       GLN 538   5.434  -0.439   7.490
  127   2HG   GLN 538          1HG       GLN 538   4.499   0.934   8.078
  128   1HE2  GLN 538          1HE2      GLN 538   3.651  -2.329   6.968
  129   2HE2  GLN 538          2HE2      GLN 538   2.754  -2.762   8.378
  130    H    VAL 539           H        VAL 539   3.528   2.728   8.030
  131    HA   VAL 539           HA       VAL 539   4.088   5.041   6.320
  132    HB   VAL 539           HB       VAL 539   4.110   5.016   9.334
  133   1HG1  VAL 539          1HG1      VAL 539   4.428   7.021   7.243
  134   2HG1  VAL 539          2HG1      VAL 539   4.884   7.076   8.946
  135   3HG1  VAL 539          3HG1      VAL 539   3.233   7.464   8.461
  136   1HG2  VAL 539          1HG2      VAL 539   1.723   6.168   8.206
  137   2HG2  VAL 539          2HG2      VAL 539   1.890   4.928   9.449
  138   3HG2  VAL 539          3HG2      VAL 539   1.877   4.473   7.746
  139    H    ALA 540           H        ALA 540   6.098   5.762   5.965
  140    HA   ALA 540           HA       ALA 540   8.297   4.333   7.288
  141   1HB   ALA 540          1HB       ALA 540   9.171   4.123   5.261
  142   2HB   ALA 540          2HB       ALA 540   9.222   5.877   5.087
  143   3HB   ALA 540          3HB       ALA 540   7.790   4.983   4.579
  144    HA   PRO 541           HA       PRO 541   9.885   7.916   9.294
  145   1HB   PRO 541          2HB       PRO 541  12.542   7.895   8.676
  146   2HB   PRO 541          1HB       PRO 541  11.806   6.780   9.834
  147   1HG   PRO 541          2HG       PRO 541  12.506   6.336   6.957
  148   2HG   PRO 541          1HG       PRO 541  12.749   5.260   8.346
  149   1HD   PRO 541          2HD       PRO 541  10.707   4.924   6.619
  150   2HD   PRO 541          1HD       PRO 541  10.544   4.561   8.350
  151    H    ASN 542           H        ASN 542  10.502   7.554   5.889
  152    HA   ASN 542           HA       ASN 542  11.640   9.974   5.213
  153   1HB   ASN 542          2HB       ASN 542  11.239   8.119   3.630
  154   2HB   ASN 542          1HB       ASN 542   9.516   8.472   3.665
  155   1HD2  ASN 542          1HD2      ASN 542   9.323   8.972   1.536
  156   2HD2  ASN 542          2HD2      ASN 542  10.039  10.367   0.814
  157    H    GLY 543           H        GLY 543   8.423   9.294   6.308
  158   1HA   GLY 543          2HA       GLY 543   7.237  11.179   7.324
  159   2HA   GLY 543          1HA       GLY 543   7.759  12.149   5.957
  160    H    ARG 544           H        ARG 544   7.050   9.359   4.501
  161    HA   ARG 544           HA       ARG 544   4.169   9.898   4.343
  162   1HB   ARG 544          2HB       ARG 544   4.156   9.876   1.985
  163   2HB   ARG 544          1HB       ARG 544   5.498  10.919   2.431
  164   1HG   ARG 544          2HG       ARG 544   6.775   8.552   2.216
  165   2HG   ARG 544          1HG       ARG 544   5.485   8.339   1.031
  166   1HD   ARG 544          2HD       ARG 544   7.504   9.291   0.019
  167   2HD   ARG 544          1HD       ARG 544   6.133  10.395  -0.082
  168    HE   ARG 544           HE       ARG 544   7.848  10.823   2.198
  169   1HH1  ARG 544          1HH1      ARG 544   7.224  11.609  -1.138
  170   2HH1  ARG 544          2HH1      ARG 544   8.083  13.112  -1.079
  171   1HH2  ARG 544          1HH2      ARG 544   8.984  12.801   2.284
  172   2HH2  ARG 544          2HH2      ARG 544   9.083  13.788   0.865
  173    H    THR 545           H        THR 545   2.894   8.131   3.484
  174    HA   THR 545           HA       THR 545   3.862   5.588   4.471
  175    HB   THR 545           HB       THR 545   1.454   4.938   3.510
  176    HG1  THR 545           1HG      THR 545   0.064   6.745   3.713
  177   1HG2  THR 545          1HG2      THR 545   1.836   6.522   6.054
  178   2HG2  THR 545          2HG2      THR 545   2.213   4.810   5.863
  179   3HG2  THR 545          3HG2      THR 545   0.547   5.367   5.717
  180    H    PHE 546           H        PHE 546   4.059   3.700   3.263
  181    HA   PHE 546           HA       PHE 546   4.151   4.112   0.352
  182   1HB   PHE 546          2HB       PHE 546   5.939   2.300   0.404
  183   2HB   PHE 546          1HB       PHE 546   6.395   3.880   1.025
  184    HD1  PHE 546           1HD      PHE 546   6.221   4.209   3.584
  185    HD2  PHE 546           2HD      PHE 546   6.295   0.406   1.668
  186    HE1  PHE 546           1HE      PHE 546   6.946   3.159   5.691
  187    HE2  PHE 546           2HE      PHE 546   7.015  -0.646   3.772
  188    HZ   PHE 546           HZ       PHE 546   7.343   0.731   5.787
  189    H    PHE 547           H        PHE 547   4.193   1.893  -0.816
  190    HA   PHE 547           HA       PHE 547   2.035   0.252   0.338
  191   1HB   PHE 547          2HB       PHE 547   2.471   1.342  -2.346
  192   2HB   PHE 547          1HB       PHE 547   2.012  -0.358  -2.332
  193    HD1  PHE 547           1HD      PHE 547  -0.226  -0.744  -2.593
  194    HD2  PHE 547           2HD      PHE 547   1.015   2.755  -0.517
  195    HE1  PHE 547           1HE      PHE 547  -2.579  -0.102  -2.278
  196    HE2  PHE 547           2HE      PHE 547  -1.337   3.404  -0.195
  197    HZ   PHE 547           HZ       PHE 547  -3.138   1.974  -1.076
  198    H    ILE 548           H        ILE 548   2.479  -1.717   0.871
  199    HA   ILE 548           HA       ILE 548   5.025  -2.878   0.175
  200    HB   ILE 548           HB       ILE 548   2.788  -4.102   1.782
  201   1HG1  ILE 548          2HG1      ILE 548   5.011  -2.216   2.528
  202   2HG1  ILE 548          1HG1      ILE 548   3.302  -2.119   2.934
  203   1HG2  ILE 548          1HG2      ILE 548   4.456  -5.593   2.637
  204   2HG2  ILE 548          2HG2      ILE 548   5.740  -4.718   1.800
  205   3HG2  ILE 548          3HG2      ILE 548   4.544  -5.628   0.876
  206   1HD1  ILE 548          1HD1      ILE 548   3.921  -4.393   4.202
  207   2HD1  ILE 548          2HD1      ILE 548   4.053  -2.797   4.942
  208   3HD1  ILE 548          3HD1      ILE 548   5.484  -3.578   4.269
  209    H    ASP 549           H        ASP 549   5.338  -4.763  -0.952
  210    HA   ASP 549           HA       ASP 549   3.049  -5.734  -2.529
  211   1HB   ASP 549          2HB       ASP 549   4.476  -4.419  -3.980
  212   2HB   ASP 549          1HB       ASP 549   5.899  -5.306  -3.445
  213    H    HIS 550           H        HIS 550   2.597  -7.613  -1.509
  214    HA   HIS 550           HA       HIS 550   4.572  -9.341  -0.417
  215   1HB   HIS 550          2HB       HIS 550   1.645  -9.747  -1.039
  216   2HB   HIS 550          1HB       HIS 550   2.641 -10.971  -0.263
  217    HD2  HIS 550           2HD      HIS 550   1.932  -7.158   0.536
  218    HE1  HIS 550           1HE      HIS 550   1.865  -9.460   4.087
  219    HE2  HIS 550           2HE      HIS 550   1.793  -7.114   3.127
  220    H    ALA 551           H        ALA 551   3.175  -8.983  -3.560
  221    HA   ALA 551           HA       ALA 551   3.617 -11.572  -4.575
  222   1HB   ALA 551          1HB       ALA 551   2.886 -10.741  -6.539
  223   2HB   ALA 551          2HB       ALA 551   3.939  -9.329  -6.456
  224   3HB   ALA 551          3HB       ALA 551   2.429  -9.357  -5.546
  225    H    SER 552           H        SER 552   5.570  -8.627  -5.108
  226    HA   SER 552           HA       SER 552   7.848 -10.333  -5.788
  227   1HB   SER 552          2HB       SER 552   6.885  -8.002  -6.935
  228   2HB   SER 552          1HB       SER 552   8.289  -7.459  -6.016
  229    HG   SER 552           HG       SER 552   8.782  -8.158  -8.175
  230    H    ARG 553           H        ARG 553   6.640  -8.949  -3.047
  231    HA   ARG 553           HA       ARG 553   7.501  -8.475  -1.001
  232   1HB   ARG 553          2HB       ARG 553   9.744 -10.038  -2.243
  233   2HB   ARG 553          1HB       ARG 553   9.942  -9.313  -0.653
  234   1HG   ARG 553          2HG       ARG 553   9.199 -11.363  -0.031
  235   2HG   ARG 553          1HG       ARG 553   7.646 -10.544  -0.203
  236   1HD   ARG 553          2HD       ARG 553   7.414 -12.606  -1.325
  237   2HD   ARG 553          1HD       ARG 553   7.614 -11.391  -2.587
  238    HE   ARG 553           HE       ARG 553  10.110 -12.533  -1.860
  239   1HH1  ARG 553          1HH1      ARG 553   7.196 -13.168  -3.656
  240   2HH1  ARG 553          2HH1      ARG 553   7.962 -14.252  -4.767
  241   1HH2  ARG 553          1HH2      ARG 553  11.131 -13.958  -3.320
  242   2HH2  ARG 553          2HH2      ARG 553  10.199 -14.702  -4.577
  243    H    ARG 554           H        ARG 554   7.385  -6.311  -2.483
  244    HA   ARG 554           HA       ARG 554   9.851  -4.875  -1.809
  245   1HB   ARG 554          2HB       ARG 554   8.386  -4.660  -4.444
  246   2HB   ARG 554          1HB       ARG 554   9.696  -3.605  -3.933
  247   1HG   ARG 554          2HG       ARG 554  11.213  -5.515  -3.866
  248   2HG   ARG 554          1HG       ARG 554   9.898  -6.577  -4.374
  249   1HD   ARG 554          2HD       ARG 554   9.853  -5.720  -6.514
  250   2HD   ARG 554          1HD       ARG 554  10.570  -4.185  -6.027
  251    HE   ARG 554           HE       ARG 554  12.490  -6.136  -5.602
  252   1HH1  ARG 554          1HH1      ARG 554  10.719  -4.800  -8.285
  253   2HH1  ARG 554          2HH1      ARG 554  11.973  -5.114  -9.438
  254   1HH2  ARG 554          1HH2      ARG 554  14.149  -6.552  -7.110
  255   2HH2  ARG 554          2HH2      ARG 554  13.924  -6.111  -8.770
  256    H    THR 555           H        THR 555   9.375  -2.394  -2.290
  257    HA   THR 555           HA       THR 555   6.667  -1.730  -1.366
  258    HB   THR 555           HB       THR 555   7.626  -0.037   0.186
  259    HG1  THR 555           1HG      THR 555   9.835  -0.157   0.673
  260   1HG2  THR 555          1HG2      THR 555   6.912  -1.939   1.312
  261   2HG2  THR 555          2HG2      THR 555   8.595  -1.805   1.823
  262   3HG2  THR 555          3HG2      THR 555   8.145  -2.962   0.571
  263    H    THR 556           H        THR 556   6.202   0.633  -1.598
  264    HA   THR 556           HA       THR 556   7.860   2.172  -3.367
  265    HB   THR 556           HB       THR 556   6.906   0.833  -5.092
  266    HG1  THR 556           1HG      THR 556   6.892   3.033  -5.610
  267   1HG2  THR 556          1HG2      THR 556   4.535   0.933  -3.388
  268   2HG2  THR 556          2HG2      THR 556   5.027  -0.278  -4.572
  269   3HG2  THR 556          3HG2      THR 556   4.178   1.174  -5.099
  270    H    TRP 557           H        TRP 557   6.816   4.263  -3.951
  271    HA   TRP 557           HA       TRP 557   5.344   5.258  -1.646
  272   1HB   TRP 557          2HB       TRP 557   6.790   6.609  -3.913
  273   2HB   TRP 557          1HB       TRP 557   5.815   7.504  -2.754
  274    HD1  TRP 557           HD       TRP 557   9.233   7.070  -3.316
  275    HE1  TRP 557           1HE      TRP 557  10.637   7.031  -1.162
  276    HE3  TRP 557           3HE      TRP 557   5.510   6.147   0.052
  277    HZ2  TRP 557           2HZ      TRP 557  10.217   6.665   1.604
  278    HZ3  TRP 557           3HZ      TRP 557   6.095   5.963   2.434
  279    HH2  TRP 557           HH       TRP 557   8.402   6.218   3.194
  280    H    ILE 558           H        ILE 558   4.318   3.811  -4.315
  281    HA   ILE 558           HA       ILE 558   1.975   5.572  -4.546
  282    HB   ILE 558           HB       ILE 558   3.077   4.037  -6.887
  283   1HG1  ILE 558          2HG1      ILE 558   4.698   5.773  -5.943
  284   2HG1  ILE 558          1HG1      ILE 558   4.252   5.956  -7.638
  285   1HG2  ILE 558          1HG2      ILE 558   1.666   6.367  -7.627
  286   2HG2  ILE 558          2HG2      ILE 558   0.710   5.546  -6.393
  287   3HG2  ILE 558          3HG2      ILE 558   1.190   4.685  -7.854
  288   1HD1  ILE 558          1HD1      ILE 558   2.762   7.747  -7.113
  289   2HD1  ILE 558          2HD1      ILE 558   4.318   8.076  -6.350
  290   3HD1  ILE 558          3HD1      ILE 558   2.971   7.478  -5.383
  291    H    ASP 559           H        ASP 559  -0.004   4.552  -4.863
  292    HA   ASP 559           HA       ASP 559  -0.056   1.777  -4.013
  293   1HB   ASP 559          2HB       ASP 559  -2.428   2.120  -3.631
  294   2HB   ASP 559          1HB       ASP 559  -1.520   3.450  -2.920
  295    HA   PRO 560           HA       PRO 560  -0.988   0.370  -8.126
  296   1HB   PRO 560          2HB       PRO 560  -1.441  -2.233  -7.514
  297   2HB   PRO 560          1HB       PRO 560   0.170  -1.517  -7.559
  298   1HG   PRO 560          2HG       PRO 560  -1.439  -2.357  -5.240
  299   2HG   PRO 560          1HG       PRO 560   0.307  -2.112  -5.383
  300   1HD   PRO 560          2HD       PRO 560  -1.626  -0.352  -4.235
  301   2HD   PRO 560          1HD       PRO 560   0.120  -0.100  -4.409
  302    H    ARG 561           H        ARG 561  -3.242   0.950  -5.838
  303    HA   ARG 561           HA       ARG 561  -5.432  -0.581  -6.929
  304   1HB   ARG 561          2HB       ARG 561  -5.962   1.718  -5.139
  305   2HB   ARG 561          1HB       ARG 561  -6.635   0.098  -5.106
  306   1HG   ARG 561          2HG       ARG 561  -4.427  -0.685  -4.203
  307   2HG   ARG 561          1HG       ARG 561  -3.974   1.012  -4.051
  308   1HD   ARG 561          2HD       ARG 561  -6.486  -0.077  -2.819
  309   2HD   ARG 561          1HD       ARG 561  -4.931  -0.149  -1.989
  310    HE   ARG 561           HE       ARG 561  -5.719   2.465  -2.958
  311   1HH1  ARG 561          1HH1      ARG 561  -5.687   0.239  -0.267
  312   2HH1  ARG 561          2HH1      ARG 561  -5.877   1.482   0.922
  313   1HH2  ARG 561          1HH2      ARG 561  -5.970   4.096  -1.393
  314   2HH2  ARG 561          2HH2      ARG 561  -6.038   3.671   0.284
  315    H    ASN 562           H        ASN 562  -4.379   2.798  -6.866
  316    HA   ASN 562           HA       ASN 562  -5.926   3.269  -9.297
  317   1HB   ASN 562          2HB       ASN 562  -6.455   5.611  -8.196
  318   2HB   ASN 562          1HB       ASN 562  -7.497   4.220  -7.912
  319   1HD2  ASN 562          1HD2      ASN 562  -4.401   5.323  -6.566
  320   2HD2  ASN 562          2HD2      ASN 562  -4.901   5.252  -4.914
  321    H    GLY 563           H        GLY 563  -3.019   3.050  -8.374
  322   1HA   GLY 563          2HA       GLY 563  -1.011   4.046  -8.860
  323   2HA   GLY 563          1HA       GLY 563  -1.871   4.782 -10.204
  324    H    ARG 564           H        ARG 564  -2.103   5.225  -6.674
  325    HA   ARG 564           HA       ARG 564  -1.373   8.048  -7.076
  326   1HB   ARG 564          2HB       ARG 564  -3.557   7.039  -5.245
  327   2HB   ARG 564          1HB       ARG 564  -3.057   8.715  -5.430
  328   1HG   ARG 564          2HG       ARG 564  -4.264   7.006  -7.595
  329   2HG   ARG 564          1HG       ARG 564  -5.121   8.222  -6.647
  330   1HD   ARG 564          2HD       ARG 564  -2.805   9.459  -7.688
  331   2HD   ARG 564          1HD       ARG 564  -3.546   8.556  -9.009
  332    HE   ARG 564           HE       ARG 564  -5.381  10.177  -7.481
  333   1HH1  ARG 564          1HH1      ARG 564  -3.214  10.047 -10.206
  334   2HH1  ARG 564          2HH1      ARG 564  -3.986  11.351 -11.045
  335   1HH2  ARG 564          1HH2      ARG 564  -6.401  11.897  -8.579
  336   2HH2  ARG 564          2HH2      ARG 564  -5.794  12.403 -10.121
  337    H    ALA 565           H        ALA 565  -0.427   9.093  -5.242
  338    HA   ALA 565           HA       ALA 565   1.324   7.374  -3.772
  339   1HB   ALA 565          1HB       ALA 565   2.383   9.328  -3.011
  340   2HB   ALA 565          2HB       ALA 565   0.938  10.309  -3.262
  341   3HB   ALA 565          3HB       ALA 565   1.846   9.705  -4.648
  342    H    SER 566           H        SER 566   1.257   6.759  -1.671
  343    HA   SER 566           HA       SER 566  -1.218   6.728  -0.321
  344   1HB   SER 566          2HB       SER 566   1.126   5.326  -0.099
  345   2HB   SER 566          1HB       SER 566   1.157   6.313   1.362
  346    HG   SER 566           HG       SER 566  -0.951   5.504   1.829
  347   1H    THR 227          1HT       THR 227  17.799   7.562  -0.746
  348   2H    THR 227          2HT       THR 227  17.423   8.682   0.465
  349   3H    THR 227          3HT       THR 227  17.273   9.116  -1.162
  350    HA   THR 227           HA       THR 227  15.126   8.654  -0.865
  351    HB   THR 227           HB       THR 227  14.525   6.394  -1.445
  352    HG1  THR 227           1HG      THR 227  17.206   5.644  -0.836
  353   1HG2  THR 227          1HG2      THR 227  17.068   6.382  -2.890
  354   2HG2  THR 227          2HG2      THR 227  16.251   7.946  -2.913
  355   3HG2  THR 227          3HG2      THR 227  15.419   6.507  -3.502
  356    H    GLY 228           H        GLY 228  13.391   7.402   0.321
  357   1HA   GLY 228          2HA       GLY 228  14.244   6.669   3.042
  358   2HA   GLY 228          1HA       GLY 228  12.993   7.881   2.820
  359    H    LEU 229           H        LEU 229  13.124   5.261   0.582
  360    HA   LEU 229           HA       LEU 229  10.626   4.226   1.702
  361   1HB   LEU 229          2HB       LEU 229  10.415   4.800  -0.586
  362   2HB   LEU 229          1HB       LEU 229  11.916   3.995  -1.003
  363    HG   LEU 229           HG       LEU 229  10.148   2.059   0.125
  364   1HD1  LEU 229          1HD1      LEU 229   8.452   3.817  -0.624
  365   2HD1  LEU 229          2HD1      LEU 229   8.233   2.167  -1.207
  366   3HD1  LEU 229          3HD1      LEU 229   8.929   3.392  -2.268
  367   1HD2  LEU 229          1HD2      LEU 229  12.010   2.280  -1.913
  368   2HD2  LEU 229          2HD2      LEU 229  10.493   1.950  -2.749
  369   3HD2  LEU 229          3HD2      LEU 229  11.069   0.846  -1.500
  370    HA   PRO 230           HA       PRO 230  13.253   0.933   3.407
  371   1HB   PRO 230          2HB       PRO 230  10.576  -0.015   4.285
  372   2HB   PRO 230          1HB       PRO 230  12.051   0.225   5.229
  373   1HG   PRO 230          2HG       PRO 230  10.027   1.934   5.444
  374   2HG   PRO 230          1HG       PRO 230  11.704   2.519   5.427
  375   1HD   PRO 230          2HD       PRO 230   9.675   2.523   3.222
  376   2HD   PRO 230          1HD       PRO 230  10.830   3.786   3.692
  377    H    SER 231           H        SER 231  11.817  -1.601   3.698
  378    HA   SER 231           HA       SER 231  11.016  -2.327   1.006
  379   1HB   SER 231          2HB       SER 231  13.635  -3.087   2.202
  380   2HB   SER 231          1HB       SER 231  12.774  -4.317   1.277
  381    HG   SER 231           HG       SER 231  13.070  -1.742   0.202
  382    H    TYR 232           H        TYR 232  10.424  -4.679   0.883
  383    HA   TYR 232           HA       TYR 232   8.615  -5.303   2.957
  384   1HB   TYR 232          2HB       TYR 232   8.470  -5.978   0.502
  385   2HB   TYR 232          1HB       TYR 232   9.627  -7.249   0.884
  386    HD1  TYR 232           1HD      TYR 232   8.892  -8.627   3.120
  387    HD2  TYR 232           2HD      TYR 232   6.265  -6.614   0.444
  388    HE1  TYR 232           1HE      TYR 232   7.049 -10.084   3.841
  389    HE2  TYR 232           2HE      TYR 232   4.416  -8.066   1.160
  390    HH   TYR 232           HH       TYR 232   4.703 -10.851   2.570
  391    H    ASP 233           H        ASP 233   9.798  -5.424   4.891
  392    HA   ASP 233           HA       ASP 233  10.528  -7.916   5.792
  393   1HB   ASP 233          2HB       ASP 233  12.622  -6.730   4.216
  394   2HB   ASP 233          1HB       ASP 233  13.160  -6.895   5.885
  395    H    GLU 234           H        GLU 234  11.737  -4.573   6.014
  396    HA   GLU 234           HA       GLU 234  11.505  -4.754   8.938
  397   1HB   GLU 234          2HB       GLU 234  12.886  -2.641   8.903
  398   2HB   GLU 234          1HB       GLU 234  13.697  -4.085   8.310
  399   1HG   GLU 234          2HG       GLU 234  13.832  -3.312   6.190
  400   2HG   GLU 234          1HG       GLU 234  12.321  -2.409   6.303
  401    H    ALA 235           H        ALA 235   9.158  -4.485   7.406
  402    HA   ALA 235           HA       ALA 235   8.100  -2.070   8.576
  403   1HB   ALA 235          1HB       ALA 235   8.075  -2.414   5.579
  404   2HB   ALA 235          2HB       ALA 235   8.947  -1.179   6.487
  405   3HB   ALA 235          3HB       ALA 235   7.183  -1.183   6.472
  406    H    LEU 236           H        LEU 236   7.717  -4.975   8.760
  407    HA   LEU 236           HA       LEU 236   5.029  -5.352   7.681
  408   1HB   LEU 236          2HB       LEU 236   7.120  -7.148   8.821
  409   2HB   LEU 236          1HB       LEU 236   5.445  -7.657   8.906
  410    HG   LEU 236           HG       LEU 236   5.542  -7.032   6.306
  411   1HD1  LEU 236          1HD1      LEU 236   8.085  -8.333   6.166
  412   2HD1  LEU 236          2HD1      LEU 236   8.235  -6.837   7.087
  413   3HD1  LEU 236          3HD1      LEU 236   7.573  -6.804   5.452
  414   1HD2  LEU 236          1HD2      LEU 236   5.655  -9.341   5.864
  415   2HD2  LEU 236          2HD2      LEU 236   4.964  -9.209   7.480
  416   3HD2  LEU 236          3HD2      LEU 236   6.661  -9.645   7.281
  417    H    HIS 237           H        HIS 237   6.709  -4.831  10.688
  418    HA   HIS 237           HA       HIS 237   4.681  -5.626  12.470
  419   1HB   HIS 237          2HB       HIS 237   6.822  -3.517  12.828
  420   2HB   HIS 237          1HB       HIS 237   5.862  -4.222  14.125
  421    HD1  HIS 237           1HD      HIS 237   6.867  -6.194  15.242
  422    HD2  HIS 237           2HD      HIS 237   8.461  -5.571  11.455
  423    HE1  HIS 237           1HE      HIS 237   8.708  -7.889  15.002
  424    HE2  HIS 237           2HE      HIS 237   9.612  -7.540  12.675
  Start of MODEL   22
    1   1H    GLY 521          1HT       GLY 521 -10.708  13.821   4.830
    2   2H    GLY 521          2HT       GLY 521 -11.398  15.337   4.532
    3   3H    GLY 521          3HT       GLY 521 -11.977  14.379   5.801
    4   1HA   GLY 521          1HA       GLY 521  -9.263  14.665   6.256
    5   2HA   GLY 521          2HA       GLY 521  -9.856  16.256   5.805
    6    HA   PRO 522           HA       PRO 522 -11.569  16.999   9.789
    7   1HB   PRO 522          2HB       PRO 522 -14.213  17.584   9.345
    8   2HB   PRO 522          1HB       PRO 522 -12.888  18.713   9.045
    9   1HG   PRO 522          2HG       PRO 522 -14.348  16.947   7.116
   10   2HG   PRO 522          1HG       PRO 522 -13.838  18.635   6.924
   11   1HD   PRO 522          2HD       PRO 522 -12.458  16.619   5.815
   12   2HD   PRO 522          1HD       PRO 522 -11.639  18.051   6.473
   13    H    LEU 523           H        LEU 523 -13.879  15.078   7.871
   14    HA   LEU 523           HA       LEU 523 -13.886  12.995   9.865
   15   1HB   LEU 523          2HB       LEU 523 -15.736  15.000  10.202
   16   2HB   LEU 523          1HB       LEU 523 -16.636  13.810   9.282
   17    HG   LEU 523           HG       LEU 523 -15.126  12.915  11.697
   18   1HD1  LEU 523          1HD1      LEU 523 -17.237  14.883  11.718
   19   2HD1  LEU 523          2HD1      LEU 523 -16.254  14.269  13.048
   20   3HD1  LEU 523          3HD1      LEU 523 -17.718  13.413  12.565
   21   1HD2  LEU 523          1HD2      LEU 523 -16.687  11.178  11.740
   22   2HD2  LEU 523          2HD2      LEU 523 -16.356  11.415  10.024
   23   3HD2  LEU 523          3HD2      LEU 523 -17.836  12.060  10.735
   24    H    GLY 524           H        GLY 524 -13.082  11.801   8.084
   25   1HA   GLY 524          2HA       GLY 524 -13.583  10.068   6.592
   26   2HA   GLY 524          1HA       GLY 524 -15.204  10.722   6.412
   27    H    SER 525           H        SER 525 -15.593  11.380   4.417
   28    HA   SER 525           HA       SER 525 -15.344  12.278   2.343
   29   1HB   SER 525          2HB       SER 525 -12.942  13.862   2.990
   30   2HB   SER 525          1HB       SER 525 -14.488  14.378   2.316
   31    HG   SER 525           HG       SER 525 -14.530  15.233   4.294
   32    H    GLY 526           H        GLY 526 -14.169  12.020   0.413
   33   1HA   GLY 526          2HA       GLY 526 -12.159  11.474  -0.782
   34   2HA   GLY 526          1HA       GLY 526 -11.578  10.643   0.653
   35    H    GLU 527           H        GLU 527 -11.537   8.519   0.450
   36    HA   GLU 527           HA       GLU 527 -13.742   6.953  -0.290
   37   1HB   GLU 527          2HB       GLU 527 -12.938   7.978  -2.540
   38   2HB   GLU 527          1HB       GLU 527 -11.617   6.826  -2.407
   39   1HG   GLU 527          2HG       GLU 527 -13.267   5.824  -3.762
   40   2HG   GLU 527          1HG       GLU 527 -13.340   5.019  -2.195
   41    H    GLU 528           H        GLU 528 -10.251   6.689  -0.980
   42    HA   GLU 528           HA       GLU 528  -8.644   5.296  -0.167
   43   1HB   GLU 528          2HB       GLU 528 -10.223   5.908   2.050
   44   2HB   GLU 528          1HB       GLU 528 -10.072   4.158   2.089
   45   1HG   GLU 528          2HG       GLU 528  -7.518   4.798   1.632
   46   2HG   GLU 528          1HG       GLU 528  -8.032   6.252   2.487
   47    H    GLU 529           H        GLU 529  -8.878   3.899  -1.949
   48    HA   GLU 529           HA       GLU 529 -10.741   1.714  -1.862
   49   1HB   GLU 529          2HB       GLU 529 -10.127   2.643  -4.011
   50   2HB   GLU 529          1HB       GLU 529  -8.429   2.307  -3.712
   51   1HG   GLU 529          2HG       GLU 529  -8.908   0.536  -5.031
   52   2HG   GLU 529          1HG       GLU 529  -9.343  -0.167  -3.475
   53    HA   PRO 530           HA       PRO 530  -8.481  -1.159   0.623
   54   1HB   PRO 530          2HB       PRO 530  -9.399  -3.145  -1.403
   55   2HB   PRO 530          1HB       PRO 530  -9.542  -3.186   0.358
   56   1HG   PRO 530          2HG       PRO 530 -11.650  -2.608  -1.162
   57   2HG   PRO 530          1HG       PRO 530 -11.375  -1.765   0.374
   58   1HD   PRO 530          2HD       PRO 530 -10.953  -0.806  -2.418
   59   2HD   PRO 530          1HD       PRO 530 -11.485   0.092  -0.981
   60    H    LEU 531           H        LEU 531  -6.856  -2.972   0.334
   61    HA   LEU 531           HA       LEU 531  -4.941  -2.160  -1.712
   62   1HB   LEU 531          2HB       LEU 531  -4.413  -4.185   0.438
   63   2HB   LEU 531          1HB       LEU 531  -3.272  -3.131  -0.382
   64    HG   LEU 531           HG       LEU 531  -5.401  -1.990   1.396
   65   1HD1  LEU 531          1HD1      LEU 531  -4.368  -2.549   3.293
   66   2HD1  LEU 531          2HD1      LEU 531  -2.766  -2.285   2.605
   67   3HD1  LEU 531          3HD1      LEU 531  -3.596  -3.817   2.340
   68   1HD2  LEU 531          1HD2      LEU 531  -3.993  -0.615  -0.216
   69   2HD2  LEU 531          2HD2      LEU 531  -2.629  -0.981   0.841
   70   3HD2  LEU 531          3HD2      LEU 531  -4.020  -0.096   1.469
   71    HA   PRO 532           HA       PRO 532  -5.807  -5.460  -4.496
   72   1HB   PRO 532          2HB       PRO 532  -2.837  -5.579  -4.740
   73   2HB   PRO 532          1HB       PRO 532  -4.067  -5.506  -6.005
   74   1HG   PRO 532          2HG       PRO 532  -2.684  -3.344  -5.385
   75   2HG   PRO 532          1HG       PRO 532  -4.424  -3.225  -5.702
   76   1HD   PRO 532          2HD       PRO 532  -2.966  -3.160  -3.093
   77   2HD   PRO 532          1HD       PRO 532  -4.404  -2.252  -3.606
   78    HA   PRO 533           HA       PRO 533  -5.033  -9.449  -2.836
   79   1HB   PRO 533          2HB       PRO 533  -3.634 -10.477  -5.193
   80   2HB   PRO 533          1HB       PRO 533  -5.216 -10.914  -4.541
   81   1HG   PRO 533          2HG       PRO 533  -4.970  -9.534  -6.827
   82   2HG   PRO 533          1HG       PRO 533  -6.299  -9.220  -5.693
   83   1HD   PRO 533          2HD       PRO 533  -3.731  -7.711  -6.067
   84   2HD   PRO 533          1HD       PRO 533  -5.385  -7.085  -5.878
   85    H    ARG 534           H        ARG 534  -2.256  -7.724  -3.645
   86    HA   ARG 534           HA       ARG 534  -0.691  -9.510  -1.943
   87   1HB   ARG 534          2HB       ARG 534   0.169  -8.708  -4.724
   88   2HB   ARG 534          1HB       ARG 534   1.224  -9.461  -3.536
   89   1HG   ARG 534          2HG       ARG 534  -1.329 -10.749  -4.443
   90   2HG   ARG 534          1HG       ARG 534   0.198 -10.967  -5.300
   91   1HD   ARG 534          2HD       ARG 534   1.071 -12.283  -3.683
   92   2HD   ARG 534          1HD       ARG 534   0.288 -11.386  -2.382
   93    HE   ARG 534           HE       ARG 534  -1.389 -12.927  -2.415
   94   1HH1  ARG 534          1HH1      ARG 534   0.270 -13.039  -5.476
   95   2HH1  ARG 534          2HH1      ARG 534  -0.641 -14.389  -6.067
   96   1HH2  ARG 534          1HH2      ARG 534  -2.593 -14.703  -3.185
   97   2HH2  ARG 534          2HH2      ARG 534  -2.269 -15.334  -4.765
   98    H    TRP 535           H        TRP 535  -1.738  -6.937  -1.407
   99    HA   TRP 535           HA       TRP 535   0.804  -5.555  -0.976
  100   1HB   TRP 535          2HB       TRP 535  -1.658  -4.207  -2.077
  101   2HB   TRP 535          1HB       TRP 535  -0.177  -3.387  -1.590
  102    HD1  TRP 535           HD       TRP 535  -1.166  -6.191  -4.088
  103    HE1  TRP 535           1HE      TRP 535   0.272  -5.913  -6.196
  104    HE3  TRP 535           3HE      TRP 535   1.684  -2.249  -2.568
  105    HZ2  TRP 535           2HZ      TRP 535   2.365  -4.215  -7.092
  106    HZ3  TRP 535           3HZ      TRP 535   3.388  -1.355  -4.102
  107    HH2  TRP 535           HH       TRP 535   3.721  -2.322  -6.319
  108    H    SER 536           H        SER 536   0.561  -3.662   0.516
  109    HA   SER 536           HA       SER 536  -1.589  -3.894   2.457
  110   1HB   SER 536          2HB       SER 536   0.850  -5.225   2.867
  111   2HB   SER 536          1HB       SER 536   0.916  -3.797   3.889
  112    HG   SER 536           HG       SER 536  -0.068  -5.547   4.967
  113    H    MET 537           H        MET 537  -0.238  -2.383   4.471
  114    HA   MET 537           HA       MET 537   0.537   0.092   3.128
  115   1HB   MET 537          2HB       MET 537  -1.786  -0.213   5.010
  116   2HB   MET 537          1HB       MET 537  -1.028   1.341   4.697
  117   1HG   MET 537          2HG       MET 537  -1.471   0.681   2.196
  118   2HG   MET 537          1HG       MET 537  -2.693  -0.359   2.925
  119   1HE   MET 537          1HE       MET 537  -4.351   0.449   4.659
  120   2HE   MET 537          2HE       MET 537  -5.231   0.664   3.145
  121   3HE   MET 537          3HE       MET 537  -5.285   1.919   4.384
  122    H    GLN 538           H        GLN 538   1.823   1.448   4.350
  123    HA   GLN 538           HA       GLN 538   2.280   1.109   7.131
  124   1HB   GLN 538          2HB       GLN 538   3.448  -0.894   6.463
  125   2HB   GLN 538          1HB       GLN 538   4.340  -0.016   5.228
  126   1HG   GLN 538          2HG       GLN 538   5.817  -0.367   7.036
  127   2HG   GLN 538          1HG       GLN 538   5.368   1.338   7.065
  128   1HE2  GLN 538          1HE2      GLN 538   5.888  -1.257   8.955
  129   2HE2  GLN 538          2HE2      GLN 538   4.900  -0.850  10.312
  130    H    VAL 539           H        VAL 539   3.120   2.945   7.935
  131    HA   VAL 539           HA       VAL 539   3.829   5.047   6.078
  132    HB   VAL 539           HB       VAL 539   3.871   5.219   9.089
  133   1HG1  VAL 539          1HG1      VAL 539   3.085   7.632   8.213
  134   2HG1  VAL 539          2HG1      VAL 539   4.075   7.127   6.845
  135   3HG1  VAL 539          3HG1      VAL 539   4.775   7.194   8.462
  136   1HG2  VAL 539          1HG2      VAL 539   1.505   6.364   8.007
  137   2HG2  VAL 539          2HG2      VAL 539   1.659   5.032   9.154
  138   3HG2  VAL 539          3HG2      VAL 539   1.631   4.705   7.421
  139    H    ALA 540           H        ALA 540   5.818   5.672   5.561
  140    HA   ALA 540           HA       ALA 540   8.077   4.325   6.811
  141   1HB   ALA 540          1HB       ALA 540   8.163   4.264   4.460
  142   2HB   ALA 540          2HB       ALA 540   9.353   5.474   4.937
  143   3HB   ALA 540          3HB       ALA 540   7.779   5.979   4.321
  144    HA   PRO 541           HA       PRO 541   9.409   7.679   9.342
  145   1HB   PRO 541          2HB       PRO 541  12.134   7.552   8.930
  146   2HB   PRO 541          1HB       PRO 541  11.241   6.515  10.046
  147   1HG   PRO 541          2HG       PRO 541  12.177   5.946   7.265
  148   2HG   PRO 541          1HG       PRO 541  12.172   4.886   8.685
  149   1HD   PRO 541          2HD       PRO 541  10.323   4.659   6.753
  150   2HD   PRO 541          1HD       PRO 541   9.921   4.385   8.461
  151    H    ASN 542           H        ASN 542  10.341   7.482   6.002
  152    HA   ASN 542           HA       ASN 542  11.640   9.887   5.588
  153   1HB   ASN 542          2HB       ASN 542  11.421   8.199   3.847
  154   2HB   ASN 542          1HB       ASN 542   9.679   8.449   3.787
  155   1HD2  ASN 542          1HD2      ASN 542  10.025   8.821   1.529
  156   2HD2  ASN 542          2HD2      ASN 542  10.529  10.378   0.982
  157    H    GLY 543           H        GLY 543   8.235   9.242   6.083
  158   1HA   GLY 543          2HA       GLY 543   7.063  11.175   7.153
  159   2HA   GLY 543          1HA       GLY 543   7.712  12.140   5.839
  160    H    ARG 544           H        ARG 544   7.016   9.319   4.373
  161    HA   ARG 544           HA       ARG 544   4.189   9.990   3.948
  162   1HB   ARG 544          2HB       ARG 544   4.385   9.878   1.599
  163   2HB   ARG 544          1HB       ARG 544   5.729  10.878   2.131
  164   1HG   ARG 544          2HG       ARG 544   6.777   8.326   2.127
  165   2HG   ARG 544          1HG       ARG 544   5.740   8.360   0.700
  166   1HD   ARG 544          2HD       ARG 544   8.045  10.168   1.373
  167   2HD   ARG 544          1HD       ARG 544   7.873   9.088  -0.008
  168    HE   ARG 544           HE       ARG 544   5.847  11.109   0.079
  169   1HH1  ARG 544          1HH1      ARG 544   9.126  10.424  -0.869
  170   2HH1  ARG 544          2HH1      ARG 544   9.165  11.647  -2.094
  171   1HH2  ARG 544          1HH2      ARG 544   5.886  12.724  -1.536
  172   2HH2  ARG 544          2HH2      ARG 544   7.323  12.954  -2.474
  173    H    THR 545           H        THR 545   2.853   8.278   3.216
  174    HA   THR 545           HA       THR 545   3.676   5.704   4.242
  175    HB   THR 545           HB       THR 545   1.259   5.196   3.142
  176    HG1  THR 545           1HG      THR 545  -0.029   7.066   3.442
  177   1HG2  THR 545          1HG2      THR 545   1.630   6.589   5.795
  178   2HG2  THR 545          2HG2      THR 545   1.975   4.885   5.506
  179   3HG2  THR 545          3HG2      THR 545   0.326   5.490   5.347
  180    H    PHE 546           H        PHE 546   3.843   3.799   3.057
  181    HA   PHE 546           HA       PHE 546   4.004   4.164   0.141
  182   1HB   PHE 546          2HB       PHE 546   5.768   2.357   0.230
  183   2HB   PHE 546          1HB       PHE 546   6.236   3.911   0.909
  184    HD1  PHE 546           1HD      PHE 546   5.968   0.414   1.477
  185    HD2  PHE 546           2HD      PHE 546   6.045   4.188   3.449
  186    HE1  PHE 546           1HE      PHE 546   6.582  -0.704   3.581
  187    HE2  PHE 546           2HE      PHE 546   6.660   3.071   5.557
  188    HZ   PHE 546           HZ       PHE 546   6.929   0.626   5.623
  189    H    PHE 547           H        PHE 547   4.220   1.758  -0.829
  190    HA   PHE 547           HA       PHE 547   2.010   0.176   0.309
  191   1HB   PHE 547          2HB       PHE 547   2.240   1.393  -2.315
  192   2HB   PHE 547          1HB       PHE 547   2.004  -0.348  -2.430
  193    HD1  PHE 547           1HD      PHE 547   0.587   2.764  -1.014
  194    HD2  PHE 547           2HD      PHE 547  -0.096  -1.310  -2.035
  195    HE1  PHE 547           1HE      PHE 547  -1.819   3.069  -0.603
  196    HE2  PHE 547           2HE      PHE 547  -2.505  -1.012  -1.629
  197    HZ   PHE 547           HZ       PHE 547  -3.370   1.179  -0.911
  198    H    ILE 548           H        ILE 548   2.496  -1.803   0.755
  199    HA   ILE 548           HA       ILE 548   5.050  -2.872  -0.079
  200    HB   ILE 548           HB       ILE 548   2.936  -3.905   1.806
  201   1HG1  ILE 548          2HG1      ILE 548   5.445  -3.492   3.046
  202   2HG1  ILE 548          1HG1      ILE 548   5.135  -2.075   2.041
  203   1HG2  ILE 548          1HG2      ILE 548   4.897  -5.474   2.480
  204   2HG2  ILE 548          2HG2      ILE 548   5.475  -5.161   0.843
  205   3HG2  ILE 548          3HG2      ILE 548   3.890  -5.893   1.093
  206   1HD1  ILE 548          1HD1      ILE 548   2.825  -2.920   3.608
  207   2HD1  ILE 548          2HD1      ILE 548   3.551  -1.324   3.414
  208   3HD1  ILE 548          3HD1      ILE 548   4.221  -2.460   4.584
  209    H    ASP 549           H        ASP 549   5.318  -4.810  -1.155
  210    HA   ASP 549           HA       ASP 549   2.979  -5.821  -2.623
  211   1HB   ASP 549          2HB       ASP 549   4.378  -4.377  -4.067
  212   2HB   ASP 549          1HB       ASP 549   5.756  -5.421  -3.752
  213    H    HIS 550           H        HIS 550   2.635  -7.886  -2.192
  214    HA   HIS 550           HA       HIS 550   4.694  -9.512  -0.988
  215   1HB   HIS 550          2HB       HIS 550   1.855 -10.233  -1.748
  216   2HB   HIS 550          1HB       HIS 550   2.930 -11.189  -0.733
  217    HD2  HIS 550           2HD      HIS 550   2.301  -7.332  -0.304
  218    HE1  HIS 550           1HE      HIS 550   0.999  -9.404   3.149
  219    HE2  HIS 550           2HE      HIS 550   1.522  -7.127   2.162
  220    H    ALA 551           H        ALA 551   3.159  -9.162  -4.099
  221    HA   ALA 551           HA       ALA 551   3.647 -11.571  -5.325
  222   1HB   ALA 551          1HB       ALA 551   4.185  -9.960  -7.378
  223   2HB   ALA 551          2HB       ALA 551   3.506  -8.768  -6.271
  224   3HB   ALA 551          3HB       ALA 551   2.553 -10.175  -6.744
  225    H    SER 552           H        SER 552   5.914  -8.922  -4.761
  226    HA   SER 552           HA       SER 552   8.111 -10.747  -5.473
  227   1HB   SER 552          2HB       SER 552   7.464  -8.391  -6.804
  228   2HB   SER 552          1HB       SER 552   8.802  -7.935  -5.750
  229    HG   SER 552           HG       SER 552  10.107  -9.313  -6.778
  230    H    ARG 553           H        ARG 553   6.656  -9.297  -2.944
  231    HA   ARG 553           HA       ARG 553   7.267  -8.778  -0.825
  232   1HB   ARG 553          2HB       ARG 553   9.717 -10.310  -1.681
  233   2HB   ARG 553          1HB       ARG 553   9.485  -9.713  -0.043
  234   1HG   ARG 553          2HG       ARG 553   7.619 -11.603  -1.461
  235   2HG   ARG 553          1HG       ARG 553   8.871 -12.084  -0.314
  236   1HD   ARG 553          2HD       ARG 553   7.657 -10.312   1.218
  237   2HD   ARG 553          1HD       ARG 553   6.295 -10.669   0.157
  238    HE   ARG 553           HE       ARG 553   6.073 -12.685   1.202
  239   1HH1  ARG 553          1HH1      ARG 553   9.268 -11.447   1.829
  240   2HH1  ARG 553          2HH1      ARG 553   9.676 -12.705   2.947
  241   1HH2  ARG 553          1HH2      ARG 553   6.598 -14.343   2.677
  242   2HH2  ARG 553          2HH2      ARG 553   8.158 -14.352   3.430
  243    H    ARG 554           H        ARG 554   7.280  -6.539  -1.867
  244    HA   ARG 554           HA       ARG 554   9.721  -5.220  -1.040
  245   1HB   ARG 554          2HB       ARG 554   8.711  -4.705  -3.831
  246   2HB   ARG 554          1HB       ARG 554  10.197  -4.129  -3.092
  247   1HG   ARG 554          2HG       ARG 554  10.977  -6.495  -2.986
  248   2HG   ARG 554          1HG       ARG 554   9.546  -6.947  -3.916
  249   1HD   ARG 554          2HD       ARG 554  11.333  -6.716  -5.462
  250   2HD   ARG 554          1HD       ARG 554  10.290  -5.310  -5.667
  251    HE   ARG 554           HE       ARG 554  12.242  -4.568  -3.858
  252   1HH1  ARG 554          1HH1      ARG 554  12.098  -5.653  -7.163
  253   2HH1  ARG 554          2HH1      ARG 554  13.520  -4.789  -7.645
  254   1HH2  ARG 554          1HH2      ARG 554  14.115  -3.425  -4.481
  255   2HH2  ARG 554          2HH2      ARG 554  14.667  -3.523  -6.119
  256    H    THR 555           H        THR 555   9.298  -2.713  -2.012
  257    HA   THR 555           HA       THR 555   6.552  -1.966  -1.340
  258    HB   THR 555           HB       THR 555   7.307  -0.211   0.218
  259    HG1  THR 555           1HG      THR 555   9.580  -0.650   1.026
  260   1HG2  THR 555          1HG2      THR 555   8.554  -2.477   1.550
  261   2HG2  THR 555          2HG2      THR 555   7.052  -2.917   0.739
  262   3HG2  THR 555          3HG2      THR 555   7.059  -1.624   1.937
  263    H    THR 556           H        THR 556   6.242   0.456  -1.659
  264    HA   THR 556           HA       THR 556   8.070   1.836  -3.370
  265    HB   THR 556           HB       THR 556   7.281   0.528  -5.155
  266    HG1  THR 556           1HG      THR 556   5.908   2.073  -6.315
  267   1HG2  THR 556          1HG2      THR 556   5.125  -0.055  -3.613
  268   2HG2  THR 556          2HG2      THR 556   5.245  -0.434  -5.330
  269   3HG2  THR 556          3HG2      THR 556   4.400   1.021  -4.805
  270    H    TRP 557           H        TRP 557   7.161   3.921  -4.139
  271    HA   TRP 557           HA       TRP 557   5.569   5.108  -2.025
  272   1HB   TRP 557          2HB       TRP 557   7.034   6.288  -4.385
  273   2HB   TRP 557          1HB       TRP 557   6.098   7.241  -3.242
  274    HD1  TRP 557           HD       TRP 557   9.487   6.760  -3.893
  275    HE1  TRP 557           1HE      TRP 557  10.964   6.841  -1.785
  276    HE3  TRP 557           3HE      TRP 557   5.876   6.031  -0.370
  277    HZ2  TRP 557           2HZ      TRP 557  10.631   6.626   1.010
  278    HZ3  TRP 557           3HZ      TRP 557   6.533   5.980   2.005
  279    HH2  TRP 557           HH       TRP 557   8.861   6.267   2.679
  280    H    ILE 558           H        ILE 558   4.524   3.382  -4.430
  281    HA   ILE 558           HA       ILE 558   2.393   5.286  -5.139
  282    HB   ILE 558           HB       ILE 558   3.448   3.122  -6.949
  283   1HG1  ILE 558          2HG1      ILE 558   5.049   5.057  -6.345
  284   2HG1  ILE 558          1HG1      ILE 558   4.785   4.708  -8.053
  285   1HG2  ILE 558          1HG2      ILE 558   1.246   3.594  -7.578
  286   2HG2  ILE 558          2HG2      ILE 558   2.229   4.584  -8.657
  287   3HG2  ILE 558          3HG2      ILE 558   1.432   5.321  -7.267
  288   1HD1  ILE 558          1HD1      ILE 558   3.975   6.743  -8.428
  289   2HD1  ILE 558          2HD1      ILE 558   4.589   7.164  -6.829
  290   3HD1  ILE 558          3HD1      ILE 558   2.908   6.665  -7.025
  291    H    ASP 559           H        ASP 559   0.309   4.472  -5.409
  292    HA   ASP 559           HA       ASP 559  -0.164   1.918  -4.047
  293   1HB   ASP 559          2HB       ASP 559  -2.182   4.092  -4.606
  294   2HB   ASP 559          1HB       ASP 559  -2.343   2.742  -3.487
  295    HA   PRO 560           HA       PRO 560  -1.057   0.251  -8.148
  296   1HB   PRO 560          2HB       PRO 560  -2.381  -1.981  -7.050
  297   2HB   PRO 560          1HB       PRO 560  -0.700  -1.905  -7.579
  298   1HG   PRO 560          2HG       PRO 560  -1.829  -1.734  -4.846
  299   2HG   PRO 560          1HG       PRO 560  -0.248  -2.316  -5.386
  300   1HD   PRO 560          2HD       PRO 560  -0.587   0.057  -4.137
  301   2HD   PRO 560          1HD       PRO 560   0.686  -0.218  -5.343
  302    H    ARG 561           H        ARG 561  -3.300   0.745  -5.518
  303    HA   ARG 561           HA       ARG 561  -5.696   0.221  -6.903
  304   1HB   ARG 561          2HB       ARG 561  -6.665   1.826  -5.125
  305   2HB   ARG 561          1HB       ARG 561  -5.928   0.325  -4.584
  306   1HG   ARG 561          2HG       ARG 561  -4.106   1.382  -3.675
  307   2HG   ARG 561          1HG       ARG 561  -4.260   2.786  -4.732
  308   1HD   ARG 561          2HD       ARG 561  -5.200   3.813  -2.990
  309   2HD   ARG 561          1HD       ARG 561  -6.613   2.814  -3.309
  310    HE   ARG 561           HE       ARG 561  -5.137   1.222  -1.729
  311   1HH1  ARG 561          1HH1      ARG 561  -6.112   4.553  -1.443
  312   2HH1  ARG 561          2HH1      ARG 561  -6.137   4.532   0.289
  313   1HH2  ARG 561          1HH2      ARG 561  -5.168   1.181   0.551
  314   2HH2  ARG 561          2HH2      ARG 561  -5.603   2.614   1.422
  315    H    ASN 562           H        ASN 562  -3.595   3.005  -6.780
  316    HA   ASN 562           HA       ASN 562  -5.357   4.345  -8.719
  317   1HB   ASN 562          2HB       ASN 562  -3.625   5.912  -6.830
  318   2HB   ASN 562          1HB       ASN 562  -5.037   6.445  -7.736
  319   1HD2  ASN 562          1HD2      ASN 562  -4.037   5.980  -4.756
  320   2HD2  ASN 562          2HD2      ASN 562  -5.492   5.460  -3.986
  321    H    GLY 563           H        GLY 563  -2.080   4.854  -7.398
  322   1HA   GLY 563          2HA       GLY 563  -0.175   4.179  -8.839
  323   2HA   GLY 563          1HA       GLY 563  -1.092   4.839 -10.185
  324    H    ARG 564           H        ARG 564  -0.770   6.291  -6.986
  325    HA   ARG 564           HA       ARG 564   0.971   8.366  -8.123
  326   1HB   ARG 564          2HB       ARG 564  -1.524   8.884  -6.495
  327   2HB   ARG 564          1HB       ARG 564  -0.364  10.109  -6.992
  328   1HG   ARG 564          2HG       ARG 564  -1.195  10.231  -9.069
  329   2HG   ARG 564          1HG       ARG 564  -1.430   8.486  -9.187
  330   1HD   ARG 564          2HD       ARG 564  -3.302   9.192  -7.326
  331   2HD   ARG 564          1HD       ARG 564  -3.303  10.594  -8.396
  332    HE   ARG 564           HE       ARG 564  -4.411   8.054  -8.949
  333   1HH1  ARG 564          1HH1      ARG 564  -2.634  10.642 -10.453
  334   2HH1  ARG 564          2HH1      ARG 564  -3.245  10.314 -12.040
  335   1HH2  ARG 564          1HH2      ARG 564  -5.221   7.610 -11.035
  336   2HH2  ARG 564          2HH2      ARG 564  -4.717   8.591 -12.371
  337    H    ALA 565           H        ALA 565   1.731   9.885  -6.295
  338    HA   ALA 565           HA       ALA 565   3.191   8.342  -4.455
  339   1HB   ALA 565          1HB       ALA 565   3.503  10.805  -5.424
  340   2HB   ALA 565          2HB       ALA 565   4.276  10.262  -3.935
  341   3HB   ALA 565          3HB       ALA 565   2.791  11.212  -3.861
  342    H    SER 566           H        SER 566   2.702   7.570  -2.510
  343    HA   SER 566           HA       SER 566   0.151   8.322  -1.304
  344   1HB   SER 566          2HB       SER 566   0.251   6.014  -1.307
  345   2HB   SER 566          1HB       SER 566   1.997   5.983  -1.056
  346    HG   SER 566           HG       SER 566   1.043   5.361   0.847
  347   1H    THR 227          1HT       THR 227  16.604   9.449   1.896
  348   2H    THR 227          2HT       THR 227  17.393   9.310   0.407
  349   3H    THR 227          3HT       THR 227  17.026   7.922   1.301
  350    HA   THR 227           HA       THR 227  15.064   9.772   0.076
  351    HB   THR 227           HB       THR 227  14.562   7.364  -1.046
  352    HG1  THR 227           1HG      THR 227  16.245   6.116  -0.800
  353   1HG2  THR 227          1HG2      THR 227  16.633   9.271  -2.130
  354   2HG2  THR 227          2HG2      THR 227  14.898   9.585  -2.156
  355   3HG2  THR 227          3HG2      THR 227  15.561   8.217  -3.050
  356    H    GLY 228           H        GLY 228  14.993   6.318   0.864
  357   1HA   GLY 228          2HA       GLY 228  13.863   5.854   3.127
  358   2HA   GLY 228          1HA       GLY 228  12.573   6.841   2.461
  359    H    LEU 229           H        LEU 229  11.003   5.293   2.408
  360    HA   LEU 229           HA       LEU 229   9.750   3.622   1.513
  361   1HB   LEU 229          2HB       LEU 229  10.582   4.501  -0.646
  362   2HB   LEU 229          1HB       LEU 229  11.953   3.414  -0.541
  363    HG   LEU 229           HG       LEU 229  10.079   1.571  -0.375
  364   1HD1  LEU 229          1HD1      LEU 229   8.426   3.677  -0.500
  365   2HD1  LEU 229          2HD1      LEU 229   8.007   2.078  -1.113
  366   3HD1  LEU 229          3HD1      LEU 229   8.585   3.322  -2.220
  367   1HD2  LEU 229          1HD2      LEU 229  11.546   2.800  -2.539
  368   2HD2  LEU 229          2HD2      LEU 229  10.031   2.097  -3.102
  369   3HD2  LEU 229          3HD2      LEU 229  11.199   1.098  -2.237
  370    HA   PRO 230           HA       PRO 230  12.684   0.746   3.851
  371   1HB   PRO 230          2HB       PRO 230  10.038   0.254   5.134
  372   2HB   PRO 230          1HB       PRO 230  11.638   0.391   5.872
  373   1HG   PRO 230          2HG       PRO 230   9.883   2.386   6.055
  374   2HG   PRO 230          1HG       PRO 230  11.611   2.710   5.818
  375   1HD   PRO 230          2HD       PRO 230   9.366   2.863   3.858
  376   2HD   PRO 230          1HD       PRO 230  10.817   3.875   3.996
  377    H    SER 231           H        SER 231  13.037  -1.140   2.877
  378    HA   SER 231           HA       SER 231  11.304  -2.275   0.994
  379   1HB   SER 231          2HB       SER 231  12.886  -4.378   1.594
  380   2HB   SER 231          1HB       SER 231  13.415  -3.032   0.585
  381    HG   SER 231           HG       SER 231  14.157  -3.723   3.159
  382    H    TYR 232           H        TYR 232  10.070  -4.150   1.011
  383    HA   TYR 232           HA       TYR 232   8.553  -4.567   3.374
  384   1HB   TYR 232          2HB       TYR 232   7.482  -4.773   1.233
  385   2HB   TYR 232          1HB       TYR 232   8.625  -6.008   0.722
  386    HD1  TYR 232           1HD      TYR 232   6.533  -7.264   0.097
  387    HD2  TYR 232           2HD      TYR 232   7.516  -6.342   4.132
  388    HE1  TYR 232           1HE      TYR 232   4.990  -9.020   0.870
  389    HE2  TYR 232           2HE      TYR 232   5.975  -8.091   4.915
  390    HH   TYR 232           HH       TYR 232   4.098  -9.355   4.186
  391    H    ASP 233           H        ASP 233  10.334  -5.149   4.809
  392    HA   ASP 233           HA       ASP 233  10.420  -7.909   5.322
  393   1HB   ASP 233          2HB       ASP 233  11.931  -7.999   3.403
  394   2HB   ASP 233          1HB       ASP 233  12.955  -6.763   4.131
  395    H    GLU 234           H        GLU 234  12.034  -4.795   5.712
  396    HA   GLU 234           HA       GLU 234  12.466  -5.456   8.551
  397   1HB   GLU 234          2HB       GLU 234  14.182  -3.467   8.295
  398   2HB   GLU 234          1HB       GLU 234  14.625  -5.110   7.853
  399   1HG   GLU 234          2HG       GLU 234  14.397  -4.665   5.556
  400   2HG   GLU 234          1HG       GLU 234  13.543  -3.151   5.855
  401    H    ALA 235           H        ALA 235  10.118  -4.225   7.122
  402    HA   ALA 235           HA       ALA 235   9.818  -1.968   8.948
  403   1HB   ALA 235          1HB       ALA 235   8.600  -0.957   6.716
  404   2HB   ALA 235          2HB       ALA 235  10.032  -1.736   6.043
  405   3HB   ALA 235          3HB       ALA 235  10.203  -0.506   7.297
  406    H    LEU 236           H        LEU 236   8.665  -4.308   9.448
  407    HA   LEU 236           HA       LEU 236   5.859  -3.699   9.215
  408   1HB   LEU 236          2HB       LEU 236   7.064  -5.541   7.398
  409   2HB   LEU 236          1HB       LEU 236   6.017  -6.440   8.480
  410    HG   LEU 236           HG       LEU 236   5.062  -3.999   7.002
  411   1HD1  LEU 236          1HD1      LEU 236   4.196  -6.568   5.947
  412   2HD1  LEU 236          2HD1      LEU 236   5.925  -6.286   5.748
  413   3HD1  LEU 236          3HD1      LEU 236   4.763  -5.127   5.102
  414   1HD2  LEU 236          1HD2      LEU 236   3.925  -5.260   9.067
  415   2HD2  LEU 236          2HD2      LEU 236   3.308  -6.257   7.749
  416   3HD2  LEU 236          3HD2      LEU 236   2.995  -4.521   7.763
  417    H    HIS 237           H        HIS 237   5.458  -3.752  11.341
  418    HA   HIS 237           HA       HIS 237   6.443  -6.037  12.903
  419   1HB   HIS 237          2HB       HIS 237   5.293  -3.452  13.963
  420   2HB   HIS 237          1HB       HIS 237   6.161  -4.685  14.870
  421    HD1  HIS 237           1HD      HIS 237   7.188  -1.846  15.003
  422    HD2  HIS 237           2HD      HIS 237   8.454  -4.582  12.144
  423    HE1  HIS 237           1HE      HIS 237   9.436  -1.023  14.236
  424    HE2  HIS 237           2HE      HIS 237  10.151  -2.655  12.454
  Start of MODEL   23
    1   1H    GLY 521          1HT       GLY 521 -17.369  -0.063 -15.232
    2   2H    GLY 521          2HT       GLY 521 -18.650   0.920 -15.739
    3   3H    GLY 521          3HT       GLY 521 -18.187   0.906 -14.111
    4   1HA   GLY 521          2HA       GLY 521 -16.428   2.263 -14.420
    5   2HA   GLY 521          1HA       GLY 521 -17.428   2.805 -15.760
    6    HA   PRO 522           HA       PRO 522 -14.250   1.734 -18.607
    7   1HB   PRO 522          2HB       PRO 522 -12.377   3.676 -18.329
    8   2HB   PRO 522          1HB       PRO 522 -13.955   3.967 -19.068
    9   1HG   PRO 522          2HG       PRO 522 -13.031   4.554 -16.282
   10   2HG   PRO 522          1HG       PRO 522 -14.003   5.558 -17.374
   11   1HD   PRO 522          2HD       PRO 522 -15.092   4.096 -15.367
   12   2HD   PRO 522          1HD       PRO 522 -15.948   4.422 -16.888
   13    H    LEU 523           H        LEU 523 -13.363  -0.190 -17.950
   14    HA   LEU 523           HA       LEU 523 -11.873  -1.660 -17.055
   15   1HB   LEU 523          2HB       LEU 523  -9.951   0.659 -17.008
   16   2HB   LEU 523          1HB       LEU 523  -9.570  -1.046 -17.154
   17    HG   LEU 523           HG       LEU 523 -11.287   0.002 -19.299
   18   1HD1  LEU 523          1HD1      LEU 523  -9.507   1.818 -18.630
   19   2HD1  LEU 523          2HD1      LEU 523  -9.822   1.431 -20.321
   20   3HD1  LEU 523          3HD1      LEU 523  -8.414   0.749 -19.507
   21   1HD2  LEU 523          1HD2      LEU 523 -10.078  -1.478 -20.620
   22   2HD2  LEU 523          2HD2      LEU 523 -10.115  -2.283 -19.051
   23   3HD2  LEU 523          3HD2      LEU 523  -8.665  -1.420 -19.566
   24    H    GLY 524           H        GLY 524 -13.512  -0.938 -15.135
   25   1HA   GLY 524          2HA       GLY 524 -12.434  -1.535 -12.758
   26   2HA   GLY 524          1HA       GLY 524 -12.068   0.180 -12.875
   27    H    SER 525           H        SER 525 -13.935  -1.571 -11.176
   28    HA   SER 525           HA       SER 525 -16.296   0.157 -11.500
   29   1HB   SER 525          2HB       SER 525 -16.453  -2.692 -10.516
   30   2HB   SER 525          1HB       SER 525 -17.775  -1.640 -11.023
   31    HG   SER 525           HG       SER 525 -15.961  -3.097 -12.557
   32    H    GLY 526           H        GLY 526 -14.249   0.916  -9.861
   33   1HA   GLY 526          2HA       GLY 526 -15.552   0.763  -7.253
   34   2HA   GLY 526          1HA       GLY 526 -13.887   0.209  -7.337
   35    H    GLU 527           H        GLU 527 -13.530   1.922  -5.745
   36    HA   GLU 527           HA       GLU 527 -12.723   4.367  -7.087
   37   1HB   GLU 527          2HB       GLU 527 -15.159   4.358  -5.816
   38   2HB   GLU 527          1HB       GLU 527 -14.087   4.953  -4.557
   39   1HG   GLU 527          2HG       GLU 527 -13.328   6.377  -6.800
   40   2HG   GLU 527          1HG       GLU 527 -15.083   6.277  -6.929
   41    H    GLU 528           H        GLU 528 -12.963   2.639  -3.995
   42    HA   GLU 528           HA       GLU 528 -10.191   3.451  -3.431
   43   1HB   GLU 528          2HB       GLU 528 -12.606   3.821  -1.787
   44   2HB   GLU 528          1HB       GLU 528 -11.234   3.136  -0.929
   45   1HG   GLU 528          2HG       GLU 528  -9.904   5.085  -1.977
   46   2HG   GLU 528          1HG       GLU 528 -11.491   5.802  -2.252
   47    H    GLU 529           H        GLU 529  -9.660   1.372  -4.370
   48    HA   GLU 529           HA       GLU 529 -10.607  -1.062  -3.289
   49   1HB   GLU 529          2HB       GLU 529  -9.666  -1.106  -5.472
   50   2HB   GLU 529          1HB       GLU 529  -8.174  -0.365  -4.919
   51   1HG   GLU 529          2HG       GLU 529  -7.761  -2.672  -5.341
   52   2HG   GLU 529          1HG       GLU 529  -7.705  -2.408  -3.598
   53    HA   PRO 530           HA       PRO 530  -8.240  -0.902   0.512
   54   1HB   PRO 530          2HB       PRO 530  -8.902  -3.362   1.431
   55   2HB   PRO 530          1HB       PRO 530 -10.010  -1.985   1.504
   56   1HG   PRO 530          2HG       PRO 530  -9.907  -4.234  -0.467
   57   2HG   PRO 530          1HG       PRO 530 -11.317  -3.491   0.311
   58   1HD   PRO 530          2HD       PRO 530 -10.554  -2.895  -2.221
   59   2HD   PRO 530          1HD       PRO 530 -11.348  -1.718  -1.156
   60    H    LEU 531           H        LEU 531  -6.404  -1.086  -1.252
   61    HA   LEU 531           HA       LEU 531  -4.372  -1.962  -1.779
   62   1HB   LEU 531          2HB       LEU 531  -4.622  -4.041   0.342
   63   2HB   LEU 531          1HB       LEU 531  -3.222  -3.099  -0.134
   64    HG   LEU 531           HG       LEU 531  -5.574  -2.083   1.464
   65   1HD1  LEU 531          1HD1      LEU 531  -3.764  -3.681   2.471
   66   2HD1  LEU 531          2HD1      LEU 531  -4.293  -2.249   3.356
   67   3HD1  LEU 531          3HD1      LEU 531  -2.772  -2.223   2.463
   68   1HD2  LEU 531          1HD2      LEU 531  -4.560  -0.393  -0.043
   69   2HD2  LEU 531          2HD2      LEU 531  -3.009  -0.674   0.747
   70   3HD2  LEU 531          3HD2      LEU 531  -4.362  -0.019   1.669
   71    HA   PRO 532           HA       PRO 532  -5.643  -5.095  -4.683
   72   1HB   PRO 532          2HB       PRO 532  -2.688  -5.475  -4.856
   73   2HB   PRO 532          1HB       PRO 532  -3.877  -5.293  -6.149
   74   1HG   PRO 532          2HG       PRO 532  -2.319  -3.261  -5.482
   75   2HG   PRO 532          1HG       PRO 532  -4.029  -2.991  -5.864
   76   1HD   PRO 532          2HD       PRO 532  -2.663  -3.023  -3.209
   77   2HD   PRO 532          1HD       PRO 532  -4.014  -2.020  -3.770
   78    HA   PRO 533           HA       PRO 533  -5.314  -9.164  -3.081
   79   1HB   PRO 533          2HB       PRO 533  -3.663 -10.172  -5.293
   80   2HB   PRO 533          1HB       PRO 533  -5.279 -10.661  -4.781
   81   1HG   PRO 533          2HG       PRO 533  -4.910  -9.247  -7.014
   82   2HG   PRO 533          1HG       PRO 533  -6.308  -8.949  -5.964
   83   1HD   PRO 533          2HD       PRO 533  -3.752  -7.409  -6.203
   84   2HD   PRO 533          1HD       PRO 533  -5.416  -6.810  -6.044
   85    H    ARG 534           H        ARG 534  -2.274  -7.775  -3.887
   86    HA   ARG 534           HA       ARG 534  -1.045  -9.478  -1.838
   87   1HB   ARG 534          2HB       ARG 534   0.019  -9.020  -4.620
   88   2HB   ARG 534          1HB       ARG 534   1.010  -9.635  -3.304
   89   1HG   ARG 534          2HG       ARG 534  -1.546 -10.966  -4.140
   90   2HG   ARG 534          1HG       ARG 534   0.007 -11.341  -4.888
   91   1HD   ARG 534          2HD       ARG 534   0.910 -11.926  -2.677
   92   2HD   ARG 534          1HD       ARG 534  -0.663 -11.587  -1.959
   93    HE   ARG 534           HE       ARG 534   0.103 -13.938  -3.423
   94   1HH1  ARG 534          1HH1      ARG 534  -2.555 -11.925  -2.425
   95   2HH1  ARG 534          2HH1      ARG 534  -3.727 -13.197  -2.528
   96   1HH2  ARG 534          1HH2      ARG 534  -1.431 -15.622  -3.562
   97   2HH2  ARG 534          2HH2      ARG 534  -3.087 -15.300  -3.174
   98    H    TRP 535           H        TRP 535  -1.848  -6.932  -1.330
   99    HA   TRP 535           HA       TRP 535   0.740  -5.637  -0.926
  100   1HB   TRP 535          2HB       TRP 535  -1.661  -4.281  -2.133
  101   2HB   TRP 535          1HB       TRP 535  -0.231  -3.429  -1.556
  102    HD1  TRP 535           HD       TRP 535  -1.068  -6.213  -4.131
  103    HE1  TRP 535           1HE      TRP 535   0.497  -5.919  -6.148
  104    HE3  TRP 535           3HE      TRP 535   1.745  -2.317  -2.395
  105    HZ2  TRP 535           2HZ      TRP 535   2.656  -4.245  -6.899
  106    HZ3  TRP 535           3HZ      TRP 535   3.543  -1.430  -3.821
  107    HH2  TRP 535           HH       TRP 535   3.990  -2.376  -6.027
  108    H    SER 536           H        SER 536   0.553  -3.728   0.565
  109    HA   SER 536           HA       SER 536  -1.659  -3.856   2.453
  110   1HB   SER 536          2HB       SER 536   0.846  -5.145   2.939
  111   2HB   SER 536          1HB       SER 536   0.700  -3.787   4.043
  112    HG   SER 536           HG       SER 536  -1.479  -4.673   4.476
  113    H    MET 537           H        MET 537  -0.454  -2.343   4.476
  114    HA   MET 537           HA       MET 537   0.436   0.105   3.131
  115   1HB   MET 537          2HB       MET 537  -1.901  -0.162   5.009
  116   2HB   MET 537          1HB       MET 537  -1.119   1.381   4.685
  117   1HG   MET 537          2HG       MET 537  -1.566   0.754   2.196
  118   2HG   MET 537          1HG       MET 537  -2.774  -0.325   2.891
  119   1HE   MET 537          1HE       MET 537  -5.565   1.107   2.974
  120   2HE   MET 537          2HE       MET 537  -5.234   1.650   4.619
  121   3HE   MET 537          3HE       MET 537  -4.583   0.113   4.051
  122    H    GLN 538           H        GLN 538   1.749   1.442   4.349
  123    HA   GLN 538           HA       GLN 538   2.183   1.063   7.142
  124   1HB   GLN 538          2HB       GLN 538   3.389  -0.906   6.205
  125   2HB   GLN 538          1HB       GLN 538   4.415   0.194   5.296
  126   1HG   GLN 538          2HG       GLN 538   5.689  -0.335   7.157
  127   2HG   GLN 538          1HG       GLN 538   4.987   1.229   7.568
  128   1HE2  GLN 538          1HE2      GLN 538   5.954  -1.164   9.152
  129   2HE2  GLN 538          2HE2      GLN 538   4.664  -1.488  10.254
  130    H    VAL 539           H        VAL 539   2.844   2.943   7.963
  131    HA   VAL 539           HA       VAL 539   3.555   5.099   6.184
  132    HB   VAL 539           HB       VAL 539   3.441   5.113   9.204
  133   1HG1  VAL 539          1HG1      VAL 539   2.821   7.624   8.380
  134   2HG1  VAL 539          2HG1      VAL 539   4.001   7.143   7.159
  135   3HG1  VAL 539          3HG1      VAL 539   4.433   7.101   8.868
  136   1HG2  VAL 539          1HG2      VAL 539   1.203   5.499   9.149
  137   2HG2  VAL 539          2HG2      VAL 539   1.328   4.531   7.679
  138   3HG2  VAL 539          3HG2      VAL 539   1.267   6.290   7.575
  139    H    ALA 540           H        ALA 540   5.535   5.707   5.657
  140    HA   ALA 540           HA       ALA 540   7.800   4.465   7.003
  141   1HB   ALA 540          1HB       ALA 540   7.335   5.712   4.357
  142   2HB   ALA 540          2HB       ALA 540   8.220   4.247   4.784
  143   3HB   ALA 540          3HB       ALA 540   8.964   5.828   5.027
  144    HA   PRO 541           HA       PRO 541   8.846   7.966   9.486
  145   1HB   PRO 541          2HB       PRO 541  11.607   7.732   9.331
  146   2HB   PRO 541          1HB       PRO 541  10.577   6.868  10.475
  147   1HG   PRO 541          2HG       PRO 541  11.739   5.935   7.888
  148   2HG   PRO 541          1HG       PRO 541  11.520   5.048   9.409
  149   1HD   PRO 541          2HD       PRO 541   9.876   4.682   7.319
  150   2HD   PRO 541          1HD       PRO 541   9.277   4.635   8.991
  151    H    ASN 542           H        ASN 542  10.070   7.496   6.272
  152    HA   ASN 542           HA       ASN 542  11.497   9.808   5.803
  153   1HB   ASN 542          2HB       ASN 542  11.253   7.962   4.182
  154   2HB   ASN 542          1HB       ASN 542   9.579   8.432   3.907
  155   1HD2  ASN 542          1HD2      ASN 542  10.071   8.703   1.702
  156   2HD2  ASN 542          2HD2      ASN 542  10.898  10.110   1.139
  157    H    GLY 543           H        GLY 543   7.984   9.312   5.710
  158   1HA   GLY 543          2HA       GLY 543   6.932  11.467   6.710
  159   2HA   GLY 543          1HA       GLY 543   7.618  12.194   5.267
  160    H    ARG 544           H        ARG 544   6.919   9.370   4.028
  161    HA   ARG 544           HA       ARG 544   4.055   9.910   3.667
  162   1HB   ARG 544          2HB       ARG 544   4.184   9.698   1.316
  163   2HB   ARG 544          1HB       ARG 544   5.471  10.804   1.774
  164   1HG   ARG 544          2HG       ARG 544   5.934   7.871   1.328
  165   2HG   ARG 544          1HG       ARG 544   6.043   9.069   0.037
  166   1HD   ARG 544          2HD       ARG 544   7.550  10.049   2.214
  167   2HD   ARG 544          1HD       ARG 544   7.988   8.355   2.005
  168    HE   ARG 544           HE       ARG 544   8.962   8.874  -0.014
  169   1HH1  ARG 544          1HH1      ARG 544   7.121  11.602   1.133
  170   2HH1  ARG 544          2HH1      ARG 544   7.749  12.690  -0.059
  171   1HH2  ARG 544          1HH2      ARG 544   9.794  10.301  -1.585
  172   2HH2  ARG 544          2HH2      ARG 544   9.266  11.950  -1.605
  173    H    THR 545           H        THR 545   2.751   8.145   3.137
  174    HA   THR 545           HA       THR 545   3.607   5.666   4.269
  175    HB   THR 545           HB       THR 545   1.311   4.994   3.000
  176    HG1  THR 545           1HG      THR 545  -0.034   6.778   2.913
  177   1HG2  THR 545          1HG2      THR 545   1.447   6.551   5.587
  178   2HG2  THR 545          2HG2      THR 545   1.793   4.829   5.419
  179   3HG2  THR 545          3HG2      THR 545   0.169   5.437   5.097
  180    H    PHE 546           H        PHE 546   3.941   3.697   3.241
  181    HA   PHE 546           HA       PHE 546   4.303   3.858   0.329
  182   1HB   PHE 546          2HB       PHE 546   6.168   2.213   0.633
  183   2HB   PHE 546          1HB       PHE 546   6.482   3.809   1.302
  184    HD1  PHE 546           1HD      PHE 546   6.397   0.319   1.942
  185    HD2  PHE 546           2HD      PHE 546   6.075   4.132   3.812
  186    HE1  PHE 546           1HE      PHE 546   6.917  -0.710   4.114
  187    HE2  PHE 546           2HE      PHE 546   6.600   3.103   5.988
  188    HZ   PHE 546           HZ       PHE 546   7.020   0.684   6.141
  189    H    PHE 547           H        PHE 547   3.912   1.957  -0.872
  190    HA   PHE 547           HA       PHE 547   2.004   0.159   0.437
  191   1HB   PHE 547          2HB       PHE 547   2.201   1.351  -2.196
  192   2HB   PHE 547          1HB       PHE 547   1.982  -0.393  -2.297
  193    HD1  PHE 547           1HD      PHE 547   0.579   2.635  -0.653
  194    HD2  PHE 547           2HD      PHE 547  -0.141  -1.298  -2.109
  195    HE1  PHE 547           1HE      PHE 547  -1.827   2.920  -0.222
  196    HE2  PHE 547           2HE      PHE 547  -2.549  -1.019  -1.684
  197    HZ   PHE 547           HZ       PHE 547  -3.394   1.093  -0.739
  198    H    ILE 548           H        ILE 548   2.475  -1.826   0.901
  199    HA   ILE 548           HA       ILE 548   5.022  -2.935   0.103
  200    HB   ILE 548           HB       ILE 548   2.849  -4.045   1.885
  201   1HG1  ILE 548          2HG1      ILE 548   5.293  -3.484   3.240
  202   2HG1  ILE 548          1HG1      ILE 548   4.872  -2.065   2.284
  203   1HG2  ILE 548          1HG2      ILE 548   5.056  -5.398   2.606
  204   2HG2  ILE 548          2HG2      ILE 548   5.382  -5.191   0.884
  205   3HG2  ILE 548          3HG2      ILE 548   3.902  -5.991   1.411
  206   1HD1  ILE 548          1HD1      ILE 548   2.712  -3.296   3.883
  207   2HD1  ILE 548          2HD1      ILE 548   3.050  -1.600   3.538
  208   3HD1  ILE 548          3HD1      ILE 548   3.992  -2.456   4.759
  209    H    ASP 549           H        ASP 549   5.317  -4.772  -1.082
  210    HA   ASP 549           HA       ASP 549   2.991  -5.775  -2.580
  211   1HB   ASP 549          2HB       ASP 549   4.353  -4.404  -4.042
  212   2HB   ASP 549          1HB       ASP 549   5.804  -5.283  -3.577
  213    H    HIS 550           H        HIS 550   2.585  -7.818  -2.062
  214    HA   HIS 550           HA       HIS 550   4.631  -9.502  -0.911
  215   1HB   HIS 550          2HB       HIS 550   1.761 -10.162  -1.599
  216   2HB   HIS 550          1HB       HIS 550   2.840 -11.134  -0.604
  217    HD2  HIS 550           2HD      HIS 550   2.285  -7.267  -0.174
  218    HE1  HIS 550           1HE      HIS 550   1.027  -9.311   3.313
  219    HE2  HIS 550           2HE      HIS 550   1.238  -7.047   2.189
  220    H    ALA 551           H        ALA 551   3.077  -9.065  -3.982
  221    HA   ALA 551           HA       ALA 551   3.485 -11.507  -5.211
  222   1HB   ALA 551          1HB       ALA 551   4.103  -9.180  -6.896
  223   2HB   ALA 551          2HB       ALA 551   2.567  -9.090  -6.032
  224   3HB   ALA 551          3HB       ALA 551   2.897 -10.449  -7.109
  225    H    SER 552           H        SER 552   5.761  -8.898  -4.606
  226    HA   SER 552           HA       SER 552   7.939 -10.682  -5.465
  227   1HB   SER 552          2HB       SER 552   7.245  -8.195  -6.607
  228   2HB   SER 552          1HB       SER 552   8.720  -7.922  -5.679
  229    HG   SER 552           HG       SER 552   9.406  -9.984  -6.817
  230    H    ARG 553           H        ARG 553   6.551  -9.245  -2.859
  231    HA   ARG 553           HA       ARG 553   7.224  -8.830  -0.734
  232   1HB   ARG 553          2HB       ARG 553   9.680 -10.303  -1.690
  233   2HB   ARG 553          1HB       ARG 553   9.421  -9.816  -0.021
  234   1HG   ARG 553          2HG       ARG 553   7.749 -11.737  -1.622
  235   2HG   ARG 553          1HG       ARG 553   8.822 -12.124  -0.276
  236   1HD   ARG 553          2HD       ARG 553   7.211 -10.263   0.861
  237   2HD   ARG 553          1HD       ARG 553   6.095 -11.022  -0.273
  238    HE   ARG 553           HE       ARG 553   6.038 -12.833   1.104
  239   1HH1  ARG 553          1HH1      ARG 553   8.971 -11.064   1.732
  240   2HH1  ARG 553          2HH1      ARG 553   9.456 -12.078   3.049
  241   1HH2  ARG 553          1HH2      ARG 553   6.668 -14.178   2.837
  242   2HH2  ARG 553          2HH2      ARG 553   8.146 -13.849   3.677
  243    H    ARG 554           H        ARG 554   7.239  -6.560  -1.813
  244    HA   ARG 554           HA       ARG 554   9.667  -5.263  -0.917
  245   1HB   ARG 554          2HB       ARG 554   8.727  -4.780  -3.741
  246   2HB   ARG 554          1HB       ARG 554  10.159  -4.127  -2.961
  247   1HG   ARG 554          2HG       ARG 554  11.048  -6.442  -2.789
  248   2HG   ARG 554          1HG       ARG 554   9.664  -6.989  -3.737
  249   1HD   ARG 554          2HD       ARG 554  11.647  -6.665  -5.136
  250   2HD   ARG 554          1HD       ARG 554  10.346  -5.564  -5.587
  251    HE   ARG 554           HE       ARG 554  11.679  -3.803  -4.986
  252   1HH1  ARG 554          1HH1      ARG 554  12.998  -6.736  -3.649
  253   2HH1  ARG 554          2HH1      ARG 554  14.463  -5.985  -3.112
  254   1HH2  ARG 554          1HH2      ARG 554  13.606  -2.806  -4.282
  255   2HH2  ARG 554          2HH2      ARG 554  14.809  -3.752  -3.470
  256    H    THR 555           H        THR 555   9.258  -2.739  -1.938
  257    HA   THR 555           HA       THR 555   6.511  -2.001  -1.252
  258    HB   THR 555           HB       THR 555   7.292  -0.211   0.266
  259    HG1  THR 555           1HG      THR 555   9.562  -0.449  -0.715
  260   1HG2  THR 555          1HG2      THR 555   6.528  -2.290   1.247
  261   2HG2  THR 555          2HG2      THR 555   7.899  -1.677   2.171
  262   3HG2  THR 555          3HG2      THR 555   8.122  -3.011   1.038
  263    H    THR 556           H        THR 556   6.365   0.542  -1.428
  264    HA   THR 556           HA       THR 556   8.102   1.849  -3.252
  265    HB   THR 556           HB       THR 556   7.242   0.596  -5.024
  266    HG1  THR 556           1HG      THR 556   6.421   2.190  -6.210
  267   1HG2  THR 556          1HG2      THR 556   5.421  -0.647  -4.679
  268   2HG2  THR 556          2HG2      THR 556   4.454   0.797  -4.981
  269   3HG2  THR 556          3HG2      THR 556   4.915   0.375  -3.332
  270    H    TRP 557           H        TRP 557   7.223   3.964  -3.970
  271    HA   TRP 557           HA       TRP 557   5.671   5.153  -1.815
  272   1HB   TRP 557          2HB       TRP 557   7.149   6.376  -4.150
  273   2HB   TRP 557          1HB       TRP 557   6.285   7.300  -2.928
  274    HD1  TRP 557           HD       TRP 557   9.645   6.634  -3.702
  275    HE1  TRP 557           1HE      TRP 557  11.165   6.559  -1.623
  276    HE3  TRP 557           3HE      TRP 557   6.064   6.050  -0.124
  277    HZ2  TRP 557           2HZ      TRP 557  10.871   6.286   1.174
  278    HZ3  TRP 557           3HZ      TRP 557   6.759   5.889   2.234
  279    HH2  TRP 557           HH       TRP 557   9.114   6.003   2.868
  280    H    ILE 558           H        ILE 558   4.524   3.473  -4.142
  281    HA   ILE 558           HA       ILE 558   2.431   5.418  -4.833
  282    HB   ILE 558           HB       ILE 558   3.513   3.354  -6.740
  283   1HG1  ILE 558          2HG1      ILE 558   5.063   5.304  -6.068
  284   2HG1  ILE 558          1HG1      ILE 558   4.799   5.017  -7.787
  285   1HG2  ILE 558          1HG2      ILE 558   1.458   3.718  -7.602
  286   2HG2  ILE 558          2HG2      ILE 558   2.239   5.150  -8.273
  287   3HG2  ILE 558          3HG2      ILE 558   1.277   5.278  -6.801
  288   1HD1  ILE 558          1HD1      ILE 558   3.508   7.142  -6.092
  289   2HD1  ILE 558          2HD1      ILE 558   3.116   6.826  -7.783
  290   3HD1  ILE 558          3HD1      ILE 558   4.733   7.373  -7.339
  291    H    ASP 559           H        ASP 559   0.359   4.574  -5.222
  292    HA   ASP 559           HA       ASP 559  -0.118   2.007  -3.897
  293   1HB   ASP 559          2HB       ASP 559  -2.291   3.938  -4.636
  294   2HB   ASP 559          1HB       ASP 559  -2.242   2.781  -3.311
  295    HA   PRO 560           HA       PRO 560  -0.586   0.360  -8.084
  296   1HB   PRO 560          2HB       PRO 560  -1.760  -2.003  -7.056
  297   2HB   PRO 560          1HB       PRO 560  -0.092  -1.777  -7.577
  298   1HG   PRO 560          2HG       PRO 560  -1.216  -1.829  -4.857
  299   2HG   PRO 560          1HG       PRO 560   0.434  -2.138  -5.408
  300   1HD   PRO 560          2HD       PRO 560  -0.317   0.113  -4.068
  301   2HD   PRO 560          1HD       PRO 560   1.056   0.047  -5.188
  302    H    ARG 561           H        ARG 561  -3.048   0.467  -5.580
  303    HA   ARG 561           HA       ARG 561  -5.242  -0.160  -7.261
  304   1HB   ARG 561          2HB       ARG 561  -6.639   0.666  -5.455
  305   2HB   ARG 561          1HB       ARG 561  -5.351  -0.341  -4.811
  306   1HG   ARG 561          2HG       ARG 561  -4.408   1.362  -3.681
  307   2HG   ARG 561          1HG       ARG 561  -4.782   2.544  -4.936
  308   1HD   ARG 561          2HD       ARG 561  -6.456   3.278  -3.673
  309   2HD   ARG 561          1HD       ARG 561  -7.250   1.721  -3.893
  310    HE   ARG 561           HE       ARG 561  -5.545   1.246  -1.858
  311   1HH1  ARG 561          1HH1      ARG 561  -7.926   3.718  -2.442
  312   2HH1  ARG 561          2HH1      ARG 561  -8.290   3.947  -0.763
  313   1HH2  ARG 561          1HH2      ARG 561  -6.016   1.535   0.354
  314   2HH2  ARG 561          2HH2      ARG 561  -7.202   2.705   0.828
  315    H    ASN 562           H        ASN 562  -3.340   2.669  -6.893
  316    HA   ASN 562           HA       ASN 562  -5.255   4.143  -8.567
  317   1HB   ASN 562          2HB       ASN 562  -3.516   5.634  -6.637
  318   2HB   ASN 562          1HB       ASN 562  -5.058   6.106  -7.342
  319   1HD2  ASN 562          1HD2      ASN 562  -3.664   5.365  -4.545
  320   2HD2  ASN 562          2HD2      ASN 562  -4.996   4.666  -3.694
  321    H    GLY 563           H        GLY 563  -1.943   4.584  -7.313
  322   1HA   GLY 563          2HA       GLY 563  -0.050   4.234  -8.829
  323   2HA   GLY 563          1HA       GLY 563  -1.050   4.904 -10.110
  324    H    ARG 564           H        ARG 564  -0.834   6.193  -6.848
  325    HA   ARG 564           HA       ARG 564   0.731   8.464  -7.859
  326   1HB   ARG 564          2HB       ARG 564  -1.621   8.819  -6.009
  327   2HB   ARG 564          1HB       ARG 564  -0.724  10.061  -6.872
  328   1HG   ARG 564          2HG       ARG 564  -2.529   9.966  -8.223
  329   2HG   ARG 564          1HG       ARG 564  -1.598   8.663  -8.965
  330   1HD   ARG 564          2HD       ARG 564  -2.987   7.050  -8.195
  331   2HD   ARG 564          1HD       ARG 564  -3.322   7.907  -6.690
  332    HE   ARG 564           HE       ARG 564  -5.141   8.885  -7.688
  333   1HH1  ARG 564          1HH1      ARG 564  -3.138   7.409 -10.124
  334   2HH1  ARG 564          2HH1      ARG 564  -4.289   7.644 -11.397
  335   1HH2  ARG 564          1HH2      ARG 564  -6.662   9.202  -9.355
  336   2HH2  ARG 564          2HH2      ARG 564  -6.294   8.665 -10.960
  337    H    ALA 565           H        ALA 565   1.557   9.853  -6.049
  338    HA   ALA 565           HA       ALA 565   3.141   8.396  -4.310
  339   1HB   ALA 565          1HB       ALA 565   2.846  10.842  -3.051
  340   2HB   ALA 565          2HB       ALA 565   2.520  11.193  -4.748
  341   3HB   ALA 565          3HB       ALA 565   4.042  10.434  -4.282
  342    H    SER 566           H        SER 566   2.330   6.978  -2.884
  343    HA   SER 566           HA       SER 566  -0.139   7.247  -1.551
  344   1HB   SER 566          2HB       SER 566   0.948   5.070  -1.888
  345   2HB   SER 566          1HB       SER 566   2.256   5.547  -0.807
  346    HG   SER 566           HG       SER 566   0.995   4.622   0.619
  347   1H    THR 227          1HT       THR 227  13.240   9.367  -1.225
  348   2H    THR 227          2HT       THR 227  13.057   7.830  -1.906
  349   3H    THR 227          3HT       THR 227  14.238   8.883  -2.503
  350    HA   THR 227           HA       THR 227  15.082   7.064  -1.044
  351    HB   THR 227           HB       THR 227  16.394   9.098  -1.481
  352    HG1  THR 227           1HG      THR 227  17.713   8.197  -0.103
  353   1HG2  THR 227          1HG2      THR 227  14.454  10.271   0.285
  354   2HG2  THR 227          2HG2      THR 227  15.659  11.062  -0.731
  355   3HG2  THR 227          3HG2      THR 227  16.081  10.551   0.903
  356    H    GLY 228           H        GLY 228  15.060   6.064   0.913
  357   1HA   GLY 228          2HA       GLY 228  14.643   5.907   3.239
  358   2HA   GLY 228          1HA       GLY 228  13.588   7.306   3.119
  359    H    LEU 229           H        LEU 229  13.353   4.631   0.886
  360    HA   LEU 229           HA       LEU 229  10.639   4.134   1.816
  361   1HB   LEU 229          2HB       LEU 229  10.897   4.387  -0.553
  362   2HB   LEU 229          1HB       LEU 229  12.175   3.192  -0.600
  363    HG   LEU 229           HG       LEU 229  10.123   1.719   0.423
  364   1HD1  LEU 229          1HD1      LEU 229   8.705   3.044  -1.784
  365   2HD1  LEU 229          2HD1      LEU 229   8.814   3.974  -0.290
  366   3HD1  LEU 229          3HD1      LEU 229   8.088   2.366  -0.277
  367   1HD2  LEU 229          1HD2      LEU 229   9.840   1.310  -2.255
  368   2HD2  LEU 229          2HD2      LEU 229  11.108   0.603  -1.254
  369   3HD2  LEU 229          3HD2      LEU 229  11.428   2.072  -2.176
  370    HA   PRO 230           HA       PRO 230  12.371   0.675   4.175
  371   1HB   PRO 230          2HB       PRO 230   9.607   0.381   5.126
  372   2HB   PRO 230          1HB       PRO 230  11.080   0.700   6.048
  373   1HG   PRO 230          2HG       PRO 230   9.193   2.582   5.708
  374   2HG   PRO 230          1HG       PRO 230  10.919   2.987   5.769
  375   1HD   PRO 230          2HD       PRO 230   9.125   2.703   3.381
  376   2HD   PRO 230          1HD       PRO 230  10.348   3.942   3.727
  377    H    SER 231           H        SER 231  12.726  -0.873   2.641
  378    HA   SER 231           HA       SER 231  10.897  -1.999   0.900
  379   1HB   SER 231          2HB       SER 231  13.219  -3.467   2.165
  380   2HB   SER 231          1HB       SER 231  12.467  -3.811   0.609
  381    HG   SER 231           HG       SER 231  14.433  -2.587   0.459
  382    H    TYR 232           H        TYR 232   9.997  -4.186   0.900
  383    HA   TYR 232           HA       TYR 232   8.514  -4.643   3.316
  384   1HB   TYR 232          2HB       TYR 232   7.386  -4.866   1.198
  385   2HB   TYR 232          1HB       TYR 232   8.546  -6.073   0.656
  386    HD1  TYR 232           1HD      TYR 232   6.392  -7.320   0.122
  387    HD2  TYR 232           2HD      TYR 232   7.640  -6.478   4.099
  388    HE1  TYR 232           1HE      TYR 232   4.917  -9.103   0.959
  389    HE2  TYR 232           2HE      TYR 232   6.170  -8.258   4.946
  390    HH   TYR 232           HH       TYR 232   3.928  -9.949   2.833
  391    H    ASP 233           H        ASP 233  10.324  -5.139   4.679
  392    HA   ASP 233           HA       ASP 233  10.610  -7.834   5.263
  393   1HB   ASP 233          2HB       ASP 233  11.922  -8.067   3.239
  394   2HB   ASP 233          1HB       ASP 233  12.936  -6.700   3.692
  395    H    GLU 234           H        GLU 234  12.112  -4.660   5.291
  396    HA   GLU 234           HA       GLU 234  13.017  -5.130   8.051
  397   1HB   GLU 234          2HB       GLU 234  14.555  -3.252   7.714
  398   2HB   GLU 234          1HB       GLU 234  14.811  -4.508   6.509
  399   1HG   GLU 234          2HG       GLU 234  13.638  -3.224   4.849
  400   2HG   GLU 234          1HG       GLU 234  13.206  -2.005   6.048
  401    H    ALA 235           H        ALA 235  10.294  -4.301   6.962
  402    HA   ALA 235           HA       ALA 235   9.918  -2.075   8.822
  403   1HB   ALA 235          1HB       ALA 235   9.991  -1.651   6.088
  404   2HB   ALA 235          2HB       ALA 235   9.300  -0.571   7.299
  405   3HB   ALA 235          3HB       ALA 235   8.270  -1.732   6.462
  406    H    LEU 236           H        LEU 236   9.310  -4.890   8.996
  407    HA   LEU 236           HA       LEU 236   6.383  -4.708   9.245
  408   1HB   LEU 236          2HB       LEU 236   7.606  -6.308   7.422
  409   2HB   LEU 236          1HB       LEU 236   7.514  -7.394   8.796
  410    HG   LEU 236           HG       LEU 236   4.966  -6.275   8.628
  411   1HD1  LEU 236          1HD1      LEU 236   4.554  -7.109   6.152
  412   2HD1  LEU 236          2HD1      LEU 236   6.218  -6.559   5.954
  413   3HD1  LEU 236          3HD1      LEU 236   4.980  -5.436   6.513
  414   1HD2  LEU 236          1HD2      LEU 236   4.269  -8.480   8.269
  415   2HD2  LEU 236          2HD2      LEU 236   5.794  -8.639   9.141
  416   3HD2  LEU 236          3HD2      LEU 236   5.744  -8.899   7.397
  417    H    HIS 237           H        HIS 237   7.402  -3.963  11.412
  418    HA   HIS 237           HA       HIS 237   6.996  -6.085  13.286
  419   1HB   HIS 237          2HB       HIS 237   9.207  -5.913  14.387
  420   2HB   HIS 237          1HB       HIS 237   9.320  -6.563  12.754
  421    HD1  HIS 237           1HD      HIS 237  11.852  -5.458  13.833
  422    HD2  HIS 237           2HD      HIS 237   9.059  -3.063  11.902
  423    HE1  HIS 237           1HE      HIS 237  13.133  -3.452  13.021
  424    HE2  HIS 237           2HE      HIS 237  11.441  -2.065  11.774
  Start of MODEL   24
    1   1H    GLY 521          1HT       GLY 521 -28.907  10.960   6.131
    2   2H    GLY 521          2HT       GLY 521 -29.147   9.287   6.060
    3   3H    GLY 521          3HT       GLY 521 -28.067  10.033   4.993
    4   1HA   GLY 521          2HA       GLY 521 -26.762   8.981   6.648
    5   2HA   GLY 521          1HA       GLY 521 -27.764   9.667   7.918
    6    HA   PRO 522           HA       PRO 522 -24.803  12.888   8.472
    7   1HB   PRO 522          2HB       PRO 522 -22.451  11.089   8.213
    8   2HB   PRO 522          1HB       PRO 522 -22.896  12.177   9.532
    9   1HG   PRO 522          2HG       PRO 522 -23.190   9.541   9.784
   10   2HG   PRO 522          1HG       PRO 522 -24.387  10.663  10.457
   11   1HD   PRO 522          2HD       PRO 522 -24.530   8.995   7.981
   12   2HD   PRO 522          1HD       PRO 522 -25.805   9.387   9.154
   13    H    LEU 523           H        LEU 523 -22.483  13.693   7.558
   14    HA   LEU 523           HA       LEU 523 -22.938  14.315   4.848
   15   1HB   LEU 523          2HB       LEU 523 -21.100  15.065   6.909
   16   2HB   LEU 523          1HB       LEU 523 -20.196  14.725   5.446
   17    HG   LEU 523           HG       LEU 523 -20.953  17.137   5.850
   18   1HD1  LEU 523          1HD1      LEU 523 -20.328  15.805   3.611
   19   2HD1  LEU 523          2HD1      LEU 523 -20.755  17.516   3.635
   20   3HD1  LEU 523          3HD1      LEU 523 -21.969  16.311   3.207
   21   1HD2  LEU 523          1HD2      LEU 523 -23.527  16.387   4.582
   22   2HD2  LEU 523          2HD2      LEU 523 -23.133  17.749   5.629
   23   3HD2  LEU 523          3HD2      LEU 523 -23.369  16.144   6.322
   24    H    GLY 524           H        GLY 524 -21.268  11.705   6.384
   25   1HA   GLY 524          2HA       GLY 524 -20.395   9.776   5.478
   26   2HA   GLY 524          1HA       GLY 524 -20.961  10.321   3.907
   27    H    SER 525           H        SER 525 -18.420   9.049   4.722
   28    HA   SER 525           HA       SER 525 -16.662  10.891   3.325
   29   1HB   SER 525          2HB       SER 525 -16.589  10.906   6.075
   30   2HB   SER 525          1HB       SER 525 -15.322   9.746   5.672
   31    HG   SER 525           HG       SER 525 -14.236  11.573   5.499
   32    H    GLY 526           H        GLY 526 -14.281   9.628   3.555
   33   1HA   GLY 526          2HA       GLY 526 -14.835   7.107   2.184
   34   2HA   GLY 526          1HA       GLY 526 -13.307   7.973   2.187
   35    H    GLU 527           H        GLU 527 -12.987   5.416   2.527
   36    HA   GLU 527           HA       GLU 527 -12.159   5.186   5.302
   37   1HB   GLU 527          2HB       GLU 527 -13.189   3.000   5.629
   38   2HB   GLU 527          1HB       GLU 527 -14.416   4.218   5.307
   39   1HG   GLU 527          2HG       GLU 527 -15.171   3.091   3.561
   40   2HG   GLU 527          1HG       GLU 527 -13.558   2.996   2.855
   41    H    GLU 528           H        GLU 528 -10.679   5.539   2.937
   42    HA   GLU 528           HA       GLU 528  -8.788   4.757   1.942
   43   1HB   GLU 528          2HB       GLU 528  -9.015   3.186   4.397
   44   2HB   GLU 528          1HB       GLU 528  -8.140   2.346   3.123
   45   1HG   GLU 528          2HG       GLU 528  -6.392   3.775   3.186
   46   2HG   GLU 528          1HG       GLU 528  -7.395   5.162   3.603
   47    H    GLU 529           H        GLU 529  -7.991   3.073   0.491
   48    HA   GLU 529           HA       GLU 529 -10.218   1.504  -0.598
   49   1HB   GLU 529          2HB       GLU 529  -8.562   3.266  -1.864
   50   2HB   GLU 529          1HB       GLU 529  -7.763   1.736  -2.201
   51   1HG   GLU 529          2HG       GLU 529  -9.740   0.859  -3.228
   52   2HG   GLU 529          1HG       GLU 529 -10.667   2.281  -2.752
   53    HA   PRO 530           HA       PRO 530  -8.347  -2.233   0.957
   54   1HB   PRO 530          2HB       PRO 530  -9.681  -3.425  -1.422
   55   2HB   PRO 530          1HB       PRO 530  -9.770  -3.906   0.276
   56   1HG   PRO 530          2HG       PRO 530 -11.799  -2.627  -0.870
   57   2HG   PRO 530          1HG       PRO 530 -11.321  -2.256   0.798
   58   1HD   PRO 530          2HD       PRO 530 -10.800  -0.720  -1.714
   59   2HD   PRO 530          1HD       PRO 530 -11.184  -0.125  -0.085
   60    H    LEU 531           H        LEU 531  -6.266  -2.707   0.641
   61    HA   LEU 531           HA       LEU 531  -4.838  -2.201  -1.723
   62   1HB   LEU 531          2HB       LEU 531  -3.995  -4.283   0.273
   63   2HB   LEU 531          1HB       LEU 531  -2.985  -3.213  -0.682
   64    HG   LEU 531           HG       LEU 531  -4.685  -1.671   1.059
   65   1HD1  LEU 531          1HD1      LEU 531  -3.659  -4.123   2.183
   66   2HD1  LEU 531          2HD1      LEU 531  -4.718  -2.910   2.902
   67   3HD1  LEU 531          3HD1      LEU 531  -2.968  -2.711   2.982
   68   1HD2  LEU 531          1HD2      LEU 531  -2.209  -1.187   1.912
   69   2HD2  LEU 531          2HD2      LEU 531  -2.846  -0.517   0.412
   70   3HD2  LEU 531          3HD2      LEU 531  -1.821  -1.952   0.370
   71    HA   PRO 532           HA       PRO 532  -5.901  -5.440  -4.500
   72   1HB   PRO 532          2HB       PRO 532  -2.956  -5.635  -4.939
   73   2HB   PRO 532          1HB       PRO 532  -4.263  -5.511  -6.120
   74   1HG   PRO 532          2HG       PRO 532  -2.784  -3.394  -5.558
   75   2HG   PRO 532          1HG       PRO 532  -4.536  -3.229  -5.772
   76   1HD   PRO 532          2HD       PRO 532  -2.926  -3.214  -3.255
   77   2HD   PRO 532          1HD       PRO 532  -4.381  -2.287  -3.670
   78    HA   PRO 533           HA       PRO 533  -5.199  -9.509  -3.031
   79   1HB   PRO 533          2HB       PRO 533  -3.639 -10.402  -5.355
   80   2HB   PRO 533          1HB       PRO 533  -5.189 -10.977  -4.743
   81   1HG   PRO 533          2HG       PRO 533  -5.030  -9.521  -6.982
   82   2HG   PRO 533          1HG       PRO 533  -6.387  -9.334  -5.852
   83   1HD   PRO 533          2HD       PRO 533  -3.967  -7.611  -6.218
   84   2HD   PRO 533          1HD       PRO 533  -5.655  -7.138  -5.934
   85    H    ARG 534           H        ARG 534  -2.303  -7.933  -4.009
   86    HA   ARG 534           HA       ARG 534  -0.863  -9.535  -2.023
   87   1HB   ARG 534          2HB       ARG 534  -0.051  -9.139  -4.890
   88   2HB   ARG 534          1HB       ARG 534   1.128  -9.522  -3.642
   89   1HG   ARG 534          2HG       ARG 534  -1.304 -11.221  -4.037
   90   2HG   ARG 534          1HG       ARG 534   0.137 -11.439  -5.031
   91   1HD   ARG 534          2HD       ARG 534   1.478 -11.853  -3.067
   92   2HD   ARG 534          1HD       ARG 534   0.107 -11.502  -2.017
   93    HE   ARG 534           HE       ARG 534  -0.771 -13.547  -3.583
   94   1HH1  ARG 534          1HH1      ARG 534   1.997 -13.065  -1.525
   95   2HH1  ARG 534          2HH1      ARG 534   2.147 -14.739  -1.114
   96   1HH2  ARG 534          1HH2      ARG 534  -0.584 -15.757  -3.046
   97   2HH2  ARG 534          2HH2      ARG 534   0.678 -16.271  -1.978
   98    H    TRP 535           H        TRP 535  -1.732  -7.113  -1.389
   99    HA   TRP 535           HA       TRP 535   0.767  -5.616  -1.242
  100   1HB   TRP 535          2HB       TRP 535  -1.814  -4.448  -2.262
  101   2HB   TRP 535          1HB       TRP 535  -0.425  -3.484  -1.769
  102    HD1  TRP 535           HD       TRP 535  -1.259  -6.258  -4.344
  103    HE1  TRP 535           1HE      TRP 535   0.191  -5.867  -6.429
  104    HE3  TRP 535           3HE      TRP 535   1.497  -2.309  -2.655
  105    HZ2  TRP 535           2HZ      TRP 535   2.255  -4.097  -7.241
  106    HZ3  TRP 535           3HZ      TRP 535   3.192  -1.328  -4.141
  107    HH2  TRP 535           HH       TRP 535   3.562  -2.206  -6.387
  108    H    SER 536           H        SER 536   0.586  -3.719   0.232
  109    HA   SER 536           HA       SER 536  -1.442  -3.852   2.289
  110   1HB   SER 536          2HB       SER 536   1.343  -4.846   2.680
  111   2HB   SER 536          1HB       SER 536   0.622  -3.915   3.988
  112    HG   SER 536           HG       SER 536  -0.975  -5.417   4.184
  113    H    MET 537           H        MET 537  -0.341  -2.265   4.200
  114    HA   MET 537           HA       MET 537   0.948  -0.007   2.908
  115   1HB   MET 537          2HB       MET 537  -1.908  -0.054   3.641
  116   2HB   MET 537          1HB       MET 537  -1.019   1.369   4.171
  117   1HG   MET 537          2HG       MET 537  -0.352   0.769   1.453
  118   2HG   MET 537          1HG       MET 537  -2.103   0.852   1.638
  119   1HE   MET 537          1HE       MET 537  -2.926   4.385   2.480
  120   2HE   MET 537          2HE       MET 537  -2.647   3.271   3.819
  121   3HE   MET 537          3HE       MET 537  -3.420   2.698   2.342
  122    H    GLN 538           H        GLN 538   2.070   1.291   4.268
  123    HA   GLN 538           HA       GLN 538   1.686   1.386   7.081
  124   1HB   GLN 538          2HB       GLN 538   3.508  -0.642   5.995
  125   2HB   GLN 538          1HB       GLN 538   4.252   0.405   7.195
  126   1HG   GLN 538          2HG       GLN 538   1.599  -0.659   7.895
  127   2HG   GLN 538          1HG       GLN 538   2.902  -1.842   7.783
  128   1HE2  GLN 538          1HE2      GLN 538   4.352  -1.978   9.389
  129   2HE2  GLN 538          2HE2      GLN 538   4.386  -0.948  10.775
  130    H    VAL 539           H        VAL 539   2.793   3.095   7.983
  131    HA   VAL 539           HA       VAL 539   3.914   4.990   6.169
  132    HB   VAL 539           HB       VAL 539   4.025   5.100   9.185
  133   1HG1  VAL 539          1HG1      VAL 539   3.925   7.576   8.710
  134   2HG1  VAL 539          2HG1      VAL 539   4.217   7.177   7.017
  135   3HG1  VAL 539          3HG1      VAL 539   5.419   6.765   8.240
  136   1HG2  VAL 539          1HG2      VAL 539   1.903   6.633   7.936
  137   2HG2  VAL 539          2HG2      VAL 539   1.840   5.526   9.307
  138   3HG2  VAL 539          3HG2      VAL 539   1.722   4.900   7.663
  139    H    ALA 540           H        ALA 540   5.977   5.390   5.661
  140    HA   ALA 540           HA       ALA 540   8.030   3.646   6.766
  141   1HB   ALA 540          1HB       ALA 540   8.623   3.641   4.620
  142   2HB   ALA 540          2HB       ALA 540   9.236   5.274   4.878
  143   3HB   ALA 540          3HB       ALA 540   7.603   5.033   4.260
  144    HA   PRO 541           HA       PRO 541  10.082   6.664   9.235
  145   1HB   PRO 541          2HB       PRO 541  12.708   6.327   8.664
  146   2HB   PRO 541          1HB       PRO 541  11.771   5.137   9.576
  147   1HG   PRO 541          2HG       PRO 541  12.523   5.137   6.678
  148   2HG   PRO 541          1HG       PRO 541  12.552   3.799   7.841
  149   1HD   PRO 541          2HD       PRO 541  10.548   4.135   6.044
  150   2HD   PRO 541          1HD       PRO 541  10.290   3.411   7.644
  151    H    ASN 542           H        ASN 542  10.680   6.731   5.810
  152    HA   ASN 542           HA       ASN 542  12.196   9.043   5.546
  153   1HB   ASN 542          2HB       ASN 542  11.781   7.620   3.643
  154   2HB   ASN 542          1HB       ASN 542  10.048   7.908   3.745
  155   1HD2  ASN 542          1HD2      ASN 542   9.908   8.682   1.668
  156   2HD2  ASN 542          2HD2      ASN 542  10.536  10.222   1.201
  157    H    GLY 543           H        GLY 543   8.693   8.664   5.890
  158   1HA   GLY 543          2HA       GLY 543   7.865  10.642   7.329
  159   2HA   GLY 543          1HA       GLY 543   8.425  11.592   5.964
  160    H    ARG 544           H        ARG 544   7.457   9.086   4.318
  161    HA   ARG 544           HA       ARG 544   4.607   9.816   4.360
  162   1HB   ARG 544          2HB       ARG 544   4.519   9.795   1.962
  163   2HB   ARG 544          1HB       ARG 544   5.815  10.875   2.456
  164   1HG   ARG 544          2HG       ARG 544   7.076   8.439   2.161
  165   2HG   ARG 544          1HG       ARG 544   5.912   8.475   0.837
  166   1HD   ARG 544          2HD       ARG 544   7.318  11.002   1.207
  167   2HD   ARG 544          1HD       ARG 544   8.392   9.654   0.839
  168    HE   ARG 544           HE       ARG 544   6.398   9.418  -0.994
  169   1HH1  ARG 544          1HH1      ARG 544   8.553  11.990  -0.061
  170   2HH1  ARG 544          2HH1      ARG 544   8.582  12.712  -1.635
  171   1HH2  ARG 544          1HH2      ARG 544   6.430  10.360  -3.071
  172   2HH2  ARG 544          2HH2      ARG 544   7.374  11.785  -3.347
  173    H    THR 545           H        THR 545   3.152   8.228   3.475
  174    HA   THR 545           HA       THR 545   3.870   5.571   4.325
  175    HB   THR 545           HB       THR 545   1.457   5.128   3.355
  176    HG1  THR 545           1HG      THR 545   1.231   7.889   3.956
  177   1HG2  THR 545          1HG2      THR 545   2.059   6.700   5.862
  178   2HG2  THR 545          2HG2      THR 545   1.955   4.946   5.698
  179   3HG2  THR 545          3HG2      THR 545   0.505   5.936   5.524
  180    H    PHE 546           H        PHE 546   3.915   3.711   3.075
  181    HA   PHE 546           HA       PHE 546   4.056   4.148   0.170
  182   1HB   PHE 546          2HB       PHE 546   5.816   2.363   0.156
  183   2HB   PHE 546          1HB       PHE 546   6.299   3.855   0.952
  184    HD1  PHE 546           1HD      PHE 546   6.010   0.330   1.251
  185    HD2  PHE 546           2HD      PHE 546   6.075   3.941   3.509
  186    HE1  PHE 546           1HE      PHE 546   6.595  -0.950   3.268
  187    HE2  PHE 546           2HE      PHE 546   6.661   2.660   5.531
  188    HZ   PHE 546           HZ       PHE 546   6.924   0.217   5.411
  189    H    PHE 547           H        PHE 547   4.276   1.689  -0.799
  190    HA   PHE 547           HA       PHE 547   2.014   0.171   0.312
  191   1HB   PHE 547          2HB       PHE 547   2.379   1.283  -2.354
  192   2HB   PHE 547          1HB       PHE 547   2.080  -0.453  -2.399
  193    HD1  PHE 547           1HD      PHE 547  -0.089  -1.250  -2.257
  194    HD2  PHE 547           2HD      PHE 547   0.760   2.709  -0.948
  195    HE1  PHE 547           1HE      PHE 547  -2.496  -0.840  -1.949
  196    HE2  PHE 547           2HE      PHE 547  -1.644   3.126  -0.638
  197    HZ   PHE 547           HZ       PHE 547  -3.276   1.351  -1.138
  198    H    ILE 548           H        ILE 548   2.619  -1.759   0.970
  199    HA   ILE 548           HA       ILE 548   5.182  -2.828   0.230
  200    HB   ILE 548           HB       ILE 548   3.015  -3.811   2.074
  201   1HG1  ILE 548          2HG1      ILE 548   5.506  -3.395   3.357
  202   2HG1  ILE 548          1HG1      ILE 548   5.226  -2.005   2.310
  203   1HG2  ILE 548          1HG2      ILE 548   5.678  -5.090   1.466
  204   2HG2  ILE 548          2HG2      ILE 548   4.077  -5.790   1.224
  205   3HG2  ILE 548          3HG2      ILE 548   4.675  -5.498   2.858
  206   1HD1  ILE 548          1HD1      ILE 548   2.792  -2.406   3.558
  207   2HD1  ILE 548          2HD1      ILE 548   3.994  -1.178   3.954
  208   3HD1  ILE 548          3HD1      ILE 548   3.984  -2.715   4.819
  209    H    ASP 549           H        ASP 549   5.604  -4.216  -1.313
  210    HA   ASP 549           HA       ASP 549   3.412  -5.415  -2.817
  211   1HB   ASP 549          2HB       ASP 549   6.305  -5.700  -3.556
  212   2HB   ASP 549          1HB       ASP 549   4.895  -5.625  -4.604
  213    H    HIS 550           H        HIS 550   2.852  -7.490  -2.581
  214    HA   HIS 550           HA       HIS 550   4.552  -9.209  -0.937
  215   1HB   HIS 550          2HB       HIS 550   1.664  -9.345  -1.773
  216   2HB   HIS 550          1HB       HIS 550   2.479 -10.727  -1.048
  217    HD2  HIS 550           2HD      HIS 550   2.015  -6.937   0.002
  218    HE1  HIS 550           1HE      HIS 550   1.713  -9.465   3.383
  219    HE2  HIS 550           2HE      HIS 550   1.448  -7.092   2.530
  220    H    ALA 551           H        ALA 551   3.183  -9.011  -4.166
  221    HA   ALA 551           HA       ALA 551   3.601 -11.555  -5.123
  222   1HB   ALA 551          1HB       ALA 551   3.714  -8.865  -6.418
  223   2HB   ALA 551          2HB       ALA 551   2.534 -10.160  -6.619
  224   3HB   ALA 551          3HB       ALA 551   4.135 -10.305  -7.343
  225    H    SER 552           H        SER 552   5.959  -8.959  -4.723
  226    HA   SER 552           HA       SER 552   8.089 -10.924  -5.253
  227   1HB   SER 552          2HB       SER 552   7.561  -8.643  -6.767
  228   2HB   SER 552          1HB       SER 552   8.917  -8.183  -5.739
  229    HG   SER 552           HG       SER 552   9.822 -10.307  -6.467
  230    H    ARG 553           H        ARG 553   6.674  -9.228  -2.858
  231    HA   ARG 553           HA       ARG 553   7.305  -8.597  -0.769
  232   1HB   ARG 553          2HB       ARG 553   9.755 -10.194  -1.517
  233   2HB   ARG 553          1HB       ARG 553   9.459  -9.553   0.093
  234   1HG   ARG 553          2HG       ARG 553   7.172 -10.853  -0.215
  235   2HG   ARG 553          1HG       ARG 553   8.160 -11.807  -1.323
  236   1HD   ARG 553          2HD       ARG 553   9.638 -12.451   0.368
  237   2HD   ARG 553          1HD       ARG 553   9.093 -11.173   1.455
  238    HE   ARG 553           HE       ARG 553   7.028 -13.053   0.806
  239   1HH1  ARG 553          1HH1      ARG 553   9.747 -12.426   2.888
  240   2HH1  ARG 553          2HH1      ARG 553   9.178 -13.458   4.159
  241   1HH2  ARG 553          1HH2      ARG 553   6.270 -14.417   2.471
  242   2HH2  ARG 553          2HH2      ARG 553   7.202 -14.592   3.920
  243    H    ARG 554           H        ARG 554   7.337  -6.431  -1.820
  244    HA   ARG 554           HA       ARG 554   9.879  -5.145  -1.252
  245   1HB   ARG 554          2HB       ARG 554   8.512  -4.603  -3.883
  246   2HB   ARG 554          1HB       ARG 554  10.084  -4.028  -3.346
  247   1HG   ARG 554          2HG       ARG 554  11.002  -6.247  -3.489
  248   2HG   ARG 554          1HG       ARG 554   9.415  -6.913  -3.880
  249   1HD   ARG 554          2HD       ARG 554   9.386  -5.900  -5.993
  250   2HD   ARG 554          1HD       ARG 554  10.685  -4.785  -5.572
  251    HE   ARG 554           HE       ARG 554  10.952  -7.502  -6.502
  252   1HH1  ARG 554          1HH1      ARG 554  12.483  -4.854  -4.834
  253   2HH1  ARG 554          2HH1      ARG 554  14.090  -5.418  -5.147
  254   1HH2  ARG 554          1HH2      ARG 554  13.064  -8.251  -6.919
  255   2HH2  ARG 554          2HH2      ARG 554  14.421  -7.349  -6.333
  256    H    THR 555           H        THR 555   9.262  -2.627  -2.271
  257    HA   THR 555           HA       THR 555   6.654  -1.871  -1.237
  258    HB   THR 555           HB       THR 555   7.616  -0.132   0.267
  259    HG1  THR 555           1HG      THR 555   9.770  -0.147   0.720
  260   1HG2  THR 555          1HG2      THR 555   8.381  -2.971   0.968
  261   2HG2  THR 555          2HG2      THR 555   6.781  -2.260   1.170
  262   3HG2  THR 555          3HG2      THR 555   8.141  -1.649   2.109
  263    H    THR 556           H        THR 556   5.874  -0.011  -2.105
  264    HA   THR 556           HA       THR 556   7.696   1.633  -3.728
  265    HB   THR 556           HB       THR 556   6.486   0.053  -5.222
  266    HG1  THR 556           1HG      THR 556   7.038   1.980  -6.167
  267   1HG2  THR 556          1HG2      THR 556   4.213  -0.122  -5.334
  268   2HG2  THR 556          2HG2      THR 556   3.948   1.538  -4.803
  269   3HG2  THR 556          3HG2      THR 556   4.369   0.294  -3.627
  270    H    TRP 557           H        TRP 557   6.760   3.735  -4.302
  271    HA   TRP 557           HA       TRP 557   5.460   4.890  -1.993
  272   1HB   TRP 557          2HB       TRP 557   6.768   6.009  -4.456
  273   2HB   TRP 557          1HB       TRP 557   5.840   7.041  -3.370
  274    HD1  TRP 557           HD       TRP 557   9.248   6.418  -3.958
  275    HE1  TRP 557           1HE      TRP 557  10.691   6.568  -1.834
  276    HE3  TRP 557           3HE      TRP 557   5.553   6.081  -0.476
  277    HZ2  TRP 557           2HZ      TRP 557  10.303   6.558   0.971
  278    HZ3  TRP 557           3HZ      TRP 557   6.160   6.157   1.916
  279    HH2  TRP 557           HH       TRP 557   8.487   6.390   2.619
  280    H    ILE 558           H        ILE 558   4.769   4.439  -5.413
  281    HA   ILE 558           HA       ILE 558   2.228   5.809  -5.199
  282    HB   ILE 558           HB       ILE 558   3.285   4.259  -7.554
  283   1HG1  ILE 558          2HG1      ILE 558   4.816   6.103  -6.560
  284   2HG1  ILE 558          1HG1      ILE 558   4.471   6.143  -8.290
  285   1HG2  ILE 558          1HG2      ILE 558   1.818   6.464  -8.402
  286   2HG2  ILE 558          2HG2      ILE 558   0.905   5.815  -7.040
  287   3HG2  ILE 558          3HG2      ILE 558   1.299   4.778  -8.412
  288   1HD1  ILE 558          1HD1      ILE 558   4.311   8.361  -7.502
  289   2HD1  ILE 558          2HD1      ILE 558   3.314   7.879  -6.130
  290   3HD1  ILE 558          3HD1      ILE 558   2.655   7.809  -7.764
  291    H    ASP 559           H        ASP 559   0.372   4.888  -4.710
  292    HA   ASP 559           HA       ASP 559   0.164   2.137  -4.085
  293   1HB   ASP 559          2HB       ASP 559  -2.216   3.911  -4.556
  294   2HB   ASP 559          1HB       ASP 559  -2.026   2.604  -3.391
  295    HA   PRO 560           HA       PRO 560  -1.063   0.620  -8.062
  296   1HB   PRO 560          2HB       PRO 560  -1.833  -1.877  -7.288
  297   2HB   PRO 560          1HB       PRO 560  -0.149  -1.374  -7.439
  298   1HG   PRO 560          2HG       PRO 560  -1.717  -1.918  -5.024
  299   2HG   PRO 560          1HG       PRO 560   0.034  -1.825  -5.233
  300   1HD   PRO 560          2HD       PRO 560  -1.731   0.158  -4.147
  301   2HD   PRO 560          1HD       PRO 560   0.030   0.231  -4.324
  302    H    ARG 561           H        ARG 561  -3.265   0.667  -5.365
  303    HA   ARG 561           HA       ARG 561  -5.585  -0.332  -6.504
  304   1HB   ARG 561          2HB       ARG 561  -6.714   1.418  -4.944
  305   2HB   ARG 561          1HB       ARG 561  -5.772   0.113  -4.237
  306   1HG   ARG 561          2HG       ARG 561  -4.058   1.509  -3.607
  307   2HG   ARG 561          1HG       ARG 561  -4.440   2.710  -4.842
  308   1HD   ARG 561          2HD       ARG 561  -5.289   3.826  -3.068
  309   2HD   ARG 561          1HD       ARG 561  -6.697   2.821  -3.406
  310    HE   ARG 561           HE       ARG 561  -5.280   1.299  -1.693
  311   1HH1  ARG 561          1HH1      ARG 561  -6.331   4.618  -1.595
  312   2HH1  ARG 561          2HH1      ARG 561  -6.447   4.665   0.132
  313   1HH2  ARG 561          1HH2      ARG 561  -5.429   1.350   0.580
  314   2HH2  ARG 561          2HH2      ARG 561  -5.933   2.807   1.369
  315    H    ASN 562           H        ASN 562  -3.982   2.706  -7.024
  316    HA   ASN 562           HA       ASN 562  -5.857   3.301  -9.175
  317   1HB   ASN 562          2HB       ASN 562  -5.441   5.832  -8.155
  318   2HB   ASN 562          1HB       ASN 562  -6.912   4.885  -7.977
  319   1HD2  ASN 562          1HD2      ASN 562  -3.799   5.557  -6.450
  320   2HD2  ASN 562          2HD2      ASN 562  -4.342   5.315  -4.828
  321    H    GLY 563           H        GLY 563  -2.866   4.214  -7.497
  322   1HA   GLY 563          2HA       GLY 563  -0.809   4.133  -8.824
  323   2HA   GLY 563          1HA       GLY 563  -1.720   4.847 -10.145
  324    H    ARG 564           H        ARG 564  -1.898   5.847  -6.776
  325    HA   ARG 564           HA       ARG 564  -0.551   8.360  -7.514
  326   1HB   ARG 564          2HB       ARG 564  -2.856   8.125  -5.576
  327   2HB   ARG 564          1HB       ARG 564  -2.105   9.604  -6.162
  328   1HG   ARG 564          2HG       ARG 564  -3.014   9.326  -8.323
  329   2HG   ARG 564          1HG       ARG 564  -3.496   7.663  -7.983
  330   1HD   ARG 564          2HD       ARG 564  -5.439   9.087  -7.909
  331   2HD   ARG 564          1HD       ARG 564  -5.078   8.509  -6.283
  332    HE   ARG 564           HE       ARG 564  -3.810  10.877  -6.344
  333   1HH1  ARG 564          1HH1      ARG 564  -7.048   9.933  -7.211
  334   2HH1  ARG 564          2HH1      ARG 564  -7.743  11.467  -6.803
  335   1HH2  ARG 564          1HH2      ARG 564  -4.714  12.898  -5.804
  336   2HH2  ARG 564          2HH2      ARG 564  -6.415  13.152  -6.002
  337    H    ALA 565           H        ALA 565   0.781   9.301  -5.986
  338    HA   ALA 565           HA       ALA 565   2.149   7.602  -4.240
  339   1HB   ALA 565          1HB       ALA 565   3.357   9.448  -4.976
  340   2HB   ALA 565          2HB       ALA 565   3.031   9.827  -3.285
  341   3HB   ALA 565          3HB       ALA 565   2.071  10.580  -4.559
  342    H    SER 566           H        SER 566   1.529   6.771  -2.369
  343    HA   SER 566           HA       SER 566  -0.795   7.364  -0.997
  344   1HB   SER 566          2HB       SER 566   1.066   5.437  -0.750
  345   2HB   SER 566          1HB       SER 566   1.494   6.428   0.644
  346    HG   SER 566           HG       SER 566  -0.754   6.277   1.258
  347   1H    THR 227          1HT       THR 227  15.302  10.427   1.423
  348   2H    THR 227          2HT       THR 227  13.806  11.186   1.644
  349   3H    THR 227          3HT       THR 227  14.609  11.315   0.161
  350    HA   THR 227           HA       THR 227  12.649   9.620   0.551
  351    HB   THR 227           HB       THR 227  13.665   9.963  -1.606
  352    HG1  THR 227           1HG      THR 227  14.038   7.200  -1.130
  353   1HG2  THR 227          1HG2      THR 227  15.981   8.325  -0.567
  354   2HG2  THR 227          2HG2      THR 227  16.007  10.054  -0.917
  355   3HG2  THR 227          3HG2      THR 227  15.788   8.892  -2.226
  356    H    GLY 228           H        GLY 228  12.397   7.313   0.796
  357   1HA   GLY 228          2HA       GLY 228  14.543   5.900   2.180
  358   2HA   GLY 228          1HA       GLY 228  13.060   6.165   3.085
  359    H    LEU 229           H        LEU 229  11.116   5.162   2.357
  360    HA   LEU 229           HA       LEU 229   9.934   3.333   1.700
  361   1HB   LEU 229          2HB       LEU 229   9.845   4.197  -0.448
  362   2HB   LEU 229          1HB       LEU 229  11.567   4.028  -0.708
  363    HG   LEU 229           HG       LEU 229  10.271   1.446  -0.381
  364   1HD1  LEU 229          1HD1      LEU 229   8.883   3.422  -1.963
  365   2HD1  LEU 229          2HD1      LEU 229   8.410   1.775  -1.551
  366   3HD1  LEU 229          3HD1      LEU 229   9.433   2.074  -2.957
  367   1HD2  LEU 229          1HD2      LEU 229  12.239   1.149  -1.421
  368   2HD2  LEU 229          2HD2      LEU 229  12.256   2.786  -2.077
  369   3HD2  LEU 229          3HD2      LEU 229  11.325   1.523  -2.883
  370    HA   PRO 230           HA       PRO 230  12.990   0.299   3.242
  371   1HB   PRO 230          2HB       PRO 230  10.444  -1.067   3.926
  372   2HB   PRO 230          1HB       PRO 230  11.846  -0.731   4.946
  373   1HG   PRO 230          2HG       PRO 230   9.583   0.647   5.236
  374   2HG   PRO 230          1HG       PRO 230  11.162   1.439   5.396
  375   1HD   PRO 230          2HD       PRO 230   9.243   1.481   3.098
  376   2HD   PRO 230          1HD       PRO 230  10.232   2.797   3.765
  377    H    SER 231           H        SER 231  11.768  -2.403   3.184
  378    HA   SER 231           HA       SER 231  11.040  -2.892   0.444
  379   1HB   SER 231          2HB       SER 231  13.609  -2.646   0.522
  380   2HB   SER 231          1HB       SER 231  13.594  -4.195   1.368
  381    HG   SER 231           HG       SER 231  12.191  -3.907  -1.050
  382    H    TYR 232           H        TYR 232   9.510  -3.424   2.536
  383    HA   TYR 232           HA       TYR 232   8.355  -5.048   3.639
  384   1HB   TYR 232          2HB       TYR 232   8.458  -5.858   1.152
  385   2HB   TYR 232          1HB       TYR 232   9.535  -7.093   1.789
  386    HD1  TYR 232           1HD      TYR 232   8.213  -7.593   4.437
  387    HD2  TYR 232           2HD      TYR 232   6.569  -7.092   0.544
  388    HE1  TYR 232           1HE      TYR 232   6.264  -8.938   5.093
  389    HE2  TYR 232           2HE      TYR 232   4.616  -8.436   1.190
  390    HH   TYR 232           HH       TYR 232   4.357  -9.890   4.419
  391    H    ASP 233           H        ASP 233  10.263  -4.490   5.208
  392    HA   ASP 233           HA       ASP 233  10.946  -6.857   6.564
  393   1HB   ASP 233          2HB       ASP 233  12.735  -6.202   4.468
  394   2HB   ASP 233          1HB       ASP 233  13.558  -5.822   5.978
  395    H    GLU 234           H        GLU 234  11.870  -3.499   5.943
  396    HA   GLU 234           HA       GLU 234  12.354  -3.128   8.817
  397   1HB   GLU 234          2HB       GLU 234  12.990  -1.144   6.641
  398   2HB   GLU 234          1HB       GLU 234  13.636  -1.207   8.274
  399   1HG   GLU 234          2HG       GLU 234  15.169  -2.789   7.759
  400   2HG   GLU 234          1HG       GLU 234  14.134  -3.559   6.558
  401    H    ALA 235           H        ALA 235   9.758  -3.398   8.413
  402    HA   ALA 235           HA       ALA 235   8.673  -0.914   9.240
  403   1HB   ALA 235          1HB       ALA 235   8.238  -1.741   6.396
  404   2HB   ALA 235          2HB       ALA 235   8.623  -0.149   7.050
  405   3HB   ALA 235          3HB       ALA 235   7.007  -0.821   7.263
  406    H    LEU 236           H        LEU 236   7.794  -3.955   7.607
  407    HA   LEU 236           HA       LEU 236   5.275  -4.215   8.863
  408   1HB   LEU 236          2HB       LEU 236   6.877  -5.698   7.008
  409   2HB   LEU 236          1HB       LEU 236   6.265  -6.792   8.234
  410    HG   LEU 236           HG       LEU 236   4.265  -4.948   7.099
  411   1HD1  LEU 236          1HD1      LEU 236   5.997  -6.049   5.283
  412   2HD1  LEU 236          2HD1      LEU 236   4.338  -5.550   4.951
  413   3HD1  LEU 236          3HD1      LEU 236   4.691  -7.233   5.343
  414   1HD2  LEU 236          1HD2      LEU 236   4.461  -7.747   8.068
  415   2HD2  LEU 236          2HD2      LEU 236   3.186  -7.357   6.913
  416   3HD2  LEU 236          3HD2      LEU 236   3.278  -6.496   8.449
  417    H    HIS 237           H        HIS 237   5.316  -4.050  11.058
  418    HA   HIS 237           HA       HIS 237   6.924  -6.050  12.507
  419   1HB   HIS 237          2HB       HIS 237   6.520  -3.196  12.946
  420   2HB   HIS 237          1HB       HIS 237   6.158  -4.152  14.379
  421    HD1  HIS 237           1HD      HIS 237   8.107  -4.991  15.711
  422    HD2  HIS 237           2HD      HIS 237   9.230  -3.547  11.980
  423    HE1  HIS 237           1HE      HIS 237  10.621  -4.969  15.727
  424    HE2  HIS 237           2HE      HIS 237  11.281  -4.104  13.454
  Start of MODEL   25
    1   1H    GLY 521          1HT       GLY 521 -16.603  -0.911   0.073
    2   2H    GLY 521          2HT       GLY 521 -17.513  -2.328   0.221
    3   3H    GLY 521          3HT       GLY 521 -15.844  -2.419  -0.034
    4   1HA   GLY 521          1HA       GLY 521 -15.416  -2.329   2.120
    5   2HA   GLY 521          2HA       GLY 521 -16.357  -0.852   2.255
    6    HA   PRO 522           HA       PRO 522 -19.614  -4.394   2.896
    7   1HB   PRO 522          2HB       PRO 522 -18.560  -6.914   3.157
    8   2HB   PRO 522          1HB       PRO 522 -19.213  -6.265   1.650
    9   1HG   PRO 522          2HG       PRO 522 -16.369  -6.455   2.558
   10   2HG   PRO 522          1HG       PRO 522 -17.058  -6.775   0.955
   11   1HD   PRO 522          2HD       PRO 522 -15.771  -4.481   1.508
   12   2HD   PRO 522          1HD       PRO 522 -17.171  -4.525   0.417
   13    H    LEU 523           H        LEU 523 -16.463  -4.332   4.339
   14    HA   LEU 523           HA       LEU 523 -17.477  -5.324   6.892
   15   1HB   LEU 523          2HB       LEU 523 -14.874  -5.144   5.607
   16   2HB   LEU 523          1HB       LEU 523 -14.835  -4.556   7.259
   17    HG   LEU 523           HG       LEU 523 -15.925  -7.259   6.484
   18   1HD1  LEU 523          1HD1      LEU 523 -13.396  -7.200   7.920
   19   2HD1  LEU 523          2HD1      LEU 523 -13.290  -6.506   6.302
   20   3HD1  LEU 523          3HD1      LEU 523 -13.883  -8.153   6.519
   21   1HD2  LEU 523          1HD2      LEU 523 -15.493  -5.791   9.033
   22   2HD2  LEU 523          2HD2      LEU 523 -15.254  -7.538   9.016
   23   3HD2  LEU 523          3HD2      LEU 523 -16.812  -6.856   8.551
   24    H    GLY 524           H        GLY 524 -18.340  -2.748   5.776
   25   1HA   GLY 524          2HA       GLY 524 -18.845  -0.665   6.606
   26   2HA   GLY 524          1HA       GLY 524 -18.182  -1.200   8.143
   27    H    SER 525           H        SER 525 -17.220  -0.044   4.930
   28    HA   SER 525           HA       SER 525 -14.817   1.130   6.163
   29   1HB   SER 525          2HB       SER 525 -14.519  -0.569   4.297
   30   2HB   SER 525          1HB       SER 525 -15.235   0.624   3.214
   31    HG   SER 525           HG       SER 525 -12.896   0.973   4.786
   32    H    GLY 526           H        GLY 526 -14.081   3.011   4.421
   33   1HA   GLY 526          2HA       GLY 526 -16.425   4.787   4.150
   34   2HA   GLY 526          1HA       GLY 526 -14.928   5.356   4.874
   35    H    GLU 527           H        GLU 527 -13.172   5.842   3.571
   36    HA   GLU 527           HA       GLU 527 -13.597   5.620   0.670
   37   1HB   GLU 527          2HB       GLU 527 -12.654   8.068   2.171
   38   2HB   GLU 527          1HB       GLU 527 -12.596   7.893   0.422
   39   1HG   GLU 527          2HG       GLU 527 -15.155   7.632   1.962
   40   2HG   GLU 527          1HG       GLU 527 -14.545   9.190   1.407
   41    H    GLU 528           H        GLU 528 -12.152   3.838   0.715
   42    HA   GLU 528           HA       GLU 528  -9.414   4.582   0.365
   43   1HB   GLU 528          2HB       GLU 528  -9.952   4.164   2.951
   44   2HB   GLU 528          1HB       GLU 528  -9.687   2.495   2.466
   45   1HG   GLU 528          2HG       GLU 528  -7.479   2.774   2.250
   46   2HG   GLU 528          1HG       GLU 528  -7.649   4.369   1.517
   47    H    GLU 529           H        GLU 529  -9.335   3.600  -1.584
   48    HA   GLU 529           HA       GLU 529 -10.586   1.247  -2.347
   49   1HB   GLU 529          2HB       GLU 529  -9.446   2.946  -3.833
   50   2HB   GLU 529          1HB       GLU 529  -7.922   2.175  -3.413
   51   1HG   GLU 529          2HG       GLU 529  -8.231   0.632  -4.961
   52   2HG   GLU 529          1HG       GLU 529  -9.781   0.180  -4.254
   53    HA   PRO 530           HA       PRO 530  -8.415  -1.678   0.325
   54   1HB   PRO 530          2HB       PRO 530  -9.625  -3.513  -1.697
   55   2HB   PRO 530          1HB       PRO 530  -9.617  -3.631   0.067
   56   1HG   PRO 530          2HG       PRO 530 -11.803  -2.833  -1.212
   57   2HG   PRO 530          1HG       PRO 530 -11.316  -2.062   0.310
   58   1HD   PRO 530          2HD       PRO 530 -11.086  -1.051  -2.487
   59   2HD   PRO 530          1HD       PRO 530 -11.409  -0.161  -0.986
   60    H    LEU 531           H        LEU 531  -6.340  -2.181   0.167
   61    HA   LEU 531           HA       LEU 531  -4.732  -1.929  -2.058
   62   1HB   LEU 531          2HB       LEU 531  -4.111  -3.974   0.047
   63   2HB   LEU 531          1HB       LEU 531  -3.010  -2.909  -0.808
   64    HG   LEU 531           HG       LEU 531  -4.720  -1.199   0.601
   65   1HD1  LEU 531          1HD1      LEU 531  -3.662  -2.812   2.770
   66   2HD1  LEU 531          2HD1      LEU 531  -4.903  -3.654   1.843
   67   3HD1  LEU 531          3HD1      LEU 531  -5.258  -2.087   2.571
   68   1HD2  LEU 531          1HD2      LEU 531  -2.662  -0.349   0.677
   69   2HD2  LEU 531          2HD2      LEU 531  -1.908  -1.934   0.506
   70   3HD2  LEU 531          3HD2      LEU 531  -2.418  -1.367   2.095
   71    HA   PRO 532           HA       PRO 532  -5.719  -5.205  -4.846
   72   1HB   PRO 532          2HB       PRO 532  -2.743  -5.298  -5.155
   73   2HB   PRO 532          1HB       PRO 532  -4.002  -5.269  -6.397
   74   1HG   PRO 532          2HG       PRO 532  -2.676  -3.062  -5.859
   75   2HG   PRO 532          1HG       PRO 532  -4.431  -2.998  -6.092
   76   1HD   PRO 532          2HD       PRO 532  -2.854  -2.877  -3.554
   77   2HD   PRO 532          1HD       PRO 532  -4.331  -2.000  -4.008
   78    HA   PRO 533           HA       PRO 533  -5.242  -9.339  -3.445
   79   1HB   PRO 533          2HB       PRO 533  -3.089  -9.761  -5.463
   80   2HB   PRO 533          1HB       PRO 533  -4.449 -10.808  -5.038
   81   1HG   PRO 533          2HG       PRO 533  -4.583  -9.298  -7.205
   82   2HG   PRO 533          1HG       PRO 533  -5.998  -9.461  -6.148
   83   1HD   PRO 533          2HD       PRO 533  -4.133  -7.170  -6.477
   84   2HD   PRO 533          1HD       PRO 533  -5.862  -7.169  -6.072
   85    H    ARG 534           H        ARG 534  -2.000  -8.294  -4.314
   86    HA   ARG 534           HA       ARG 534  -1.107  -9.301  -1.697
   87   1HB   ARG 534          2HB       ARG 534   0.199  -9.465  -4.395
   88   2HB   ARG 534          1HB       ARG 534   1.149  -9.591  -2.920
   89   1HG   ARG 534          2HG       ARG 534  -1.250 -11.327  -3.287
   90   2HG   ARG 534          1HG       ARG 534   0.266 -11.736  -4.090
   91   1HD   ARG 534          2HD       ARG 534   1.419 -11.794  -1.967
   92   2HD   ARG 534          1HD       ARG 534  -0.032 -11.241  -1.131
   93    HE   ARG 534           HE       ARG 534  -0.876 -13.377  -1.231
   94   1HH1  ARG 534          1HH1      ARG 534   1.926 -13.129  -3.287
   95   2HH1  ARG 534          2HH1      ARG 534   2.034 -14.836  -3.562
   96   1HH2  ARG 534          1HH2      ARG 534  -0.743 -15.624  -1.588
   97   2HH2  ARG 534          2HH2      ARG 534   0.517 -16.255  -2.596
   98    H    TRP 535           H        TRP 535  -1.735  -7.002  -1.142
   99    HA   TRP 535           HA       TRP 535   0.710  -5.468  -1.107
  100   1HB   TRP 535          2HB       TRP 535  -1.779  -4.445  -2.451
  101   2HB   TRP 535          1HB       TRP 535  -0.507  -3.374  -1.865
  102    HD1  TRP 535           HD       TRP 535  -1.126  -6.100  -4.500
  103    HE1  TRP 535           1HE      TRP 535   0.650  -5.857  -6.347
  104    HE3  TRP 535           3HE      TRP 535   1.790  -2.504  -2.342
  105    HZ2  TRP 535           2HZ      TRP 535   2.984  -4.338  -6.818
  106    HZ3  TRP 535           3HZ      TRP 535   3.780  -1.712  -3.554
  107    HH2  TRP 535           HH       TRP 535   4.363  -2.613  -5.747
  108    H    SER 536           H        SER 536   0.716  -3.715   0.380
  109    HA   SER 536           HA       SER 536  -1.525  -3.535   2.243
  110   1HB   SER 536          2HB       SER 536   1.158  -4.661   2.863
  111   2HB   SER 536          1HB       SER 536   0.450  -3.586   4.062
  112    HG   SER 536           HG       SER 536  -0.668  -5.252   4.656
  113    H    MET 537           H        MET 537  -0.485  -1.917   4.142
  114    HA   MET 537           HA       MET 537   0.944   0.247   2.812
  115   1HB   MET 537          2HB       MET 537  -1.911   0.302   3.533
  116   2HB   MET 537          1HB       MET 537  -0.987   1.699   4.068
  117   1HG   MET 537          2HG       MET 537  -0.464   0.921   1.303
  118   2HG   MET 537          1HG       MET 537  -2.133   1.397   1.613
  119   1HE   MET 537          1HE       MET 537  -2.986   3.255   1.620
  120   2HE   MET 537          2HE       MET 537  -2.211   4.644   0.857
  121   3HE   MET 537          3HE       MET 537  -2.427   4.604   2.607
  122    H    GLN 538           H        GLN 538   2.378   1.158   4.116
  123    HA   GLN 538           HA       GLN 538   1.908   1.257   6.991
  124   1HB   GLN 538          2HB       GLN 538   4.092  -0.299   5.659
  125   2HB   GLN 538          1HB       GLN 538   4.414   0.480   7.202
  126   1HG   GLN 538          2HG       GLN 538   1.976  -0.849   7.522
  127   2HG   GLN 538          1HG       GLN 538   3.022  -1.965   6.645
  128   1HE2  GLN 538          1HE2      GLN 538   5.240  -2.212   7.570
  129   2HE2  GLN 538          2HE2      GLN 538   5.382  -2.269   9.290
  130    H    VAL 539           H        VAL 539   2.996   2.926   8.027
  131    HA   VAL 539           HA       VAL 539   3.953   5.021   6.273
  132    HB   VAL 539           HB       VAL 539   3.862   5.132   9.285
  133   1HG1  VAL 539          1HG1      VAL 539   4.962   7.024   8.597
  134   2HG1  VAL 539          2HG1      VAL 539   3.290   7.589   8.574
  135   3HG1  VAL 539          3HG1      VAL 539   4.083   7.114   7.071
  136   1HG2  VAL 539          1HG2      VAL 539   1.594   6.355   7.963
  137   2HG2  VAL 539          2HG2      VAL 539   1.638   5.239   9.327
  138   3HG2  VAL 539          3HG2      VAL 539   1.660   4.617   7.678
  139    H    ALA 540           H        ALA 540   6.015   5.537   5.909
  140    HA   ALA 540           HA       ALA 540   8.086   4.029   7.313
  141   1HB   ALA 540          1HB       ALA 540   7.746   4.941   4.638
  142   2HB   ALA 540          2HB       ALA 540   9.015   3.913   5.301
  143   3HB   ALA 540          3HB       ALA 540   9.212   5.665   5.297
  144    HA   PRO 541           HA       PRO 541   9.741   7.419   9.585
  145   1HB   PRO 541          2HB       PRO 541  12.409   7.364   9.098
  146   2HB   PRO 541          1HB       PRO 541  11.592   6.148  10.085
  147   1HG   PRO 541          2HG       PRO 541  12.425   6.009   7.213
  148   2HG   PRO 541          1HG       PRO 541  12.578   4.780   8.482
  149   1HD   PRO 541          2HD       PRO 541  10.608   4.717   6.626
  150   2HD   PRO 541          1HD       PRO 541  10.379   4.118   8.282
  151    H    ASN 542           H        ASN 542  10.465   7.324   6.183
  152    HA   ASN 542           HA       ASN 542  11.705   9.763   5.775
  153   1HB   ASN 542          2HB       ASN 542  11.453   8.164   3.977
  154   2HB   ASN 542          1HB       ASN 542   9.701   8.315   4.036
  155   1HD2  ASN 542          1HD2      ASN 542  10.083   8.735   1.720
  156   2HD2  ASN 542          2HD2      ASN 542  10.387  10.363   1.231
  157    H    GLY 543           H        GLY 543   8.331   9.046   6.397
  158   1HA   GLY 543          2HA       GLY 543   7.181  10.920   7.585
  159   2HA   GLY 543          1HA       GLY 543   7.767  11.944   6.285
  160    H    ARG 544           H        ARG 544   7.085   9.257   4.651
  161    HA   ARG 544           HA       ARG 544   4.218   9.861   4.403
  162   1HB   ARG 544          2HB       ARG 544   4.329   9.797   2.022
  163   2HB   ARG 544          1HB       ARG 544   5.582  10.902   2.571
  164   1HG   ARG 544          2HG       ARG 544   6.855   8.444   2.441
  165   2HG   ARG 544          1HG       ARG 544   5.805   8.472   1.024
  166   1HD   ARG 544          2HD       ARG 544   7.953  10.434   1.787
  167   2HD   ARG 544          1HD       ARG 544   7.864   9.422   0.347
  168    HE   ARG 544           HE       ARG 544   6.612  11.969   0.748
  169   1HH1  ARG 544          1HH1      ARG 544   6.420   8.942  -0.963
  170   2HH1  ARG 544          2HH1      ARG 544   5.499   9.593  -2.277
  171   1HH2  ARG 544          1HH2      ARG 544   5.397  12.839  -0.978
  172   2HH2  ARG 544          2HH2      ARG 544   4.918  11.810  -2.285
  173    H    THR 545           H        THR 545   2.915   8.162   3.504
  174    HA   THR 545           HA       THR 545   3.784   5.560   4.424
  175    HB   THR 545           HB       THR 545   1.363   5.033   3.402
  176    HG1  THR 545           1HG      THR 545   0.109   7.022   3.986
  177   1HG2  THR 545          1HG2      THR 545   1.910   4.636   5.699
  178   2HG2  THR 545          2HG2      THR 545   0.438   5.606   5.662
  179   3HG2  THR 545          3HG2      THR 545   1.986   6.364   6.037
  180    H    PHE 546           H        PHE 546   3.919   3.697   3.176
  181    HA   PHE 546           HA       PHE 546   4.033   4.153   0.276
  182   1HB   PHE 546          2HB       PHE 546   5.798   2.322   0.294
  183   2HB   PHE 546          1HB       PHE 546   6.279   3.876   0.963
  184    HD1  PHE 546           1HD      PHE 546   6.064   4.133   3.533
  185    HD2  PHE 546           2HD      PHE 546   6.138   0.391   1.503
  186    HE1  PHE 546           1HE      PHE 546   6.746   3.014   5.617
  187    HE2  PHE 546           2HE      PHE 546   6.816  -0.730   3.585
  188    HZ   PHE 546           HZ       PHE 546   7.120   0.582   5.646
  189    H    PHE 547           H        PHE 547   4.270   1.696  -0.712
  190    HA   PHE 547           HA       PHE 547   1.999   0.185   0.382
  191   1HB   PHE 547          2HB       PHE 547   2.390   1.284  -2.284
  192   2HB   PHE 547          1HB       PHE 547   2.087  -0.447  -2.319
  193    HD1  PHE 547           1HD      PHE 547   0.752   2.732  -0.935
  194    HD2  PHE 547           2HD      PHE 547  -0.077  -1.256  -2.168
  195    HE1  PHE 547           1HE      PHE 547  -1.656   3.149  -0.654
  196    HE2  PHE 547           2HE      PHE 547  -2.486  -0.846  -1.891
  197    HZ   PHE 547           HZ       PHE 547  -3.277   1.358  -1.133
  198    H    ILE 548           H        ILE 548   2.584  -1.714   1.070
  199    HA   ILE 548           HA       ILE 548   5.123  -2.857   0.357
  200    HB   ILE 548           HB       ILE 548   2.883  -3.848   2.115
  201   1HG1  ILE 548          2HG1      ILE 548   5.304  -3.328   3.507
  202   2HG1  ILE 548          1HG1      ILE 548   4.968  -1.938   2.477
  203   1HG2  ILE 548          1HG2      ILE 548   4.459  -5.519   2.956
  204   2HG2  ILE 548          2HG2      ILE 548   5.653  -4.992   1.770
  205   3HG2  ILE 548          3HG2      ILE 548   4.151  -5.743   1.234
  206   1HD1  ILE 548          1HD1      ILE 548   2.602  -2.848   3.869
  207   2HD1  ILE 548          2HD1      ILE 548   3.337  -1.247   3.811
  208   3HD1  ILE 548          3HD1      ILE 548   3.911  -2.439   4.976
  209    H    ASP 549           H        ASP 549   5.518  -4.561  -0.949
  210    HA   ASP 549           HA       ASP 549   3.233  -5.639  -2.460
  211   1HB   ASP 549          2HB       ASP 549   4.866  -4.376  -3.809
  212   2HB   ASP 549          1HB       ASP 549   6.142  -5.467  -3.277
  213    H    HIS 550           H        HIS 550   2.648  -7.525  -1.578
  214    HA   HIS 550           HA       HIS 550   4.522  -9.288  -0.312
  215   1HB   HIS 550          2HB       HIS 550   1.614  -9.695  -1.041
  216   2HB   HIS 550          1HB       HIS 550   2.567 -10.787  -0.043
  217    HD2  HIS 550           2HD      HIS 550   1.761  -6.915   0.193
  218    HE1  HIS 550           1HE      HIS 550   1.469  -8.734   4.003
  219    HE2  HIS 550           2HE      HIS 550   1.069  -6.612   2.674
  220    H    ALA 551           H        ALA 551   3.305  -8.900  -3.510
  221    HA   ALA 551           HA       ALA 551   3.512 -11.507  -4.501
  222   1HB   ALA 551          1HB       ALA 551   3.473 -10.558  -6.662
  223   2HB   ALA 551          2HB       ALA 551   4.169  -9.040  -6.092
  224   3HB   ALA 551          3HB       ALA 551   2.519  -9.475  -5.647
  225    H    SER 552           H        SER 552   5.929  -8.915  -4.334
  226    HA   SER 552           HA       SER 552   8.018 -10.955  -4.708
  227   1HB   SER 552          2HB       SER 552   7.428  -8.798  -6.438
  228   2HB   SER 552          1HB       SER 552   8.928  -8.386  -5.611
  229    HG   SER 552           HG       SER 552   9.891 -10.154  -6.441
  230    H    ARG 553           H        ARG 553   6.766  -9.447  -2.347
  231    HA   ARG 553           HA       ARG 553   7.420  -8.422  -0.423
  232   1HB   ARG 553          2HB       ARG 553  10.151  -9.581  -0.871
  233   2HB   ARG 553          1HB       ARG 553   9.264  -9.395   0.636
  234   1HG   ARG 553          2HG       ARG 553   8.430 -11.285  -1.549
  235   2HG   ARG 553          1HG       ARG 553   9.480 -11.743  -0.206
  236   1HD   ARG 553          2HD       ARG 553   7.553 -10.720   1.243
  237   2HD   ARG 553          1HD       ARG 553   6.584 -11.022  -0.198
  238    HE   ARG 553           HE       ARG 553   7.970 -13.361   0.346
  239   1HH1  ARG 553          1HH1      ARG 553   5.574 -11.361   1.887
  240   2HH1  ARG 553          2HH1      ARG 553   4.834 -12.676   2.737
  241   1HH2  ARG 553          1HH2      ARG 553   7.008 -15.101   1.461
  242   2HH2  ARG 553          2HH2      ARG 553   5.651 -14.805   2.496
  243    H    ARG 554           H        ARG 554   7.319  -6.436  -1.943
  244    HA   ARG 554           HA       ARG 554   9.842  -4.977  -1.592
  245   1HB   ARG 554          2HB       ARG 554   8.120  -4.696  -4.056
  246   2HB   ARG 554          1HB       ARG 554   9.693  -3.967  -3.762
  247   1HG   ARG 554          2HG       ARG 554  10.770  -6.113  -3.875
  248   2HG   ARG 554          1HG       ARG 554   9.210  -6.928  -3.999
  249   1HD   ARG 554          2HD       ARG 554   8.796  -5.911  -6.143
  250   2HD   ARG 554          1HD       ARG 554  10.257  -4.934  -6.003
  251    HE   ARG 554           HE       ARG 554  10.981  -7.628  -5.806
  252   1HH1  ARG 554          1HH1      ARG 554   9.695  -5.395  -8.148
  253   2HH1  ARG 554          2HH1      ARG 554  10.371  -6.229  -9.508
  254   1HH2  ARG 554          1HH2      ARG 554  11.876  -8.736  -7.591
  255   2HH2  ARG 554          2HH2      ARG 554  11.610  -8.129  -9.190
  256    H    THR 555           H        THR 555   9.052  -2.526  -2.568
  257    HA   THR 555           HA       THR 555   6.520  -1.820  -1.343
  258    HB   THR 555           HB       THR 555   7.524  -0.065   0.102
  259    HG1  THR 555           1HG      THR 555   9.829  -0.421   0.577
  260   1HG2  THR 555          1HG2      THR 555   8.493  -2.856   0.736
  261   2HG2  THR 555          2HG2      THR 555   6.858  -2.258   1.023
  262   3HG2  THR 555          3HG2      THR 555   8.221  -1.552   1.891
  263    H    THR 556           H        THR 556   5.836   0.347  -1.827
  264    HA   THR 556           HA       THR 556   7.435   1.873  -3.722
  265    HB   THR 556           HB       THR 556   6.179   0.309  -5.155
  266    HG1  THR 556           1HG      THR 556   6.431   2.144  -6.255
  267   1HG2  THR 556          1HG2      THR 556   3.842   0.183  -5.208
  268   2HG2  THR 556          2HG2      THR 556   3.648   1.662  -4.269
  269   3HG2  THR 556          3HG2      THR 556   4.224   0.192  -3.487
  270    H    TRP 557           H        TRP 557   6.538   3.991  -4.168
  271    HA   TRP 557           HA       TRP 557   5.225   5.075  -1.818
  272   1HB   TRP 557          2HB       TRP 557   6.533   6.320  -4.231
  273   2HB   TRP 557          1HB       TRP 557   5.667   7.276  -3.035
  274    HD1  TRP 557           HD       TRP 557   9.046   6.576  -3.811
  275    HE1  TRP 557           1HE      TRP 557  10.573   6.605  -1.737
  276    HE3  TRP 557           3HE      TRP 557   5.474   6.210  -0.191
  277    HZ2  TRP 557           2HZ      TRP 557  10.292   6.490   1.075
  278    HZ3  TRP 557           3HZ      TRP 557   6.180   6.174   2.172
  279    HH2  TRP 557           HH       TRP 557   8.539   6.310   2.788
  280    H    ILE 558           H        ILE 558   4.431   4.216  -5.057
  281    HA   ILE 558           HA       ILE 558   1.931   5.738  -4.896
  282    HB   ILE 558           HB       ILE 558   3.195   4.460  -7.312
  283   1HG1  ILE 558          2HG1      ILE 558   2.999   7.407  -6.737
  284   2HG1  ILE 558          1HG1      ILE 558   4.361   6.455  -6.147
  285   1HG2  ILE 558          1HG2      ILE 558   0.635   5.845  -6.822
  286   2HG2  ILE 558          2HG2      ILE 558   1.050   4.615  -8.015
  287   3HG2  ILE 558          3HG2      ILE 558   1.502   6.296  -8.290
  288   1HD1  ILE 558          1HD1      ILE 558   5.107   7.385  -8.143
  289   2HD1  ILE 558          2HD1      ILE 558   3.580   7.076  -8.969
  290   3HD1  ILE 558          3HD1      ILE 558   4.659   5.736  -8.581
  291    H    ASP 559           H        ASP 559   0.096   4.742  -4.536
  292    HA   ASP 559           HA       ASP 559  -0.120   2.039  -3.943
  293   1HB   ASP 559          2HB       ASP 559  -2.643   2.488  -4.293
  294   2HB   ASP 559          1HB       ASP 559  -1.797   3.395  -3.042
  295    HA   PRO 560           HA       PRO 560  -0.597   0.338  -8.038
  296   1HB   PRO 560          2HB       PRO 560  -0.768  -2.241  -7.328
  297   2HB   PRO 560          1HB       PRO 560   0.738  -1.333  -7.160
  298   1HG   PRO 560          2HG       PRO 560  -1.158  -2.232  -5.074
  299   2HG   PRO 560          1HG       PRO 560   0.571  -1.889  -4.963
  300   1HD   PRO 560          2HD       PRO 560  -1.588  -0.193  -4.209
  301   2HD   PRO 560          1HD       PRO 560   0.149   0.161  -4.158
  302    H    ARG 561           H        ARG 561  -3.010   1.129  -6.219
  303    HA   ARG 561           HA       ARG 561  -4.986  -0.704  -7.375
  304   1HB   ARG 561          2HB       ARG 561  -6.404   0.777  -5.595
  305   2HB   ARG 561          1HB       ARG 561  -5.652  -0.762  -5.223
  306   1HG   ARG 561          2HG       ARG 561  -3.667   0.460  -4.390
  307   2HG   ARG 561          1HG       ARG 561  -4.523   1.978  -4.668
  308   1HD   ARG 561          2HD       ARG 561  -6.262   0.325  -3.189
  309   2HD   ARG 561          1HD       ARG 561  -4.674   0.189  -2.436
  310    HE   ARG 561           HE       ARG 561  -5.599   2.879  -3.018
  311   1HH1  ARG 561          1HH1      ARG 561  -5.281   0.346  -0.631
  312   2HH1  ARG 561          2HH1      ARG 561  -5.418   1.429   0.711
  313   1HH2  ARG 561          1HH2      ARG 561  -5.784   4.296  -1.251
  314   2HH2  ARG 561          2HH2      ARG 561  -5.706   3.668   0.361
  315    H    ASN 562           H        ASN 562  -3.590   2.028  -8.299
  316    HA   ASN 562           HA       ASN 562  -5.639   2.793 -10.046
  317   1HB   ASN 562          2HB       ASN 562  -5.521   5.264  -8.778
  318   2HB   ASN 562          1HB       ASN 562  -6.894   4.168  -8.797
  319   1HD2  ASN 562          1HD2      ASN 562  -4.088   5.209  -6.978
  320   2HD2  ASN 562          2HD2      ASN 562  -4.647   4.655  -5.440
  321    H    GLY 563           H        GLY 563  -2.894   4.124  -8.209
  322   1HA   GLY 563          2HA       GLY 563  -0.785   4.497  -9.323
  323   2HA   GLY 563          1HA       GLY 563  -1.678   4.857 -10.792
  324    H    ARG 564           H        ARG 564  -1.430   6.030  -7.437
  325    HA   ARG 564           HA       ARG 564  -0.815   8.692  -8.320
  326   1HB   ARG 564          2HB       ARG 564  -2.913   9.398  -6.734
  327   2HB   ARG 564          1HB       ARG 564  -2.952   9.393  -8.492
  328   1HG   ARG 564          2HG       ARG 564  -3.759   6.954  -8.245
  329   2HG   ARG 564          1HG       ARG 564  -4.100   7.403  -6.573
  330   1HD   ARG 564          2HD       ARG 564  -5.102   9.037  -8.884
  331   2HD   ARG 564          1HD       ARG 564  -5.987   7.630  -8.297
  332    HE   ARG 564           HE       ARG 564  -5.377   9.347  -6.144
  333   1HH1  ARG 564          1HH1      ARG 564  -7.443   9.122  -8.939
  334   2HH1  ARG 564          2HH1      ARG 564  -8.695  10.104  -8.254
  335   1HH2  ARG 564          1HH2      ARG 564  -7.021  10.641  -5.232
  336   2HH2  ARG 564          2HH2      ARG 564  -8.455  10.967  -6.148
  337    H    ALA 565           H        ALA 565   0.990   7.854  -6.963
  338    HA   ALA 565           HA       ALA 565   2.143   7.666  -4.993
  339   1HB   ALA 565          1HB       ALA 565   1.649  10.129  -5.240
  340   2HB   ALA 565          2HB       ALA 565   2.013   9.581  -3.605
  341   3HB   ALA 565          3HB       ALA 565   0.345   9.899  -4.077
  342    H    SER 566           H        SER 566   1.175   8.338  -2.334
  343    HA   SER 566           HA       SER 566  -0.534   5.985  -1.894
  344   1HB   SER 566          2HB       SER 566   0.412   5.875   0.354
  345   2HB   SER 566          1HB       SER 566   1.709   5.901  -0.840
  346    HG   SER 566           HG       SER 566   1.846   8.196  -0.423
  347   1H    THR 227          1HT       THR 227  17.370   8.240  -1.011
  348   2H    THR 227          2HT       THR 227  16.548   6.777  -0.799
  349   3H    THR 227          3HT       THR 227  17.065   7.659   0.549
  350    HA   THR 227           HA       THR 227  15.590   9.507  -0.191
  351    HB   THR 227           HB       THR 227  13.614   8.245  -1.583
  352    HG1  THR 227           1HG      THR 227  14.420   6.745  -2.849
  353   1HG2  THR 227          1HG2      THR 227  15.524   9.419  -3.417
  354   2HG2  THR 227          2HG2      THR 227  15.352  10.388  -1.953
  355   3HG2  THR 227          3HG2      THR 227  13.933  10.000  -2.926
  356    H    GLY 228           H        GLY 228  14.622   6.071  -0.069
  357   1HA   GLY 228          2HA       GLY 228  13.945   5.685   2.468
  358   2HA   GLY 228          1HA       GLY 228  12.616   6.710   1.948
  359    H    LEU 229           H        LEU 229  11.053   5.136   2.247
  360    HA   LEU 229           HA       LEU 229   9.637   3.490   1.567
  361   1HB   LEU 229          2HB       LEU 229  10.140   4.387  -0.706
  362   2HB   LEU 229          1HB       LEU 229  11.441   3.220  -0.837
  363    HG   LEU 229           HG       LEU 229   9.405   1.555  -0.262
  364   1HD1  LEU 229          1HD1      LEU 229   7.365   2.205  -1.106
  365   2HD1  LEU 229          2HD1      LEU 229   8.061   3.494  -2.089
  366   3HD1  LEU 229          3HD1      LEU 229   7.927   3.691  -0.342
  367   1HD2  LEU 229          1HD2      LEU 229   9.298   2.049  -3.067
  368   2HD2  LEU 229          2HD2      LEU 229  10.107   0.743  -2.202
  369   3HD2  LEU 229          3HD2      LEU 229  10.960   2.256  -2.512
  370    HA   PRO 230           HA       PRO 230  12.829   0.551   3.382
  371   1HB   PRO 230          2HB       PRO 230  10.426   0.030   5.056
  372   2HB   PRO 230          1HB       PRO 230  12.116   0.204   5.538
  373   1HG   PRO 230          2HG       PRO 230  10.365   2.159   5.991
  374   2HG   PRO 230          1HG       PRO 230  12.028   2.522   5.494
  375   1HD   PRO 230          2HD       PRO 230   9.508   2.597   3.892
  376   2HD   PRO 230          1HD       PRO 230  10.920   3.671   3.828
  377    H    SER 231           H        SER 231  12.895  -0.944   1.766
  378    HA   SER 231           HA       SER 231  10.838  -2.215   0.475
  379   1HB   SER 231          2HB       SER 231  13.612  -3.185   1.157
  380   2HB   SER 231          1HB       SER 231  12.509  -4.127   0.155
  381    HG   SER 231           HG       SER 231  14.033  -2.018  -0.523
  382    H    TYR 232           H        TYR 232  10.236  -4.564   0.611
  383    HA   TYR 232           HA       TYR 232   8.943  -5.087   3.041
  384   1HB   TYR 232          2HB       TYR 232   8.450  -5.984   0.660
  385   2HB   TYR 232          1HB       TYR 232   9.607  -7.249   1.062
  386    HD1  TYR 232           1HD      TYR 232   6.275  -6.697   0.821
  387    HD2  TYR 232           2HD      TYR 232   9.091  -8.109   3.681
  388    HE1  TYR 232           1HE      TYR 232   4.490  -7.954   1.950
  389    HE2  TYR 232           2HE      TYR 232   7.313  -9.370   4.817
  390    HH   TYR 232           HH       TYR 232   4.147  -8.832   4.440
  391    H    ASP 233           H        ASP 233  10.433  -5.028   4.727
  392    HA   ASP 233           HA       ASP 233  11.542  -7.474   5.511
  393   1HB   ASP 233          2HB       ASP 233  13.183  -6.805   3.685
  394   2HB   ASP 233          1HB       ASP 233  13.679  -5.486   4.741
  395    H    GLU 234           H        GLU 234  11.772  -3.962   5.739
  396    HA   GLU 234           HA       GLU 234  12.319  -4.156   8.606
  397   1HB   GLU 234          2HB       GLU 234  12.250  -1.737   6.792
  398   2HB   GLU 234          1HB       GLU 234  12.715  -1.729   8.488
  399   1HG   GLU 234          2HG       GLU 234  14.211  -3.629   6.843
  400   2HG   GLU 234          1HG       GLU 234  14.430  -1.940   6.389
  401    H    ALA 235           H        ALA 235   9.883  -3.068   6.326
  402    HA   ALA 235           HA       ALA 235   8.201  -1.918   8.366
  403   1HB   ALA 235          1HB       ALA 235   6.722  -1.336   6.633
  404   2HB   ALA 235          2HB       ALA 235   7.355  -2.584   5.560
  405   3HB   ALA 235          3HB       ALA 235   8.334  -1.167   5.938
  406    H    LEU 236           H        LEU 236   8.551  -4.221   9.430
  407    HA   LEU 236           HA       LEU 236   6.119  -5.764   8.822
  408   1HB   LEU 236          2HB       LEU 236   8.918  -6.712   9.223
  409   2HB   LEU 236          1HB       LEU 236   7.606  -7.718   9.809
  410    HG   LEU 236           HG       LEU 236   6.689  -7.351   7.349
  411   1HD1  LEU 236          1HD1      LEU 236   9.521  -7.522   6.572
  412   2HD1  LEU 236          2HD1      LEU 236   8.970  -5.932   7.100
  413   3HD1  LEU 236          3HD1      LEU 236   8.162  -6.744   5.760
  414   1HD2  LEU 236          1HD2      LEU 236   7.369  -9.478   8.546
  415   2HD2  LEU 236          2HD2      LEU 236   8.959  -9.270   7.811
  416   3HD2  LEU 236          3HD2      LEU 236   7.535  -9.482   6.790
  417    H    HIS 237           H        HIS 237   8.640  -5.236  11.284
  418    HA   HIS 237           HA       HIS 237   6.527  -5.398  13.333
  419   1HB   HIS 237          2HB       HIS 237   8.342  -6.166  14.892
  420   2HB   HIS 237          1HB       HIS 237   7.952  -7.304  13.606
  421    HD1  HIS 237           1HD      HIS 237  10.708  -5.297  15.007
  422    HD2  HIS 237           2HD      HIS 237   9.949  -7.477  11.551
  423    HE1  HIS 237           1HE      HIS 237  12.949  -5.631  13.918
  424    HE2  HIS 237           2HE      HIS 237  12.476  -7.022  11.871
  Start of MODEL   26
    1   1H    GLY 521          1HT       GLY 521 -17.980   1.429  -0.575
    2   2H    GLY 521          2HT       GLY 521 -16.753   2.399   0.066
    3   3H    GLY 521          3HT       GLY 521 -16.358   1.034  -0.853
    4   1HA   GLY 521          1HA       GLY 521 -16.032   2.957  -2.209
    5   2HA   GLY 521          2HA       GLY 521 -17.412   2.050  -2.806
    6    HA   PRO 522           HA       PRO 522 -20.117   5.509  -2.692
    7   1HB   PRO 522          2HB       PRO 522 -21.864   4.030  -0.781
    8   2HB   PRO 522          1HB       PRO 522 -22.274   4.790  -2.323
    9   1HG   PRO 522          2HG       PRO 522 -22.053   2.146  -2.140
   10   2HG   PRO 522          1HG       PRO 522 -21.451   3.010  -3.568
   11   1HD   PRO 522          2HD       PRO 522 -19.931   1.847  -1.273
   12   2HD   PRO 522          1HD       PRO 522 -19.502   1.913  -2.995
   13    H    LEU 523           H        LEU 523 -19.911   4.002   0.538
   14    HA   LEU 523           HA       LEU 523 -18.880   6.403   1.706
   15   1HB   LEU 523          2HB       LEU 523 -21.498   6.601   1.457
   16   2HB   LEU 523          1HB       LEU 523 -21.497   5.579   2.882
   17    HG   LEU 523           HG       LEU 523 -19.888   8.107   2.848
   18   1HD1  LEU 523          1HD1      LEU 523 -22.542   8.192   2.278
   19   2HD1  LEU 523          2HD1      LEU 523 -21.649   9.469   3.105
   20   3HD1  LEU 523          3HD1      LEU 523 -22.560   8.281   4.039
   21   1HD2  LEU 523          1HD2      LEU 523 -21.348   6.775   5.113
   22   2HD2  LEU 523          2HD2      LEU 523 -20.052   7.969   5.195
   23   3HD2  LEU 523          3HD2      LEU 523 -19.707   6.328   4.645
   24    H    GLY 524           H        GLY 524 -17.466   5.716   3.164
   25   1HA   GLY 524          2HA       GLY 524 -17.989   4.129   5.360
   26   2HA   GLY 524          1HA       GLY 524 -17.455   3.022   4.104
   27    H    SER 525           H        SER 525 -15.398   3.925   2.915
   28    HA   SER 525           HA       SER 525 -13.440   4.394   5.029
   29   1HB   SER 525          2HB       SER 525 -12.274   4.074   2.409
   30   2HB   SER 525          1HB       SER 525 -12.113   3.042   3.830
   31    HG   SER 525           HG       SER 525 -13.062   1.860   2.185
   32    H    GLY 526           H        GLY 526 -14.305   5.704   1.832
   33   1HA   GLY 526          2HA       GLY 526 -14.417   8.025   1.361
   34   2HA   GLY 526          1HA       GLY 526 -13.365   8.328   2.736
   35    H    GLU 527           H        GLU 527 -11.136   8.178   2.493
   36    HA   GLU 527           HA       GLU 527 -10.229   8.094  -0.306
   37   1HB   GLU 527          2HB       GLU 527  -9.796   9.987   1.757
   38   2HB   GLU 527          1HB       GLU 527  -8.255   9.193   1.463
   39   1HG   GLU 527          2HG       GLU 527  -9.664   9.951  -0.976
   40   2HG   GLU 527          1HG       GLU 527  -9.249  11.315   0.062
   41    H    GLU 528           H        GLU 528 -10.618   5.729   1.272
   42    HA   GLU 528           HA       GLU 528  -7.832   4.782   1.427
   43   1HB   GLU 528          2HB       GLU 528  -9.005   5.001   3.660
   44   2HB   GLU 528          1HB       GLU 528 -10.099   3.735   3.121
   45   1HG   GLU 528          2HG       GLU 528  -8.219   2.202   2.886
   46   2HG   GLU 528          1HG       GLU 528  -7.115   3.471   3.415
   47    H    GLU 529           H        GLU 529  -8.091   4.158  -0.804
   48    HA   GLU 529           HA       GLU 529 -10.088   2.344  -1.656
   49   1HB   GLU 529          2HB       GLU 529  -8.088   3.817  -2.886
   50   2HB   GLU 529          1HB       GLU 529  -7.575   2.152  -3.122
   51   1HG   GLU 529          2HG       GLU 529  -8.971   3.104  -4.955
   52   2HG   GLU 529          1HG       GLU 529  -9.572   1.600  -4.260
   53    HA   PRO 530           HA       PRO 530  -8.731  -1.518  -0.010
   54   1HB   PRO 530          2HB       PRO 530  -9.483  -2.716  -2.612
   55   2HB   PRO 530          1HB       PRO 530 -10.076  -3.086  -0.990
   56   1HG   PRO 530          2HG       PRO 530 -11.586  -1.757  -2.752
   57   2HG   PRO 530          1HG       PRO 530 -11.625  -1.370  -1.022
   58   1HD   PRO 530          2HD       PRO 530 -10.271   0.077  -3.261
   59   2HD   PRO 530          1HD       PRO 530 -11.114   0.728  -1.839
   60    H    LEU 531           H        LEU 531  -6.885  -2.672   0.032
   61    HA   LEU 531           HA       LEU 531  -4.826  -2.061  -1.892
   62   1HB   LEU 531          2HB       LEU 531  -4.464  -4.186   0.167
   63   2HB   LEU 531          1HB       LEU 531  -3.335  -2.958  -0.377
   64    HG   LEU 531           HG       LEU 531  -5.659  -2.554   1.507
   65   1HD1  LEU 531          1HD1      LEU 531  -3.568  -3.673   2.359
   66   2HD1  LEU 531          2HD1      LEU 531  -4.046  -2.191   3.187
   67   3HD1  LEU 531          3HD1      LEU 531  -2.728  -2.162   2.017
   68   1HD2  LEU 531          1HD2      LEU 531  -4.313  -0.258   1.657
   69   2HD2  LEU 531          2HD2      LEU 531  -5.655  -0.503   0.538
   70   3HD2  LEU 531          3HD2      LEU 531  -3.992  -0.652  -0.031
   71    HA   PRO 532           HA       PRO 532  -5.660  -5.321  -4.747
   72   1HB   PRO 532          2HB       PRO 532  -2.698  -5.541  -4.892
   73   2HB   PRO 532          1HB       PRO 532  -3.879  -5.383  -6.192
   74   1HG   PRO 532          2HG       PRO 532  -2.400  -3.308  -5.443
   75   2HG   PRO 532          1HG       PRO 532  -4.101  -3.098  -5.892
   76   1HD   PRO 532          2HD       PRO 532  -2.840  -3.082  -3.189
   77   2HD   PRO 532          1HD       PRO 532  -4.224  -2.152  -3.796
   78    HA   PRO 533           HA       PRO 533  -5.084  -9.330  -3.072
   79   1HB   PRO 533          2HB       PRO 533  -3.547 -10.370  -5.340
   80   2HB   PRO 533          1HB       PRO 533  -5.160 -10.807  -4.775
   81   1HG   PRO 533          2HG       PRO 533  -4.800  -9.427  -7.041
   82   2HG   PRO 533          1HG       PRO 533  -6.182  -9.108  -5.975
   83   1HD   PRO 533          2HD       PRO 533  -3.602  -7.603  -6.235
   84   2HD   PRO 533          1HD       PRO 533  -5.260  -6.976  -6.105
   85    H    ARG 534           H        ARG 534  -2.189  -7.729  -3.835
   86    HA   ARG 534           HA       ARG 534  -0.784  -9.478  -1.954
   87   1HB   ARG 534          2HB       ARG 534   0.203  -8.824  -4.730
   88   2HB   ARG 534          1HB       ARG 534   1.226  -9.488  -3.462
   89   1HG   ARG 534          2HG       ARG 534  -1.294 -10.899  -4.201
   90   2HG   ARG 534          1HG       ARG 534   0.131 -11.055  -5.229
   91   1HD   ARG 534          2HD       ARG 534   1.423 -11.932  -3.417
   92   2HD   ARG 534          1HD       ARG 534   0.137 -11.584  -2.263
   93    HE   ARG 534           HE       ARG 534  -0.942 -13.501  -2.922
   94   1HH1  ARG 534          1HH1      ARG 534   1.608 -12.761  -5.176
   95   2HH1  ARG 534          2HH1      ARG 534   1.496 -14.280  -6.001
   96   1HH2  ARG 534          1HH2      ARG 534  -1.099 -15.504  -4.003
   97   2HH2  ARG 534          2HH2      ARG 534  -0.044 -15.839  -5.334
   98    H    TRP 535           H        TRP 535  -1.752  -6.940  -1.426
   99    HA   TRP 535           HA       TRP 535   0.789  -5.560  -0.985
  100   1HB   TRP 535          2HB       TRP 535  -1.647  -4.219  -2.149
  101   2HB   TRP 535          1HB       TRP 535  -0.199  -3.382  -1.603
  102    HD1  TRP 535           HD       TRP 535  -1.072  -6.173  -4.154
  103    HE1  TRP 535           1HE      TRP 535   0.435  -5.868  -6.211
  104    HE3  TRP 535           3HE      TRP 535   1.707  -2.228  -2.506
  105    HZ2  TRP 535           2HZ      TRP 535   2.550  -4.155  -7.021
  106    HZ3  TRP 535           3HZ      TRP 535   3.456  -1.311  -3.975
  107    HH2  TRP 535           HH       TRP 535   3.868  -2.260  -6.187
  108    H    SER 536           H        SER 536   0.556  -3.686   0.514
  109    HA   SER 536           HA       SER 536  -1.635  -3.902   2.416
  110   1HB   SER 536          2HB       SER 536   0.762  -5.258   2.865
  111   2HB   SER 536          1HB       SER 536   0.889  -3.802   3.842
  112    HG   SER 536           HG       SER 536  -0.134  -5.398   5.037
  113    H    MET 537           H        MET 537  -0.285  -2.388   4.445
  114    HA   MET 537           HA       MET 537   0.487   0.094   3.120
  115   1HB   MET 537          2HB       MET 537  -1.881  -0.223   4.952
  116   2HB   MET 537          1HB       MET 537  -1.123   1.335   4.649
  117   1HG   MET 537          2HG       MET 537  -1.510   0.665   2.140
  118   2HG   MET 537          1HG       MET 537  -2.746  -0.377   2.841
  119   1HE   MET 537          1HE       MET 537  -2.815   4.094   2.228
  120   2HE   MET 537          2HE       MET 537  -1.601   2.913   1.735
  121   3HE   MET 537          3HE       MET 537  -1.586   3.563   3.375
  122    H    GLN 538           H        GLN 538   1.777   1.432   4.366
  123    HA   GLN 538           HA       GLN 538   2.150   1.078   7.163
  124   1HB   GLN 538          2HB       GLN 538   3.312  -0.936   6.472
  125   2HB   GLN 538          1HB       GLN 538   4.279  -0.024   5.321
  126   1HG   GLN 538          2HG       GLN 538   5.760  -0.228   7.040
  127   2HG   GLN 538          1HG       GLN 538   5.000   1.305   7.463
  128   1HE2  GLN 538          1HE2      GLN 538   4.986  -2.151   8.114
  129   2HE2  GLN 538          2HE2      GLN 538   4.359  -2.034   9.720
  130    H    VAL 539           H        VAL 539   2.893   2.928   7.980
  131    HA   VAL 539           HA       VAL 539   3.688   5.054   6.200
  132    HB   VAL 539           HB       VAL 539   3.748   5.179   9.209
  133   1HG1  VAL 539          1HG1      VAL 539   4.473   7.226   8.650
  134   2HG1  VAL 539          2HG1      VAL 539   2.780   7.547   8.274
  135   3HG1  VAL 539          3HG1      VAL 539   3.897   7.084   6.990
  136   1HG2  VAL 539          1HG2      VAL 539   1.301   6.211   8.204
  137   2HG2  VAL 539          2HG2      VAL 539   1.552   4.883   9.339
  138   3HG2  VAL 539          3HG2      VAL 539   1.490   4.564   7.605
  139    H    ALA 540           H        ALA 540   5.679   5.890   5.902
  140    HA   ALA 540           HA       ALA 540   7.906   4.489   7.214
  141   1HB   ALA 540          1HB       ALA 540   9.054   5.795   5.127
  142   2HB   ALA 540          2HB       ALA 540   7.447   5.457   4.484
  143   3HB   ALA 540          3HB       ALA 540   8.458   4.137   5.069
  144    HA   PRO 541           HA       PRO 541   9.326   8.110   9.285
  145   1HB   PRO 541          2HB       PRO 541  12.066   7.568   8.330
  146   2HB   PRO 541          1HB       PRO 541  11.443   7.610   9.981
  147   1HG   PRO 541          2HG       PRO 541  12.122   5.302   8.792
  148   2HG   PRO 541          1HG       PRO 541  10.756   5.406   9.919
  149   1HD   PRO 541          2HD       PRO 541  10.744   5.308   6.926
  150   2HD   PRO 541          1HD       PRO 541   9.657   4.514   8.086
  151    H    ASN 542           H        ASN 542  10.190   7.562   5.959
  152    HA   ASN 542           HA       ASN 542  11.464   9.861   5.198
  153   1HB   ASN 542          2HB       ASN 542  10.702   7.811   3.803
  154   2HB   ASN 542          1HB       ASN 542   9.227   8.734   3.533
  155   1HD2  ASN 542          1HD2      ASN 542   9.666   8.819   1.325
  156   2HD2  ASN 542          2HD2      ASN 542  10.862   9.881   0.676
  157    H    GLY 543           H        GLY 543   7.991   9.378   5.700
  158   1HA   GLY 543          2HA       GLY 543   7.018  11.492   6.767
  159   2HA   GLY 543          1HA       GLY 543   7.590  12.271   5.300
  160    H    ARG 544           H        ARG 544   6.790   9.469   4.051
  161    HA   ARG 544           HA       ARG 544   3.911  10.026   3.894
  162   1HB   ARG 544          2HB       ARG 544   3.892   9.812   1.527
  163   2HB   ARG 544          1HB       ARG 544   5.175  10.948   1.917
  164   1HG   ARG 544          2HG       ARG 544   6.214   8.275   1.833
  165   2HG   ARG 544          1HG       ARG 544   5.350   8.647   0.342
  166   1HD   ARG 544          2HD       ARG 544   7.614  10.200   1.578
  167   2HD   ARG 544          1HD       ARG 544   7.647   9.273   0.080
  168    HE   ARG 544           HE       ARG 544   5.657  11.235  -0.122
  169   1HH1  ARG 544          1HH1      ARG 544   9.124  10.959   0.052
  170   2HH1  ARG 544          2HH1      ARG 544   9.415  12.404  -0.857
  171   1HH2  ARG 544          1HH2      ARG 544   6.028  13.141  -1.319
  172   2HH2  ARG 544          2HH2      ARG 544   7.654  13.646  -1.635
  173    H    THR 545           H        THR 545   2.601   8.239   3.232
  174    HA   THR 545           HA       THR 545   3.570   5.741   4.301
  175    HB   THR 545           HB       THR 545   1.168   5.068   3.275
  176    HG1  THR 545           1HG      THR 545   0.750   7.760   4.054
  177   1HG2  THR 545          1HG2      THR 545   1.839   6.445   5.866
  178   2HG2  THR 545          2HG2      THR 545   1.611   4.723   5.563
  179   3HG2  THR 545          3HG2      THR 545   0.226   5.815   5.531
  180    H    PHE 546           H        PHE 546   3.849   3.826   3.165
  181    HA   PHE 546           HA       PHE 546   3.983   4.153   0.248
  182   1HB   PHE 546          2HB       PHE 546   5.771   2.358   0.385
  183   2HB   PHE 546          1HB       PHE 546   6.205   3.944   1.010
  184    HD1  PHE 546           1HD      PHE 546   5.966   0.459   1.708
  185    HD2  PHE 546           2HD      PHE 546   6.051   4.309   3.529
  186    HE1  PHE 546           1HE      PHE 546   6.605  -0.573   3.848
  187    HE2  PHE 546           2HE      PHE 546   6.693   3.278   5.672
  188    HZ   PHE 546           HZ       PHE 546   6.969   0.838   5.832
  189    H    PHE 547           H        PHE 547   4.208   1.778  -0.740
  190    HA   PHE 547           HA       PHE 547   2.014   0.173   0.392
  191   1HB   PHE 547          2HB       PHE 547   2.240   1.400  -2.217
  192   2HB   PHE 547          1HB       PHE 547   2.042  -0.342  -2.353
  193    HD1  PHE 547           1HD      PHE 547   0.573   2.662  -0.740
  194    HD2  PHE 547           2HD      PHE 547  -0.066  -1.297  -2.160
  195    HE1  PHE 547           1HE      PHE 547  -1.841   2.917  -0.350
  196    HE2  PHE 547           2HE      PHE 547  -2.485  -1.048  -1.776
  197    HZ   PHE 547           HZ       PHE 547  -3.374   1.061  -0.868
  198    H    ILE 548           H        ILE 548   2.454  -1.823   0.815
  199    HA   ILE 548           HA       ILE 548   5.022  -2.907   0.035
  200    HB   ILE 548           HB       ILE 548   2.858  -4.008   1.829
  201   1HG1  ILE 548          2HG1      ILE 548   5.289  -3.510   3.193
  202   2HG1  ILE 548          1HG1      ILE 548   4.961  -2.088   2.203
  203   1HG2  ILE 548          1HG2      ILE 548   3.940  -5.930   1.106
  204   2HG2  ILE 548          2HG2      ILE 548   4.836  -5.512   2.566
  205   3HG2  ILE 548          3HG2      ILE 548   5.503  -5.124   0.981
  206   1HD1  ILE 548          1HD1      ILE 548   3.019  -3.317   4.147
  207   2HD1  ILE 548          2HD1      ILE 548   2.801  -1.825   3.234
  208   3HD1  ILE 548          3HD1      ILE 548   4.045  -1.922   4.479
  209    H    ASP 549           H        ASP 549   5.290  -4.839  -1.066
  210    HA   ASP 549           HA       ASP 549   2.959  -5.815  -2.566
  211   1HB   ASP 549          2HB       ASP 549   4.293  -4.379  -4.026
  212   2HB   ASP 549          1HB       ASP 549   5.737  -5.314  -3.657
  213    H    HIS 550           H        HIS 550   2.609  -7.880  -2.128
  214    HA   HIS 550           HA       HIS 550   4.675  -9.531  -0.976
  215   1HB   HIS 550          2HB       HIS 550   1.823 -10.216  -1.725
  216   2HB   HIS 550          1HB       HIS 550   2.905 -11.224  -0.768
  217    HD2  HIS 550           2HD      HIS 550   2.355  -7.382  -0.165
  218    HE1  HIS 550           1HE      HIS 550   1.049  -9.572   3.212
  219    HE2  HIS 550           2HE      HIS 550   1.619  -7.269   2.320
  220    H    ALA 551           H        ALA 551   3.220  -9.043  -4.082
  221    HA   ALA 551           HA       ALA 551   3.647 -11.434  -5.381
  222   1HB   ALA 551          1HB       ALA 551   2.899 -10.216  -7.079
  223   2HB   ALA 551          2HB       ALA 551   4.441  -9.363  -7.155
  224   3HB   ALA 551          3HB       ALA 551   3.141  -8.746  -6.135
  225    H    SER 552           H        SER 552   5.965  -8.841  -4.748
  226    HA   SER 552           HA       SER 552   8.133 -10.712  -5.431
  227   1HB   SER 552          2HB       SER 552   7.562  -8.348  -6.767
  228   2HB   SER 552          1HB       SER 552   8.873  -7.902  -5.673
  229    HG   SER 552           HG       SER 552   8.877  -9.610  -7.853
  230    H    ARG 553           H        ARG 553   6.663  -9.200  -2.930
  231    HA   ARG 553           HA       ARG 553   7.236  -8.759  -0.785
  232   1HB   ARG 553          2HB       ARG 553   9.670 -10.311  -1.641
  233   2HB   ARG 553          1HB       ARG 553   9.480  -9.694  -0.005
  234   1HG   ARG 553          2HG       ARG 553   7.607 -11.603  -1.388
  235   2HG   ARG 553          1HG       ARG 553   8.812 -12.032  -0.173
  236   1HD   ARG 553          2HD       ARG 553   7.595 -10.275   1.292
  237   2HD   ARG 553          1HD       ARG 553   6.272 -10.479   0.146
  238    HE   ARG 553           HE       ARG 553   7.167 -12.374   2.133
  239   1HH1  ARG 553          1HH1      ARG 553   5.357 -11.898  -0.808
  240   2HH1  ARG 553          2HH1      ARG 553   4.389 -13.316  -0.592
  241   1HH2  ARG 553          1HH2      ARG 553   5.901 -14.245   2.421
  242   2HH2  ARG 553          2HH2      ARG 553   4.697 -14.650   1.243
  243    H    ARG 554           H        ARG 554   7.297  -6.534  -1.974
  244    HA   ARG 554           HA       ARG 554   9.681  -5.185  -1.000
  245   1HB   ARG 554          2HB       ARG 554   8.746  -4.708  -3.830
  246   2HB   ARG 554          1HB       ARG 554  10.176  -4.054  -3.044
  247   1HG   ARG 554          2HG       ARG 554  11.059  -6.380  -2.876
  248   2HG   ARG 554          1HG       ARG 554   9.688  -6.909  -3.851
  249   1HD   ARG 554          2HD       ARG 554  11.919  -6.430  -5.034
  250   2HD   ARG 554          1HD       ARG 554  10.442  -5.784  -5.744
  251    HE   ARG 554           HE       ARG 554  12.600  -4.286  -4.515
  252   1HH1  ARG 554          1HH1      ARG 554   9.311  -4.238  -5.691
  253   2HH1  ARG 554          2HH1      ARG 554   9.287  -2.523  -5.913
  254   1HH2  ARG 554          1HH2      ARG 554  12.564  -2.031  -4.806
  255   2HH2  ARG 554          2HH2      ARG 554  11.131  -1.268  -5.411
  256    H    THR 555           H        THR 555   9.210  -2.673  -2.044
  257    HA   THR 555           HA       THR 555   6.438  -2.003  -1.401
  258    HB   THR 555           HB       THR 555   7.156  -0.173   0.122
  259    HG1  THR 555           1HG      THR 555   9.676  -1.357  -0.365
  260   1HG2  THR 555          1HG2      THR 555   8.317  -2.409   1.563
  261   2HG2  THR 555          2HG2      THR 555   6.853  -2.870   0.695
  262   3HG2  THR 555          3HG2      THR 555   6.810  -1.543   1.854
  263    H    THR 556           H        THR 556   6.295   0.567  -1.530
  264    HA   THR 556           HA       THR 556   8.024   1.895  -3.333
  265    HB   THR 556           HB       THR 556   7.232   0.729  -5.163
  266    HG1  THR 556           1HG      THR 556   5.773   2.160  -6.229
  267   1HG2  THR 556          1HG2      THR 556   5.574  -0.639  -4.064
  268   2HG2  THR 556          2HG2      THR 556   4.846   0.108  -5.486
  269   3HG2  THR 556          3HG2      THR 556   4.501   0.748  -3.879
  270    H    TRP 557           H        TRP 557   7.086   3.996  -4.078
  271    HA   TRP 557           HA       TRP 557   5.551   5.151  -1.896
  272   1HB   TRP 557          2HB       TRP 557   7.003   6.381  -4.240
  273   2HB   TRP 557          1HB       TRP 557   6.090   7.309  -3.057
  274    HD1  TRP 557           HD       TRP 557   9.485   6.741  -3.745
  275    HE1  TRP 557           1HE      TRP 557  10.963   6.746  -1.635
  276    HE3  TRP 557           3HE      TRP 557   5.852   6.098  -0.230
  277    HZ2  TRP 557           2HZ      TRP 557  10.624   6.505   1.161
  278    HZ3  TRP 557           3HZ      TRP 557   6.505   5.996   2.146
  279    HH2  TRP 557           HH       TRP 557   8.842   6.193   2.823
  280    H    ILE 558           H        ILE 558   4.461   3.474  -4.298
  281    HA   ILE 558           HA       ILE 558   2.296   5.366  -4.916
  282    HB   ILE 558           HB       ILE 558   3.346   3.311  -6.849
  283   1HG1  ILE 558          2HG1      ILE 558   4.944   5.226  -6.202
  284   2HG1  ILE 558          1HG1      ILE 558   4.625   4.975  -7.919
  285   1HG2  ILE 558          1HG2      ILE 558   2.063   5.183  -8.321
  286   2HG2  ILE 558          2HG2      ILE 558   1.115   5.225  -6.834
  287   3HG2  ILE 558          3HG2      ILE 558   1.306   3.709  -7.714
  288   1HD1  ILE 558          1HD1      ILE 558   3.409   7.083  -6.147
  289   2HD1  ILE 558          2HD1      ILE 558   2.977   6.811  -7.835
  290   3HD1  ILE 558          3HD1      ILE 558   4.611   7.324  -7.415
  291    H    ASP 559           H        ASP 559   0.235   4.518  -5.170
  292    HA   ASP 559           HA       ASP 559  -0.143   1.907  -3.903
  293   1HB   ASP 559          2HB       ASP 559  -2.224   4.042  -4.365
  294   2HB   ASP 559          1HB       ASP 559  -2.333   2.656  -3.285
  295    HA   PRO 560           HA       PRO 560  -0.995   0.369  -8.088
  296   1HB   PRO 560          2HB       PRO 560  -2.261  -1.917  -6.975
  297   2HB   PRO 560          1HB       PRO 560  -0.625  -1.813  -7.624
  298   1HG   PRO 560          2HG       PRO 560  -1.549  -1.734  -4.816
  299   2HG   PRO 560          1HG       PRO 560   0.005  -2.252  -5.481
  300   1HD   PRO 560          2HD       PRO 560  -0.299   0.062  -4.139
  301   2HD   PRO 560          1HD       PRO 560   0.872  -0.118  -5.460
  302    H    ARG 561           H        ARG 561  -3.231   0.353  -5.366
  303    HA   ARG 561           HA       ARG 561  -5.644  -0.056  -6.617
  304   1HB   ARG 561          2HB       ARG 561  -6.465   1.705  -4.811
  305   2HB   ARG 561          1HB       ARG 561  -5.921   0.099  -4.349
  306   1HG   ARG 561          2HG       ARG 561  -4.217   0.910  -3.170
  307   2HG   ARG 561          1HG       ARG 561  -3.740   2.010  -4.465
  308   1HD   ARG 561          2HD       ARG 561  -4.392   3.615  -3.039
  309   2HD   ARG 561          1HD       ARG 561  -6.014   3.192  -3.582
  310    HE   ARG 561           HE       ARG 561  -5.555   1.494  -1.510
  311   1HH1  ARG 561          1HH1      ARG 561  -5.407   4.952  -1.903
  312   2HH1  ARG 561          2HH1      ARG 561  -5.833   5.287  -0.258
  313   1HH2  ARG 561          1HH2      ARG 561  -6.120   1.922   0.654
  314   2HH2  ARG 561          2HH2      ARG 561  -6.237   3.563   1.198
  315    H    ASN 562           H        ASN 562  -3.614   2.780  -6.699
  316    HA   ASN 562           HA       ASN 562  -5.522   4.019  -8.560
  317   1HB   ASN 562          2HB       ASN 562  -3.793   5.688  -6.759
  318   2HB   ASN 562          1HB       ASN 562  -5.254   6.150  -7.627
  319   1HD2  ASN 562          1HD2      ASN 562  -4.162   5.812  -4.676
  320   2HD2  ASN 562          2HD2      ASN 562  -5.565   5.230  -3.853
  321    H    GLY 563           H        GLY 563  -2.180   4.420  -7.369
  322   1HA   GLY 563          2HA       GLY 563  -0.323   3.905  -8.870
  323   2HA   GLY 563          1HA       GLY 563  -1.311   4.516 -10.189
  324    H    ARG 564           H        ARG 564  -0.950   6.019  -7.024
  325    HA   ARG 564           HA       ARG 564   0.706   8.128  -8.214
  326   1HB   ARG 564          2HB       ARG 564  -1.718   8.710  -6.505
  327   2HB   ARG 564          1HB       ARG 564  -0.674   9.880  -7.301
  328   1HG   ARG 564          2HG       ARG 564  -1.641   9.574  -9.329
  329   2HG   ARG 564          1HG       ARG 564  -2.010   7.878  -9.023
  330   1HD   ARG 564          2HD       ARG 564  -4.117   8.708  -8.899
  331   2HD   ARG 564          1HD       ARG 564  -3.635   8.961  -7.222
  332    HE   ARG 564           HE       ARG 564  -3.768  11.212  -7.575
  333   1HH1  ARG 564          1HH1      ARG 564  -3.547   9.606 -10.659
  334   2HH1  ARG 564          2HH1      ARG 564  -3.794  11.054 -11.577
  335   1HH2  ARG 564          1HH2      ARG 564  -4.094  13.124  -8.772
  336   2HH2  ARG 564          2HH2      ARG 564  -4.104  13.055 -10.503
  337    H    ALA 565           H        ALA 565   1.401   9.716  -6.415
  338    HA   ALA 565           HA       ALA 565   2.868   8.233  -4.511
  339   1HB   ALA 565          1HB       ALA 565   2.613  11.058  -3.880
  340   2HB   ALA 565          2HB       ALA 565   3.021  10.768  -5.572
  341   3HB   ALA 565          3HB       ALA 565   4.044  10.113  -4.293
  342    H    SER 566           H        SER 566   2.215   7.419  -2.650
  343    HA   SER 566           HA       SER 566  -0.330   7.936  -1.531
  344   1HB   SER 566          2HB       SER 566   0.393   5.830  -0.951
  345   2HB   SER 566          1HB       SER 566   2.067   6.344  -0.748
  346    HG   SER 566           HG       SER 566   1.598   7.111   1.248
  347   1H    THR 227          1HT       THR 227  16.782   8.973   0.487
  348   2H    THR 227          2HT       THR 227  16.839   8.941  -1.203
  349   3H    THR 227          3HT       THR 227  17.722   7.812  -0.306
  350    HA   THR 227           HA       THR 227  14.826   7.952  -0.780
  351    HB   THR 227           HB       THR 227  15.123   5.511  -1.163
  352    HG1  THR 227           1HG      THR 227  17.112   4.607  -1.046
  353   1HG2  THR 227          1HG2      THR 227  17.125   6.938  -2.875
  354   2HG2  THR 227          2HG2      THR 227  15.421   7.388  -2.936
  355   3HG2  THR 227          3HG2      THR 227  15.913   5.743  -3.336
  356    H    GLY 228           H        GLY 228  13.368   7.158   0.658
  357   1HA   GLY 228          2HA       GLY 228  14.391   5.932   3.128
  358   2HA   GLY 228          1HA       GLY 228  13.341   7.337   3.240
  359    H    LEU 229           H        LEU 229  13.260   4.405   1.215
  360    HA   LEU 229           HA       LEU 229  10.499   3.981   2.145
  361   1HB   LEU 229          2HB       LEU 229  10.541   4.434  -0.205
  362   2HB   LEU 229          1HB       LEU 229  11.832   3.277  -0.464
  363    HG   LEU 229           HG       LEU 229   9.819   1.744   0.658
  364   1HD1  LEU 229          1HD1      LEU 229   8.018   3.136   0.468
  365   2HD1  LEU 229          2HD1      LEU 229   7.984   2.372  -1.121
  366   3HD1  LEU 229          3HD1      LEU 229   8.677   3.982  -0.932
  367   1HD2  LEU 229          1HD2      LEU 229  10.641   0.574  -1.046
  368   2HD2  LEU 229          2HD2      LEU 229  11.208   2.032  -1.860
  369   3HD2  LEU 229          3HD2      LEU 229   9.551   1.479  -2.096
  370    HA   PRO 230           HA       PRO 230  12.748   0.539   4.210
  371   1HB   PRO 230          2HB       PRO 230   9.994   0.318   5.324
  372   2HB   PRO 230          1HB       PRO 230  11.551   0.260   6.157
  373   1HG   PRO 230          2HG       PRO 230  10.019   2.432   6.295
  374   2HG   PRO 230          1HG       PRO 230  11.782   2.568   6.164
  375   1HD   PRO 230          2HD       PRO 230   9.686   3.005   4.086
  376   2HD   PRO 230          1HD       PRO 230  11.225   3.854   4.335
  377    H    SER 231           H        SER 231  12.977  -0.928   2.573
  378    HA   SER 231           HA       SER 231  11.013  -1.965   0.928
  379   1HB   SER 231          2HB       SER 231  13.515  -2.253   0.688
  380   2HB   SER 231          1HB       SER 231  13.409  -3.536   1.892
  381    HG   SER 231           HG       SER 231  12.788  -4.807   0.356
  382    H    TYR 232           H        TYR 232   9.791  -3.833   0.918
  383    HA   TYR 232           HA       TYR 232   8.545  -4.536   3.324
  384   1HB   TYR 232          2HB       TYR 232   7.401  -4.754   1.209
  385   2HB   TYR 232          1HB       TYR 232   8.586  -5.920   0.638
  386    HD1  TYR 232           1HD      TYR 232   7.711  -6.402   4.080
  387    HD2  TYR 232           2HD      TYR 232   6.475  -7.224   0.095
  388    HE1  TYR 232           1HE      TYR 232   6.299  -8.240   4.905
  389    HE2  TYR 232           2HE      TYR 232   5.058  -9.066   0.908
  390    HH   TYR 232           HH       TYR 232   3.923  -9.459   3.611
  391    H    ASP 233           H        ASP 233  10.252  -5.109   4.752
  392    HA   ASP 233           HA       ASP 233  10.667  -7.864   5.035
  393   1HB   ASP 233          2HB       ASP 233  12.208  -7.385   3.079
  394   2HB   ASP 233          1HB       ASP 233  13.184  -6.428   4.189
  395    H    GLU 234           H        GLU 234  12.029  -4.657   5.674
  396    HA   GLU 234           HA       GLU 234  12.664  -5.504   8.412
  397   1HB   GLU 234          2HB       GLU 234  13.464  -2.921   7.072
  398   2HB   GLU 234          1HB       GLU 234  14.112  -3.602   8.558
  399   1HG   GLU 234          2HG       GLU 234  14.423  -4.780   5.805
  400   2HG   GLU 234          1HG       GLU 234  15.649  -3.866   6.683
  401    H    ALA 235           H        ALA 235  10.655  -3.348   6.550
  402    HA   ALA 235           HA       ALA 235   9.702  -1.967   8.931
  403   1HB   ALA 235          1HB       ALA 235   9.589  -1.502   6.038
  404   2HB   ALA 235          2HB       ALA 235   9.664  -0.351   7.374
  405   3HB   ALA 235          3HB       ALA 235   8.119  -1.067   6.911
  406    H    LEU 236           H        LEU 236   9.110  -4.497   9.346
  407    HA   LEU 236           HA       LEU 236   6.216  -4.537   9.192
  408   1HB   LEU 236          2HB       LEU 236   7.732  -5.991   7.330
  409   2HB   LEU 236          1HB       LEU 236   7.173  -7.170   8.499
  410    HG   LEU 236           HG       LEU 236   4.865  -5.842   8.046
  411   1HD1  LEU 236          1HD1      LEU 236   5.185  -5.946   5.307
  412   2HD1  LEU 236          2HD1      LEU 236   6.650  -5.138   5.871
  413   3HD1  LEU 236          3HD1      LEU 236   5.066  -4.488   6.292
  414   1HD2  LEU 236          1HD2      LEU 236   4.617  -8.078   7.843
  415   2HD2  LEU 236          2HD2      LEU 236   6.131  -8.275   6.959
  416   3HD2  LEU 236          3HD2      LEU 236   4.689  -7.703   6.121
  417    H    HIS 237           H        HIS 237   6.626  -4.178  11.477
  418    HA   HIS 237           HA       HIS 237   6.518  -6.609  12.959
  419   1HB   HIS 237          2HB       HIS 237   8.501  -6.138  14.403
  420   2HB   HIS 237          1HB       HIS 237   8.917  -6.574  12.749
  421    HD1  HIS 237           1HD      HIS 237  10.242  -4.529  15.120
  422    HD2  HIS 237           2HD      HIS 237   8.866  -3.726  11.281
  423    HE1  HIS 237           1HE      HIS 237  11.382  -2.396  14.429
  424    HE2  HIS 237           2HE      HIS 237  10.608  -1.983  12.068
  Start of MODEL   27
    1   1H    GLY 521          1HT       GLY 521 -27.739   0.715   0.002
    2   2H    GLY 521          2HT       GLY 521 -26.484   1.484  -0.830
    3   3H    GLY 521          3HT       GLY 521 -27.409   2.350   0.289
    4   1HA   GLY 521          2HA       GLY 521 -25.322   0.334   0.765
    5   2HA   GLY 521          1HA       GLY 521 -26.585   0.577   1.962
    6    HA   PRO 522           HA       PRO 522 -25.196   4.929   2.692
    7   1HB   PRO 522          2HB       PRO 522 -25.640   3.884   5.447
    8   2HB   PRO 522          1HB       PRO 522 -26.123   5.430   4.737
    9   1HG   PRO 522          2HG       PRO 522 -27.913   3.499   5.133
   10   2HG   PRO 522          1HG       PRO 522 -27.975   4.517   3.682
   11   1HD   PRO 522          2HD       PRO 522 -27.037   1.700   3.985
   12   2HD   PRO 522          1HD       PRO 522 -27.894   2.467   2.632
   13    H    LEU 523           H        LEU 523 -24.221   1.884   4.178
   14    HA   LEU 523           HA       LEU 523 -21.521   3.000   4.555
   15   1HB   LEU 523          2HB       LEU 523 -23.236   1.716   6.415
   16   2HB   LEU 523          1HB       LEU 523 -21.899   0.625   6.100
   17    HG   LEU 523           HG       LEU 523 -21.399   2.000   8.024
   18   1HD1  LEU 523          1HD1      LEU 523 -19.627   3.337   6.109
   19   2HD1  LEU 523          2HD1      LEU 523 -19.733   1.586   5.919
   20   3HD1  LEU 523          3HD1      LEU 523 -19.246   2.278   7.467
   21   1HD2  LEU 523          1HD2      LEU 523 -21.548   4.291   8.114
   22   2HD2  LEU 523          2HD2      LEU 523 -22.896   3.912   7.042
   23   3HD2  LEU 523          3HD2      LEU 523 -21.368   4.479   6.369
   24    H    GLY 524           H        GLY 524 -22.717   1.684   2.185
   25   1HA   GLY 524          2HA       GLY 524 -20.621  -0.332   1.845
   26   2HA   GLY 524          1HA       GLY 524 -22.282  -0.827   1.552
   27    H    SER 525           H        SER 525 -20.168   1.914   0.676
   28    HA   SER 525           HA       SER 525 -21.104   1.589  -2.101
   29   1HB   SER 525          2HB       SER 525 -20.119   4.249  -1.213
   30   2HB   SER 525          1HB       SER 525 -21.400   3.845  -2.355
   31    HG   SER 525           HG       SER 525 -22.328   4.693  -0.506
   32    H    GLY 526           H        GLY 526 -18.444   2.942  -0.144
   33   1HA   GLY 526          2HA       GLY 526 -16.510   1.636  -1.868
   34   2HA   GLY 526          1HA       GLY 526 -16.503   3.391  -1.947
   35    H    GLU 527           H        GLU 527 -16.201   4.549   0.125
   36    HA   GLU 527           HA       GLU 527 -14.904   5.008   1.938
   37   1HB   GLU 527          2HB       GLU 527 -15.249   2.126   2.743
   38   2HB   GLU 527          1HB       GLU 527 -15.048   3.531   3.781
   39   1HG   GLU 527          2HG       GLU 527 -17.247   3.583   4.000
   40   2HG   GLU 527          1HG       GLU 527 -17.344   4.062   2.305
   41    H    GLU 528           H        GLU 528 -13.190   5.047   0.183
   42    HA   GLU 528           HA       GLU 528 -11.020   4.712  -0.407
   43   1HB   GLU 528          2HB       GLU 528 -10.489   4.913   1.931
   44   2HB   GLU 528          1HB       GLU 528 -10.979   3.253   2.235
   45   1HG   GLU 528          2HG       GLU 528  -9.000   3.161   0.236
   46   2HG   GLU 528          1HG       GLU 528  -8.425   4.269   1.481
   47    H    GLU 529           H        GLU 529  -9.945   3.333  -1.741
   48    HA   GLU 529           HA       GLU 529 -11.230   0.798  -2.288
   49   1HB   GLU 529          2HB       GLU 529 -10.609   2.260  -4.148
   50   2HB   GLU 529          1HB       GLU 529  -8.921   2.176  -3.661
   51   1HG   GLU 529          2HG       GLU 529  -8.623   0.114  -4.524
   52   2HG   GLU 529          1HG       GLU 529 -10.273  -0.394  -4.175
   53    HA   PRO 530           HA       PRO 530  -8.366  -1.473   0.297
   54   1HB   PRO 530          2HB       PRO 530  -9.240  -3.773  -1.349
   55   2HB   PRO 530          1HB       PRO 530  -9.293  -3.558   0.403
   56   1HG   PRO 530          2HG       PRO 530 -11.518  -3.447  -1.072
   57   2HG   PRO 530          1HG       PRO 530 -11.287  -2.389   0.333
   58   1HD   PRO 530          2HD       PRO 530 -11.027  -1.760  -2.580
   59   2HD   PRO 530          1HD       PRO 530 -11.708  -0.775  -1.269
   60    H    LEU 531           H        LEU 531  -6.464  -2.763   0.064
   61    HA   LEU 531           HA       LEU 531  -4.893  -2.068  -2.234
   62   1HB   LEU 531          2HB       LEU 531  -3.954  -4.121  -0.297
   63   2HB   LEU 531          1HB       LEU 531  -3.077  -2.780  -1.012
   64    HG   LEU 531           HG       LEU 531  -4.961  -1.533   0.591
   65   1HD1  LEU 531          1HD1      LEU 531  -5.665  -3.077   2.047
   66   2HD1  LEU 531          2HD1      LEU 531  -4.070  -2.895   2.775
   67   3HD1  LEU 531          3HD1      LEU 531  -4.373  -4.202   1.630
   68   1HD2  LEU 531          1HD2      LEU 531  -3.026  -0.480   0.889
   69   2HD2  LEU 531          2HD2      LEU 531  -2.092  -1.919   0.473
   70   3HD2  LEU 531          3HD2      LEU 531  -2.673  -1.690   2.122
   71    HA   PRO 532           HA       PRO 532  -5.620  -5.408  -4.991
   72   1HB   PRO 532          2HB       PRO 532  -2.648  -5.627  -5.105
   73   2HB   PRO 532          1HB       PRO 532  -3.820  -5.541  -6.422
   74   1HG   PRO 532          2HG       PRO 532  -2.385  -3.418  -5.765
   75   2HG   PRO 532          1HG       PRO 532  -4.094  -3.250  -6.203
   76   1HD   PRO 532          2HD       PRO 532  -2.807  -3.108  -3.517
   77   2HD   PRO 532          1HD       PRO 532  -4.216  -2.233  -4.141
   78    HA   PRO 533           HA       PRO 533  -5.115  -9.424  -3.317
   79   1HB   PRO 533          2HB       PRO 533  -3.366 -10.417  -5.459
   80   2HB   PRO 533          1HB       PRO 533  -4.980 -10.940  -4.981
   81   1HG   PRO 533          2HG       PRO 533  -4.565  -9.557  -7.237
   82   2HG   PRO 533          1HG       PRO 533  -6.028  -9.325  -6.262
   83   1HD   PRO 533          2HD       PRO 533  -3.568  -7.634  -6.432
   84   2HD   PRO 533          1HD       PRO 533  -5.270  -7.140  -6.322
   85    H    ARG 534           H        ARG 534  -2.172  -7.798  -3.902
   86    HA   ARG 534           HA       ARG 534  -0.937  -9.439  -1.822
   87   1HB   ARG 534          2HB       ARG 534   0.184  -9.082  -4.591
   88   2HB   ARG 534          1HB       ARG 534   1.203  -9.496  -3.220
   89   1HG   ARG 534          2HG       ARG 534  -1.214 -11.125  -3.913
   90   2HG   ARG 534          1HG       ARG 534   0.342 -11.393  -4.702
   91   1HD   ARG 534          2HD       ARG 534   1.391 -11.893  -2.613
   92   2HD   ARG 534          1HD       ARG 534  -0.043 -11.397  -1.714
   93    HE   ARG 534           HE       ARG 534  -0.524 -13.553  -3.549
   94   1HH1  ARG 534          1HH1      ARG 534   0.552 -12.707  -0.348
   95   2HH1  ARG 534          2HH1      ARG 534   0.159 -14.251   0.333
   96   1HH2  ARG 534          1HH2      ARG 534  -1.044 -15.590  -2.665
   97   2HH2  ARG 534          2HH2      ARG 534  -0.747 -15.890  -0.985
   98    H    TRP 535           H        TRP 535  -1.884  -6.867  -1.535
   99    HA   TRP 535           HA       TRP 535   0.656  -5.480  -1.083
  100   1HB   TRP 535          2HB       TRP 535  -1.768  -4.266  -2.388
  101   2HB   TRP 535          1HB       TRP 535  -0.399  -3.329  -1.790
  102    HD1  TRP 535           HD       TRP 535  -1.032  -6.214  -4.299
  103    HE1  TRP 535           1HE      TRP 535   0.616  -5.943  -6.253
  104    HE3  TRP 535           3HE      TRP 535   1.586  -2.193  -2.564
  105    HZ2  TRP 535           2HZ      TRP 535   2.767  -4.229  -6.954
  106    HZ3  TRP 535           3HZ      TRP 535   3.426  -1.298  -3.928
  107    HH2  TRP 535           HH       TRP 535   4.004  -2.298  -6.080
  108    H    SER 536           H        SER 536   0.387  -3.515   0.301
  109    HA   SER 536           HA       SER 536  -1.835  -3.461   2.126
  110   1HB   SER 536          2HB       SER 536   0.552  -4.974   2.766
  111   2HB   SER 536          1HB       SER 536   0.280  -3.691   3.927
  112    HG   SER 536           HG       SER 536  -2.024  -4.609   3.793
  113    H    MET 537           H        MET 537  -0.711  -2.092   4.205
  114    HA   MET 537           HA       MET 537   0.571   0.236   2.944
  115   1HB   MET 537          2HB       MET 537  -1.707   0.232   4.922
  116   2HB   MET 537          1HB       MET 537  -0.826   1.673   4.430
  117   1HG   MET 537          2HG       MET 537  -1.515   0.825   2.024
  118   2HG   MET 537          1HG       MET 537  -2.804   0.048   2.941
  119   1HE   MET 537          1HE       MET 537  -1.311   2.848   1.360
  120   2HE   MET 537          2HE       MET 537  -1.293   4.044   2.656
  121   3HE   MET 537          3HE       MET 537  -2.522   4.130   1.394
  122    H    GLN 538           H        GLN 538   1.869   1.529   4.333
  123    HA   GLN 538           HA       GLN 538   2.314   0.865   7.058
  124   1HB   GLN 538          2HB       GLN 538   3.411  -1.082   6.029
  125   2HB   GLN 538          1HB       GLN 538   4.443  -0.007   5.096
  126   1HG   GLN 538          2HG       GLN 538   5.771  -0.698   6.879
  127   2HG   GLN 538          1HG       GLN 538   5.224   0.915   7.336
  128   1HE2  GLN 538          1HE2      GLN 538   5.669  -2.147   8.424
  129   2HE2  GLN 538          2HE2      GLN 538   4.571  -2.145   9.758
  130    H    VAL 539           H        VAL 539   3.120   2.598   8.050
  131    HA   VAL 539           HA       VAL 539   3.987   4.850   6.445
  132    HB   VAL 539           HB       VAL 539   2.444   5.192   8.344
  133   1HG1  VAL 539          1HG1      VAL 539   4.197   3.493   9.692
  134   2HG1  VAL 539          2HG1      VAL 539   2.798   4.332  10.363
  135   3HG1  VAL 539          3HG1      VAL 539   4.398   5.069  10.459
  136   1HG2  VAL 539          1HG2      VAL 539   3.293   7.238   8.869
  137   2HG2  VAL 539          2HG2      VAL 539   4.366   6.835   7.529
  138   3HG2  VAL 539          3HG2      VAL 539   4.909   6.610   9.191
  139    H    ALA 540           H        ALA 540   6.039   5.370   6.058
  140    HA   ALA 540           HA       ALA 540   8.141   3.913   7.482
  141   1HB   ALA 540          1HB       ALA 540   7.792   4.866   4.778
  142   2HB   ALA 540          2HB       ALA 540   8.926   3.675   5.416
  143   3HB   ALA 540          3HB       ALA 540   9.335   5.390   5.453
  144    HA   PRO 541           HA       PRO 541   9.800   7.411   9.588
  145   1HB   PRO 541          2HB       PRO 541  12.465   7.318   9.100
  146   2HB   PRO 541          1HB       PRO 541  11.644   6.147  10.138
  147   1HG   PRO 541          2HG       PRO 541  12.483   5.882   7.278
  148   2HG   PRO 541          1HG       PRO 541  12.616   4.704   8.599
  149   1HD   PRO 541          2HD       PRO 541  10.653   4.603   6.727
  150   2HD   PRO 541          1HD       PRO 541  10.421   4.040   8.395
  151    H    ASN 542           H        ASN 542  10.504   7.141   6.192
  152    HA   ASN 542           HA       ASN 542  11.772   9.512   5.608
  153   1HB   ASN 542          2HB       ASN 542  11.271   7.751   3.950
  154   2HB   ASN 542          1HB       ASN 542   9.569   8.199   3.998
  155   1HD2  ASN 542          1HD2      ASN 542   9.423   8.784   1.880
  156   2HD2  ASN 542          2HD2      ASN 542  10.219  10.165   1.216
  157    H    GLY 543           H        GLY 543   8.418   8.954   6.438
  158   1HA   GLY 543          2HA       GLY 543   7.395  10.921   7.593
  159   2HA   GLY 543          1HA       GLY 543   7.939  11.860   6.212
  160    H    ARG 544           H        ARG 544   7.113   9.159   4.715
  161    HA   ARG 544           HA       ARG 544   4.239   9.761   4.640
  162   1HB   ARG 544          2HB       ARG 544   4.198   9.708   2.248
  163   2HB   ARG 544          1HB       ARG 544   5.446  10.846   2.737
  164   1HG   ARG 544          2HG       ARG 544   6.760   8.406   2.508
  165   2HG   ARG 544          1HG       ARG 544   5.656   8.466   1.132
  166   1HD   ARG 544          2HD       ARG 544   7.871   9.434   0.633
  167   2HD   ARG 544          1HD       ARG 544   6.557  10.593   0.447
  168    HE   ARG 544           HE       ARG 544   7.643  10.769   3.047
  169   1HH1  ARG 544          1HH1      ARG 544   8.375  11.549  -0.267
  170   2HH1  ARG 544          2HH1      ARG 544   9.391  12.892   0.138
  171   1HH2  ARG 544          1HH2      ARG 544   8.978  12.534   3.591
  172   2HH2  ARG 544          2HH2      ARG 544   9.734  13.452   2.332
  173    H    THR 545           H        THR 545   2.908   8.064   3.753
  174    HA   THR 545           HA       THR 545   3.824   5.461   4.613
  175    HB   THR 545           HB       THR 545   1.379   4.957   3.565
  176    HG1  THR 545           1HG      THR 545   1.081   7.171   2.982
  177   1HG2  THR 545          1HG2      THR 545   0.532   5.535   5.938
  178   2HG2  THR 545          2HG2      THR 545   2.211   5.959   6.269
  179   3HG2  THR 545          3HG2      THR 545   1.799   4.319   5.771
  180    H    PHE 546           H        PHE 546   3.984   3.630   3.331
  181    HA   PHE 546           HA       PHE 546   4.108   4.166   0.441
  182   1HB   PHE 546          2HB       PHE 546   5.842   2.306   0.432
  183   2HB   PHE 546          1HB       PHE 546   6.333   3.835   1.150
  184    HD1  PHE 546           1HD      PHE 546   6.026   0.326   1.619
  185    HD2  PHE 546           2HD      PHE 546   6.192   4.040   3.696
  186    HE1  PHE 546           1HE      PHE 546   6.657  -0.862   3.678
  187    HE2  PHE 546           2HE      PHE 546   6.826   2.852   5.759
  188    HZ   PHE 546           HZ       PHE 546   7.059   0.403   5.752
  189    H    PHE 547           H        PHE 547   4.315   1.778  -0.657
  190    HA   PHE 547           HA       PHE 547   2.002   0.252   0.340
  191   1HB   PHE 547          2HB       PHE 547   2.471   1.449  -2.265
  192   2HB   PHE 547          1HB       PHE 547   2.170  -0.283  -2.390
  193    HD1  PHE 547           1HD      PHE 547   0.797   2.856  -0.962
  194    HD2  PHE 547           2HD      PHE 547  -0.003  -1.116  -2.261
  195    HE1  PHE 547           1HE      PHE 547  -1.616   3.267  -0.718
  196    HE2  PHE 547           2HE      PHE 547  -2.417  -0.713  -2.023
  197    HZ   PHE 547           HZ       PHE 547  -3.228   1.481  -1.251
  198    H    ILE 548           H        ILE 548   2.502  -1.670   0.985
  199    HA   ILE 548           HA       ILE 548   5.016  -2.880   0.268
  200    HB   ILE 548           HB       ILE 548   2.773  -3.793   2.062
  201   1HG1  ILE 548          2HG1      ILE 548   5.323  -3.350   3.326
  202   2HG1  ILE 548          1HG1      ILE 548   4.845  -1.922   2.411
  203   1HG2  ILE 548          1HG2      ILE 548   3.961  -5.727   1.112
  204   2HG2  ILE 548          2HG2      ILE 548   4.250  -5.561   2.845
  205   3HG2  ILE 548          3HG2      ILE 548   5.488  -5.059   1.693
  206   1HD1  ILE 548          1HD1      ILE 548   4.002  -2.679   4.960
  207   2HD1  ILE 548          2HD1      ILE 548   2.615  -2.935   3.900
  208   3HD1  ILE 548          3HD1      ILE 548   3.391  -1.353   3.972
  209    H    ASP 549           H        ASP 549   5.310  -4.731  -0.896
  210    HA   ASP 549           HA       ASP 549   2.967  -5.766  -2.353
  211   1HB   ASP 549          2HB       ASP 549   4.356  -4.452  -3.863
  212   2HB   ASP 549          1HB       ASP 549   5.782  -5.369  -3.388
  213    H    HIS 550           H        HIS 550   2.549  -7.796  -1.810
  214    HA   HIS 550           HA       HIS 550   4.543  -9.430  -0.518
  215   1HB   HIS 550          2HB       HIS 550   1.674 -10.015  -1.277
  216   2HB   HIS 550          1HB       HIS 550   2.702 -11.089  -0.332
  217    HD2  HIS 550           2HD      HIS 550   2.013  -7.228   0.171
  218    HE1  HIS 550           1HE      HIS 550   1.243  -9.345   3.754
  219    HE2  HIS 550           2HE      HIS 550   1.452  -7.049   2.698
  220    H    ALA 551           H        ALA 551   3.177  -9.113  -3.692
  221    HA   ALA 551           HA       ALA 551   3.688 -11.641  -4.751
  222   1HB   ALA 551          1HB       ALA 551   4.020  -9.092  -6.307
  223   2HB   ALA 551          2HB       ALA 551   2.439  -9.710  -5.828
  224   3HB   ALA 551          3HB       ALA 551   3.477 -10.667  -6.885
  225    H    SER 552           H        SER 552   5.815  -8.864  -4.318
  226    HA   SER 552           HA       SER 552   8.081 -10.547  -5.164
  227   1HB   SER 552          2HB       SER 552   7.288  -8.018  -6.138
  228   2HB   SER 552          1HB       SER 552   8.749  -7.753  -5.186
  229    HG   SER 552           HG       SER 552   9.319  -8.269  -7.297
  230    H    ARG 553           H        ARG 553   6.657  -8.884  -2.567
  231    HA   ARG 553           HA       ARG 553   7.298  -8.698  -0.385
  232   1HB   ARG 553          2HB       ARG 553  10.000  -9.815  -1.108
  233   2HB   ARG 553          1HB       ARG 553   9.184  -9.862   0.447
  234   1HG   ARG 553          2HG       ARG 553   7.636 -11.175  -1.614
  235   2HG   ARG 553          1HG       ARG 553   9.250 -11.868  -1.454
  236   1HD   ARG 553          2HD       ARG 553   8.495 -13.015   0.294
  237   2HD   ARG 553          1HD       ARG 553   8.372 -11.486   1.162
  238    HE   ARG 553           HE       ARG 553   6.044 -11.576  -0.184
  239   1HH1  ARG 553          1HH1      ARG 553   7.680 -13.898   1.835
  240   2HH1  ARG 553          2HH1      ARG 553   6.217 -14.645   2.384
  241   1HH2  ARG 553          1HH2      ARG 553   4.112 -12.553   0.532
  242   2HH2  ARG 553          2HH2      ARG 553   4.189 -13.881   1.643
  243    H    ARG 554           H        ARG 554   7.500  -6.545  -2.096
  244    HA   ARG 554           HA       ARG 554   9.801  -5.117  -0.952
  245   1HB   ARG 554          2HB       ARG 554   8.771  -4.606  -3.735
  246   2HB   ARG 554          1HB       ARG 554  10.252  -4.004  -3.003
  247   1HG   ARG 554          2HG       ARG 554  11.236  -6.187  -3.049
  248   2HG   ARG 554          1HG       ARG 554   9.717  -6.907  -3.585
  249   1HD   ARG 554          2HD       ARG 554  10.476  -6.657  -5.665
  250   2HD   ARG 554          1HD       ARG 554  10.202  -4.928  -5.453
  251    HE   ARG 554           HE       ARG 554  12.687  -5.372  -4.404
  252   1HH1  ARG 554          1HH1      ARG 554  11.164  -5.953  -7.482
  253   2HH1  ARG 554          2HH1      ARG 554  12.632  -5.784  -8.387
  254   1HH2  ARG 554          1HH2      ARG 554  14.626  -5.151  -5.584
  255   2HH2  ARG 554          2HH2      ARG 554  14.601  -5.329  -7.306
  256    H    THR 555           H        THR 555   9.270  -2.614  -1.986
  257    HA   THR 555           HA       THR 555   6.523  -1.970  -1.213
  258    HB   THR 555           HB       THR 555   7.356  -0.083   0.210
  259    HG1  THR 555           1HG      THR 555   9.564  -0.238  -0.689
  260   1HG2  THR 555          1HG2      THR 555   6.501  -1.934   1.386
  261   2HG2  THR 555          2HG2      THR 555   8.065  -1.606   2.131
  262   3HG2  THR 555          3HG2      THR 555   7.896  -2.937   0.985
  263    H    THR 556           H        THR 556   6.243   0.549  -1.446
  264    HA   THR 556           HA       THR 556   7.870   1.873  -3.377
  265    HB   THR 556           HB       THR 556   6.775   0.325  -4.917
  266    HG1  THR 556           1HG      THR 556   7.091   2.238  -5.916
  267   1HG2  THR 556          1HG2      THR 556   4.678   0.233  -3.346
  268   2HG2  THR 556          2HG2      THR 556   4.494   0.009  -5.086
  269   3HG2  THR 556          3HG2      THR 556   4.116   1.568  -4.352
  270    H    TRP 557           H        TRP 557   6.828   3.942  -4.130
  271    HA   TRP 557           HA       TRP 557   5.371   5.111  -1.881
  272   1HB   TRP 557          2HB       TRP 557   6.956   6.274  -4.151
  273   2HB   TRP 557          1HB       TRP 557   5.953   7.279  -3.115
  274    HD1  TRP 557           HD       TRP 557   9.368   6.694  -3.458
  275    HE1  TRP 557           1HE      TRP 557  10.659   6.759  -1.232
  276    HE3  TRP 557           3HE      TRP 557   5.446   6.132  -0.243
  277    HZ2  TRP 557           2HZ      TRP 557  10.084   6.592   1.531
  278    HZ3  TRP 557           3HZ      TRP 557   5.895   6.093   2.177
  279    HH2  TRP 557           HH       TRP 557   8.167   6.316   3.044
  280    H    ILE 558           H        ILE 558   4.308   3.551  -4.428
  281    HA   ILE 558           HA       ILE 558   2.137   5.477  -4.923
  282    HB   ILE 558           HB       ILE 558   3.226   3.572  -6.987
  283   1HG1  ILE 558          2HG1      ILE 558   4.784   5.463  -6.215
  284   2HG1  ILE 558          1HG1      ILE 558   4.460   5.340  -7.943
  285   1HG2  ILE 558          1HG2      ILE 558   1.012   4.024  -7.551
  286   2HG2  ILE 558          2HG2      ILE 558   1.924   5.207  -8.486
  287   3HG2  ILE 558          3HG2      ILE 558   1.112   5.696  -7.000
  288   1HD1  ILE 558          1HD1      ILE 558   2.717   7.111  -7.642
  289   2HD1  ILE 558          2HD1      ILE 558   4.374   7.634  -7.349
  290   3HD1  ILE 558          3HD1      ILE 558   3.300   7.307  -5.990
  291    H    ASP 559           H        ASP 559   0.082   4.582  -5.430
  292    HA   ASP 559           HA       ASP 559  -0.331   1.968  -4.185
  293   1HB   ASP 559          2HB       ASP 559  -2.770   2.723  -4.204
  294   2HB   ASP 559          1HB       ASP 559  -1.673   3.620  -3.158
  295    HA   PRO 560           HA       PRO 560  -0.739   0.334  -8.374
  296   1HB   PRO 560          2HB       PRO 560  -1.778  -2.100  -7.475
  297   2HB   PRO 560          1HB       PRO 560  -0.078  -1.747  -7.782
  298   1HG   PRO 560          2HG       PRO 560  -1.558  -1.825  -5.207
  299   2HG   PRO 560          1HG       PRO 560   0.130  -2.212  -5.557
  300   1HD   PRO 560          2HD       PRO 560  -0.620   0.071  -4.328
  301   2HD   PRO 560          1HD       PRO 560   0.809  -0.027  -5.376
  302    H    ARG 561           H        ARG 561  -3.182   0.677  -5.957
  303    HA   ARG 561           HA       ARG 561  -5.423  -0.307  -7.300
  304   1HB   ARG 561          2HB       ARG 561  -5.731   2.204  -5.730
  305   2HB   ARG 561          1HB       ARG 561  -6.721   0.754  -5.727
  306   1HG   ARG 561          2HG       ARG 561  -4.636  -0.332  -4.609
  307   2HG   ARG 561          1HG       ARG 561  -4.215   1.341  -4.238
  308   1HD   ARG 561          2HD       ARG 561  -7.000   0.709  -3.671
  309   2HD   ARG 561          1HD       ARG 561  -5.869  -0.280  -2.749
  310    HE   ARG 561           HE       ARG 561  -5.249   1.582  -1.566
  311   1HH1  ARG 561          1HH1      ARG 561  -7.108   2.551  -4.350
  312   2HH1  ARG 561          2HH1      ARG 561  -7.261   4.197  -3.834
  313   1HH2  ARG 561          1HH2      ARG 561  -5.457   3.740  -0.878
  314   2HH2  ARG 561          2HH2      ARG 561  -6.320   4.875  -1.862
  315    H    ASN 562           H        ASN 562  -4.314   3.077  -7.139
  316    HA   ASN 562           HA       ASN 562  -5.666   3.529  -9.710
  317   1HB   ASN 562          2HB       ASN 562  -4.934   5.959  -8.262
  318   2HB   ASN 562          1HB       ASN 562  -6.473   5.503  -8.977
  319   1HD2  ASN 562          1HD2      ASN 562  -4.489   5.383  -6.118
  320   2HD2  ASN 562          2HD2      ASN 562  -5.754   4.975  -5.015
  321    H    GLY 563           H        GLY 563  -2.769   4.215  -7.820
  322   1HA   GLY 563          2HA       GLY 563  -0.610   4.053  -8.908
  323   2HA   GLY 563          1HA       GLY 563  -1.350   4.721 -10.355
  324    H    ARG 564           H        ARG 564  -1.711   5.871  -7.033
  325    HA   ARG 564           HA       ARG 564  -0.320   8.345  -7.825
  326   1HB   ARG 564          2HB       ARG 564  -2.858   7.978  -6.247
  327   2HB   ARG 564          1HB       ARG 564  -1.902   9.450  -6.122
  328   1HG   ARG 564          2HG       ARG 564  -2.404  10.124  -8.255
  329   2HG   ARG 564          1HG       ARG 564  -2.700   8.478  -8.821
  330   1HD   ARG 564          2HD       ARG 564  -4.876   8.739  -8.476
  331   2HD   ARG 564          1HD       ARG 564  -4.576   9.063  -6.770
  332    HE   ARG 564           HE       ARG 564  -5.041  11.250  -7.181
  333   1HH1  ARG 564          1HH1      ARG 564  -4.058   9.760 -10.172
  334   2HH1  ARG 564          2HH1      ARG 564  -4.351  11.177 -11.124
  335   1HH2  ARG 564          1HH2      ARG 564  -5.434  13.120  -8.427
  336   2HH2  ARG 564          2HH2      ARG 564  -5.133  13.087 -10.132
  337    H    ALA 565           H        ALA 565   0.451   9.627  -5.909
  338    HA   ALA 565           HA       ALA 565   2.184   8.055  -4.345
  339   1HB   ALA 565          1HB       ALA 565   2.440  10.287  -3.053
  340   2HB   ALA 565          2HB       ALA 565   1.414  10.945  -4.327
  341   3HB   ALA 565          3HB       ALA 565   2.960  10.200  -4.735
  342    H    SER 566           H        SER 566   1.387   6.642  -2.910
  343    HA   SER 566           HA       SER 566   0.180   5.755  -1.187
  344   1HB   SER 566          2HB       SER 566   0.268   7.022   0.867
  345   2HB   SER 566          1HB       SER 566   1.759   7.310  -0.027
  346    HG   SER 566           HG       SER 566   0.867   9.250   0.782
  347   1H    THR 227          1HT       THR 227  16.249   7.017  -0.138
  348   2H    THR 227          2HT       THR 227  15.968   6.646  -1.764
  349   3H    THR 227          3HT       THR 227  15.279   5.692  -0.549
  350    HA   THR 227           HA       THR 227  14.675   8.568  -0.818
  351    HB   THR 227           HB       THR 227  12.552   7.860  -1.944
  352    HG1  THR 227           1HG      THR 227  12.257   5.807  -2.498
  353   1HG2  THR 227          1HG2      THR 227  14.940   7.050  -3.583
  354   2HG2  THR 227          2HG2      THR 227  14.641   8.727  -3.129
  355   3HG2  THR 227          3HG2      THR 227  13.466   7.858  -4.117
  356    H    GLY 228           H        GLY 228  15.110   6.672   1.448
  357   1HA   GLY 228          2HA       GLY 228  14.149   6.231   3.483
  358   2HA   GLY 228          1HA       GLY 228  13.010   7.513   3.101
  359    H    LEU 229           H        LEU 229  13.120   4.905   0.876
  360    HA   LEU 229           HA       LEU 229  10.527   3.982   1.882
  361   1HB   LEU 229          2HB       LEU 229  10.446   4.708  -0.391
  362   2HB   LEU 229          1HB       LEU 229  11.844   3.742  -0.814
  363    HG   LEU 229           HG       LEU 229  10.298   1.742  -0.071
  364   1HD1  LEU 229          1HD1      LEU 229   8.142   3.460  -1.171
  365   2HD1  LEU 229          2HD1      LEU 229   8.543   3.622   0.540
  366   3HD1  LEU 229          3HD1      LEU 229   8.044   2.058  -0.105
  367   1HD2  LEU 229          1HD2      LEU 229  10.083   1.273  -2.279
  368   2HD2  LEU 229          2HD2      LEU 229  11.202   2.630  -2.420
  369   3HD2  LEU 229          3HD2      LEU 229   9.474   2.880  -2.675
  370    HA   PRO 230           HA       PRO 230  12.850   0.439   3.485
  371   1HB   PRO 230          2HB       PRO 230  10.073  -0.502   3.977
  372   2HB   PRO 230          1HB       PRO 230  11.444  -0.410   5.088
  373   1HG   PRO 230          2HG       PRO 230   9.444   1.339   5.256
  374   2HG   PRO 230          1HG       PRO 230  11.125   1.850   5.505
  375   1HD   PRO 230          2HD       PRO 230   9.365   2.218   3.114
  376   2HD   PRO 230          1HD       PRO 230  10.542   3.337   3.832
  377    H    SER 231           H        SER 231  11.532  -2.084   3.390
  378    HA   SER 231           HA       SER 231  10.722  -2.596   0.679
  379   1HB   SER 231          2HB       SER 231  13.507  -3.124   1.579
  380   2HB   SER 231          1HB       SER 231  12.730  -4.370   0.603
  381    HG   SER 231           HG       SER 231  13.879  -2.748  -0.619
  382    H    TYR 232           H        TYR 232   9.160  -3.107   2.699
  383    HA   TYR 232           HA       TYR 232   7.867  -4.756   3.597
  384   1HB   TYR 232          2HB       TYR 232   8.487  -5.888   1.378
  385   2HB   TYR 232          1HB       TYR 232   9.673  -6.795   2.309
  386    HD1  TYR 232           1HD      TYR 232   6.566  -7.043   0.915
  387    HD2  TYR 232           2HD      TYR 232   8.515  -7.744   4.633
  388    HE1  TYR 232           1HE      TYR 232   4.830  -8.681   1.512
  389    HE2  TYR 232           2HE      TYR 232   6.786  -9.382   5.239
  390    HH   TYR 232           HH       TYR 232   5.135 -10.912   3.862
  391    H    ASP 233           H        ASP 233  11.106  -6.249   3.526
  392    HA   ASP 233           HA       ASP 233  11.035  -7.473   5.982
  393   1HB   ASP 233          2HB       ASP 233  12.857  -7.471   4.105
  394   2HB   ASP 233          1HB       ASP 233  13.578  -6.178   5.059
  395    H    GLU 234           H        GLU 234  12.509  -4.286   5.338
  396    HA   GLU 234           HA       GLU 234  12.761  -3.702   8.134
  397   1HB   GLU 234          2HB       GLU 234  13.182  -2.059   5.640
  398   2HB   GLU 234          1HB       GLU 234  13.397  -1.400   7.256
  399   1HG   GLU 234          2HG       GLU 234  14.861  -3.830   6.272
  400   2HG   GLU 234          1HG       GLU 234  15.480  -2.190   6.089
  401    H    ALA 235           H        ALA 235  10.443  -2.998   5.620
  402    HA   ALA 235           HA       ALA 235   9.091  -0.850   6.784
  403   1HB   ALA 235          1HB       ALA 235   8.346  -1.134   4.668
  404   2HB   ALA 235          2HB       ALA 235   7.087  -2.059   5.485
  405   3HB   ALA 235          3HB       ALA 235   8.455  -2.892   4.748
  406    H    LEU 236           H        LEU 236   8.303  -4.326   6.972
  407    HA   LEU 236           HA       LEU 236   6.195  -3.988   8.827
  408   1HB   LEU 236          2HB       LEU 236   7.870  -6.389   8.111
  409   2HB   LEU 236          1HB       LEU 236   6.506  -6.462   9.209
  410    HG   LEU 236           HG       LEU 236   6.483  -5.896   6.256
  411   1HD1  LEU 236          1HD1      LEU 236   4.874  -7.750   6.250
  412   2HD1  LEU 236          2HD1      LEU 236   5.084  -7.924   7.992
  413   3HD1  LEU 236          3HD1      LEU 236   6.439  -8.230   6.907
  414   1HD2  LEU 236          1HD2      LEU 236   5.041  -4.234   7.233
  415   2HD2  LEU 236          2HD2      LEU 236   4.265  -5.449   8.250
  416   3HD2  LEU 236          3HD2      LEU 236   4.049  -5.497   6.500
  417    H    HIS 237           H        HIS 237   9.625  -4.143   9.185
  418    HA   HIS 237           HA       HIS 237   9.385  -4.556  12.079
  419   1HB   HIS 237          2HB       HIS 237  11.716  -4.712  10.173
  420   2HB   HIS 237          1HB       HIS 237  11.942  -4.672  11.919
  421    HD1  HIS 237           1HD      HIS 237  12.487  -6.974  12.626
  422    HD2  HIS 237           2HD      HIS 237   9.462  -6.911   9.779
  423    HE1  HIS 237           1HE      HIS 237  11.763  -9.367  12.362
  424    HE2  HIS 237           2HE      HIS 237   9.870  -9.293  10.700
  Start of MODEL   28
    1   1H    GLY 521          1HT       GLY 521  -7.527  15.899   8.590
    2   2H    GLY 521          2HT       GLY 521  -7.213  14.459   9.419
    3   3H    GLY 521          3HT       GLY 521  -6.902  15.947  10.161
    4   1HA   GLY 521          1HA       GLY 521  -8.938  16.043  10.977
    5   2HA   GLY 521          2HA       GLY 521  -9.587  15.913   9.349
    6    HA   PRO 522           HA       PRO 522 -11.101  12.144  11.427
    7   1HB   PRO 522          2HB       PRO 522 -13.367  11.916   9.979
    8   2HB   PRO 522          1HB       PRO 522 -13.225  13.041  11.335
    9   1HG   PRO 522          2HG       PRO 522 -12.991  13.579   8.398
   10   2HG   PRO 522          1HG       PRO 522 -13.844  14.513   9.642
   11   1HD   PRO 522          2HD       PRO 522 -11.383  15.194   8.702
   12   2HD   PRO 522          1HD       PRO 522 -11.921  15.555  10.355
   13    H    LEU 523           H        LEU 523 -11.716   9.996  10.546
   14    HA   LEU 523           HA       LEU 523 -10.089   9.394   8.199
   15   1HB   LEU 523          2HB       LEU 523 -11.396   7.580  10.228
   16   2HB   LEU 523          1HB       LEU 523 -10.388   7.036   8.901
   17    HG   LEU 523           HG       LEU 523  -8.692   8.772  10.078
   18   1HD1  LEU 523          1HD1      LEU 523  -8.861   8.807  12.398
   19   2HD1  LEU 523          2HD1      LEU 523 -10.039   7.495  12.429
   20   3HD1  LEU 523          3HD1      LEU 523 -10.515   9.094  11.859
   21   1HD2  LEU 523          1HD2      LEU 523  -8.612   6.211   9.516
   22   2HD2  LEU 523          2HD2      LEU 523  -8.887   6.040  11.250
   23   3HD2  LEU 523          3HD2      LEU 523  -7.474   6.919  10.664
   24    H    GLY 524           H        GLY 524 -12.039  10.639   7.122
   25   1HA   GLY 524          2HA       GLY 524 -14.462   9.222   6.710
   26   2HA   GLY 524          1HA       GLY 524 -13.865  10.551   5.728
   27    H    SER 525           H        SER 525 -14.415   9.659   3.763
   28    HA   SER 525           HA       SER 525 -12.617   7.580   2.816
   29   1HB   SER 525          2HB       SER 525 -14.992   6.772   1.651
   30   2HB   SER 525          1HB       SER 525 -14.184   5.972   2.999
   31    HG   SER 525           HG       SER 525 -15.975   8.115   3.412
   32    H    GLY 526           H        GLY 526 -12.530   7.433   0.486
   33   1HA   GLY 526          2HA       GLY 526 -13.838   8.669  -1.476
   34   2HA   GLY 526          1HA       GLY 526 -13.010  10.032  -0.740
   35    H    GLU 527           H        GLU 527 -12.799   7.591  -3.027
   36    HA   GLU 527           HA       GLU 527 -11.169   6.950  -4.478
   37   1HB   GLU 527          2HB       GLU 527 -10.327   9.602  -3.554
   38   2HB   GLU 527          1HB       GLU 527  -8.997   8.600  -4.120
   39   1HG   GLU 527          2HG       GLU 527 -11.143   8.376  -5.970
   40   2HG   GLU 527          1HG       GLU 527 -10.859  10.084  -5.639
   41    H    GLU 528           H        GLU 528 -11.285   5.827  -1.823
   42    HA   GLU 528           HA       GLU 528  -8.451   5.151  -1.398
   43   1HB   GLU 528          2HB       GLU 528 -10.171   6.159   0.450
   44   2HB   GLU 528          1HB       GLU 528 -10.390   4.434   0.706
   45   1HG   GLU 528          2HG       GLU 528  -7.622   4.872   0.512
   46   2HG   GLU 528          1HG       GLU 528  -8.263   6.131   1.564
   47    H    GLU 529           H        GLU 529  -8.767   3.645  -3.218
   48    HA   GLU 529           HA       GLU 529 -10.531   1.441  -3.039
   49   1HB   GLU 529          2HB       GLU 529  -9.622   2.078  -5.175
   50   2HB   GLU 529          1HB       GLU 529  -7.980   1.854  -4.598
   51   1HG   GLU 529          2HG       GLU 529  -8.170  -0.102  -5.683
   52   2HG   GLU 529          1HG       GLU 529  -8.939  -0.618  -4.185
   53    HA   PRO 530           HA       PRO 530  -8.492  -1.089  -0.045
   54   1HB   PRO 530          2HB       PRO 530  -9.396  -3.534  -0.829
   55   2HB   PRO 530          1HB       PRO 530 -10.396  -2.364   0.038
   56   1HG   PRO 530          2HG       PRO 530 -10.277  -2.944  -2.898
   57   2HG   PRO 530          1HG       PRO 530 -11.698  -2.695  -1.865
   58   1HD   PRO 530          2HD       PRO 530 -10.736  -0.745  -3.454
   59   2HD   PRO 530          1HD       PRO 530 -11.454  -0.393  -1.868
   60    H    LEU 531           H        LEU 531  -6.453  -1.684   0.023
   61    HA   LEU 531           HA       LEU 531  -4.633  -1.916  -1.936
   62   1HB   LEU 531          2HB       LEU 531  -3.791  -3.945  -0.213
   63   2HB   LEU 531          1HB       LEU 531  -3.345  -2.253  -0.158
   64    HG   LEU 531           HG       LEU 531  -5.855  -3.100   1.216
   65   1HD1  LEU 531          1HD1      LEU 531  -3.530  -3.170   2.952
   66   2HD1  LEU 531          2HD1      LEU 531  -3.509  -4.447   1.737
   67   3HD1  LEU 531          3HD1      LEU 531  -4.886  -4.291   2.826
   68   1HD2  LEU 531          1HD2      LEU 531  -5.739  -0.960   1.789
   69   2HD2  LEU 531          2HD2      LEU 531  -4.131  -0.803   1.083
   70   3HD2  LEU 531          3HD2      LEU 531  -4.314  -1.349   2.750
   71    HA   PRO 532           HA       PRO 532  -5.589  -5.264  -4.652
   72   1HB   PRO 532          2HB       PRO 532  -2.633  -5.624  -4.700
   73   2HB   PRO 532          1HB       PRO 532  -3.770  -5.484  -6.042
   74   1HG   PRO 532          2HG       PRO 532  -2.225  -3.438  -5.368
   75   2HG   PRO 532          1HG       PRO 532  -3.908  -3.178  -5.856
   76   1HD   PRO 532          2HD       PRO 532  -2.693  -3.091  -3.132
   77   2HD   PRO 532          1HD       PRO 532  -4.017  -2.124  -3.811
   78    HA   PRO 533           HA       PRO 533  -5.185  -9.225  -2.782
   79   1HB   PRO 533          2HB       PRO 533  -3.671 -10.426  -4.984
   80   2HB   PRO 533          1HB       PRO 533  -5.315 -10.763  -4.433
   81   1HG   PRO 533          2HG       PRO 533  -4.849  -9.499  -6.747
   82   2HG   PRO 533          1HG       PRO 533  -6.229  -9.064  -5.719
   83   1HD   PRO 533          2HD       PRO 533  -3.562  -7.710  -5.980
   84   2HD   PRO 533          1HD       PRO 533  -5.187  -6.990  -5.933
   85    H    ARG 534           H        ARG 534  -2.231  -7.756  -3.563
   86    HA   ARG 534           HA       ARG 534  -0.897  -9.521  -1.641
   87   1HB   ARG 534          2HB       ARG 534   0.118  -8.914  -4.414
   88   2HB   ARG 534          1HB       ARG 534   1.139  -9.555  -3.135
   89   1HG   ARG 534          2HG       ARG 534  -1.386 -10.954  -3.919
   90   2HG   ARG 534          1HG       ARG 534   0.103 -11.179  -4.840
   91   1HD   ARG 534          2HD       ARG 534   1.217 -12.145  -3.031
   92   2HD   ARG 534          1HD       ARG 534   0.064 -11.501  -1.860
   93    HE   ARG 534           HE       ARG 534  -1.259 -13.334  -2.213
   94   1HH1  ARG 534          1HH1      ARG 534   1.058 -13.090  -4.801
   95   2HH1  ARG 534          2HH1      ARG 534   0.648 -14.627  -5.488
   96   1HH2  ARG 534          1HH2      ARG 534  -1.805 -15.360  -3.106
   97   2HH2  ARG 534          2HH2      ARG 534  -0.980 -15.918  -4.524
   98    H    TRP 535           H        TRP 535  -1.832  -6.880  -1.252
   99    HA   TRP 535           HA       TRP 535   0.746  -5.604  -0.714
  100   1HB   TRP 535          2HB       TRP 535  -1.597  -4.189  -1.975
  101   2HB   TRP 535          1HB       TRP 535  -0.115  -3.411  -1.423
  102    HD1  TRP 535           HD       TRP 535  -1.042  -6.269  -3.883
  103    HE1  TRP 535           1HE      TRP 535   0.498  -6.086  -5.927
  104    HE3  TRP 535           3HE      TRP 535   1.799  -2.316  -2.360
  105    HZ2  TRP 535           2HZ      TRP 535   2.661  -4.451  -6.779
  106    HZ3  TRP 535           3HZ      TRP 535   3.587  -1.502  -3.842
  107    HH2  TRP 535           HH       TRP 535   4.008  -2.552  -6.005
  108    H    SER 536           H        SER 536   0.499  -3.651   0.709
  109    HA   SER 536           HA       SER 536  -1.730  -3.848   2.586
  110   1HB   SER 536          2HB       SER 536   0.762  -5.010   3.122
  111   2HB   SER 536          1HB       SER 536   0.758  -3.501   4.029
  112    HG   SER 536           HG       SER 536  -0.552  -5.789   4.548
  113    H    MET 537           H        MET 537  -0.518  -2.130   4.520
  114    HA   MET 537           HA       MET 537   0.207   0.295   3.088
  115   1HB   MET 537          2HB       MET 537  -2.358  -0.067   4.602
  116   2HB   MET 537          1HB       MET 537  -1.603   1.518   4.491
  117   1HG   MET 537          2HG       MET 537  -1.615   1.180   1.978
  118   2HG   MET 537          1HG       MET 537  -2.685  -0.188   2.275
  119   1HE   MET 537          1HE       MET 537  -2.938   4.121   2.689
  120   2HE   MET 537          2HE       MET 537  -3.743   3.700   1.176
  121   3HE   MET 537          3HE       MET 537  -2.115   3.103   1.505
  122    H    GLN 538           H        GLN 538   1.729   1.347   4.185
  123    HA   GLN 538           HA       GLN 538   1.719   1.375   7.084
  124   1HB   GLN 538          2HB       GLN 538   2.927  -0.702   6.525
  125   2HB   GLN 538          1HB       GLN 538   4.058   0.223   5.549
  126   1HG   GLN 538          2HG       GLN 538   5.319   0.351   7.369
  127   2HG   GLN 538          1HG       GLN 538   4.131   1.491   7.998
  128   1HE2  GLN 538          1HE2      GLN 538   5.897  -0.862   9.033
  129   2HE2  GLN 538          2HE2      GLN 538   4.819  -1.701  10.090
  130    H    VAL 539           H        VAL 539   2.483   3.246   7.858
  131    HA   VAL 539           HA       VAL 539   3.378   5.263   5.994
  132    HB   VAL 539           HB       VAL 539   3.244   5.528   8.996
  133   1HG1  VAL 539          1HG1      VAL 539   3.904   7.606   8.594
  134   2HG1  VAL 539          2HG1      VAL 539   2.455   7.866   7.623
  135   3HG1  VAL 539          3HG1      VAL 539   3.936   7.285   6.860
  136   1HG2  VAL 539          1HG2      VAL 539   1.042   5.239   8.908
  137   2HG2  VAL 539          2HG2      VAL 539   1.085   5.068   7.153
  138   3HG2  VAL 539          3HG2      VAL 539   0.944   6.669   7.880
  139    H    ALA 540           H        ALA 540   5.420   5.803   5.573
  140    HA   ALA 540           HA       ALA 540   7.541   4.454   7.040
  141   1HB   ALA 540          1HB       ALA 540   8.295   4.268   4.950
  142   2HB   ALA 540          2HB       ALA 540   8.756   5.965   5.082
  143   3HB   ALA 540          3HB       ALA 540   7.210   5.525   4.359
  144    HA   PRO 541           HA       PRO 541   8.636   7.861   9.632
  145   1HB   PRO 541          2HB       PRO 541  11.397   7.507   9.548
  146   2HB   PRO 541          1HB       PRO 541  10.296   6.693  10.663
  147   1HG   PRO 541          2HG       PRO 541  11.480   5.706   8.108
  148   2HG   PRO 541          1HG       PRO 541  11.174   4.828   9.618
  149   1HD   PRO 541          2HD       PRO 541   9.574   4.538   7.489
  150   2HD   PRO 541          1HD       PRO 541   8.918   4.545   9.141
  151    H    ASN 542           H        ASN 542   9.977   7.376   6.464
  152    HA   ASN 542           HA       ASN 542  11.496   9.642   6.070
  153   1HB   ASN 542          2HB       ASN 542  11.394   7.911   4.398
  154   2HB   ASN 542          1HB       ASN 542   9.670   8.170   4.161
  155   1HD2  ASN 542          1HD2      ASN 542  10.412   8.312   1.911
  156   2HD2  ASN 542          2HD2      ASN 542  10.923   9.849   1.313
  157    H    GLY 543           H        GLY 543   7.999   9.285   6.112
  158   1HA   GLY 543          2HA       GLY 543   6.940  11.432   6.957
  159   2HA   GLY 543          1HA       GLY 543   7.753  12.181   5.593
  160    H    ARG 544           H        ARG 544   7.049   9.423   4.212
  161    HA   ARG 544           HA       ARG 544   4.262  10.137   3.590
  162   1HB   ARG 544          2HB       ARG 544   4.619   9.794   1.270
  163   2HB   ARG 544          1HB       ARG 544   5.920  10.839   1.819
  164   1HG   ARG 544          2HG       ARG 544   6.836   8.193   2.093
  165   2HG   ARG 544          1HG       ARG 544   6.066   8.306   0.512
  166   1HD   ARG 544          2HD       ARG 544   8.561   8.868   0.693
  167   2HD   ARG 544          1HD       ARG 544   7.526   9.965  -0.218
  168    HE   ARG 544           HE       ARG 544   7.763  10.764   2.505
  169   1HH1  ARG 544          1HH1      ARG 544   9.424  10.767  -0.555
  170   2HH1  ARG 544          2HH1      ARG 544  10.358  12.180  -0.195
  171   1HH2  ARG 544          1HH2      ARG 544   8.985  12.630   2.990
  172   2HH2  ARG 544          2HH2      ARG 544  10.110  13.239   1.820
  173    H    THR 545           H        THR 545   2.932   8.422   2.810
  174    HA   THR 545           HA       THR 545   3.556   5.896   4.087
  175    HB   THR 545           HB       THR 545   1.194   5.443   2.808
  176    HG1  THR 545           1HG      THR 545  -0.015   7.390   3.016
  177   1HG2  THR 545          1HG2      THR 545   1.733   6.698   5.495
  178   2HG2  THR 545          2HG2      THR 545   1.470   4.994   5.125
  179   3HG2  THR 545          3HG2      THR 545   0.135   6.140   4.999
  180    H    PHE 546           H        PHE 546   3.723   3.921   3.048
  181    HA   PHE 546           HA       PHE 546   4.094   4.080   0.136
  182   1HB   PHE 546          2HB       PHE 546   5.779   2.230   0.446
  183   2HB   PHE 546          1HB       PHE 546   6.262   3.804   1.059
  184    HD1  PHE 546           1HD      PHE 546   5.948   0.371   1.784
  185    HD2  PHE 546           2HD      PHE 546   5.835   4.228   3.587
  186    HE1  PHE 546           1HE      PHE 546   6.417  -0.645   3.975
  187    HE2  PHE 546           2HE      PHE 546   6.305   3.212   5.782
  188    HZ   PHE 546           HZ       PHE 546   6.599   0.777   5.975
  189    H    PHE 547           H        PHE 547   4.226   1.664  -0.715
  190    HA   PHE 547           HA       PHE 547   1.939   0.206   0.418
  191   1HB   PHE 547          2HB       PHE 547   2.215   1.351  -2.203
  192   2HB   PHE 547          1HB       PHE 547   2.063  -0.396  -2.333
  193    HD1  PHE 547           1HD      PHE 547  -0.009  -1.458  -2.007
  194    HD2  PHE 547           2HD      PHE 547   0.454   2.643  -0.969
  195    HE1  PHE 547           1HE      PHE 547  -2.441  -1.269  -1.685
  196    HE2  PHE 547           2HE      PHE 547  -1.977   2.840  -0.645
  197    HZ   PHE 547           HZ       PHE 547  -3.428   0.882  -1.003
  198    H    ILE 548           H        ILE 548   2.446  -1.714   1.066
  199    HA   ILE 548           HA       ILE 548   4.969  -2.891   0.378
  200    HB   ILE 548           HB       ILE 548   2.697  -3.925   2.068
  201   1HG1  ILE 548          2HG1      ILE 548   5.068  -3.335   3.534
  202   2HG1  ILE 548          1HG1      ILE 548   4.698  -1.946   2.514
  203   1HG2  ILE 548          1HG2      ILE 548   5.523  -4.962   1.954
  204   2HG2  ILE 548          2HG2      ILE 548   4.173  -5.701   1.095
  205   3HG2  ILE 548          3HG2      ILE 548   4.166  -5.635   2.857
  206   1HD1  ILE 548          1HD1      ILE 548   3.693  -1.769   4.737
  207   2HD1  ILE 548          2HD1      ILE 548   2.786  -3.252   4.438
  208   3HD1  ILE 548          3HD1      ILE 548   2.474  -1.815   3.463
  209    H    ASP 549           H        ASP 549   5.321  -4.725  -0.797
  210    HA   ASP 549           HA       ASP 549   3.041  -5.777  -2.337
  211   1HB   ASP 549          2HB       ASP 549   4.497  -4.327  -3.716
  212   2HB   ASP 549          1HB       ASP 549   5.869  -5.358  -3.329
  213    H    HIS 550           H        HIS 550   2.682  -7.847  -1.962
  214    HA   HIS 550           HA       HIS 550   4.759  -9.494  -0.756
  215   1HB   HIS 550          2HB       HIS 550   1.871 -10.188  -1.326
  216   2HB   HIS 550          1HB       HIS 550   2.988 -11.094  -0.312
  217    HD2  HIS 550           2HD      HIS 550   2.397  -7.216  -0.033
  218    HE1  HIS 550           1HE      HIS 550   1.184  -9.128   3.541
  219    HE2  HIS 550           2HE      HIS 550   1.683  -6.901   2.439
  220    H    ALA 551           H        ALA 551   3.175  -9.028  -3.791
  221    HA   ALA 551           HA       ALA 551   3.531 -11.552  -4.953
  222   1HB   ALA 551          1HB       ALA 551   2.816  -8.899  -5.835
  223   2HB   ALA 551          2HB       ALA 551   2.336 -10.467  -6.482
  224   3HB   ALA 551          3HB       ALA 551   3.837  -9.714  -7.021
  225    H    SER 552           H        SER 552   5.706  -8.776  -4.710
  226    HA   SER 552           HA       SER 552   7.855 -10.451  -5.834
  227   1HB   SER 552          2HB       SER 552   6.991  -7.834  -6.568
  228   2HB   SER 552          1HB       SER 552   8.609  -7.706  -5.876
  229    HG   SER 552           HG       SER 552   8.496  -8.161  -8.192
  230    H    ARG 553           H        ARG 553   6.740  -8.888  -3.040
  231    HA   ARG 553           HA       ARG 553   7.621  -8.792  -0.936
  232   1HB   ARG 553          2HB       ARG 553  10.242  -9.815  -2.008
  233   2HB   ARG 553          1HB       ARG 553   9.619  -9.931  -0.370
  234   1HG   ARG 553          2HG       ARG 553   8.562 -11.387  -2.782
  235   2HG   ARG 553          1HG       ARG 553   9.545 -12.077  -1.490
  236   1HD   ARG 553          2HD       ARG 553   7.274 -10.744  -0.371
  237   2HD   ARG 553          1HD       ARG 553   6.750 -11.868  -1.619
  238    HE   ARG 553           HE       ARG 553   8.642 -13.057   0.147
  239   1HH1  ARG 553          1HH1      ARG 553   5.289 -12.174  -0.176
  240   2HH1  ARG 553          2HH1      ARG 553   4.729 -13.389   0.924
  241   1HH2  ARG 553          1HH2      ARG 553   7.914 -14.664   1.596
  242   2HH2  ARG 553          2HH2      ARG 553   6.220 -14.804   1.931
  243    H    ARG 554           H        ARG 554   7.467  -6.491  -2.168
  244    HA   ARG 554           HA       ARG 554   9.769  -5.036  -1.197
  245   1HB   ARG 554          2HB       ARG 554   8.979  -4.400  -4.009
  246   2HB   ARG 554          1HB       ARG 554  10.496  -4.092  -3.180
  247   1HG   ARG 554          2HG       ARG 554  11.119  -6.408  -3.343
  248   2HG   ARG 554          1HG       ARG 554   9.545  -6.817  -4.027
  249   1HD   ARG 554          2HD       ARG 554  10.756  -6.665  -5.952
  250   2HD   ARG 554          1HD       ARG 554  10.240  -4.985  -5.800
  251    HE   ARG 554           HE       ARG 554  12.686  -5.308  -4.464
  252   1HH1  ARG 554          1HH1      ARG 554  11.385  -5.318  -7.696
  253   2HH1  ARG 554          2HH1      ARG 554  12.859  -4.781  -8.430
  254   1HH2  ARG 554          1HH2      ARG 554  14.631  -4.601  -5.422
  255   2HH2  ARG 554          2HH2      ARG 554  14.704  -4.374  -7.138
  256    H    THR 555           H        THR 555   9.398  -2.588  -1.593
  257    HA   THR 555           HA       THR 555   6.516  -2.013  -1.347
  258    HB   THR 555           HB       THR 555   7.022  -0.258   0.273
  259    HG1  THR 555           1HG      THR 555   9.125   0.032   1.019
  260   1HG2  THR 555          1HG2      THR 555   8.131  -1.865   2.058
  261   2HG2  THR 555          2HG2      THR 555   7.838  -3.073   0.806
  262   3HG2  THR 555          3HG2      THR 555   6.493  -2.143   1.468
  263    H    THR 556           H        THR 556   6.386   0.615  -1.366
  264    HA   THR 556           HA       THR 556   8.112   1.991  -3.117
  265    HB   THR 556           HB       THR 556   7.365   0.715  -4.938
  266    HG1  THR 556           1HG      THR 556   5.844   2.262  -6.016
  267   1HG2  THR 556          1HG2      THR 556   4.999   0.401  -3.367
  268   2HG2  THR 556          2HG2      THR 556   5.507  -0.506  -4.792
  269   3HG2  THR 556          3HG2      THR 556   4.549   0.964  -4.976
  270    H    TRP 557           H        TRP 557   7.138   4.070  -3.892
  271    HA   TRP 557           HA       TRP 557   5.465   5.172  -1.772
  272   1HB   TRP 557          2HB       TRP 557   6.939   6.533  -4.036
  273   2HB   TRP 557          1HB       TRP 557   6.073   7.352  -2.743
  274    HD1  TRP 557           HD       TRP 557   9.447   6.797  -3.613
  275    HE1  TRP 557           1HE      TRP 557  10.995   6.656  -1.559
  276    HE3  TRP 557           3HE      TRP 557   5.926   5.976  -0.026
  277    HZ2  TRP 557           2HZ      TRP 557  10.744   6.252   1.227
  278    HZ3  TRP 557           3HZ      TRP 557   6.655   5.726   2.319
  279    HH2  TRP 557           HH       TRP 557   9.016   5.856   2.928
  280    H    ILE 558           H        ILE 558   4.475   3.465  -4.109
  281    HA   ILE 558           HA       ILE 558   2.371   5.337  -4.939
  282    HB   ILE 558           HB       ILE 558   3.549   3.268  -6.779
  283   1HG1  ILE 558          2HG1      ILE 558   5.152   5.133  -6.028
  284   2HG1  ILE 558          1HG1      ILE 558   4.929   4.911  -7.765
  285   1HG2  ILE 558          1HG2      ILE 558   2.410   4.681  -8.503
  286   2HG2  ILE 558          2HG2      ILE 558   1.656   5.574  -7.182
  287   3HG2  ILE 558          3HG2      ILE 558   1.322   3.855  -7.388
  288   1HD1  ILE 558          1HD1      ILE 558   3.433   6.806  -7.843
  289   2HD1  ILE 558          2HD1      ILE 558   4.962   7.270  -7.095
  290   3HD1  ILE 558          3HD1      ILE 558   3.538   6.992  -6.093
  291    H    ASP 559           H        ASP 559   0.328   4.515  -5.150
  292    HA   ASP 559           HA       ASP 559  -0.103   1.903  -3.927
  293   1HB   ASP 559          2HB       ASP 559  -2.157   3.995  -4.652
  294   2HB   ASP 559          1HB       ASP 559  -2.388   2.605  -3.596
  295    HA   PRO 560           HA       PRO 560  -0.499   0.211  -8.108
  296   1HB   PRO 560          2HB       PRO 560  -1.756  -2.109  -7.086
  297   2HB   PRO 560          1HB       PRO 560  -0.060  -1.929  -7.534
  298   1HG   PRO 560          2HG       PRO 560  -1.323  -1.842  -4.861
  299   2HG   PRO 560          1HG       PRO 560   0.321  -2.299  -5.324
  300   1HD   PRO 560          2HD       PRO 560  -0.252   0.030  -4.088
  301   2HD   PRO 560          1HD       PRO 560   1.088  -0.133  -5.241
  302    H    ARG 561           H        ARG 561  -2.994   0.231  -5.628
  303    HA   ARG 561           HA       ARG 561  -5.246  -0.364  -7.093
  304   1HB   ARG 561          2HB       ARG 561  -6.333   1.424  -5.493
  305   2HB   ARG 561          1HB       ARG 561  -5.725  -0.098  -4.860
  306   1HG   ARG 561          2HG       ARG 561  -3.978   0.887  -3.785
  307   2HG   ARG 561          1HG       ARG 561  -3.859   2.205  -4.952
  308   1HD   ARG 561          2HD       ARG 561  -4.888   3.473  -3.444
  309   2HD   ARG 561          1HD       ARG 561  -6.350   2.556  -3.800
  310    HE   ARG 561           HE       ARG 561  -5.200   1.021  -1.947
  311   1HH1  ARG 561          1HH1      ARG 561  -5.759   4.462  -2.041
  312   2HH1  ARG 561          2HH1      ARG 561  -5.894   4.613  -0.322
  313   1HH2  ARG 561          1HH2      ARG 561  -5.392   1.212   0.309
  314   2HH2  ARG 561          2HH2      ARG 561  -5.690   2.766   1.014
  315    H    ASN 562           H        ASN 562  -3.555   2.730  -6.841
  316    HA   ASN 562           HA       ASN 562  -5.236   3.747  -9.038
  317   1HB   ASN 562          2HB       ASN 562  -3.704   5.534  -7.168
  318   2HB   ASN 562          1HB       ASN 562  -5.097   5.923  -8.173
  319   1HD2  ASN 562          1HD2      ASN 562  -4.148   5.486  -5.105
  320   2HD2  ASN 562          2HD2      ASN 562  -5.639   4.988  -4.389
  321    H    GLY 563           H        GLY 563  -2.039   4.441  -7.604
  322   1HA   GLY 563          2HA       GLY 563  -0.051   3.848  -8.949
  323   2HA   GLY 563          1HA       GLY 563  -0.943   4.426 -10.350
  324    H    ARG 564           H        ARG 564  -0.912   6.014  -7.215
  325    HA   ARG 564           HA       ARG 564   0.760   8.151  -8.353
  326   1HB   ARG 564          2HB       ARG 564  -1.781   8.492  -6.750
  327   2HB   ARG 564          1HB       ARG 564  -0.687   9.803  -7.177
  328   1HG   ARG 564          2HG       ARG 564  -1.333   9.819  -9.363
  329   2HG   ARG 564          1HG       ARG 564  -1.748   8.103  -9.368
  330   1HD   ARG 564          2HD       ARG 564  -3.861   8.894  -9.347
  331   2HD   ARG 564          1HD       ARG 564  -3.569   9.017  -7.613
  332    HE   ARG 564           HE       ARG 564  -2.711  11.398  -8.734
  333   1HH1  ARG 564          1HH1      ARG 564  -5.691   9.621  -8.437
  334   2HH1  ARG 564          2HH1      ARG 564  -6.689  11.037  -8.449
  335   1HH2  ARG 564          1HH2      ARG 564  -4.015  13.270  -8.753
  336   2HH2  ARG 564          2HH2      ARG 564  -5.735  13.112  -8.630
  337    H    ALA 565           H        ALA 565   1.419   9.729  -6.511
  338    HA   ALA 565           HA       ALA 565   2.979   8.267  -4.672
  339   1HB   ALA 565          1HB       ALA 565   2.412  11.153  -5.128
  340   2HB   ALA 565          2HB       ALA 565   3.943  10.279  -5.182
  341   3HB   ALA 565          3HB       ALA 565   3.203  10.669  -3.629
  342    H    SER 566           H        SER 566   1.089   6.994  -3.811
  343    HA   SER 566           HA       SER 566  -0.504   6.528  -2.232
  344   1HB   SER 566          2HB       SER 566   0.329   6.706  -0.070
  345   2HB   SER 566          1HB       SER 566   1.799   6.868  -1.031
  346    HG   SER 566           HG       SER 566   1.682   8.485   0.559
  347   1H    THR 227          1HT       THR 227  16.813   7.215   0.574
  348   2H    THR 227          2HT       THR 227  17.110   7.865  -0.958
  349   3H    THR 227          3HT       THR 227  17.177   6.192  -0.723
  350    HA   THR 227           HA       THR 227  14.991   7.750  -1.469
  351    HB   THR 227           HB       THR 227  13.845   5.553  -1.595
  352    HG1  THR 227           1HG      THR 227  15.195   3.698  -1.034
  353   1HG2  THR 227          1HG2      THR 227  15.249   4.605  -3.291
  354   2HG2  THR 227          2HG2      THR 227  16.678   5.391  -2.620
  355   3HG2  THR 227          3HG2      THR 227  15.412   6.359  -3.373
  356    H    GLY 228           H        GLY 228  15.271   5.543   1.329
  357   1HA   GLY 228          2HA       GLY 228  14.448   5.940   3.495
  358   2HA   GLY 228          1HA       GLY 228  13.561   7.326   2.880
  359    H    LEU 229           H        LEU 229  13.345   4.331   1.178
  360    HA   LEU 229           HA       LEU 229  10.564   4.056   2.086
  361   1HB   LEU 229          2HB       LEU 229  10.773   4.407  -0.291
  362   2HB   LEU 229          1HB       LEU 229  11.947   3.114  -0.422
  363    HG   LEU 229           HG       LEU 229   9.662   1.938   0.707
  364   1HD1  LEU 229          1HD1      LEU 229   7.876   2.487  -0.777
  365   2HD1  LEU 229          2HD1      LEU 229   8.911   3.571  -1.708
  366   3HD1  LEU 229          3HD1      LEU 229   8.460   3.987  -0.055
  367   1HD2  LEU 229          1HD2      LEU 229  10.960   1.889  -1.999
  368   2HD2  LEU 229          2HD2      LEU 229   9.549   0.900  -1.628
  369   3HD2  LEU 229          3HD2      LEU 229  11.040   0.687  -0.711
  370    HA   PRO 230           HA       PRO 230  12.356   0.511   4.340
  371   1HB   PRO 230          2HB       PRO 230   9.515   0.348   5.198
  372   2HB   PRO 230          1HB       PRO 230  10.988   0.334   6.173
  373   1HG   PRO 230          2HG       PRO 230   9.426   2.494   6.091
  374   2HG   PRO 230          1HG       PRO 230  11.193   2.642   6.140
  375   1HD   PRO 230          2HD       PRO 230   9.325   2.965   3.827
  376   2HD   PRO 230          1HD       PRO 230  10.792   3.881   4.231
  377    H    SER 231           H        SER 231  12.662  -0.757   2.486
  378    HA   SER 231           HA       SER 231  10.642  -1.846   0.890
  379   1HB   SER 231          2HB       SER 231  13.297  -3.173   1.444
  380   2HB   SER 231          1HB       SER 231  12.318  -3.282  -0.019
  381    HG   SER 231           HG       SER 231  13.000  -1.353  -0.643
  382    H    TYR 232           H        TYR 232   9.635  -3.830   0.835
  383    HA   TYR 232           HA       TYR 232   8.699  -4.894   3.209
  384   1HB   TYR 232          2HB       TYR 232   7.440  -5.309   1.257
  385   2HB   TYR 232          1HB       TYR 232   8.820  -5.987   0.406
  386    HD1  TYR 232           1HD      TYR 232   9.394  -8.289   0.624
  387    HD2  TYR 232           2HD      TYR 232   6.271  -6.636   2.989
  388    HE1  TYR 232           1HE      TYR 232   8.680 -10.559   1.256
  389    HE2  TYR 232           2HE      TYR 232   5.547  -8.898   3.628
  390    HH   TYR 232           HH       TYR 232   5.757 -11.268   2.560
  391    H    ASP 233           H        ASP 233  10.407  -5.290   4.624
  392    HA   ASP 233           HA       ASP 233  11.351  -7.886   4.801
  393   1HB   ASP 233          2HB       ASP 233  12.751  -6.631   2.808
  394   2HB   ASP 233          1HB       ASP 233  13.791  -6.359   4.202
  395    H    GLU 234           H        GLU 234  12.042  -4.499   5.447
  396    HA   GLU 234           HA       GLU 234  12.861  -5.241   8.179
  397   1HB   GLU 234          2HB       GLU 234  13.832  -2.768   8.027
  398   2HB   GLU 234          1HB       GLU 234  14.745  -4.164   7.471
  399   1HG   GLU 234          2HG       GLU 234  14.307  -3.694   5.220
  400   2HG   GLU 234          1HG       GLU 234  12.997  -2.584   5.618
  401    H    ALA 235           H        ALA 235  10.609  -3.487   6.261
  402    HA   ALA 235           HA       ALA 235   9.764  -1.621   8.240
  403   1HB   ALA 235          1HB       ALA 235   8.196  -0.919   6.713
  404   2HB   ALA 235          2HB       ALA 235   7.947  -2.538   6.060
  405   3HB   ALA 235          3HB       ALA 235   9.406  -1.637   5.648
  406    H    LEU 236           H        LEU 236   8.897  -4.911   7.438
  407    HA   LEU 236           HA       LEU 236   6.442  -5.056   8.798
  408   1HB   LEU 236          2HB       LEU 236   8.496  -7.078   7.984
  409   2HB   LEU 236          1HB       LEU 236   7.135  -7.562   8.977
  410    HG   LEU 236           HG       LEU 236   5.741  -6.372   7.076
  411   1HD1  LEU 236          1HD1      LEU 236   8.240  -7.217   5.618
  412   2HD1  LEU 236          2HD1      LEU 236   7.719  -5.551   5.875
  413   3HD1  LEU 236          3HD1      LEU 236   6.743  -6.638   4.886
  414   1HD2  LEU 236          1HD2      LEU 236   5.132  -8.453   6.451
  415   2HD2  LEU 236          2HD2      LEU 236   6.147  -8.924   7.813
  416   3HD2  LEU 236          3HD2      LEU 236   6.793  -8.975   6.172
  417    H    HIS 237           H        HIS 237   6.049  -4.778  10.883
  418    HA   HIS 237           HA       HIS 237   7.649  -6.077  12.889
  419   1HB   HIS 237          2HB       HIS 237   7.808  -3.127  12.453
  420   2HB   HIS 237          1HB       HIS 237   7.831  -3.733  14.105
  421    HD1  HIS 237           1HD      HIS 237   9.790  -5.579  14.570
  422    HD2  HIS 237           2HD      HIS 237  10.228  -3.153  11.224
  423    HE1  HIS 237           1HE      HIS 237  12.219  -5.735  13.940
  424    HE2  HIS 237           2HE      HIS 237  12.477  -4.195  11.964
  Start of MODEL   29
    1   1H    GLY 521          1HT       GLY 521 -21.640   2.323   5.367
    2   2H    GLY 521          2HT       GLY 521 -20.385   3.409   5.693
    3   3H    GLY 521          3HT       GLY 521 -20.659   2.098   6.727
    4   1HA   GLY 521          2HA       GLY 521 -19.014   2.223   4.453
    5   2HA   GLY 521          1HA       GLY 521 -20.304   1.068   4.158
    6    HA   PRO 522           HA       PRO 522 -18.673  -1.365   7.708
    7   1HB   PRO 522          2HB       PRO 522 -19.696  -3.738   6.899
    8   2HB   PRO 522          1HB       PRO 522 -20.640  -2.554   7.810
    9   1HG   PRO 522          2HG       PRO 522 -20.617  -3.097   4.867
   10   2HG   PRO 522          1HG       PRO 522 -21.997  -2.800   5.939
   11   1HD   PRO 522          2HD       PRO 522 -20.941  -0.884   4.327
   12   2HD   PRO 522          1HD       PRO 522 -21.705  -0.518   5.888
   13    H    LEU 523           H        LEU 523 -16.586  -1.865   7.553
   14    HA   LEU 523           HA       LEU 523 -14.642  -2.839   6.870
   15   1HB   LEU 523          2HB       LEU 523 -16.366  -4.749   6.354
   16   2HB   LEU 523          1HB       LEU 523 -16.054  -4.313   4.685
   17    HG   LEU 523           HG       LEU 523 -13.603  -4.698   5.141
   18   1HD1  LEU 523          1HD1      LEU 523 -13.932  -4.518   7.654
   19   2HD1  LEU 523          2HD1      LEU 523 -12.900  -5.825   7.076
   20   3HD1  LEU 523          3HD1      LEU 523 -14.554  -6.166   7.582
   21   1HD2  LEU 523          1HD2      LEU 523 -15.694  -6.825   5.187
   22   2HD2  LEU 523          2HD2      LEU 523 -13.995  -7.274   5.336
   23   3HD2  LEU 523          3HD2      LEU 523 -14.555  -6.394   3.913
   24    H    GLY 524           H        GLY 524 -14.269  -0.592   6.123
   25   1HA   GLY 524          2HA       GLY 524 -12.826   0.186   4.287
   26   2HA   GLY 524          1HA       GLY 524 -13.990  -0.529   3.181
   27    H    SER 525           H        SER 525 -14.246   1.457   2.097
   28    HA   SER 525           HA       SER 525 -15.297   3.417   1.622
   29   1HB   SER 525          2HB       SER 525 -16.918   2.605   4.041
   30   2HB   SER 525          1HB       SER 525 -17.302   4.006   3.042
   31    HG   SER 525           HG       SER 525 -17.337   2.462   1.243
   32    H    GLY 526           H        GLY 526 -15.321   5.647   2.178
   33   1HA   GLY 526          2HA       GLY 526 -15.024   7.349   3.925
   34   2HA   GLY 526          1HA       GLY 526 -13.836   6.278   4.654
   35    H    GLU 527           H        GLU 527 -11.766   6.667   4.221
   36    HA   GLU 527           HA       GLU 527 -11.081   8.054   1.724
   37   1HB   GLU 527          2HB       GLU 527 -10.331   8.846   4.524
   38   2HB   GLU 527          1HB       GLU 527  -9.314   9.286   3.159
   39   1HG   GLU 527          2HG       GLU 527 -12.237   9.958   3.295
   40   2HG   GLU 527          1HG       GLU 527 -10.977  11.016   3.924
   41    H    GLU 528           H        GLU 528 -10.887   5.275   2.395
   42    HA   GLU 528           HA       GLU 528  -8.003   4.944   2.036
   43   1HB   GLU 528          2HB       GLU 528  -8.807   4.535   4.476
   44   2HB   GLU 528          1HB       GLU 528  -9.484   3.047   3.831
   45   1HG   GLU 528          2HG       GLU 528  -7.381   2.191   3.280
   46   2HG   GLU 528          1HG       GLU 528  -6.607   3.770   3.414
   47    H    GLU 529           H        GLU 529  -8.043   4.230  -0.021
   48    HA   GLU 529           HA       GLU 529 -10.074   2.522  -1.055
   49   1HB   GLU 529          2HB       GLU 529  -7.995   4.094  -2.112
   50   2HB   GLU 529          1HB       GLU 529  -7.660   2.444  -2.619
   51   1HG   GLU 529          2HG       GLU 529  -9.011   3.749  -4.232
   52   2HG   GLU 529          1HG       GLU 529  -9.780   2.260  -3.686
   53    HA   PRO 530           HA       PRO 530  -8.700  -1.481   0.212
   54   1HB   PRO 530          2HB       PRO 530  -9.442  -2.344  -2.533
   55   2HB   PRO 530          1HB       PRO 530  -9.984  -2.968  -0.974
   56   1HG   PRO 530          2HG       PRO 530 -11.591  -1.455  -2.465
   57   2HG   PRO 530          1HG       PRO 530 -11.559  -1.283  -0.699
   58   1HD   PRO 530          2HD       PRO 530 -10.330   0.457  -2.798
   59   2HD   PRO 530          1HD       PRO 530 -11.118   0.911  -1.273
   60    H    LEU 531           H        LEU 531  -6.983  -2.883  -0.032
   61    HA   LEU 531           HA       LEU 531  -4.913  -2.019  -1.915
   62   1HB   LEU 531          2HB       LEU 531  -4.347  -4.126   0.096
   63   2HB   LEU 531          1HB       LEU 531  -3.350  -2.781  -0.428
   64    HG   LEU 531           HG       LEU 531  -5.735  -2.497   1.404
   65   1HD1  LEU 531          1HD1      LEU 531  -3.641  -3.832   2.206
   66   2HD1  LEU 531          2HD1      LEU 531  -4.368  -2.604   3.241
   67   3HD1  LEU 531          3HD1      LEU 531  -2.913  -2.230   2.318
   68   1HD2  LEU 531          1HD2      LEU 531  -4.570  -0.304   1.893
   69   2HD2  LEU 531          2HD2      LEU 531  -5.339  -0.444   0.312
   70   3HD2  LEU 531          3HD2      LEU 531  -3.589  -0.614   0.460
   71    HA   PRO 532           HA       PRO 532  -5.710  -5.288  -4.757
   72   1HB   PRO 532          2HB       PRO 532  -2.736  -5.452  -4.896
   73   2HB   PRO 532          1HB       PRO 532  -3.921  -5.354  -6.202
   74   1HG   PRO 532          2HG       PRO 532  -2.522  -3.215  -5.508
   75   2HG   PRO 532          1HG       PRO 532  -4.239  -3.071  -5.920
   76   1HD   PRO 532          2HD       PRO 532  -2.922  -2.993  -3.242
   77   2HD   PRO 532          1HD       PRO 532  -4.342  -2.104  -3.829
   78    HA   PRO 533           HA       PRO 533  -5.099  -9.292  -3.078
   79   1HB   PRO 533          2HB       PRO 533  -3.676 -10.350  -5.408
   80   2HB   PRO 533          1HB       PRO 533  -5.277 -10.749  -4.786
   81   1HG   PRO 533          2HG       PRO 533  -4.961  -9.369  -7.065
   82   2HG   PRO 533          1HG       PRO 533  -6.301  -9.029  -5.953
   83   1HD   PRO 533          2HD       PRO 533  -3.698  -7.575  -6.283
   84   2HD   PRO 533          1HD       PRO 533  -5.340  -6.915  -6.111
   85    H    ARG 534           H        ARG 534  -2.297  -7.593  -3.691
   86    HA   ARG 534           HA       ARG 534  -0.813  -9.431  -1.997
   87   1HB   ARG 534          2HB       ARG 534   0.060  -8.741  -4.799
   88   2HB   ARG 534          1HB       ARG 534   1.160  -9.369  -3.579
   89   1HG   ARG 534          2HG       ARG 534  -1.340 -10.792  -4.455
   90   2HG   ARG 534          1HG       ARG 534   0.253 -11.071  -5.163
   91   1HD   ARG 534          2HD       ARG 534   0.986 -12.230  -3.374
   92   2HD   ARG 534          1HD       ARG 534   0.152 -11.182  -2.228
   93    HE   ARG 534           HE       ARG 534  -1.834 -12.621  -3.445
   94   1HH1  ARG 534          1HH1      ARG 534   1.046 -13.378  -1.643
   95   2HH1  ARG 534          2HH1      ARG 534   0.412 -14.856  -0.998
   96   1HH2  ARG 534          1HH2      ARG 534  -2.683 -14.564  -2.599
   97   2HH2  ARG 534          2HH2      ARG 534  -1.708 -15.531  -1.542
   98    H    TRP 535           H        TRP 535  -1.810  -6.833  -1.525
   99    HA   TRP 535           HA       TRP 535   0.753  -5.501  -1.046
  100   1HB   TRP 535          2HB       TRP 535  -1.665  -4.119  -2.205
  101   2HB   TRP 535          1HB       TRP 535  -0.187  -3.314  -1.686
  102    HD1  TRP 535           HD       TRP 535  -1.124  -6.147  -4.171
  103    HE1  TRP 535           1HE      TRP 535   0.358  -5.898  -6.254
  104    HE3  TRP 535           3HE      TRP 535   1.673  -2.162  -2.666
  105    HZ2  TRP 535           2HZ      TRP 535   2.453  -4.207  -7.140
  106    HZ3  TRP 535           3HZ      TRP 535   3.399  -1.283  -4.185
  107    HH2  TRP 535           HH       TRP 535   3.781  -2.289  -6.376
  108    H    SER 536           H        SER 536   0.517  -3.596   0.437
  109    HA   SER 536           HA       SER 536  -1.663  -3.828   2.355
  110   1HB   SER 536          2HB       SER 536   0.759  -5.133   2.803
  111   2HB   SER 536          1HB       SER 536   0.877  -3.659   3.755
  112    HG   SER 536           HG       SER 536  -0.105  -5.324   4.948
  113    H    MET 537           H        MET 537  -0.300  -2.253   4.351
  114    HA   MET 537           HA       MET 537   0.468   0.200   3.001
  115   1HB   MET 537          2HB       MET 537  -2.022  -0.092   4.659
  116   2HB   MET 537          1HB       MET 537  -1.238   1.466   4.428
  117   1HG   MET 537          2HG       MET 537  -1.416   0.800   1.892
  118   2HG   MET 537          1HG       MET 537  -2.716  -0.231   2.488
  119   1HE   MET 537          1HE       MET 537  -2.612   4.367   2.570
  120   2HE   MET 537          2HE       MET 537  -1.390   3.308   1.871
  121   3HE   MET 537          3HE       MET 537  -1.542   3.442   3.624
  122    H    GLN 538           H        GLN 538   2.025   1.205   4.097
  123    HA   GLN 538           HA       GLN 538   2.142   1.081   6.987
  124   1HB   GLN 538          2HB       GLN 538   3.296  -0.970   6.402
  125   2HB   GLN 538          1HB       GLN 538   4.318  -0.109   5.258
  126   1HG   GLN 538          2HG       GLN 538   5.780  -0.126   6.953
  127   2HG   GLN 538          1HG       GLN 538   4.858   1.271   7.504
  128   1HE2  GLN 538          1HE2      GLN 538   5.492  -2.115   7.969
  129   2HE2  GLN 538          2HE2      GLN 538   4.750  -2.249   9.523
  130    H    VAL 539           H        VAL 539   3.034   2.873   7.835
  131    HA   VAL 539           HA       VAL 539   3.847   4.978   6.029
  132    HB   VAL 539           HB       VAL 539   4.015   5.216   9.013
  133   1HG1  VAL 539          1HG1      VAL 539   4.278   7.370   8.546
  134   2HG1  VAL 539          2HG1      VAL 539   2.774   7.393   7.626
  135   3HG1  VAL 539          3HG1      VAL 539   4.287   6.963   6.830
  136   1HG2  VAL 539          1HG2      VAL 539   1.589   4.709   7.430
  137   2HG2  VAL 539          2HG2      VAL 539   1.500   6.095   8.517
  138   3HG2  VAL 539          3HG2      VAL 539   1.884   4.496   9.155
  139    H    ALA 540           H        ALA 540   5.862   5.676   5.638
  140    HA   ALA 540           HA       ALA 540   8.058   4.205   6.899
  141   1HB   ALA 540          1HB       ALA 540   8.442   4.003   4.665
  142   2HB   ALA 540          2HB       ALA 540   9.309   5.511   4.954
  143   3HB   ALA 540          3HB       ALA 540   7.679   5.546   4.281
  144    HA   PRO 541           HA       PRO 541   9.554   7.593   9.284
  145   1HB   PRO 541          2HB       PRO 541  12.279   7.042   8.280
  146   2HB   PRO 541          1HB       PRO 541  11.662   6.996   9.934
  147   1HG   PRO 541          2HG       PRO 541  12.256   4.748   8.606
  148   2HG   PRO 541          1HG       PRO 541  10.882   4.830   9.725
  149   1HD   PRO 541          2HD       PRO 541  10.899   4.923   6.733
  150   2HD   PRO 541          1HD       PRO 541   9.769   4.102   7.830
  151    H    ASN 542           H        ASN 542  10.460   7.310   5.933
  152    HA   ASN 542           HA       ASN 542  11.767   9.675   5.432
  153   1HB   ASN 542          2HB       ASN 542  11.451   7.975   3.721
  154   2HB   ASN 542          1HB       ASN 542   9.714   8.268   3.713
  155   1HD2  ASN 542          1HD2      ASN 542  10.133   8.559   1.407
  156   2HD2  ASN 542          2HD2      ASN 542  10.609  10.119   0.843
  157    H    GLY 543           H        GLY 543   8.338   9.129   5.972
  158   1HA   GLY 543          2HA       GLY 543   7.273  11.128   7.069
  159   2HA   GLY 543          1HA       GLY 543   7.905  12.040   5.708
  160    H    ARG 544           H        ARG 544   7.132   9.281   4.254
  161    HA   ARG 544           HA       ARG 544   4.285   9.945   3.957
  162   1HB   ARG 544          2HB       ARG 544   4.400   9.827   1.588
  163   2HB   ARG 544          1HB       ARG 544   5.705  10.889   2.099
  164   1HG   ARG 544          2HG       ARG 544   6.773   8.292   2.023
  165   2HG   ARG 544          1HG       ARG 544   5.822   8.491   0.552
  166   1HD   ARG 544          2HD       ARG 544   8.212  10.018   1.493
  167   2HD   ARG 544          1HD       ARG 544   7.901   9.283  -0.078
  168    HE   ARG 544           HE       ARG 544   7.206  11.926   0.750
  169   1HH1  ARG 544          1HH1      ARG 544   6.264   9.285  -1.317
  170   2HH1  ARG 544          2HH1      ARG 544   5.447  10.301  -2.459
  171   1HH2  ARG 544          1HH2      ARG 544   6.137  13.271  -0.749
  172   2HH2  ARG 544          2HH2      ARG 544   5.377  12.567  -2.136
  173    H    THR 545           H        THR 545   2.945   8.242   3.196
  174    HA   THR 545           HA       THR 545   3.782   5.662   4.183
  175    HB   THR 545           HB       THR 545   1.377   5.096   3.197
  176    HG1  THR 545           1HG      THR 545   0.177   6.819   2.794
  177   1HG2  THR 545          1HG2      THR 545   1.750   4.840   5.498
  178   2HG2  THR 545          2HG2      THR 545   0.435   6.010   5.404
  179   3HG2  THR 545          3HG2      THR 545   2.080   6.557   5.728
  180    H    PHE 546           H        PHE 546   3.927   3.766   2.991
  181    HA   PHE 546           HA       PHE 546   4.098   4.152   0.079
  182   1HB   PHE 546          2HB       PHE 546   5.814   2.284   0.177
  183   2HB   PHE 546          1HB       PHE 546   6.314   3.837   0.834
  184    HD1  PHE 546           1HD      PHE 546   6.106   4.147   3.382
  185    HD2  PHE 546           2HD      PHE 546   6.012   0.359   1.437
  186    HE1  PHE 546           1HE      PHE 546   6.713   3.042   5.498
  187    HE2  PHE 546           2HE      PHE 546   6.615  -0.746   3.551
  188    HZ   PHE 546           HZ       PHE 546   6.967   0.596   5.584
  189    H    PHE 547           H        PHE 547   4.290   1.725  -0.888
  190    HA   PHE 547           HA       PHE 547   2.026   0.202   0.210
  191   1HB   PHE 547          2HB       PHE 547   2.286   1.444  -2.383
  192   2HB   PHE 547          1HB       PHE 547   2.076  -0.291  -2.547
  193    HD1  PHE 547           1HD      PHE 547   0.582   2.789  -1.180
  194    HD2  PHE 547           2HD      PHE 547  -0.009  -1.320  -2.109
  195    HE1  PHE 547           1HE      PHE 547  -1.835   3.060  -0.813
  196    HE2  PHE 547           2HE      PHE 547  -2.428  -1.059  -1.746
  197    HZ   PHE 547           HZ       PHE 547  -3.345   1.133  -1.096
  198    H    ILE 548           H        ILE 548   2.486  -1.771   0.695
  199    HA   ILE 548           HA       ILE 548   5.026  -2.891  -0.101
  200    HB   ILE 548           HB       ILE 548   2.866  -3.886   1.753
  201   1HG1  ILE 548          2HG1      ILE 548   5.402  -3.468   2.988
  202   2HG1  ILE 548          1HG1      ILE 548   5.020  -2.040   2.027
  203   1HG2  ILE 548          1HG2      ILE 548   4.627  -5.543   2.482
  204   2HG2  ILE 548          2HG2      ILE 548   5.506  -5.130   1.009
  205   3HG2  ILE 548          3HG2      ILE 548   3.898  -5.848   0.905
  206   1HD1  ILE 548          1HD1      ILE 548   2.830  -3.075   3.695
  207   2HD1  ILE 548          2HD1      ILE 548   3.349  -1.416   3.391
  208   3HD1  ILE 548          3HD1      ILE 548   4.216  -2.411   4.561
  209    H    ASP 549           H        ASP 549   5.291  -4.845  -1.142
  210    HA   ASP 549           HA       ASP 549   2.980  -5.848  -2.660
  211   1HB   ASP 549          2HB       ASP 549   4.357  -4.519  -4.155
  212   2HB   ASP 549          1HB       ASP 549   5.794  -5.402  -3.669
  213    H    HIS 550           H        HIS 550   2.574  -7.880  -2.116
  214    HA   HIS 550           HA       HIS 550   4.575  -9.520  -0.844
  215   1HB   HIS 550          2HB       HIS 550   1.738 -10.198  -1.646
  216   2HB   HIS 550          1HB       HIS 550   2.771 -11.158  -0.592
  217    HD2  HIS 550           2HD      HIS 550   2.317  -7.282  -0.207
  218    HE1  HIS 550           1HE      HIS 550   0.740  -9.255   3.186
  219    HE2  HIS 550           2HE      HIS 550   1.445  -7.021   2.220
  220    H    ALA 551           H        ALA 551   3.104  -9.240  -3.993
  221    HA   ALA 551           HA       ALA 551   3.570 -11.694  -5.130
  222   1HB   ALA 551          1HB       ALA 551   4.325  -9.453  -6.864
  223   2HB   ALA 551          2HB       ALA 551   2.761  -9.277  -6.068
  224   3HB   ALA 551          3HB       ALA 551   3.084 -10.688  -7.076
  225    H    SER 552           H        SER 552   5.888  -9.169  -4.397
  226    HA   SER 552           HA       SER 552   8.047 -11.040  -5.067
  227   1HB   SER 552          2HB       SER 552   7.472  -8.753  -6.555
  228   2HB   SER 552          1HB       SER 552   8.830  -8.284  -5.532
  229    HG   SER 552           HG       SER 552   8.691 -10.473  -7.330
  230    H    ARG 553           H        ARG 553   6.611  -9.528  -2.625
  231    HA   ARG 553           HA       ARG 553   7.223  -8.893  -0.537
  232   1HB   ARG 553          2HB       ARG 553   9.712 -10.384  -1.357
  233   2HB   ARG 553          1HB       ARG 553   9.470  -9.743   0.261
  234   1HG   ARG 553          2HG       ARG 553   7.570 -11.670  -1.044
  235   2HG   ARG 553          1HG       ARG 553   8.932 -12.174  -0.041
  236   1HD   ARG 553          2HD       ARG 553   7.884 -10.466   1.661
  237   2HD   ARG 553          1HD       ARG 553   6.420 -10.763   0.723
  238    HE   ARG 553           HE       ARG 553   6.247 -12.770   1.779
  239   1HH1  ARG 553          1HH1      ARG 553   9.582 -11.768   1.874
  240   2HH1  ARG 553          2HH1      ARG 553  10.096 -13.124   2.822
  241   1HH2  ARG 553          1HH2      ARG 553   6.914 -14.559   3.025
  242   2HH2  ARG 553          2HH2      ARG 553   8.579 -14.711   3.477
  243    H    ARG 554           H        ARG 554   7.229  -6.726  -1.913
  244    HA   ARG 554           HA       ARG 554   9.662  -5.329  -1.097
  245   1HB   ARG 554          2HB       ARG 554   8.529  -4.876  -3.847
  246   2HB   ARG 554          1HB       ARG 554  10.063  -4.320  -3.194
  247   1HG   ARG 554          2HG       ARG 554  10.922  -6.575  -3.185
  248   2HG   ARG 554          1HG       ARG 554   9.363  -7.198  -3.726
  249   1HD   ARG 554          2HD       ARG 554  11.249  -5.411  -5.250
  250   2HD   ARG 554          1HD       ARG 554  10.836  -7.084  -5.610
  251    HE   ARG 554           HE       ARG 554   8.834  -6.385  -6.526
  252   1HH1  ARG 554          1HH1      ARG 554  10.444  -3.688  -4.997
  253   2HH1  ARG 554          2HH1      ARG 554   9.416  -2.503  -5.728
  254   1HH2  ARG 554          1HH2      ARG 554   7.486  -4.824  -7.485
  255   2HH2  ARG 554          2HH2      ARG 554   7.737  -3.146  -7.137
  256    H    THR 555           H        THR 555   9.128  -2.871  -2.207
  257    HA   THR 555           HA       THR 555   6.421  -2.118  -1.432
  258    HB   THR 555           HB       THR 555   7.239  -0.290   0.037
  259    HG1  THR 555           1HG      THR 555   9.472  -0.636   0.826
  260   1HG2  THR 555          1HG2      THR 555   8.411  -2.632   1.366
  261   2HG2  THR 555          2HG2      THR 555   6.803  -2.897   0.695
  262   3HG2  THR 555          3HG2      THR 555   7.070  -1.601   1.861
  263    H    THR 556           H        THR 556   6.396   0.486  -1.577
  264    HA   THR 556           HA       THR 556   8.082   1.748  -3.432
  265    HB   THR 556           HB       THR 556   7.347   0.604  -5.275
  266    HG1  THR 556           1HG      THR 556   5.548   1.904  -6.217
  267   1HG2  THR 556          1HG2      THR 556   4.655   0.388  -3.936
  268   2HG2  THR 556          2HG2      THR 556   5.806  -0.908  -4.259
  269   3HG2  THR 556          3HG2      THR 556   4.961  -0.125  -5.595
  270    H    TRP 557           H        TRP 557   7.220   3.848  -4.174
  271    HA   TRP 557           HA       TRP 557   5.623   5.046  -2.066
  272   1HB   TRP 557          2HB       TRP 557   7.163   6.218  -4.380
  273   2HB   TRP 557          1HB       TRP 557   6.227   7.182  -3.246
  274    HD1  TRP 557           HD       TRP 557   9.628   6.550  -3.812
  275    HE1  TRP 557           1HE      TRP 557  11.038   6.551  -1.656
  276    HE3  TRP 557           3HE      TRP 557   5.871   6.015  -0.410
  277    HZ2  TRP 557           2HZ      TRP 557  10.602   6.349   1.128
  278    HZ3  TRP 557           3HZ      TRP 557   6.445   5.927   1.986
  279    HH2  TRP 557           HH       TRP 557   8.763   6.089   2.737
  280    H    ILE 558           H        ILE 558   4.555   3.359  -4.463
  281    HA   ILE 558           HA       ILE 558   2.473   5.309  -5.186
  282    HB   ILE 558           HB       ILE 558   3.478   3.150  -7.027
  283   1HG1  ILE 558          2HG1      ILE 558   5.157   5.004  -6.383
  284   2HG1  ILE 558          1HG1      ILE 558   4.883   4.705  -8.099
  285   1HG2  ILE 558          1HG2      ILE 558   1.341   5.158  -7.121
  286   2HG2  ILE 558          2HG2      ILE 558   1.505   3.630  -7.987
  287   3HG2  ILE 558          3HG2      ILE 558   2.339   5.070  -8.573
  288   1HD1  ILE 558          1HD1      ILE 558   3.377   6.834  -6.628
  289   2HD1  ILE 558          2HD1      ILE 558   3.666   6.673  -8.360
  290   3HD1  ILE 558          3HD1      ILE 558   4.988   7.124  -7.284
  291    H    ASP 559           H        ASP 559   0.388   4.603  -5.274
  292    HA   ASP 559           HA       ASP 559  -0.121   2.018  -4.013
  293   1HB   ASP 559          2HB       ASP 559  -2.124   4.211  -4.530
  294   2HB   ASP 559          1HB       ASP 559  -2.254   2.878  -3.388
  295    HA   PRO 560           HA       PRO 560  -1.070   0.467  -8.165
  296   1HB   PRO 560          2HB       PRO 560  -2.316  -1.819  -7.081
  297   2HB   PRO 560          1HB       PRO 560  -0.661  -1.703  -7.676
  298   1HG   PRO 560          2HG       PRO 560  -1.677  -1.621  -4.894
  299   2HG   PRO 560          1HG       PRO 560  -0.113  -2.172  -5.513
  300   1HD   PRO 560          2HD       PRO 560  -0.417   0.161  -4.192
  301   2HD   PRO 560          1HD       PRO 560   0.795  -0.057  -5.469
  302    H    ARG 561           H        ARG 561  -3.254   0.564  -5.408
  303    HA   ARG 561           HA       ARG 561  -5.689   0.146  -6.668
  304   1HB   ARG 561          2HB       ARG 561  -6.517   1.840  -4.829
  305   2HB   ARG 561          1HB       ARG 561  -5.915   0.251  -4.378
  306   1HG   ARG 561          2HG       ARG 561  -4.197   1.104  -3.244
  307   2HG   ARG 561          1HG       ARG 561  -3.823   2.271  -4.512
  308   1HD   ARG 561          2HD       ARG 561  -4.548   3.808  -3.059
  309   2HD   ARG 561          1HD       ARG 561  -6.160   3.251  -3.498
  310    HE   ARG 561           HE       ARG 561  -5.521   1.578  -1.507
  311   1HH1  ARG 561          1HH1      ARG 561  -5.313   5.048  -1.778
  312   2HH1  ARG 561          2HH1      ARG 561  -5.535   5.320  -0.082
  313   1HH2  ARG 561          1HH2      ARG 561  -5.814   1.930   0.725
  314   2HH2  ARG 561          2HH2      ARG 561  -5.819   3.550   1.341
  315    H    ASN 562           H        ASN 562  -3.617   2.946  -6.688
  316    HA   ASN 562           HA       ASN 562  -5.502   4.264  -8.522
  317   1HB   ASN 562          2HB       ASN 562  -3.761   5.883  -6.689
  318   2HB   ASN 562          1HB       ASN 562  -5.238   6.358  -7.521
  319   1HD2  ASN 562          1HD2      ASN 562  -4.132   6.033  -4.599
  320   2HD2  ASN 562          2HD2      ASN 562  -5.501   5.393  -3.764
  321    H    GLY 563           H        GLY 563  -2.196   4.829  -7.297
  322   1HA   GLY 563          2HA       GLY 563  -0.308   4.272  -8.782
  323   2HA   GLY 563          1HA       GLY 563  -1.294   4.863 -10.112
  324    H    ARG 564           H        ARG 564  -0.564   6.206  -6.896
  325    HA   ARG 564           HA       ARG 564   0.871   8.416  -8.147
  326   1HB   ARG 564          2HB       ARG 564  -1.586   8.763  -6.424
  327   2HB   ARG 564          1HB       ARG 564  -0.460  10.063  -6.790
  328   1HG   ARG 564          2HG       ARG 564  -1.172  10.263  -8.939
  329   2HG   ARG 564          1HG       ARG 564  -1.599   8.556  -9.074
  330   1HD   ARG 564          2HD       ARG 564  -3.652   8.854  -8.045
  331   2HD   ARG 564          1HD       ARG 564  -3.150  10.345  -7.249
  332    HE   ARG 564           HE       ARG 564  -3.216  10.568 -10.106
  333   1HH1  ARG 564          1HH1      ARG 564  -5.133  10.708  -7.201
  334   2HH1  ARG 564          2HH1      ARG 564  -6.346  11.730  -7.896
  335   1HH2  ARG 564          1HH2      ARG 564  -4.809  11.918 -11.029
  336   2HH2  ARG 564          2HH2      ARG 564  -6.162  12.417 -10.071
  337    H    ALA 565           H        ALA 565   1.860   9.867  -6.471
  338    HA   ALA 565           HA       ALA 565   3.388   8.347  -4.674
  339   1HB   ALA 565          1HB       ALA 565   3.181  11.142  -5.453
  340   2HB   ALA 565          2HB       ALA 565   4.599  10.192  -5.007
  341   3HB   ALA 565          3HB       ALA 565   3.606  10.935  -3.753
  342    H    SER 566           H        SER 566   2.804   7.484  -2.807
  343    HA   SER 566           HA       SER 566   0.508   8.588  -1.371
  344   1HB   SER 566          2HB       SER 566   0.140   6.318  -1.529
  345   2HB   SER 566          1HB       SER 566   1.858   5.927  -1.457
  346    HG   SER 566           HG       SER 566   0.030   6.293   0.589
  347   1H    THR 227          1HT       THR 227  12.759  11.051  -0.217
  348   2H    THR 227          2HT       THR 227  14.422  11.359  -0.287
  349   3H    THR 227          3HT       THR 227  13.671  11.106   1.208
  350    HA   THR 227           HA       THR 227  13.222   8.937  -0.586
  351    HB   THR 227           HB       THR 227  15.414   9.507  -1.465
  352    HG1  THR 227           1HG      THR 227  15.835   7.360   0.342
  353   1HG2  THR 227          1HG2      THR 227  17.206   9.048   0.604
  354   2HG2  THR 227          2HG2      THR 227  15.973  10.083   1.325
  355   3HG2  THR 227          3HG2      THR 227  16.828  10.609  -0.127
  356    H    GLY 228           H        GLY 228  13.627   6.891   0.558
  357   1HA   GLY 228          2HA       GLY 228  14.442   6.070   2.840
  358   2HA   GLY 228          1HA       GLY 228  13.342   7.289   3.466
  359    H    LEU 229           H        LEU 229  13.216   4.686   1.031
  360    HA   LEU 229           HA       LEU 229  10.542   3.984   2.015
  361   1HB   LEU 229          2HB       LEU 229  10.754   4.434  -0.382
  362   2HB   LEU 229          1HB       LEU 229  11.968   3.179  -0.521
  363    HG   LEU 229           HG       LEU 229   9.939   1.740   0.528
  364   1HD1  LEU 229          1HD1      LEU 229   8.538   3.613  -1.352
  365   2HD1  LEU 229          2HD1      LEU 229   8.525   3.861   0.394
  366   3HD1  LEU 229          3HD1      LEU 229   7.844   2.386  -0.293
  367   1HD2  LEU 229          1HD2      LEU 229   9.662   0.815  -1.628
  368   2HD2  LEU 229          2HD2      LEU 229  11.333   1.373  -1.548
  369   3HD2  LEU 229          3HD2      LEU 229  10.127   2.322  -2.416
  370    HA   PRO 230           HA       PRO 230  12.821   0.593   4.007
  371   1HB   PRO 230          2HB       PRO 230  10.263   0.127   5.366
  372   2HB   PRO 230          1HB       PRO 230  11.838   0.523   6.056
  373   1HG   PRO 230          2HG       PRO 230   9.800   2.284   6.051
  374   2HG   PRO 230          1HG       PRO 230  11.491   2.796   5.886
  375   1HD   PRO 230          2HD       PRO 230   9.396   2.462   3.766
  376   2HD   PRO 230          1HD       PRO 230  10.589   3.761   3.975
  377    H    SER 231           H        SER 231  13.047  -1.050   2.603
  378    HA   SER 231           HA       SER 231  11.177  -2.157   0.923
  379   1HB   SER 231          2HB       SER 231  12.637  -4.232   0.988
  380   2HB   SER 231          1HB       SER 231  13.477  -2.726   0.623
  381    HG   SER 231           HG       SER 231  14.623  -2.996   2.355
  382    H    TYR 232           H        TYR 232  10.041  -4.181   0.964
  383    HA   TYR 232           HA       TYR 232   8.544  -4.522   3.374
  384   1HB   TYR 232          2HB       TYR 232   7.406  -4.747   1.271
  385   2HB   TYR 232          1HB       TYR 232   8.529  -5.989   0.734
  386    HD1  TYR 232           1HD      TYR 232   7.493  -6.247   4.183
  387    HD2  TYR 232           2HD      TYR 232   6.458  -7.289   0.192
  388    HE1  TYR 232           1HE      TYR 232   5.974  -7.982   5.039
  389    HE2  TYR 232           2HE      TYR 232   4.937  -9.031   1.035
  390    HH   TYR 232           HH       TYR 232   3.825  -9.754   2.917
  391    H    ASP 233           H        ASP 233  10.211  -5.147   4.844
  392    HA   ASP 233           HA       ASP 233  10.333  -7.866   5.391
  393   1HB   ASP 233          2HB       ASP 233  11.750  -8.111   3.439
  394   2HB   ASP 233          1HB       ASP 233  12.808  -6.819   4.000
  395    H    GLU 234           H        GLU 234  11.960  -4.760   5.608
  396    HA   GLU 234           HA       GLU 234  12.891  -5.391   8.313
  397   1HB   GLU 234          2HB       GLU 234  14.066  -3.154   8.085
  398   2HB   GLU 234          1HB       GLU 234  14.613  -4.427   7.003
  399   1HG   GLU 234          2HG       GLU 234  14.129  -3.218   5.213
  400   2HG   GLU 234          1HG       GLU 234  12.495  -2.897   5.794
  401    H    ALA 235           H        ALA 235  10.527  -3.541   6.596
  402    HA   ALA 235           HA       ALA 235   9.834  -2.016   9.001
  403   1HB   ALA 235          1HB       ALA 235   8.109  -1.082   7.182
  404   2HB   ALA 235          2HB       ALA 235   9.381  -1.653   6.102
  405   3HB   ALA 235          3HB       ALA 235   9.753  -0.465   7.351
  406    H    LEU 236           H        LEU 236   9.208  -4.339   9.757
  407    HA   LEU 236           HA       LEU 236   6.327  -4.454   9.660
  408   1HB   LEU 236          2HB       LEU 236   7.656  -5.970   7.802
  409   2HB   LEU 236          1HB       LEU 236   7.445  -7.108   9.119
  410    HG   LEU 236           HG       LEU 236   4.942  -6.016   8.922
  411   1HD1  LEU 236          1HD1      LEU 236   4.837  -6.540   6.230
  412   2HD1  LEU 236          2HD1      LEU 236   6.316  -5.594   6.390
  413   3HD1  LEU 236          3HD1      LEU 236   4.784  -4.942   6.975
  414   1HD2  LEU 236          1HD2      LEU 236   6.035  -8.438   7.495
  415   2HD2  LEU 236          2HD2      LEU 236   4.333  -8.129   7.841
  416   3HD2  LEU 236          3HD2      LEU 236   5.471  -8.376   9.165
  417    H    HIS 237           H        HIS 237   6.960  -3.842  11.881
  418    HA   HIS 237           HA       HIS 237   6.818  -6.114  13.605
  419   1HB   HIS 237          2HB       HIS 237   8.877  -5.749  14.852
  420   2HB   HIS 237          1HB       HIS 237   9.252  -6.072  13.162
  421    HD1  HIS 237           1HD      HIS 237  10.320  -3.980  15.764
  422    HD2  HIS 237           2HD      HIS 237   9.451  -3.333  11.752
  423    HE1  HIS 237           1HE      HIS 237  11.504  -1.847  15.156
  424    HE2  HIS 237           2HE      HIS 237  10.919  -1.445  12.739
  Start of MODEL   30
    1   1H    GLY 521          1HT       GLY 521 -19.550   6.836   2.640
    2   2H    GLY 521          2HT       GLY 521 -19.862   6.551   1.002
    3   3H    GLY 521          3HT       GLY 521 -19.909   5.271   2.107
    4   1HA   GLY 521          2HA       GLY 521 -22.145   5.804   1.656
    5   2HA   GLY 521          1HA       GLY 521 -21.816   7.520   1.836
    6    HA   PRO 522           HA       PRO 522 -23.229   7.202   6.005
    7   1HB   PRO 522          2HB       PRO 522 -25.773   6.248   5.986
    8   2HB   PRO 522          1HB       PRO 522 -25.353   7.875   5.435
    9   1HG   PRO 522          2HG       PRO 522 -25.837   5.396   3.825
   10   2HG   PRO 522          1HG       PRO 522 -26.401   7.051   3.527
   11   1HD   PRO 522          2HD       PRO 522 -24.280   5.995   2.230
   12   2HD   PRO 522          1HD       PRO 522 -24.374   7.719   2.645
   13    H    LEU 523           H        LEU 523 -24.304   4.245   4.334
   14    HA   LEU 523           HA       LEU 523 -23.616   2.700   6.738
   15   1HB   LEU 523          2HB       LEU 523 -25.198   1.726   4.368
   16   2HB   LEU 523          1HB       LEU 523 -25.081   0.993   5.957
   17    HG   LEU 523           HG       LEU 523 -26.225   3.734   5.775
   18   1HD1  LEU 523          1HD1      LEU 523 -28.063   3.200   4.642
   19   2HD1  LEU 523          2HD1      LEU 523 -28.251   1.678   5.513
   20   3HD1  LEU 523          3HD1      LEU 523 -27.196   1.762   4.102
   21   1HD2  LEU 523          1HD2      LEU 523 -27.682   2.767   7.565
   22   2HD2  LEU 523          2HD2      LEU 523 -25.962   2.807   7.955
   23   3HD2  LEU 523          3HD2      LEU 523 -26.720   1.292   7.464
   24    H    GLY 524           H        GLY 524 -21.338   3.203   5.833
   25   1HA   GLY 524          2HA       GLY 524 -20.489   0.807   4.390
   26   2HA   GLY 524          1HA       GLY 524 -20.078   2.356   3.669
   27    H    SER 525           H        SER 525 -18.084   0.617   4.318
   28    HA   SER 525           HA       SER 525 -16.689   2.120   6.391
   29   1HB   SER 525          2HB       SER 525 -17.617  -0.618   6.713
   30   2HB   SER 525          1HB       SER 525 -15.867  -0.498   6.885
   31    HG   SER 525           HG       SER 525 -16.150   1.000   8.512
   32    H    GLY 526           H        GLY 526 -14.379   1.904   6.295
   33   1HA   GLY 526          2HA       GLY 526 -12.633   0.513   4.971
   34   2HA   GLY 526          1HA       GLY 526 -13.477   1.198   3.590
   35    H    GLU 527           H        GLU 527 -10.681   1.503   4.487
   36    HA   GLU 527           HA       GLU 527 -10.369   4.149   5.509
   37   1HB   GLU 527          2HB       GLU 527  -8.364   2.431   4.038
   38   2HB   GLU 527          1HB       GLU 527  -8.000   3.852   5.007
   39   1HG   GLU 527          2HG       GLU 527  -9.164   2.522   6.911
   40   2HG   GLU 527          1HG       GLU 527  -8.838   1.128   5.883
   41    H    GLU 528           H        GLU 528  -9.640   2.760   2.303
   42    HA   GLU 528           HA       GLU 528 -10.691   5.100   0.989
   43   1HB   GLU 528          2HB       GLU 528  -8.511   5.965   1.448
   44   2HB   GLU 528          1HB       GLU 528  -7.745   4.468   0.936
   45   1HG   GLU 528          2HG       GLU 528  -7.446   6.172  -0.741
   46   2HG   GLU 528          1HG       GLU 528  -8.483   4.888  -1.364
   47    H    GLU 529           H        GLU 529  -8.189   2.939  -0.189
   48    HA   GLU 529           HA       GLU 529 -10.191   1.658  -1.920
   49   1HB   GLU 529          2HB       GLU 529  -8.224   3.341  -2.798
   50   2HB   GLU 529          1HB       GLU 529  -7.453   1.769  -2.972
   51   1HG   GLU 529          2HG       GLU 529  -8.528   2.362  -5.030
   52   2HG   GLU 529          1HG       GLU 529  -9.378   1.001  -4.298
   53    HA   PRO 530           HA       PRO 530  -8.795  -2.085   0.098
   54   1HB   PRO 530          2HB       PRO 530  -9.837  -3.313  -2.406
   55   2HB   PRO 530          1HB       PRO 530 -10.197  -3.712  -0.723
   56   1HG   PRO 530          2HG       PRO 530 -11.962  -2.386  -2.207
   57   2HG   PRO 530          1HG       PRO 530 -11.718  -1.973  -0.499
   58   1HD   PRO 530          2HD       PRO 530 -10.755  -0.560  -2.949
   59   2HD   PRO 530          1HD       PRO 530 -11.334   0.114  -1.412
   60    H    LEU 531           H        LEU 531  -6.644  -2.381   0.081
   61    HA   LEU 531           HA       LEU 531  -4.897  -2.115  -2.040
   62   1HB   LEU 531          2HB       LEU 531  -4.436  -4.152   0.115
   63   2HB   LEU 531          1HB       LEU 531  -3.262  -3.128  -0.690
   64    HG   LEU 531           HG       LEU 531  -4.941  -1.311   0.548
   65   1HD1  LEU 531          1HD1      LEU 531  -4.945  -3.859   2.016
   66   2HD1  LEU 531          2HD1      LEU 531  -6.075  -2.505   2.080
   67   3HD1  LEU 531          3HD1      LEU 531  -4.557  -2.430   2.975
   68   1HD2  LEU 531          1HD2      LEU 531  -2.934  -0.580   1.134
   69   2HD2  LEU 531          2HD2      LEU 531  -2.231  -2.098   0.580
   70   3HD2  LEU 531          3HD2      LEU 531  -2.746  -1.927   2.256
   71    HA   PRO 532           HA       PRO 532  -5.665  -5.422  -4.841
   72   1HB   PRO 532          2HB       PRO 532  -2.695  -5.609  -4.979
   73   2HB   PRO 532          1HB       PRO 532  -3.877  -5.487  -6.285
   74   1HG   PRO 532          2HG       PRO 532  -2.433  -3.379  -5.574
   75   2HG   PRO 532          1HG       PRO 532  -4.141  -3.201  -6.013
   76   1HD   PRO 532          2HD       PRO 532  -2.859  -3.142  -3.318
   77   2HD   PRO 532          1HD       PRO 532  -4.255  -2.229  -3.925
   78    HA   PRO 533           HA       PRO 533  -5.031  -9.409  -3.126
   79   1HB   PRO 533          2HB       PRO 533  -3.415 -10.429  -5.349
   80   2HB   PRO 533          1HB       PRO 533  -5.020 -10.918  -4.801
   81   1HG   PRO 533          2HG       PRO 533  -4.679  -9.556  -7.082
   82   2HG   PRO 533          1HG       PRO 533  -6.085  -9.272  -6.036
   83   1HD   PRO 533          2HD       PRO 533  -3.562  -7.674  -6.295
   84   2HD   PRO 533          1HD       PRO 533  -5.244  -7.111  -6.178
   85    H    ARG 534           H        ARG 534  -2.144  -7.777  -3.899
   86    HA   ARG 534           HA       ARG 534  -0.744  -9.444  -1.937
   87   1HB   ARG 534          2HB       ARG 534   0.290  -8.817  -4.703
   88   2HB   ARG 534          1HB       ARG 534   1.294  -9.447  -3.404
   89   1HG   ARG 534          2HG       ARG 534  -1.183 -10.882  -4.286
   90   2HG   ARG 534          1HG       ARG 534   0.357 -11.092  -5.126
   91   1HD   ARG 534          2HD       ARG 534   1.361 -12.099  -3.303
   92   2HD   ARG 534          1HD       ARG 534   0.233 -11.380  -2.154
   93    HE   ARG 534           HE       ARG 534  -1.168 -13.123  -3.855
   94   1HH1  ARG 534          1HH1      ARG 534   1.177 -13.186  -1.283
   95   2HH1  ARG 534          2HH1      ARG 534   0.709 -14.755  -0.719
   96   1HH2  ARG 534          1HH2      ARG 534  -1.794 -15.189  -3.123
   97   2HH2  ARG 534          2HH2      ARG 534  -0.981 -15.895  -1.766
   98    H    TRP 535           H        TRP 535  -1.754  -6.943  -1.414
   99    HA   TRP 535           HA       TRP 535   0.748  -5.488  -1.006
  100   1HB   TRP 535          2HB       TRP 535  -1.711  -4.239  -2.212
  101   2HB   TRP 535          1HB       TRP 535  -0.299  -3.345  -1.664
  102    HD1  TRP 535           HD       TRP 535  -1.057  -6.192  -4.198
  103    HE1  TRP 535           1HE      TRP 535   0.475  -5.862  -6.232
  104    HE3  TRP 535           3HE      TRP 535   1.578  -2.152  -2.545
  105    HZ2  TRP 535           2HZ      TRP 535   2.550  -4.095  -7.025
  106    HZ3  TRP 535           3HZ      TRP 535   3.323  -1.198  -3.996
  107    HH2  TRP 535           HH       TRP 535   3.798  -2.155  -6.191
  108    H    SER 536           H        SER 536   0.448  -3.564   0.425
  109    HA   SER 536           HA       SER 536  -1.759  -3.654   2.285
  110   1HB   SER 536          2HB       SER 536   0.651  -5.084   2.846
  111   2HB   SER 536          1HB       SER 536   0.543  -3.723   3.949
  112    HG   SER 536           HG       SER 536  -1.106  -5.955   3.703
  113    H    MET 537           H        MET 537  -0.553  -2.216   4.351
  114    HA   MET 537           HA       MET 537   0.421   0.216   3.012
  115   1HB   MET 537          2HB       MET 537  -1.723   0.023   5.123
  116   2HB   MET 537          1HB       MET 537  -0.990   1.534   4.598
  117   1HG   MET 537          2HG       MET 537  -1.754   0.660   2.227
  118   2HG   MET 537          1HG       MET 537  -2.911  -0.242   3.204
  119   1HE   MET 537          1HE       MET 537  -5.109   0.926   4.337
  120   2HE   MET 537          2HE       MET 537  -5.015   0.582   2.609
  121   3HE   MET 537          3HE       MET 537  -5.693   2.111   3.169
  122    H    GLN 538           H        GLN 538   1.685   1.625   4.321
  123    HA   GLN 538           HA       GLN 538   2.351   1.024   7.013
  124   1HB   GLN 538          2HB       GLN 538   3.517  -0.824   5.719
  125   2HB   GLN 538          1HB       GLN 538   4.545   0.426   5.033
  126   1HG   GLN 538          2HG       GLN 538   5.793  -0.394   6.800
  127   2HG   GLN 538          1HG       GLN 538   5.052   1.059   7.467
  128   1HE2  GLN 538          1HE2      GLN 538   4.580  -2.436   7.198
  129   2HE2  GLN 538          2HE2      GLN 538   3.843  -2.633   8.748
  130    H    VAL 539           H        VAL 539   3.034   2.842   7.936
  131    HA   VAL 539           HA       VAL 539   3.679   5.127   6.267
  132    HB   VAL 539           HB       VAL 539   3.589   5.034   9.284
  133   1HG1  VAL 539          1HG1      VAL 539   3.206   7.414   9.121
  134   2HG1  VAL 539          2HG1      VAL 539   3.189   7.322   7.359
  135   3HG1  VAL 539          3HG1      VAL 539   4.678   6.991   8.246
  136   1HG2  VAL 539          1HG2      VAL 539   1.320   5.316   9.305
  137   2HG2  VAL 539          2HG2      VAL 539   1.476   4.279   7.888
  138   3HG2  VAL 539          3HG2      VAL 539   1.279   6.019   7.689
  139    H    ALA 540           H        ALA 540   5.667   5.791   5.822
  140    HA   ALA 540           HA       ALA 540   7.898   4.545   7.251
  141   1HB   ALA 540          1HB       ALA 540   9.048   5.855   5.167
  142   2HB   ALA 540          2HB       ALA 540   7.458   5.472   4.505
  143   3HB   ALA 540          3HB       ALA 540   8.492   4.182   5.119
  144    HA   PRO 541           HA       PRO 541   9.133   8.202   9.379
  145   1HB   PRO 541          2HB       PRO 541  11.916   7.660   8.535
  146   2HB   PRO 541          1HB       PRO 541  11.236   7.768  10.161
  147   1HG   PRO 541          2HG       PRO 541  11.957   5.417   9.105
  148   2HG   PRO 541          1HG       PRO 541  10.541   5.564  10.162
  149   1HD   PRO 541          2HD       PRO 541  10.666   5.324   7.182
  150   2HD   PRO 541          1HD       PRO 541   9.516   4.603   8.326
  151    H    ASN 542           H        ASN 542  10.191   7.627   6.111
  152    HA   ASN 542           HA       ASN 542  11.449   9.947   5.387
  153   1HB   ASN 542          2HB       ASN 542  10.904   7.909   3.949
  154   2HB   ASN 542          1HB       ASN 542   9.335   8.655   3.664
  155   1HD2  ASN 542          1HD2      ASN 542   9.919   8.657   1.437
  156   2HD2  ASN 542          2HD2      ASN 542  10.940   9.895   0.804
  157    H    GLY 543           H        GLY 543   8.030   9.433   5.981
  158   1HA   GLY 543          2HA       GLY 543   6.944  11.509   6.888
  159   2HA   GLY 543          1HA       GLY 543   7.567  12.302   5.451
  160    H    ARG 544           H        ARG 544   6.853   9.454   4.202
  161    HA   ARG 544           HA       ARG 544   3.984  10.000   3.888
  162   1HB   ARG 544          2HB       ARG 544   4.091   9.730   1.526
  163   2HB   ARG 544          1HB       ARG 544   5.343  10.885   1.959
  164   1HG   ARG 544          2HG       ARG 544   6.538   8.343   2.046
  165   2HG   ARG 544          1HG       ARG 544   5.577   8.402   0.569
  166   1HD   ARG 544          2HD       ARG 544   7.856  10.150   1.414
  167   2HD   ARG 544          1HD       ARG 544   7.643   9.248  -0.085
  168    HE   ARG 544           HE       ARG 544   5.630  11.026  -0.194
  169   1HH1  ARG 544          1HH1      ARG 544   9.035  11.373   0.451
  170   2HH1  ARG 544          2HH1      ARG 544   9.127  12.974  -0.203
  171   1HH2  ARG 544          1HH2      ARG 544   5.740  13.135  -1.054
  172   2HH2  ARG 544          2HH2      ARG 544   7.254  13.977  -1.057
  173    H    THR 545           H        THR 545   2.710   8.200   3.216
  174    HA   THR 545           HA       THR 545   3.631   5.723   4.369
  175    HB   THR 545           HB       THR 545   1.282   5.020   3.267
  176    HG1  THR 545           1HG      THR 545   0.176   6.705   2.642
  177   1HG2  THR 545          1HG2      THR 545   1.578   6.639   5.801
  178   2HG2  THR 545          2HG2      THR 545   1.846   4.903   5.648
  179   3HG2  THR 545          3HG2      THR 545   0.232   5.569   5.410
  180    H    PHE 546           H        PHE 546   3.934   3.775   3.274
  181    HA   PHE 546           HA       PHE 546   4.162   4.052   0.358
  182   1HB   PHE 546          2HB       PHE 546   5.966   2.289   0.547
  183   2HB   PHE 546          1HB       PHE 546   6.371   3.880   1.174
  184    HD1  PHE 546           1HD      PHE 546   6.041   4.235   3.718
  185    HD2  PHE 546           2HD      PHE 546   6.295   0.415   1.851
  186    HE1  PHE 546           1HE      PHE 546   6.671   3.218   5.872
  187    HE2  PHE 546           2HE      PHE 546   6.920  -0.601   4.001
  188    HZ   PHE 546           HZ       PHE 546   7.110   0.803   6.014
  189    H    PHE 547           H        PHE 547   4.171   1.858  -0.757
  190    HA   PHE 547           HA       PHE 547   2.062   0.188   0.436
  191   1HB   PHE 547          2HB       PHE 547   2.264   1.445  -2.163
  192   2HB   PHE 547          1HB       PHE 547   2.050  -0.296  -2.317
  193    HD1  PHE 547           1HD      PHE 547   0.641   2.675  -0.574
  194    HD2  PHE 547           2HD      PHE 547  -0.079  -1.206  -2.165
  195    HE1  PHE 547           1HE      PHE 547  -1.764   2.943  -0.130
  196    HE2  PHE 547           2HE      PHE 547  -2.486  -0.944  -1.724
  197    HZ   PHE 547           HZ       PHE 547  -3.330   1.133  -0.706
  198    H    ILE 548           H        ILE 548   2.429  -1.834   0.755
  199    HA   ILE 548           HA       ILE 548   5.002  -2.926   0.000
  200    HB   ILE 548           HB       ILE 548   2.811  -3.962   1.788
  201   1HG1  ILE 548          2HG1      ILE 548   5.306  -3.572   3.102
  202   2HG1  ILE 548          1HG1      ILE 548   4.966  -2.125   2.153
  203   1HG2  ILE 548          1HG2      ILE 548   3.803  -5.933   1.032
  204   2HG2  ILE 548          2HG2      ILE 548   4.692  -5.576   2.513
  205   3HG2  ILE 548          3HG2      ILE 548   5.406  -5.205   0.945
  206   1HD1  ILE 548          1HD1      ILE 548   4.026  -2.671   4.669
  207   2HD1  ILE 548          2HD1      ILE 548   2.654  -3.077   3.637
  208   3HD1  ILE 548          3HD1      ILE 548   3.373  -1.468   3.557
  209    H    ASP 549           H        ASP 549   5.249  -4.885  -1.054
  210    HA   ASP 549           HA       ASP 549   2.947  -5.823  -2.626
  211   1HB   ASP 549          2HB       ASP 549   4.344  -4.449  -4.071
  212   2HB   ASP 549          1HB       ASP 549   5.770  -5.373  -3.617
  213    H    HIS 550           H        HIS 550   2.533  -7.858  -2.103
  214    HA   HIS 550           HA       HIS 550   4.551  -9.544  -0.917
  215   1HB   HIS 550          2HB       HIS 550   1.678 -10.166  -1.633
  216   2HB   HIS 550          1HB       HIS 550   2.734 -11.165  -0.639
  217    HD2  HIS 550           2HD      HIS 550   2.165  -7.289  -0.224
  218    HE1  HIS 550           1HE      HIS 550   1.010  -9.320   3.305
  219    HE2  HIS 550           2HE      HIS 550   1.159  -7.064   2.157
  220    H    ALA 551           H        ALA 551   3.139  -9.065  -4.034
  221    HA   ALA 551           HA       ALA 551   3.511 -11.539  -5.237
  222   1HB   ALA 551          1HB       ALA 551   2.449 -10.195  -6.706
  223   2HB   ALA 551          2HB       ALA 551   4.084  -9.878  -7.285
  224   3HB   ALA 551          3HB       ALA 551   3.308  -8.750  -6.170
  225    H    SER 552           H        SER 552   5.810  -8.921  -4.679
  226    HA   SER 552           HA       SER 552   7.980 -10.749  -5.469
  227   1HB   SER 552          2HB       SER 552   7.351  -8.355  -6.712
  228   2HB   SER 552          1HB       SER 552   8.670  -7.920  -5.622
  229    HG   SER 552           HG       SER 552   9.803  -9.770  -6.551
  230    H    ARG 553           H        ARG 553   6.583  -9.149  -2.907
  231    HA   ARG 553           HA       ARG 553   7.235  -8.793  -0.762
  232   1HB   ARG 553          2HB       ARG 553   9.794 -10.179  -1.579
  233   2HB   ARG 553          1HB       ARG 553   9.264  -9.869   0.066
  234   1HG   ARG 553          2HG       ARG 553   7.882 -11.652  -1.928
  235   2HG   ARG 553          1HG       ARG 553   8.868 -12.181  -0.564
  236   1HD   ARG 553          2HD       ARG 553   7.108 -10.579   0.703
  237   2HD   ARG 553          1HD       ARG 553   6.105 -11.151  -0.629
  238    HE   ARG 553           HE       ARG 553   7.440 -13.326   0.576
  239   1HH1  ARG 553          1HH1      ARG 553   4.859 -11.061   1.150
  240   2HH1  ARG 553          2HH1      ARG 553   3.974 -12.132   2.184
  241   1HH2  ARG 553          1HH2      ARG 553   6.283 -14.746   1.934
  242   2HH2  ARG 553          2HH2      ARG 553   4.783 -14.229   2.629
  243    H    ARG 554           H        ARG 554   7.275  -6.557  -1.892
  244    HA   ARG 554           HA       ARG 554   9.693  -5.232  -0.996
  245   1HB   ARG 554          2HB       ARG 554   8.767  -5.140  -3.866
  246   2HB   ARG 554          1HB       ARG 554   9.870  -3.965  -3.170
  247   1HG   ARG 554          2HG       ARG 554  11.522  -5.645  -2.776
  248   2HG   ARG 554          1HG       ARG 554  10.398  -6.924  -3.244
  249   1HD   ARG 554          2HD       ARG 554  11.962  -6.441  -5.047
  250   2HD   ARG 554          1HD       ARG 554  10.316  -6.017  -5.513
  251    HE   ARG 554           HE       ARG 554  11.874  -3.840  -4.426
  252   1HH1  ARG 554          1HH1      ARG 554  10.896  -5.556  -7.300
  253   2HH1  ARG 554          2HH1      ARG 554  11.230  -4.228  -8.360
  254   1HH2  ARG 554          1HH2      ARG 554  12.319  -2.090  -5.818
  255   2HH2  ARG 554          2HH2      ARG 554  12.038  -2.259  -7.518
  256    H    THR 555           H        THR 555   9.344  -2.722  -1.781
  257    HA   THR 555           HA       THR 555   6.551  -1.995  -1.264
  258    HB   THR 555           HB       THR 555   7.319  -0.201   0.301
  259    HG1  THR 555           1HG      THR 555   9.388  -0.074   0.872
  260   1HG2  THR 555          1HG2      THR 555   8.278  -2.578   1.697
  261   2HG2  THR 555          2HG2      THR 555   6.773  -2.848   0.820
  262   3HG2  THR 555          3HG2      THR 555   6.874  -1.565   2.026
  263    H    THR 556           H        THR 556   6.285   0.467  -1.528
  264    HA   THR 556           HA       THR 556   8.159   1.824  -3.210
  265    HB   THR 556           HB       THR 556   7.332   0.488  -4.983
  266    HG1  THR 556           1HG      THR 556   6.046   2.119  -6.175
  267   1HG2  THR 556          1HG2      THR 556   4.872   0.568  -3.467
  268   2HG2  THR 556          2HG2      THR 556   5.378  -0.563  -4.723
  269   3HG2  THR 556          3HG2      THR 556   4.584   0.948  -5.165
  270    H    TRP 557           H        TRP 557   7.175   3.900  -4.081
  271    HA   TRP 557           HA       TRP 557   5.590   5.101  -1.945
  272   1HB   TRP 557          2HB       TRP 557   7.129   6.311  -4.248
  273   2HB   TRP 557          1HB       TRP 557   6.210   7.243  -3.071
  274    HD1  TRP 557           HD       TRP 557   9.613   6.548  -3.712
  275    HE1  TRP 557           1HE      TRP 557  11.051   6.536  -1.575
  276    HE3  TRP 557           3HE      TRP 557   5.892   6.116  -0.258
  277    HZ2  TRP 557           2HZ      TRP 557  10.651   6.366   1.219
  278    HZ3  TRP 557           3HZ      TRP 557   6.497   6.040   2.133
  279    HH2  TRP 557           HH       TRP 557   8.826   6.157   2.852
  280    H    ILE 558           H        ILE 558   4.532   3.363  -4.244
  281    HA   ILE 558           HA       ILE 558   2.422   5.247  -5.045
  282    HB   ILE 558           HB       ILE 558   3.545   3.141  -6.884
  283   1HG1  ILE 558          2HG1      ILE 558   5.131   5.071  -6.211
  284   2HG1  ILE 558          1HG1      ILE 558   4.903   4.744  -7.928
  285   1HG2  ILE 558          1HG2      ILE 558   2.349   4.598  -8.589
  286   2HG2  ILE 558          2HG2      ILE 558   1.551   5.361  -7.213
  287   3HG2  ILE 558          3HG2      ILE 558   1.338   3.637  -7.510
  288   1HD1  ILE 558          1HD1      ILE 558   3.622   6.658  -8.239
  289   2HD1  ILE 558          2HD1      ILE 558   4.886   7.174  -7.122
  290   3HD1  ILE 558          3HD1      ILE 558   3.268   6.817  -6.519
  291    H    ASP 559           H        ASP 559   0.378   4.485  -4.962
  292    HA   ASP 559           HA       ASP 559   0.017   1.789  -3.892
  293   1HB   ASP 559          2HB       ASP 559  -2.329   2.630  -3.427
  294   2HB   ASP 559          1HB       ASP 559  -1.035   3.436  -2.547
  295    HA   PRO 560           HA       PRO 560  -1.074   0.465  -8.070
  296   1HB   PRO 560          2HB       PRO 560  -2.342  -1.855  -7.079
  297   2HB   PRO 560          1HB       PRO 560  -0.699  -1.730  -7.705
  298   1HG   PRO 560          2HG       PRO 560  -1.654  -1.775  -4.901
  299   2HG   PRO 560          1HG       PRO 560  -0.111  -2.311  -5.582
  300   1HD   PRO 560          2HD       PRO 560  -0.353  -0.051  -4.135
  301   2HD   PRO 560          1HD       PRO 560   0.822  -0.211  -5.456
  302    H    ARG 561           H        ARG 561  -3.278   0.411  -5.310
  303    HA   ARG 561           HA       ARG 561  -5.706   0.037  -6.537
  304   1HB   ARG 561          2HB       ARG 561  -6.534   1.717  -4.716
  305   2HB   ARG 561          1HB       ARG 561  -5.834   0.178  -4.231
  306   1HG   ARG 561          2HG       ARG 561  -4.045   1.141  -3.273
  307   2HG   ARG 561          1HG       ARG 561  -3.924   2.393  -4.512
  308   1HD   ARG 561          2HD       ARG 561  -4.596   3.702  -2.787
  309   2HD   ARG 561          1HD       ARG 561  -6.185   3.186  -3.349
  310    HE   ARG 561           HE       ARG 561  -5.521   1.291  -1.541
  311   1HH1  ARG 561          1HH1      ARG 561  -5.580   4.770  -1.433
  312   2HH1  ARG 561          2HH1      ARG 561  -5.952   4.842   0.257
  313   1HH2  ARG 561          1HH2      ARG 561  -6.017   1.371   0.681
  314   2HH2  ARG 561          2HH2      ARG 561  -6.199   2.907   1.460
  315    H    ASN 562           H        ASN 562  -3.682   2.889  -6.542
  316    HA   ASN 562           HA       ASN 562  -5.554   4.151  -8.431
  317   1HB   ASN 562          2HB       ASN 562  -3.871   5.837  -6.611
  318   2HB   ASN 562          1HB       ASN 562  -5.379   6.241  -7.424
  319   1HD2  ASN 562          1HD2      ASN 562  -4.127   5.824  -4.509
  320   2HD2  ASN 562          2HD2      ASN 562  -5.492   5.208  -3.648
  321    H    GLY 563           H        GLY 563  -2.262   4.666  -7.144
  322   1HA   GLY 563          2HA       GLY 563  -0.391   4.090  -8.675
  323   2HA   GLY 563          1HA       GLY 563  -1.334   4.855  -9.945
  324    H    ARG 564           H        ARG 564  -1.013   6.096  -6.672
  325    HA   ARG 564           HA       ARG 564   0.816   8.179  -7.623
  326   1HB   ARG 564          2HB       ARG 564  -1.685   8.787  -6.042
  327   2HB   ARG 564          1HB       ARG 564  -0.521   9.949  -6.661
  328   1HG   ARG 564          2HG       ARG 564  -1.869  10.168  -8.410
  329   2HG   ARG 564          1HG       ARG 564  -1.313   8.570  -8.915
  330   1HD   ARG 564          2HD       ARG 564  -3.347   7.733  -8.610
  331   2HD   ARG 564          1HD       ARG 564  -3.346   8.271  -6.931
  332    HE   ARG 564           HE       ARG 564  -4.806   9.900  -7.546
  333   1HH1  ARG 564          1HH1      ARG 564  -2.957   8.983 -10.349
  334   2HH1  ARG 564          2HH1      ARG 564  -3.817  10.036 -11.423
  335   1HH2  ARG 564          1HH2      ARG 564  -5.947  11.290  -8.950
  336   2HH2  ARG 564          2HH2      ARG 564  -5.516  11.348 -10.627
  337    H    ALA 565           H        ALA 565   1.309   9.672  -5.589
  338    HA   ALA 565           HA       ALA 565   2.861   8.217  -3.846
  339   1HB   ALA 565          1HB       ALA 565   2.195  10.453  -2.369
  340   2HB   ALA 565          2HB       ALA 565   1.945  10.966  -4.037
  341   3HB   ALA 565          3HB       ALA 565   3.511  10.327  -3.537
  342    H    SER 566           H        SER 566   2.191   6.626  -2.566
  343    HA   SER 566           HA       SER 566  -0.372   6.248  -1.560
  344   1HB   SER 566          2HB       SER 566   0.976   4.344  -1.508
  345   2HB   SER 566          1HB       SER 566   2.326   5.200  -0.763
  346    HG   SER 566           HG       SER 566   1.273   5.168   1.178
  347   1H    THR 227          1HT       THR 227  14.492   9.413  -1.922
  348   2H    THR 227          2HT       THR 227  16.091   9.552  -1.388
  349   3H    THR 227          3HT       THR 227  14.817   9.941  -0.347
  350    HA   THR 227           HA       THR 227  14.461   7.320  -1.298
  351    HB   THR 227           HB       THR 227  16.818   7.142  -1.644
  352    HG1  THR 227           1HG      THR 227  16.028   5.351  -0.555
  353   1HG2  THR 227          1HG2      THR 227  18.213   8.540  -0.614
  354   2HG2  THR 227          2HG2      THR 227  17.984   7.617   0.871
  355   3HG2  THR 227          3HG2      THR 227  16.955   9.008   0.531
  356    H    GLY 228           H        GLY 228  14.599   5.806   0.734
  357   1HA   GLY 228          2HA       GLY 228  14.543   5.917   3.226
  358   2HA   GLY 228          1HA       GLY 228  13.540   7.345   3.023
  359    H    LEU 229           H        LEU 229  13.317   4.389   1.126
  360    HA   LEU 229           HA       LEU 229  10.581   4.038   2.141
  361   1HB   LEU 229          2HB       LEU 229  10.650   4.380  -0.230
  362   2HB   LEU 229          1HB       LEU 229  11.896   3.166  -0.426
  363    HG   LEU 229           HG       LEU 229   9.674   1.898   0.806
  364   1HD1  LEU 229          1HD1      LEU 229   7.877   2.301  -0.684
  365   2HD1  LEU 229          2HD1      LEU 229   8.876   3.316  -1.724
  366   3HD1  LEU 229          3HD1      LEU 229   8.422   3.879  -0.115
  367   1HD2  LEU 229          1HD2      LEU 229  10.965   0.531  -0.491
  368   2HD2  LEU 229          2HD2      LEU 229  11.180   1.743  -1.754
  369   3HD2  LEU 229          3HD2      LEU 229   9.655   0.869  -1.621
  370    HA   PRO 230           HA       PRO 230  12.571   0.565   4.332
  371   1HB   PRO 230          2HB       PRO 230   9.785   0.318   5.327
  372   2HB   PRO 230          1HB       PRO 230  11.303   0.372   6.230
  373   1HG   PRO 230          2HG       PRO 230   9.656   2.470   6.195
  374   2HG   PRO 230          1HG       PRO 230  11.416   2.687   6.160
  375   1HD   PRO 230          2HD       PRO 230   9.434   2.901   3.932
  376   2HD   PRO 230          1HD       PRO 230  10.877   3.884   4.258
  377    H    SER 231           H        SER 231  12.884  -0.953   2.769
  378    HA   SER 231           HA       SER 231  11.026  -2.013   1.019
  379   1HB   SER 231          2HB       SER 231  13.513  -2.334   0.913
  380   2HB   SER 231          1HB       SER 231  13.362  -3.533   2.197
  381    HG   SER 231           HG       SER 231  13.357  -4.461   0.086
  382    H    TYR 232           H        TYR 232   9.945  -4.037   0.948
  383    HA   TYR 232           HA       TYR 232   8.518  -4.626   3.333
  384   1HB   TYR 232          2HB       TYR 232   7.449  -4.818   1.159
  385   2HB   TYR 232          1HB       TYR 232   8.604  -6.050   0.667
  386    HD1  TYR 232           1HD      TYR 232   7.628  -6.421   4.084
  387    HD2  TYR 232           2HD      TYR 232   6.417  -7.257   0.091
  388    HE1  TYR 232           1HE      TYR 232   6.114  -8.168   4.917
  389    HE2  TYR 232           2HE      TYR 232   4.896  -9.008   0.917
  390    HH   TYR 232           HH       TYR 232   3.888  -9.850   2.775
  391    H    ASP 233           H        ASP 233  10.496  -5.102   4.615
  392    HA   ASP 233           HA       ASP 233  10.713  -7.870   5.096
  393   1HB   ASP 233          2HB       ASP 233  12.142  -7.621   3.009
  394   2HB   ASP 233          1HB       ASP 233  13.250  -6.663   3.987
  395    H    GLU 234           H        GLU 234  12.287  -4.721   5.394
  396    HA   GLU 234           HA       GLU 234  12.972  -5.373   8.180
  397   1HB   GLU 234          2HB       GLU 234  14.415  -3.222   7.892
  398   2HB   GLU 234          1HB       GLU 234  14.971  -4.736   7.193
  399   1HG   GLU 234          2HG       GLU 234  14.584  -4.054   5.047
  400   2HG   GLU 234          1HG       GLU 234  13.321  -2.918   5.520
  401    H    ALA 235           H        ALA 235  10.355  -4.403   6.992
  402    HA   ALA 235           HA       ALA 235   9.837  -2.405   9.023
  403   1HB   ALA 235          1HB       ALA 235  10.102  -1.717   6.198
  404   2HB   ALA 235          2HB       ALA 235  10.111  -0.681   7.626
  405   3HB   ALA 235          3HB       ALA 235   8.579  -1.191   6.916
  406    H    LEU 236           H        LEU 236   8.711  -4.481   9.609
  407    HA   LEU 236           HA       LEU 236   5.941  -4.278   8.784
  408   1HB   LEU 236          2HB       LEU 236   5.699  -6.623   8.215
  409   2HB   LEU 236          1HB       LEU 236   6.868  -5.855   7.158
  410    HG   LEU 236           HG       LEU 236   7.825  -7.334   9.577
  411   1HD1  LEU 236          1HD1      LEU 236   6.275  -8.863   8.474
  412   2HD1  LEU 236          2HD1      LEU 236   7.946  -9.388   8.273
  413   3HD1  LEU 236          3HD1      LEU 236   7.103  -8.602   6.938
  414   1HD2  LEU 236          1HD2      LEU 236   9.768  -6.732   8.689
  415   2HD2  LEU 236          2HD2      LEU 236   8.968  -6.072   7.263
  416   3HD2  LEU 236          3HD2      LEU 236   9.414  -7.777   7.313
  417    H    HIS 237           H        HIS 237   7.520  -3.843  11.215
  418    HA   HIS 237           HA       HIS 237   5.817  -5.308  13.031
  419   1HB   HIS 237          2HB       HIS 237   7.878  -5.986  14.421
  420   2HB   HIS 237          1HB       HIS 237   7.487  -6.956  13.005
  421    HD1  HIS 237           1HD      HIS 237   9.990  -4.466  14.273
  422    HD2  HIS 237           2HD      HIS 237   9.382  -6.915  10.973
  423    HE1  HIS 237           1HE      HIS 237  12.151  -4.411  12.989
  424    HE2  HIS 237           2HE      HIS 237  11.732  -5.835  10.952