*HEADER    ALLERGEN                                24-APR-98   1BBG      
*TITLE     RAGWEED POLLEN ALLERGEN FROM AMBROSIA TRIFIDA V, NMR,         
*TITLE    2 MINIMIZED AVERAGE STRUCTURE                                  
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: POLLEN ALLERGEN 5;                                 
*COMPND   3 CHAIN: NULL                                                  
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 ORGANISM_SCIENTIFIC: AMBROSIA TRIFIDA;                       
*SOURCE   3 ORGANISM_COMMON: GIANT RAGWEED;                              
*SOURCE   4 OTHER_DETAILS: POLLEN                                        
*KEYWDS    PROTEIN ALLERGEN, SMALL HIGHLY DISULFIDE BONDED               
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                              
*AUTHOR    G.L.WARREN,C.J.TUNER,G.A.PETSKO,A.T.BRUNGER                   
*REVDAT   1   12-OCT-04 1BBG    0   

 
 ASSIgn ((segid "    " and resid 8    and name HN  ))
        ((segid "    " and resid 9    and name HN  ))
        3.8728    0.8907    0.8907 { previous:     3.7934    0.8725    0.8725 }
 
 ASSIgn ((segid "    " and resid 16   and name HN  ))
        ((segid "    " and resid 17   and name HN  ))
        4.1382    0.9518    0.9518 { previous:     4.0976    0.9424    0.9424 }
 
 ASSIgn ((segid "    " and resid 9    and name HN  ))
        ((segid "    " and resid 10   and name HN  ))
        1.9886    0.2886    0.4574 { previous:     2.0317    0.3317    0.4673 }
 
 ASSIgn ((segid "    " and resid 10   and name HN  ))
        ((segid "    " and resid 11   and name HN  ))
        2.4900    0.5727    0.5727 { previous:     2.5084    0.5769    0.5769 }
 
 ASSIgn ((segid "    " and resid 11   and name HN  ))
        ((segid "    " and resid 12   and name HN  ))
        2.1947    0.4947    0.5048 { previous:     2.2232    0.5113    0.5113 }
 
 ASSIgn ((segid "    " and resid 11   and name HN  ))
        ((segid "    " and resid 13   and name HN  ))
        2.6277    0.6044    0.6044 { previous:     2.6406    0.6073    0.6073 }
 
 ASSIgn ((segid "    " and resid 12   and name HN  ))
        ((segid "    " and resid 13   and name HN  ))
        2.3158    0.5326    0.5326 { previous:     2.3302    0.5359    0.5359 }
 
 ASSIgn ((segid "    " and resid 13   and name HN  ))
        ((segid "    " and resid 14   and name HN  ))
        3.1463    0.7237    0.7237 { previous:     3.1381    0.7218    0.7218 }
 
 ASSIgn ((segid "    " and resid 15   and name HN  ))
        ((segid "    " and resid 16   and name HN  ))
        2.9142    0.6703    0.6703 { previous:     2.9315    0.6742    0.6742 }
 
 ASSIgn ((segid "    " and resid 19   and name HN  ))
        ((segid "    " and resid 27   and name HN  ))
        3.0066    0.6915    0.6915 { previous:     3.0188    0.6943    0.6943 }
 
 ASSIgn ((segid "    " and resid 23   and name HN  ))
        ((segid "    " and resid 24   and name HN  ))
        2.2781    0.5240    0.5240 { previous:     2.1311    0.4311    0.4901 }
 
 ASSIgn ((segid "    " and resid 30   and name HN  ))
        ((segid "    " and resid 31   and name HN  ))
        2.7856    0.6407    0.6407 { previous:     2.7989    0.6438    0.6438 }
 
 ASSIgn ((segid "    " and resid 31   and name HN  ))
        ((segid "    " and resid 34   and name HN  ))
        3.2968    0.7583    0.7583 { previous:     3.3172    0.7630    0.7630 }
 
 ASSIgn ((segid "    " and resid 32   and name HN  ))
        ((segid "    " and resid 33   and name HN  ))
        2.6808    0.6166    0.6166 { previous:     2.6973    0.6204    0.6204 }
 
 ASSIgn ((segid "    " and resid 33   and name HN  ))
        ((segid "    " and resid 34   and name HN  ))
        2.5434    0.5850    0.5850 { previous:     2.5553    0.5877    0.5877 }
 
 ASSIgn ((segid "    " and resid 34   and name HN  ))
        ((segid "    " and resid 35   and name HN  ))
        2.2881    0.5263    0.5263 { previous:     2.2943    0.5277    0.5277 }
 
 ASSIgn ((segid "    " and resid 36   and name HN  ))
        ((segid "    " and resid 37   and name HN  ))
        3.2737    0.7530    0.7530 { previous:     3.3240    0.7645    0.7645 }
 
 ASSIgn ((segid "    " and resid 38   and name HN  ))
        ((segid "    " and resid 39   and name HN  ))
        2.2283    0.5125    0.5125 { previous:     2.2425    0.5158    0.5158 }
 
 ASSIgn ((segid "    " and resid 3    and name HA1 )
      OR (segid "    " and resid 3    and name HA2 ))
        ((segid "    " and resid 4    and name HN  ))
        2.6977    0.6205    0.6205 { previous:     2.7136    0.6241    0.6241 }
 
 ASSIgn ((segid "    " and resid 4    and name HA  ))
        ((segid "    " and resid 5    and name HN  ))
        3.1754    0.7304    0.7304 { previous:     3.1374    0.7216    0.7216 }
 
 ASSIgn ((segid "    " and resid 5    and name HA  ))
        ((segid "    " and resid 6    and name HN  ))
        2.2521    0.5180    0.5180 { previous:     2.2593    0.5196    0.5196 }
 
 ASSIgn ((segid "    " and resid 6    and name HA  ))
        ((segid "    " and resid 7    and name HN  ))
        2.4775    0.5698    0.5698 { previous:     2.4875    0.5721    0.5721 }
 
 ASSIgn ((segid "    " and resid 7    and name HA  ))
        ((segid "    " and resid 8    and name HN  ))
        2.1742    0.4742    0.5001 { previous:     2.1475    0.4475    0.4939 }
 
 ASSIgn ((segid "    " and resid 9    and name HA  ))
        ((segid "    " and resid 10   and name HN  ))
        4.1790    0.9612    0.9612 { previous:     4.0517    0.9319    0.9319 }
 
 ASSIgn ((segid "    " and resid 13   and name HA  ))
        ((segid "    " and resid 14   and name HN  ))
        2.4242    0.5576    0.5576 { previous:     2.4551    0.5647    0.5647 }
 
 ASSIgn ((segid "    " and resid 14   and name HA  ))
        ((segid "    " and resid 15   and name HN  ))
        2.1614    0.4614    0.4971 { previous:     2.1371    0.4371    0.4915 }
 
 ASSIgn ((segid "    " and resid 16   and name HA  ))
        ((segid "    " and resid 17   and name HN  ))
        3.7502    0.8626    0.8626 { previous:     3.7486    0.8622    0.8622 }
 
 ASSIgn ((segid "    " and resid 17   and name HA  ))
        ((segid "    " and resid 18   and name HN  ))
        3.0963    0.7121    0.7121 { previous:     3.0586    0.7035    0.7035 }
 
 ASSIgn ((segid "    " and resid 18   and name HA  ))
        ((segid "    " and resid 19   and name HN  ))
        2.3183    0.5332    0.5332 { previous:     2.3166    0.5328    0.5328 }
 
 ASSIgn ((segid "    " and resid 19   and name HA  ))
        ((segid "    " and resid 20   and name HN  ))
        2.6829    0.6171    0.6171 { previous:     2.6998    0.6210    0.6210 }
 
 ASSIgn ((segid "    " and resid 22   and name HA  ))
        ((segid "    " and resid 23   and name HN  ))
        2.3753    0.5463    0.5463 { previous:     2.3844    0.5484    0.5484 }
 
 ASSIgn ((segid "    " and resid 26   and name HA  ))
        ((segid "    " and resid 27   and name HN  ))
        2.8081    0.6459    0.6459 { previous:     2.9255    0.6729    0.6729 }
 
 ASSIgn ((segid "    " and resid 28   and name HA  ))
        ((segid "    " and resid 29   and name HN  ))
        2.3369    0.5375    0.5375 { previous:     2.3271    0.5352    0.5352 }
 
 ASSIgn ((segid "    " and resid 29   and name HA  ))
        ((segid "    " and resid 30   and name HN  ))
        3.2768    0.7537    0.7537 { previous:     3.2610    0.7500    0.7500 }
 
 ASSIgn ((segid "    " and resid 31   and name HA  ))
        ((segid "    " and resid 32   and name HN  ))
        2.8039    0.6449    0.6449 { previous:     2.8107    0.6465    0.6465 }
 
 ASSIgn ((segid "    " and resid 34   and name HA  ))
        ((segid "    " and resid 35   and name HN  ))
        3.0764    0.7076    0.7076 { previous:     3.1040    0.7139    0.7139 }
 
 ASSIgn ((segid "    " and resid 32   and name HA  ))
        ((segid "    " and resid 36   and name HN  ))
        4.1605    0.9569    0.9569 { previous:     4.1912    0.9640    0.9640 }
 
 ASSIgn ((segid "    " and resid 36   and name HA  ))
        ((segid "    " and resid 37   and name HN  ))
        3.3291    0.7657    0.7657 { previous:     3.3383    0.7678    0.7678 }
 
 ASSIgn ((segid "    " and resid 37   and name HA  ))
        ((segid "    " and resid 38   and name HN  ))
        2.7866    0.6409    0.6409 { previous:     2.7933    0.6425    0.6425 }
 
 ASSIgn ((segid "    " and resid 38   and name HA  ))
        ((segid "    " and resid 39   and name HN  ))
        3.2171    0.7399    0.7399 { previous:     3.2112    0.7386    0.7386 }
 
 ASSIgn ((segid "    " and resid 6    and name HN  ))
        ((segid "    " and resid 19   and name HA  ))
        3.4676    0.7976    0.7976 { previous:     3.4744    0.7991    0.7991 }
 
 ASSIgn ((segid "    " and resid 12   and name HN  ))
        ((segid "    " and resid 9    and name HA  ))
        4.0659    0.9352    0.9352 { previous:     4.0179    0.9241    0.9241 }
 
 ASSIgn ((segid "    " and resid 13   and name HN  ))
        ((segid "    " and resid 9    and name HA  ))
        3.4218    0.7870    0.7870 { previous:     3.3451    0.7694    0.7694 }
 
 ASSIgn ((segid "    " and resid 14   and name HN  ))
        ((segid "    " and resid 9    and name HA  ))
        4.0871    0.9400    0.9400 { previous:     4.1220    0.9481    0.9481 }
 
 ASSIgn ((segid "    " and resid 16   and name HN  ))
        ((segid "    " and resid 14   and name HA  ))
        3.7978    0.8735    0.8735 { previous:     3.8010    0.8742    0.8742 }
 
 ASSIgn ((segid "    " and resid 24   and name HN  ))
        ((segid "    " and resid 22   and name HA  ))
        3.9162    0.9007    0.9007 { previous:     4.0206    0.9247    0.9247 }
 
 ASSIgn ((segid "    " and resid 29   and name HN  ))
        ((segid "    " and resid 18   and name HA  ))
        3.5213    0.8099    0.8099 { previous:     3.5842    0.8244    0.8244 }
 
 ASSIgn ((segid "    " and resid 36   and name HN  ))
        ((segid "    " and resid 33   and name HA  ))
        3.1932    0.7344    0.7344 { previous:     3.2015    0.7363    0.7363 }
 
 ASSIgn ((segid "    " and resid 37   and name HN  ))
        ((segid "    " and resid 34   and name HA  ))
        3.2555    0.7488    0.7488 { previous:     3.1801    0.7314    0.7314 }
 
 ASSIgn ((segid "    " and resid 2    and name HN  ))
        ((segid "    " and resid 1    and name HB1 ))
        4.1688    0.9588    0.9588 { previous:     3.6807    0.8466    0.8466 }
 
 ASSIgn ((segid "    " and resid 6    and name HN  ))
        ((segid "    " and resid 5    and name HB2 ))
        3.5742    0.8221    0.8221 { previous:     3.5515    0.8168    0.8168 }
 
 ASSIgn ((segid "    " and resid 7    and name HN  ))
        ((segid "    " and resid 6    and name HB2 ))
        3.1783    0.7310    0.7310 { previous:     3.1603    0.7269    0.7269 }
 
 ASSIgn ((segid "    " and resid 7    and name HN  ))
        ((segid "    " and resid 6    and name HB1 ))
        3.8782    0.8920    0.8920 { previous:     3.8872    0.8941    0.8941 }
 
 ASSIgn ((segid "    " and resid 10   and name HN  ))
        ((segid "    " and resid 9    and name HB  ))
        3.7968    0.8733    0.8733 { previous:     3.9222    0.9021    0.9021 }
 
 ASSIgn ((segid "    " and resid 12   and name HN  ))
        ((segid "    " and resid 11   and name HB2 ))
        3.7287    0.8576    0.8576 { previous:     3.7523    0.8630    0.8630 }
 
 ASSIgn ((segid "    " and resid 14   and name HN  ))
        ((segid "    " and resid 13   and name HB1 ))
        3.4958    0.8040    0.8040 { previous:     3.5158    0.8086    0.8086 }
 
 ASSIgn ((segid "    " and resid 17   and name HN  ))
        ((segid "    " and resid 16   and name HB2 ))
        2.6584    0.6114    0.6114 { previous:     2.6690    0.6139    0.6139 }
 
 ASSIgn ((segid "    " and resid 17   and name HN  ))
        ((segid "    " and resid 16   and name HB1 ))
        2.1417    0.4417    0.4926 { previous:     2.1493    0.4493    0.4943 }
 
 ASSIgn ((segid "    " and resid 19   and name HN  ))
        ((segid "    " and resid 18   and name HB1 ))
        2.9236    0.6724    0.6724 { previous:     2.9302    0.6739    0.6739 }
 
 ASSIgn ((segid "    " and resid 30   and name HN  ))
        ((segid "    " and resid 29   and name HB2 ))
        3.4696    0.7980    0.7980 { previous:     3.5077    0.8068    0.8068 }
 
 ASSIgn ((segid "    " and resid 31   and name HN  ))
        ((segid "    " and resid 29   and name HB1 ))
        3.0738    0.7070    0.7070 { previous:     3.0595    0.7037    0.7037 }
 
 ASSIgn ((segid "    " and resid 31   and name HN  ))
        ((segid "    " and resid 29   and name HB2 ))
        3.6445    0.8382    0.8382 { previous:     3.7026    0.8516    0.8516 }
 
 ASSIgn ((segid "    " and resid 31   and name HN  ))
        ((segid "    " and resid 34   and name HB  ))
        2.3457    0.5395    0.5395 { previous:     2.3549    0.5416    0.5416 }
 
 ASSIgn ((segid "    " and resid 32   and name HN  ))
        ((segid "    " and resid 31   and name HB2 ))
        4.4743    1.0291    1.0291 { previous:     4.4768    1.0297    1.0297 }
 
 ASSIgn ((segid "    " and resid 35   and name HN  ))
        ((segid "    " and resid 34   and name HB  ))
        2.4671    0.5674    0.5674 { previous:     2.4692    0.5679    0.5679 }
 
 ASSIgn ((segid "    " and resid 37   and name HN  ))
        ((segid "    " and resid 36   and name HB1 )
      OR (segid "    " and resid 36   and name HB2 ))
        2.5362    0.5833    0.5833 { previous:     2.5473    0.5859    0.5859 }
 
 ASSIgn ((segid "    " and resid 38   and name HN  ))
        ((segid "    " and resid 37   and name HB1 )
      OR (segid "    " and resid 37   and name HB2 ))
        2.0363    0.3363    0.4684 { previous:     2.0483    0.3483    0.4711 }
 
 ASSIgn ((segid "    " and resid 39   and name HN  ))
        ((segid "    " and resid 37   and name HB1 )
      OR (segid "    " and resid 37   and name HB2 ))
        3.8192    0.8784    0.8784 { previous:     3.8199    0.8786    0.8786 }
 
 ASSIgn ((segid "    " and resid 8    and name HN  ))
        ((segid "    " and resid 7    and name HG1 ))
        3.5075    0.8067    0.8067 { previous:     3.4048    0.7831    0.7831 }
 
 ASSIgn ((segid "    " and resid 18   and name HA  ))
        ((segid "    " and resid 28   and name HB1 ))
        2.9353    0.6751    0.6751 { previous:     3.0284    0.6965    0.6965 }
 
 ASSIgn ((segid "    " and resid 18   and name HA  ))
        ((segid "    " and resid 28   and name HB2 ))
        4.0357    0.9282    0.9282 { previous:     4.0526    0.9321    0.9321 }
 
 ASSIgn ((segid "    " and resid 37   and name HB1 )
      OR (segid "    " and resid 37   and name HB2 ))
        ((segid "    " and resid 38   and name HD22))
        4.3408    0.9984    0.9984 { previous:     4.3104    0.9914    0.9914 }
 
 ASSIgn ((segid "    " and resid 6    and name HD1 )
      OR (segid "    " and resid 6    and name HD2 ))
        ((segid "    " and resid 7    and name HN  ))
        3.4566    0.7950    0.7950 { previous:     3.4871    0.8020    0.8020 }
 
 ASSIgn ((segid "    " and resid 17   and name HD1 )
      OR (segid "    " and resid 17   and name HD2 ))
        ((segid "    " and resid 32   and name HN  ))
        3.6353    0.8361    0.8361 { previous:     3.6631    0.8425    0.8425 }
 
 ASSIgn ((segid "    " and resid 29   and name HD1 )
      OR (segid "    " and resid 29   and name HD2 ))
        ((segid "    " and resid 30   and name HN  ))
        4.2433    0.9760    0.9760 { previous:     4.1693    0.9589    0.9589 }
 
 ASSIgn ((segid "    " and resid 29   and name HD1 )
      OR (segid "    " and resid 29   and name HD2 ))
        ((segid "    " and resid 31   and name HN  ))
        4.7274    1.0873    1.0873 { previous:     4.6915    1.0790    1.0790 }
 
 ASSIgn ((segid "    " and resid 29   and name HD1 )
      OR (segid "    " and resid 29   and name HD2 ))
        ((segid "    " and resid 35   and name HN  ))
        5.0442    1.1602    1.1602 { previous:     5.1274    1.1793    1.1793 }
 
 ASSIgn ((segid "    " and resid 17   and name HE1 )
      OR (segid "    " and resid 17   and name HE2 ))
        ((segid "    " and resid 7    and name HN  ))
        5.7389    1.3200    1.3200 { previous:     5.6282    1.2945    1.2945 }
 
 ASSIgn ((segid "    " and resid 6    and name HE1 )
      OR (segid "    " and resid 6    and name HE2 ))
        ((segid "    " and resid 10   and name HB1 ))
        2.9124    0.6699    0.6699 { previous:     2.9045    0.6680    0.6680 }
 
 ASSIgn ((segid "    " and resid 6    and name HE1 )
      OR (segid "    " and resid 6    and name HE2 ))
        ((segid "    " and resid 10   and name HB2 ))
        3.3190    0.7634    0.7634 { previous:     3.2296    0.7428    0.7428 }
 
 ASSIgn ((segid "    " and resid 6    and name HE1 )
      OR (segid "    " and resid 6    and name HE2 ))
        ((segid "    " and resid 19   and name HA  ))
        4.3892    1.0095    1.0095 { previous:     4.2608    0.9800    0.9800 }
 
 ASSIgn ((segid "    " and resid 17   and name HE1 )
      OR (segid "    " and resid 17   and name HE2 ))
        ((segid "    " and resid 7    and name HB1 ))
        4.2791    0.9842    0.9842 { previous:     4.1802    0.9615    0.9615 }
 
 ASSIgn ((segid "    " and resid 17   and name HE1 )
      OR (segid "    " and resid 17   and name HE2 ))
        ((segid "    " and resid 32   and name HD1 )
      OR (segid "    " and resid 32   and name HD2 ))
        5.6158    1.2916    1.2916 { previous:     5.4349    1.2500    1.2500 }
 
 ASSIgn ((segid "    " and resid 17   and name HE1 )
      OR (segid "    " and resid 17   and name HE2 ))
        ((segid "    " and resid 32   and name HE1 )
      OR (segid "    " and resid 32   and name HE2 ))
        4.3475    0.9999    0.9999 { previous:     4.3932    1.0104    1.0104 }
 
 ASSIgn ((segid "    " and resid 29   and name HE1 )
      OR (segid "    " and resid 29   and name HE2 ))
        ((segid "    " and resid 34   and name HA  ))
        5.3616    1.2332    1.2332 { previous:     5.5245    1.2706    1.2706 }
 
 ASSIgn ((segid "    " and resid 2    and name HN  ))
        ((segid "    " and resid 2    and name HB2 ))
        2.5957    0.5970    0.5970 { previous:     2.5050    0.5762    0.5762 }
 
 ASSIgn ((segid "    " and resid 4    and name HN  ))
        ((segid "    " and resid 4    and name HB2 ))
        2.7060    0.6224    0.6224 { previous:     2.7439    0.6311    0.6311 }
 
 ASSIgn ((segid "    " and resid 5    and name HN  ))
        ((segid "    " and resid 5    and name HB1 ))
        3.1761    0.7305    0.7305 { previous:     3.2009    0.7362    0.7362 }
 
 ASSIgn ((segid "    " and resid 6    and name HN  ))
        ((segid "    " and resid 6    and name HD1 )
      OR (segid "    " and resid 6    and name HD2 ))
        3.0684    0.7057    0.7057 { previous:     3.0527    0.7021    0.7021 }
 
 ASSIgn ((segid "    " and resid 7    and name HN  ))
        ((segid "    " and resid 7    and name HA  ))
        3.4134    0.7851    0.7851 { previous:     3.4313    0.7892    0.7892 }
 
 ASSIgn ((segid "    " and resid 7    and name HN  ))
        ((segid "    " and resid 7    and name HB1 ))
        2.5186    0.5793    0.5793 { previous:     2.5149    0.5784    0.5784 }
 
 ASSIgn ((segid "    " and resid 7    and name HN  ))
        ((segid "    " and resid 7    and name HB2 ))
        3.5855    0.8247    0.8247 { previous:     3.6038    0.8289    0.8289 }
 
 ASSIgn ((segid "    " and resid 7    and name HN  ))
        ((segid "    " and resid 7    and name HG2 ))
        2.5013    0.5753    0.5753 { previous:     2.4965    0.5742    0.5742 }
 
 ASSIgn ((segid "    " and resid 7    and name HB2 ))
        ((segid "    " and resid 7    and name HG1 ))
        1.8898    0.1898    0.4346 { previous:     1.9049    0.2049    0.4381 }
 
 ASSIgn ((segid "    " and resid 8    and name HN  ))
        ((segid "    " and resid 8    and name HA1 ))
        3.0836    0.7092    0.7092 { previous:     2.9476    0.6779    0.6779 }
 
 ASSIgn ((segid "    " and resid 8    and name HN  ))
        ((segid "    " and resid 8    and name HA2 ))
        2.3988    0.5517    0.5517 { previous:     2.2907    0.5269    0.5269 }
 
 ASSIgn ((segid "    " and resid 8    and name HA1 ))
        ((segid "    " and resid 8    and name HA2 ))
        1.7812    0.0812    0.4097 { previous:     1.7793    0.0793    0.4092 }
 
 ASSIgn ((segid "    " and resid 9    and name HN  ))
        ((segid "    " and resid 9    and name HA  ))
        2.7015    0.6213    0.6213 { previous:     2.6607    0.6120    0.6120 }
 
 ASSIgn ((segid "    " and resid 9    and name HN  ))
        ((segid "    " and resid 9    and name HB  ))
        2.3433    0.5390    0.5390 { previous:     2.4018    0.5524    0.5524 }
 
 ASSIgn ((segid "    " and resid 10   and name HN  ))
        ((segid "    " and resid 10   and name HA  ))
        3.3228    0.7643    0.7643 { previous:     3.3921    0.7802    0.7802 }
 
 ASSIgn ((segid "    " and resid 10   and name HN  ))
        ((segid "    " and resid 10   and name HB1 ))
        2.5564    0.5880    0.5880 { previous:     2.6540    0.6104    0.6104 }
 
 ASSIgn ((segid "    " and resid 10   and name HN  ))
        ((segid "    " and resid 10   and name HB2 ))
        2.2776    0.5239    0.5239 { previous:     2.3479    0.5400    0.5400 }
 
 ASSIgn ((segid "    " and resid 10   and name HD22))
        ((segid "    " and resid 10   and name HD21))
        1.9403    0.2403    0.4463 { previous:     1.9468    0.2468    0.4478 }
 
 ASSIgn ((segid "    " and resid 11   and name HN  ))
        ((segid "    " and resid 11   and name HB2 ))
        2.2402    0.5152    0.5152 { previous:     2.2676    0.5216    0.5216 }
 
 ASSIgn ((segid "    " and resid 11   and name HN  ))
        ((segid "    " and resid 11   and name HB1 ))
        3.8730    0.8908    0.8908 { previous:     3.9012    0.8973    0.8973 }
 
 ASSIgn ((segid "    " and resid 12   and name HN  ))
        ((segid "    " and resid 12   and name HA1 ))
        3.0027    0.6906    0.6906 { previous:     3.0108    0.6925    0.6925 }
 
 ASSIgn ((segid "    " and resid 12   and name HN  ))
        ((segid "    " and resid 12   and name HA2 ))
        2.2769    0.5237    0.5237 { previous:     2.2830    0.5251    0.5251 }
 
 ASSIgn ((segid "    " and resid 13   and name HN  ))
        ((segid "    " and resid 13   and name HB1 ))
        2.2885    0.5263    0.5263 { previous:     2.3363    0.5373    0.5373 }
 
 ASSIgn ((segid "    " and resid 13   and name HN  ))
        ((segid "    " and resid 13   and name HG1 )
      OR (segid "    " and resid 13   and name HG2 ))
        2.5829    0.5941    0.5941 { previous:     2.5900    0.5957    0.5957 }
 
 ASSIgn ((segid "    " and resid 14   and name HN  ))
        ((segid "    " and resid 14   and name HA  ))
        2.9418    0.6766    0.6766 { previous:     2.9262    0.6730    0.6730 }
 
 ASSIgn ((segid "    " and resid 14   and name HN  ))
        ((segid "    " and resid 14   and name HB  ))
        2.1648    0.4648    0.4979 { previous:     2.1720    0.4720    0.4995 }
 
 ASSIgn ((segid "    " and resid 20   and name HN  ))
        ((segid "    " and resid 20   and name HB1 ))
        4.1793    0.9612    0.9612 { previous:     4.1375    0.9516    0.9516 }
 
 ASSIgn ((segid "    " and resid 15   and name HN  ))
        ((segid "    " and resid 15   and name HA2 ))
        2.6236    0.6034    0.6034 { previous:     2.6294    0.6048    0.6048 }
 
 ASSIgn ((segid "    " and resid 16   and name HN  ))
        ((segid "    " and resid 16   and name HB1 ))
        3.8560    0.8869    0.8869 { previous:     3.8474    0.8849    0.8849 }
 
 ASSIgn ((segid "    " and resid 16   and name HN  ))
        ((segid "    " and resid 16   and name HB2 ))
        2.5666    0.5903    0.5903 { previous:     2.5969    0.5973    0.5973 }
 
 ASSIgn ((segid "    " and resid 16   and name HN  ))
        ((segid "    " and resid 16   and name HG1 ))
        2.8399    0.6532    0.6532 { previous:     2.8814    0.6627    0.6627 }
 
 ASSIgn ((segid "    " and resid 16   and name HN  ))
        ((segid "    " and resid 16   and name HG2 ))
        3.9793    0.9152    0.9152 { previous:     3.8459    0.8846    0.8846 }
 
 ASSIgn ((segid "    " and resid 17   and name HN  ))
        ((segid "    " and resid 17   and name HB2 ))
        2.7673    0.6365    0.6365 { previous:     2.8194    0.6485    0.6485 }
 
 ASSIgn ((segid "    " and resid 17   and name HN  ))
        ((segid "    " and resid 17   and name HB1 ))
        3.7379    0.8597    0.8597 { previous:     3.7402    0.8602    0.8602 }
 
 ASSIgn ((segid "    " and resid 17   and name HN  ))
        ((segid "    " and resid 17   and name HD1 )
      OR (segid "    " and resid 17   and name HD2 ))
        3.1087    0.7150    0.7150 { previous:     3.0816    0.7088    0.7088 }
 
 ASSIgn ((segid "    " and resid 19   and name HN  ))
        ((segid "    " and resid 19   and name HB1 ))
        3.2593    0.7496    0.7496 { previous:     3.2486    0.7472    0.7472 }
 
 ASSIgn ((segid "    " and resid 20   and name HN  ))
        ((segid "    " and resid 20   and name HB2 ))
        5.0691    1.1659    1.1659 { previous:     5.1391    1.1820    1.1820 }
 
 ASSIgn ((segid "    " and resid 22   and name HN  ))
        ((segid "    " and resid 22   and name HB  ))
        2.8315    0.6512    0.6512 { previous:     2.5346    0.5829    0.5829 }
 
 ASSIgn ((segid "    " and resid 23   and name HN  ))
        ((segid "    " and resid 23   and name HA2 ))
        3.1508    0.7247    0.7247 { previous:     2.6225    0.6032    0.6032 }
 
 ASSIgn ((segid "    " and resid 23   and name HN  ))
        ((segid "    " and resid 23   and name HA1 ))
        2.5513    0.5868    0.5868 { previous:     3.1364    0.7214    0.7214 }
 
 ASSIgn ((segid "    " and resid 24   and name HN  ))
        ((segid "    " and resid 24   and name HB2 ))
        3.8617    0.8882    0.8882 { previous:     3.7554    0.8637    0.8637 }
 
 ASSIgn ((segid "    " and resid 24   and name HN  ))
        ((segid "    " and resid 24   and name HB1 ))
        2.6305    0.6050    0.6050 { previous:     2.6311    0.6052    0.6052 }
 
 ASSIgn ((segid "    " and resid 24   and name HN  ))
        ((segid "    " and resid 24   and name HD1 )
      OR (segid "    " and resid 24   and name HD2 ))
        3.8910    0.8949    0.8949 { previous:     3.8794    0.8923    0.8923 }
 
 ASSIgn ((segid "    " and resid 25   and name HN  ))
        ((segid "    " and resid 25   and name HE1 )
      OR (segid "    " and resid 25   and name HE2 ))
        5.8574    1.3472    1.3472 { previous:     5.6901    1.3087    1.3087 }
 
 ASSIgn ((segid "    " and resid 25   and name HE1 )
      OR (segid "    " and resid 25   and name HE2 ))
        ((segid "    " and resid 25   and name HB1 )
      OR (segid "    " and resid 25   and name HB2 ))
        6.5336    1.5027    1.5027 { previous:     6.5271    1.5012    1.5012 }
 
 ASSIgn ((segid "    " and resid 27   and name HN  ))
        ((segid "    " and resid 27   and name HB  ))
        2.4863    0.5718    0.5718 { previous:     2.5122    0.5778    0.5778 }
 
 ASSIgn ((segid "    " and resid 28   and name HN  ))
        ((segid "    " and resid 28   and name HB2 ))
        2.5086    0.5770    0.5770 { previous:     2.4891    0.5725    0.5725 }
 
 ASSIgn ((segid "    " and resid 28   and name HN  ))
        ((segid "    " and resid 28   and name HB1 ))
        3.6552    0.8407    0.8407 { previous:     3.6479    0.8390    0.8390 }
 
 ASSIgn ((segid "    " and resid 29   and name HN  ))
        ((segid "    " and resid 29   and name HB1 ))
        3.3031    0.7597    0.7597 { previous:     3.2997    0.7589    0.7589 }
 
 ASSIgn ((segid "    " and resid 29   and name HN  ))
        ((segid "    " and resid 29   and name HD1 )
      OR (segid "    " and resid 29   and name HD2 ))
        3.0033    0.6908    0.6908 { previous:     3.0264    0.6961    0.6961 }
 
 ASSIgn ((segid "    " and resid 30   and name HN  ))
        ((segid "    " and resid 30   and name HA  ))
        2.8983    0.6666    0.6666 { previous:     2.9393    0.6760    0.6760 }
 
 ASSIgn ((segid "    " and resid 30   and name HN  ))
        ((segid "    " and resid 30   and name HB1 ))
        2.2878    0.5262    0.5262 { previous:     2.2911    0.5269    0.5269 }
 
 ASSIgn ((segid "    " and resid 30   and name HN  ))
        ((segid "    " and resid 30   and name HB2 ))
        3.8345    0.8819    0.8819 { previous:     3.8116    0.8767    0.8767 }
 
 ASSIgn ((segid "    " and resid 31   and name HN  ))
        ((segid "    " and resid 31   and name HA  ))
        3.8522    0.8860    0.8860 { previous:     3.8629    0.8885    0.8885 }
 
 ASSIgn ((segid "    " and resid 31   and name HN  ))
        ((segid "    " and resid 31   and name HB2 ))
        2.8592    0.6576    0.6576 { previous:     2.8608    0.6580    0.6580 }
 
 ASSIgn ((segid "    " and resid 32   and name HN  ))
        ((segid "    " and resid 32   and name HA  ))
        2.9219    0.6720    0.6720 { previous:     2.9226    0.6722    0.6722 }
 
 ASSIgn ((segid "    " and resid 32   and name HN  ))
        ((segid "    " and resid 32   and name HB2 ))
        3.6869    0.8480    0.8480 { previous:     3.6922    0.8492    0.8492 }
 
 ASSIgn ((segid "    " and resid 32   and name HN  ))
        ((segid "    " and resid 32   and name HB1 ))
        2.1012    0.4012    0.4833 { previous:     2.0981    0.3981    0.4826 }
 
 ASSIgn ((segid "    " and resid 32   and name HN  ))
        ((segid "    " and resid 32   and name HG2 ))
        3.0358    0.6982    0.6982 { previous:     3.0111    0.6925    0.6925 }
 
 ASSIgn ((segid "    " and resid 32   and name HG1 ))
        ((segid "    " and resid 32   and name HD1 )
      OR (segid "    " and resid 32   and name HD2 ))
        2.9010    0.6672    0.6672 { previous:     2.9294    0.6738    0.6738 }
 
 ASSIgn ((segid "    " and resid 33   and name HN  ))
        ((segid "    " and resid 33   and name HA  ))
        2.4721    0.5686    0.5686 { previous:     2.4756    0.5694    0.5694 }
 
 ASSIgn ((segid "    " and resid 34   and name HN  ))
        ((segid "    " and resid 34   and name HA  ))
        2.3987    0.5517    0.5517 { previous:     2.4169    0.5559    0.5559 }
 
 ASSIgn ((segid "    " and resid 34   and name HN  ))
        ((segid "    " and resid 34   and name HB  ))
        1.7886    0.0886    0.4114 { previous:     1.7919    0.0919    0.4121 }
 
 ASSIgn ((segid "    " and resid 34   and name HN  ))
        ((segid "    " and resid 34   and name HG11)
      OR (segid "    " and resid 34   and name HG12))
        2.5199    0.5796    0.5796 { previous:     2.5110    0.5775    0.5775 }
 
 ASSIgn ((segid "    " and resid 35   and name HN  ))
        ((segid "    " and resid 35   and name HB1 ))
        2.8638    0.6587    0.6587 { previous:     2.9209    0.6718    0.6718 }
 
 ASSIgn ((segid "    " and resid 35   and name HN  ))
        ((segid "    " and resid 35   and name HB2 ))
        2.6560    0.6109    0.6109 { previous:     2.5834    0.5942    0.5942 }
 
 ASSIgn ((segid "    " and resid 36   and name HN  ))
        ((segid "    " and resid 36   and name HA  ))
        3.4021    0.7825    0.7825 { previous:     3.3620    0.7732    0.7732 }
 
 ASSIgn ((segid "    " and resid 36   and name HN  ))
        ((segid "    " and resid 36   and name HB1 )
      OR (segid "    " and resid 36   and name HB2 ))
        2.9436    0.6770    0.6770 { previous:     2.9815    0.6858    0.6858 }
 
 ASSIgn ((segid "    " and resid 36   and name HD21))
        ((segid "    " and resid 36   and name HB1 )
      OR (segid "    " and resid 36   and name HB2 ))
        2.5796    0.5933    0.5933 { previous:     2.5419    0.5846    0.5846 }
 
 ASSIgn ((segid "    " and resid 38   and name HN  ))
        ((segid "    " and resid 38   and name HB2 ))
        1.7926    0.0926    0.4123 { previous:     1.7934    0.0934    0.4125 }
 
 ASSIgn ((segid "    " and resid 38   and name HN  ))
        ((segid "    " and resid 38   and name HB1 ))
        3.2607    0.7500    0.7500 { previous:     3.2454    0.7464    0.7464 }
 
 ASSIgn ((segid "    " and resid 38   and name HN  ))
        ((segid "    " and resid 38   and name HD21))
        2.0147    0.3147    0.4634 { previous:     2.0115    0.3115    0.4626 }
 
 ASSIgn ((segid "    " and resid 39   and name HN  ))
        ((segid "    " and resid 39   and name HA  ))
        2.5566    0.5880    0.5880 { previous:     2.6520    0.6100    0.6100 }
 
 ASSIgn ((segid "    " and resid 39   and name HN  ))
        ((segid "    " and resid 39   and name HB2 ))
        2.2727    0.5227    0.5227 { previous:     2.2872    0.5261    0.5261 }
 
 ASSIgn ((segid "    " and resid 39   and name HN  ))
        ((segid "    " and resid 39   and name HB1 ))
        3.9540    0.9094    0.9094 { previous:     4.0251    0.9258    0.9258 }
 
 ASSIgn ((segid "    " and resid 40   and name HN  ))
        ((segid "    " and resid 40   and name HB  ))
        3.6380    0.8367    0.8367 { previous:     3.6618    0.8422    0.8422 }
 
 ASSIgn ((segid "    " and resid 6    and name HN  ))
        ((segid "    " and resid 18   and name HN  ))
        2.8899    0.6647    0.6647 { previous:     2.7878    0.6412    0.6412 }
 
 ASSIgn ((segid "    " and resid 7    and name HN  ))
        ((segid "    " and resid 8    and name HN  ))
        4.6156    1.0616    1.0616 { previous:     4.4914    1.0330    1.0330 }
 
 ASSIgn ((segid "    " and resid 14   and name HN  ))
        ((segid "    " and resid 15   and name HN  ))
        4.7462    1.0916    1.0916 { previous:     4.7408    1.0904    1.0904 }
 
 ASSIgn ((segid "    " and resid 17   and name HN  ))
        ((segid "    " and resid 29   and name HN  ))
        2.8789    0.6621    0.6621 { previous:     2.8683    0.6597    0.6597 }
 
 ASSIgn ((segid "    " and resid 24   and name HN  ))
        ((segid "    " and resid 26   and name HN  ))
        4.0455    0.9305    0.9305 { previous:     4.1048    0.9441    0.9441 }
 
 ASSIgn ((segid "    " and resid 2    and name HN  ))
        ((segid "    " and resid 3    and name HN  ))
        4.4969    1.0343    1.0343 { previous:     4.2147    0.9694    0.9694 }
 
 ASSIgn ((segid "    " and resid 22   and name HN  ))
        ((segid "    " and resid 25   and name HN  ))
        4.1126    0.9459    0.9459 { previous:     4.3464    0.9997    0.9997 }
 
 ASSIgn ((segid "    " and resid 29   and name HN  ))
        ((segid "    " and resid 30   and name HN  ))
        3.9053    0.8982    0.8982 { previous:     3.8895    0.8946    0.8946 }
 
 ASSIgn ((segid "    " and resid 31   and name HN  ))
        ((segid "    " and resid 32   and name HN  ))
        4.8831    1.1231    1.1231 { previous:     4.8529    1.1162    1.1162 }
 
 ASSIgn ((segid "    " and resid 35   and name HN  ))
        ((segid "    " and resid 36   and name HN  ))
        3.7285    0.8576    0.8576 { previous:     3.6711    0.8444    0.8444 }
 
 ASSIgn ((segid "    " and resid 35   and name HN  ))
        ((segid "    " and resid 37   and name HN  ))
        3.5574    0.8182    0.8182 { previous:     3.5928    0.8263    0.8263 }
 
 ASSIgn ((segid "    " and resid 35   and name HN  ))
        ((segid "    " and resid 39   and name HN  ))
        4.0369    0.9285    0.9285 { previous:     4.0610    0.9340    0.9340 }
 
 ASSIgn ((segid "    " and resid 39   and name HN  ))
        ((segid "    " and resid 40   and name HN  ))
        3.1209    0.7178    0.7178 { previous:     3.1254    0.7188    0.7188 }
 
 ASSIgn ((segid "    " and resid 10   and name HA  ))
        ((segid "    " and resid 11   and name HN  ))
        2.9167    0.6708    0.6708 { previous:     2.9325    0.6745    0.6745 }
 
 ASSIgn ((segid "    " and resid 12   and name HA1 ))
        ((segid "    " and resid 13   and name HN  ))
        3.4353    0.7901    0.7901 { previous:     3.4248    0.7877    0.7877 }
 
 ASSIgn ((segid "    " and resid 12   and name HA2 ))
        ((segid "    " and resid 13   and name HN  ))
        3.3567    0.7720    0.7720 { previous:     3.3736    0.7759    0.7759 }
 
 ASSIgn ((segid "    " and resid 15   and name HA1 ))
        ((segid "    " and resid 16   and name HN  ))
        3.1398    0.7222    0.7222 { previous:     3.1658    0.7281    0.7281 }
 
 ASSIgn ((segid "    " and resid 15   and name HA2 ))
        ((segid "    " and resid 16   and name HN  ))
        3.6866    0.8479    0.8479 { previous:     3.7103    0.8534    0.8534 }
 
 ASSIgn ((segid "    " and resid 21   and name HA  ))
        ((segid "    " and resid 22   and name HN  ))
        2.8610    0.6580    0.6580 { previous:     3.0560    0.7029    0.7029 }
 
 ASSIgn ((segid "    " and resid 23   and name HA2 ))
        ((segid "    " and resid 24   and name HN  ))
        3.0122    0.6928    0.6928 { previous:     2.9318    0.6743    0.6743 }
 
 ASSIgn ((segid "    " and resid 23   and name HA1 ))
        ((segid "    " and resid 24   and name HN  ))
        3.3643    0.7738    0.7738 { previous:     3.3959    0.7810    0.7810 }
 
 ASSIgn ((segid "    " and resid 30   and name HA  ))
        ((segid "    " and resid 31   and name HN  ))
        2.8106    0.6464    0.6464 { previous:     2.8441    0.6542    0.6542 }
 
 ASSIgn ((segid "    " and resid 32   and name HA  ))
        ((segid "    " and resid 33   and name HN  ))
        4.4443    1.0222    1.0222 { previous:     4.4521    1.0240    1.0240 }
 
 ASSIgn ((segid "    " and resid 33   and name HA  ))
        ((segid "    " and resid 34   and name HN  ))
        4.0377    0.9287    0.9287 { previous:     4.0626    0.9344    0.9344 }
 
 ASSIgn ((segid "    " and resid 11   and name HN  ))
        ((segid "    " and resid 9    and name HA  ))
        3.8603    0.8879    0.8879 { previous:     3.7842    0.8704    0.8704 }
 
 ASSIgn ((segid "    " and resid 12   and name HN  ))
        ((segid "    " and resid 10   and name HA  ))
        3.1319    0.7203    0.7203 { previous:     3.1341    0.7208    0.7208 }
 
 ASSIgn ((segid "    " and resid 16   and name HN  ))
        ((segid "    " and resid 13   and name HA  ))
        3.5830    0.8241    0.8241 { previous:     3.5633    0.8196    0.8196 }
 
 ASSIgn ((segid "    " and resid 17   and name HN  ))
        ((segid "    " and resid 30   and name HA  ))
        3.6708    0.8443    0.8443 { previous:     3.6577    0.8413    0.8413 }
 
 ASSIgn ((segid "    " and resid 18   and name HN  ))
        ((segid "    " and resid 7    and name HA  ))
        3.5499    0.8165    0.8165 { previous:     3.8849    0.8935    0.8935 }
 
 ASSIgn ((segid "    " and resid 19   and name HN  ))
        ((segid "    " and resid 28   and name HA  ))
        3.4509    0.7937    0.7937 { previous:     3.5660    0.8202    0.8202 }
 
 ASSIgn ((segid "    " and resid 33   and name HN  ))
        ((segid "    " and resid 31   and name HA  ))
        4.0742    0.9371    0.9371 { previous:     4.0631    0.9345    0.9345 }
 
 ASSIgn ((segid "    " and resid 34   and name HN  ))
        ((segid "    " and resid 31   and name HA  ))
        2.9835    0.6862    0.6862 { previous:     2.9892    0.6875    0.6875 }
 
 ASSIgn ((segid "    " and resid 39   and name HN  ))
        ((segid "    " and resid 36   and name HA  ))
        4.5385    1.0439    1.0439 { previous:     4.5350    1.0431    1.0431 }
 
 ASSIgn ((segid "    " and resid 40   and name HN  ))
        ((segid "    " and resid 38   and name HA  ))
        3.6328    0.8355    0.8355 { previous:     3.6249    0.8337    0.8337 }
 
 ASSIgn ((segid "    " and resid 8    and name HN  ))
        ((segid "    " and resid 7    and name HB1 ))
        4.7162    1.0847    1.0847 { previous:     4.5979    1.0575    1.0575 }
 
 ASSIgn ((segid "    " and resid 8    and name HN  ))
        ((segid "    " and resid 17   and name HB1 ))
        3.7110    0.8535    0.8535 { previous:     3.9784    0.9150    0.9150 }
 
 ASSIgn ((segid "    " and resid 11   and name HN  ))
        ((segid "    " and resid 9    and name HB  ))
        4.3564    1.0020    1.0020 { previous:     4.4212    1.0169    1.0169 }
 
 ASSIgn ((segid "    " and resid 13   and name HN  ))
        ((segid "    " and resid 11   and name HB2 ))
        3.2882    0.7563    0.7563 { previous:     3.2885    0.7564    0.7564 }
 
 ASSIgn ((segid "    " and resid 15   and name HN  ))
        ((segid "    " and resid 14   and name HB  ))
        5.0247    1.1557    1.1557 { previous:     4.9875    1.1471    1.1471 }
 
 ASSIgn ((segid "    " and resid 18   and name HN  ))
        ((segid "    " and resid 17   and name HB1 ))
        2.7824    0.6399    0.6399 { previous:     2.7287    0.6276    0.6276 }
 
 ASSIgn ((segid "    " and resid 29   and name HN  ))
        ((segid "    " and resid 28   and name HB2 ))
        3.9714    0.9134    0.9134 { previous:     3.9393    0.9060    0.9060 }
 
 ASSIgn ((segid "    " and resid 29   and name HN  ))
        ((segid "    " and resid 28   and name HB1 ))
        2.6050    0.5991    0.5991 { previous:     2.5920    0.5962    0.5962 }
 
 ASSIgn ((segid "    " and resid 31   and name HN  ))
        ((segid "    " and resid 30   and name HB1 ))
        3.8880    0.8942    0.8942 { previous:     3.8772    0.8917    0.8917 }
 
 ASSIgn ((segid "    " and resid 31   and name HN  ))
        ((segid "    " and resid 30   and name HB2 ))
        3.8038    0.8749    0.8749 { previous:     3.7685    0.8668    0.8668 }
 
 ASSIgn ((segid "    " and resid 33   and name HN  ))
        ((segid "    " and resid 31   and name HB1 ))
        3.6437    0.8381    0.8381 { previous:     3.6415    0.8376    0.8376 }
 
 ASSIgn ((segid "    " and resid 33   and name HN  ))
        ((segid "    " and resid 32   and name HB2 ))
        4.6385    1.0668    1.0668 { previous:     4.6585    1.0714    1.0714 }
 
 ASSIgn ((segid "    " and resid 34   and name HN  ))
        ((segid "    " and resid 31   and name HB1 ))
        3.0321    0.6974    0.6974 { previous:     3.0333    0.6977    0.6977 }
 
 ASSIgn ((segid "    " and resid 39   and name HN  ))
        ((segid "    " and resid 38   and name HB1 ))
        3.3104    0.7614    0.7614 { previous:     3.2941    0.7576    0.7576 }
 
 ASSIgn ((segid "    " and resid 39   and name HN  ))
        ((segid "    " and resid 37   and name HD1 )
      OR (segid "    " and resid 37   and name HD2 ))
        4.2489    0.9773    0.9773 { previous:     4.2240    0.9715    0.9715 }
 
 ASSIgn ((segid "    " and resid 17   and name HD1 )
      OR (segid "    " and resid 17   and name HD2 ))
        ((segid "    " and resid 7    and name HN  ))
        6.3164    1.4528    1.4528 { previous:     6.2737    1.4430    1.4430 }
 
 ASSIgn ((segid "    " and resid 17   and name HD1 )
      OR (segid "    " and resid 17   and name HD2 ))
        ((segid "    " and resid 18   and name HN  ))
        4.9770    1.1447    1.1447 { previous:     5.0171    1.1539    1.1539 }
 
 ASSIgn ((segid "    " and resid 29   and name HD1 )
      OR (segid "    " and resid 29   and name HD2 ))
        ((segid "    " and resid 17   and name HN  ))
        5.2522    1.2080    1.2080 { previous:     5.2950    1.2178    1.2178 }
 
 ASSIgn ((segid "    " and resid 6    and name HE1 )
      OR (segid "    " and resid 6    and name HE2 ))
        ((segid "    " and resid 7    and name HN  ))
        5.5922    1.2862    1.2862 { previous:     5.5489    1.2762    1.2762 }
 
 ASSIgn ((segid "    " and resid 17   and name HE1 )
      OR (segid "    " and resid 17   and name HE2 ))
        ((segid "    " and resid 8    and name HN  ))
        4.9423    1.1367    1.1367 { previous:     4.9270    1.1332    1.1332 }
 
 ASSIgn ((segid "    " and resid 17   and name HE1 )
      OR (segid "    " and resid 17   and name HE2 ))
        ((segid "    " and resid 32   and name HN  ))
        3.8321    0.8814    0.8814 { previous:     3.7745    0.8681    0.8681 }
 
 ASSIgn ((segid "    " and resid 4    and name HN  ))
        ((segid "    " and resid 4    and name HA  ))
        2.9481    0.6781    0.6781 { previous:     2.9432    0.6769    0.6769 }
 
 ASSIgn ((segid "    " and resid 5    and name HN  ))
        ((segid "    " and resid 5    and name HA  ))
        4.0346    0.9280    0.9280 { previous:     4.0264    0.9261    0.9261 }
 
 ASSIgn ((segid "    " and resid 6    and name HN  ))
        ((segid "    " and resid 6    and name HB2 ))
        3.9796    0.9153    0.9153 { previous:     3.9830    0.9161    0.9161 }
 
 ASSIgn ((segid "    " and resid 6    and name HN  ))
        ((segid "    " and resid 6    and name HB1 ))
        3.2838    0.7553    0.7553 { previous:     3.2802    0.7544    0.7544 }
 
 ASSIgn ((segid "    " and resid 6    and name HN  ))
        ((segid "    " and resid 6    and name HE1 )
      OR (segid "    " and resid 6    and name HE2 ))
        5.0825    1.1690    1.1690 { previous:     5.0346    1.1580    1.1580 }
 
 ASSIgn ((segid "    " and resid 10   and name HD21))
        ((segid "    " and resid 10   and name HB1 ))
        2.5723    0.5916    0.5916 { previous:     2.6328    0.6055    0.6055 }
 
 ASSIgn ((segid "    " and resid 10   and name HD21))
        ((segid "    " and resid 10   and name HB2 ))
        3.8868    0.8940    0.8940 { previous:     3.9601    0.9108    0.9108 }
 
 ASSIgn ((segid "    " and resid 25   and name HN  ))
        ((segid "    " and resid 25   and name HA  ))
        3.1696    0.7290    0.7290 { previous:     3.1153    0.7165    0.7165 }
 
 ASSIgn ((segid "    " and resid 13   and name HN  ))
        ((segid "    " and resid 13   and name HA  ))
        2.5810    0.5936    0.5936 { previous:     2.6106    0.6004    0.6004 }
 
 ASSIgn ((segid "    " and resid 13   and name HN  ))
        ((segid "    " and resid 13   and name HD1 )
      OR (segid "    " and resid 13   and name HD2 ))
        3.4662    0.7972    0.7972 { previous:     3.3887    0.7794    0.7794 }
 
 ASSIgn ((segid "    " and resid 16   and name HN  ))
        ((segid "    " and resid 16   and name HD1 )
      OR (segid "    " and resid 16   and name HD2 ))
        5.8172    1.3380    1.3380 { previous:     5.8177    1.3381    1.3381 }
 
 ASSIgn ((segid "    " and resid 18   and name HN  ))
        ((segid "    " and resid 18   and name HA  ))
        3.0960    0.7121    0.7121 { previous:     3.0117    0.6927    0.6927 }
 
 ASSIgn ((segid "    " and resid 18   and name HN  ))
        ((segid "    " and resid 18   and name HB2 ))
        2.5530    0.5872    0.5872 { previous:     2.5371    0.5835    0.5835 }
 
 ASSIgn ((segid "    " and resid 18   and name HN  ))
        ((segid "    " and resid 18   and name HB1 ))
        3.8343    0.8819    0.8819 { previous:     3.7930    0.8724    0.8724 }
 
 ASSIgn ((segid "    " and resid 19   and name HN  ))
        ((segid "    " and resid 19   and name HB2 ))
        3.7821    0.8699    0.8699 { previous:     3.7960    0.8731    0.8731 }
 
 ASSIgn ((segid "    " and resid 22   and name HN  ))
        ((segid "    " and resid 22   and name HA  ))
        3.6544    0.8405    0.8405 { previous:     3.5083    0.8069    0.8069 }
 
 ASSIgn ((segid "    " and resid 24   and name HN  ))
        ((segid "    " and resid 24   and name HA  ))
        2.4995    0.5749    0.5749 { previous:     2.4752    0.5693    0.5693 }
 
 ASSIgn ((segid "    " and resid 24   and name HN  ))
        ((segid "    " and resid 24   and name HG1 )
      OR (segid "    " and resid 24   and name HG2 ))
        2.3279    0.5354    0.5354 { previous:     2.1329    0.4329    0.4906 }
 
 ASSIgn ((segid "    " and resid 25   and name HD1 )
      OR (segid "    " and resid 25   and name HD2 ))
        ((segid "    " and resid 25   and name HB1 )
      OR (segid "    " and resid 25   and name HB2 ))
        2.4346    0.5599    0.5599 { previous:     2.4772    0.5698    0.5698 }
 
 ASSIgn ((segid "    " and resid 26   and name HN  ))
        ((segid "    " and resid 26   and name HB1 ))
        3.7639    0.8657    0.8657 { previous:     3.8856    0.8937    0.8937 }
 
 ASSIgn ((segid "    " and resid 28   and name HN  ))
        ((segid "    " and resid 28   and name HA  ))
        3.2053    0.7372    0.7372 { previous:     3.2005    0.7361    0.7361 }
 
 ASSIgn ((segid "    " and resid 29   and name HN  ))
        ((segid "    " and resid 29   and name HB2 ))
        2.7970    0.6433    0.6433 { previous:     2.7796    0.6393    0.6393 }
 
 ASSIgn ((segid "    " and resid 29   and name HN  ))
        ((segid "    " and resid 29   and name HE1 )
      OR (segid "    " and resid 29   and name HE2 ))
        4.8406    1.1133    1.1133 { previous:     4.8225    1.1092    1.1092 }
 
 ASSIgn ((segid "    " and resid 31   and name HN  ))
        ((segid "    " and resid 31   and name HB1 ))
        4.3072    0.9907    0.9907 { previous:     4.2949    0.9878    0.9878 }
 
 ASSIgn ((segid "    " and resid 32   and name HN  ))
        ((segid "    " and resid 32   and name HD1 )
      OR (segid "    " and resid 32   and name HD2 ))
        6.2660    1.4412    1.4412 { previous:     6.1591    1.4166    1.4166 }
 
 ASSIgn ((segid "    " and resid 37   and name HN  ))
        ((segid "    " and resid 37   and name HD1 )
      OR (segid "    " and resid 37   and name HD2 ))
        5.0122    1.1528    1.1528 { previous:     5.0278    1.1564    1.1564 }
 
 ASSIgn ((segid "    " and resid 38   and name HN  ))
        ((segid "    " and resid 38   and name HA  ))
        2.3821    0.5479    0.5479 { previous:     2.3821    0.5479    0.5479 }
 
 ASSIgn ((segid "    " and resid 38   and name HD21))
        ((segid "    " and resid 38   and name HB2 ))
        2.1872    0.4872    0.5030 { previous:     2.1905    0.4905    0.5038 }
 
 ASSIgn ((segid "    " and resid 5    and name HA  ))
        ((segid "    " and resid 19   and name HA  ))
        2.7012    0.6213    0.6213 { previous:     2.7453    0.6314    0.6314 }
 
 ASSIgn ((segid "    " and resid 7    and name HA  ))
        ((segid "    " and resid 17   and name HA  ))
        2.9243    0.6726    0.6726 { previous:     3.0950    0.7118    0.7118 }
 
 ASSIgn ((segid "    " and resid 18   and name HA  ))
        ((segid "    " and resid 28   and name HA  ))
        1.9922    0.2922    0.4582 { previous:     2.0124    0.3124    0.4629 }
 
 ASSIgn ((segid "    " and resid 9    and name HA  ))
        ((segid "    " and resid 13   and name HB1 ))
        4.2977    0.9885    0.9885 { previous:     4.2865    0.9859    0.9859 }
 
 ASSIgn ((segid "    " and resid 11   and name HA  ))
        ((segid "    " and resid 12   and name HA1 ))
        3.1095    0.7152    0.7152 { previous:     3.1287    0.7196    0.7196 }
 
 ASSIgn ((segid "    " and resid 26   and name HA  ))
        ((segid "    " and resid 20   and name HB1 ))
        3.0100    0.6923    0.6923 { previous:     3.0094    0.6922    0.6922 }
 
 ASSIgn ((segid "    " and resid 3    and name HA1 )
      OR (segid "    " and resid 3    and name HA2 ))
        ((segid "    " and resid 21   and name HB2 ))
        5.0188    1.1543    1.1543 { previous:     4.9099    1.1293    1.1293 }
 
 ASSIgn ((segid "    " and resid 30   and name HA  ))
        ((segid "    " and resid 16   and name HB1 ))
        1.7939    0.0939    0.4126 { previous:     1.8705    0.1705    0.4302 }
 
 ASSIgn ((segid "    " and resid 32   and name HA  ))
        ((segid "    " and resid 17   and name HB2 ))
        2.4033    0.5528    0.5528 { previous:     2.4323    0.5594    0.5594 }
 
 ASSIgn ((segid "    " and resid 33   and name HA  ))
        ((segid "    " and resid 36   and name HB1 )
      OR (segid "    " and resid 36   and name HB2 ))
        3.0309    0.6971    0.6971 { previous:     3.0602    0.7038    0.7038 }
 
 ASSIgn ((segid "    " and resid 34   and name HA  ))
        ((segid "    " and resid 37   and name HB1 )
      OR (segid "    " and resid 37   and name HB2 ))
        2.3735    0.5459    0.5459 { previous:     2.4099    0.5543    0.5543 }
 
 ASSIgn ((segid "    " and resid 9    and name HA  ))
        ((segid "    " and resid 13   and name HG1 )
      OR (segid "    " and resid 13   and name HG2 ))
        2.7544    0.6335    0.6335 { previous:     2.8319    0.6513    0.6513 }
 
 ASSIgn ((segid "    " and resid 20   and name HA  ))
        ((segid "    " and resid 21   and name HD1 ))
        2.0893    0.3893    0.4805 { previous:     2.0067    0.3067    0.4615 }
 
 ASSIgn ((segid "    " and resid 6    and name HD1 )
      OR (segid "    " and resid 6    and name HD2 ))
        ((segid "    " and resid 5    and name HA  ))
        4.2618    0.9802    0.9802 { previous:     4.2837    0.9852    0.9852 }
 
 ASSIgn ((segid "    " and resid 17   and name HD1 )
      OR (segid "    " and resid 17   and name HD2 ))
        ((segid "    " and resid 7    and name HA  ))
        3.2286    0.7426    0.7426 { previous:     3.1841    0.7324    0.7324 }
 
 ASSIgn ((segid "    " and resid 17   and name HD1 )
      OR (segid "    " and resid 17   and name HD2 ))
        ((segid "    " and resid 32   and name HA  ))
        2.8538    0.6564    0.6564 { previous:     2.8755    0.6614    0.6614 }
 
 ASSIgn ((segid "    " and resid 29   and name HD1 )
      OR (segid "    " and resid 29   and name HD2 ))
        ((segid "    " and resid 18   and name HA  ))
        4.5776    1.0528    1.0528 { previous:     4.5748    1.0522    1.0522 }
 
 ASSIgn ((segid "    " and resid 29   and name HD1 )
      OR (segid "    " and resid 29   and name HD2 ))
        ((segid "    " and resid 28   and name HA  ))
        2.9956    0.6890    0.6890 { previous:     3.0188    0.6943    0.6943 }
 
 ASSIgn ((segid "    " and resid 2    and name HA  ))
        ((segid "    " and resid 2    and name HB1 ))
        2.8892    0.6645    0.6645 { previous:     2.9429    0.6769    0.6769 }
 
 ASSIgn ((segid "    " and resid 2    and name HA  ))
        ((segid "    " and resid 2    and name HB2 ))
        4.0486    0.9312    0.9312 { previous:     4.1678    0.9586    0.9586 }
 
 ASSIgn ((segid "    " and resid 4    and name HA  ))
        ((segid "    " and resid 4    and name HB1 ))
        2.2251    0.5118    0.5118 { previous:     2.2485    0.5172    0.5172 }
 
 ASSIgn ((segid "    " and resid 5    and name HA  ))
        ((segid "    " and resid 5    and name HB2 ))
        2.7800    0.6394    0.6394 { previous:     2.8276    0.6503    0.6503 }
 
 ASSIgn ((segid "    " and resid 6    and name HA  ))
        ((segid "    " and resid 6    and name HB2 ))
        2.3434    0.5390    0.5390 { previous:     2.3547    0.5416    0.5416 }
 
 ASSIgn ((segid "    " and resid 6    and name HA  ))
        ((segid "    " and resid 6    and name HB1 ))
        2.3703    0.5452    0.5452 { previous:     2.3826    0.5480    0.5480 }
 
 ASSIgn ((segid "    " and resid 6    and name HA  ))
        ((segid "    " and resid 6    and name HD1 )
      OR (segid "    " and resid 6    and name HD2 ))
        4.1536    0.9553    0.9553 { previous:     4.1779    0.9609    0.9609 }
 
 ASSIgn ((segid "    " and resid 6    and name HD1 )
      OR (segid "    " and resid 6    and name HD2 ))
        ((segid "    " and resid 6    and name HB2 ))
        2.5310    0.5821    0.5821 { previous:     2.5358    0.5832    0.5832 }
 
 ASSIgn ((segid "    " and resid 6    and name HD1 )
      OR (segid "    " and resid 6    and name HD2 ))
        ((segid "    " and resid 6    and name HB1 ))
        2.4678    0.5676    0.5676 { previous:     2.4901    0.5727    0.5727 }
 
 ASSIgn ((segid "    " and resid 6    and name HE1 )
      OR (segid "    " and resid 6    and name HE2 ))
        ((segid "    " and resid 6    and name HB2 ))
        4.5132    1.0380    1.0380 { previous:     4.6207    1.0628    1.0628 }
 
 ASSIgn ((segid "    " and resid 6    and name HE1 )
      OR (segid "    " and resid 6    and name HE2 ))
        ((segid "    " and resid 6    and name HB1 ))
        5.1440    1.1831    1.1831 { previous:     5.2194    1.2005    1.2005 }
 
 ASSIgn ((segid "    " and resid 25   and name HD1 )
      OR (segid "    " and resid 25   and name HD2 ))
        ((segid "    " and resid 25   and name HE1 )
      OR (segid "    " and resid 25   and name HE2 ))
        3.1044    0.7140    0.7140 { previous:     3.1574    0.7262    0.7262 }
 
 ASSIgn ((segid "    " and resid 7    and name HA  ))
        ((segid "    " and resid 7    and name HB1 ))
        2.5348    0.5830    0.5830 { previous:     2.4217    0.5570    0.5570 }
 
 ASSIgn ((segid "    " and resid 7    and name HA  ))
        ((segid "    " and resid 7    and name HB2 ))
        2.3663    0.5443    0.5443 { previous:     2.2679    0.5216    0.5216 }
 
 ASSIgn ((segid "    " and resid 7    and name HA  ))
        ((segid "    " and resid 7    and name HG2 ))
        4.1842    0.9624    0.9624 { previous:     4.0465    0.9307    0.9307 }
 
 ASSIgn ((segid "    " and resid 7    and name HA  ))
        ((segid "    " and resid 7    and name HG1 ))
        3.5899    0.8257    0.8257 { previous:     3.4761    0.7995    0.7995 }
 
 ASSIgn ((segid "    " and resid 7    and name HB2 ))
        ((segid "    " and resid 7    and name HB1 ))
        1.7000    0.0000    0.3910 { previous:     1.7000    0.0000    0.3910 }
 
 ASSIgn ((segid "    " and resid 7    and name HB1 ))
        ((segid "    " and resid 7    and name HG2 ))
        2.6378    0.6067    0.6067 { previous:     2.6383    0.6068    0.6068 }
 
 ASSIgn ((segid "    " and resid 7    and name HB1 ))
        ((segid "    " and resid 7    and name HG1 ))
        2.9604    0.6809    0.6809 { previous:     2.9694    0.6830    0.6830 }
 
 ASSIgn ((segid "    " and resid 7    and name HB2 ))
        ((segid "    " and resid 7    and name HG2 ))
        2.9011    0.6672    0.6672 { previous:     2.9201    0.6716    0.6716 }
 
 ASSIgn ((segid "    " and resid 7    and name HG2 ))
        ((segid "    " and resid 7    and name HG1 ))
        1.8467    0.1467    0.4247 { previous:     1.8566    0.1566    0.4270 }
 
 ASSIgn ((segid "    " and resid 10   and name HA  ))
        ((segid "    " and resid 10   and name HB2 ))
        2.2439    0.5161    0.5161 { previous:     2.2666    0.5213    0.5213 }
 
 ASSIgn ((segid "    " and resid 11   and name HA  ))
        ((segid "    " and resid 11   and name HB2 ))
        3.1739    0.7300    0.7300 { previous:     3.1987    0.7357    0.7357 }
 
 ASSIgn ((segid "    " and resid 11   and name HA  ))
        ((segid "    " and resid 11   and name HB1 ))
        2.7179    0.6251    0.6251 { previous:     2.7343    0.6289    0.6289 }
 
 ASSIgn ((segid "    " and resid 13   and name HA  ))
        ((segid "    " and resid 13   and name HB2 ))
        2.3505    0.5406    0.5406 { previous:     2.4048    0.5531    0.5531 }
 
 ASSIgn ((segid "    " and resid 13   and name HA  ))
        ((segid "    " and resid 13   and name HB1 ))
        2.1749    0.4749    0.5002 { previous:     2.2463    0.5166    0.5166 }
 
 ASSIgn ((segid "    " and resid 13   and name HA  ))
        ((segid "    " and resid 13   and name HG1 ))
        3.4583    0.7954    0.7954 { previous:     3.4810    0.8006    0.8006 }
 
 ASSIgn ((segid "    " and resid 14   and name HA  ))
        ((segid "    " and resid 14   and name HB  ))
        2.7995    0.6439    0.6439 { previous:     2.8093    0.6461    0.6461 }
 
 ASSIgn ((segid "    " and resid 16   and name HA  ))
        ((segid "    " and resid 16   and name HB1 ))
        2.1096    0.4096    0.4852 { previous:     2.1429    0.4429    0.4929 }
 
 ASSIgn ((segid "    " and resid 16   and name HA  ))
        ((segid "    " and resid 16   and name HB2 ))
        2.6645    0.6128    0.6128 { previous:     2.7541    0.6334    0.6334 }
 
 ASSIgn ((segid "    " and resid 17   and name HA  ))
        ((segid "    " and resid 17   and name HB2 ))
        3.3236    0.7644    0.7644 { previous:     3.4066    0.7835    0.7835 }
 
 ASSIgn ((segid "    " and resid 17   and name HA  ))
        ((segid "    " and resid 17   and name HB1 ))
        2.0745    0.3745    0.4771 { previous:     2.1098    0.4098    0.4853 }
 
 ASSIgn ((segid "    " and resid 17   and name HD1 )
      OR (segid "    " and resid 17   and name HD2 ))
        ((segid "    " and resid 17   and name HA  ))
        2.9725    0.6837    0.6837 { previous:     3.1131    0.7160    0.7160 }
 
 ASSIgn ((segid "    " and resid 17   and name HD1 )
      OR (segid "    " and resid 17   and name HD2 ))
        ((segid "    " and resid 17   and name HB2 ))
        2.9327    0.6745    0.6745 { previous:     2.9596    0.6807    0.6807 }
 
 ASSIgn ((segid "    " and resid 17   and name HD1 )
      OR (segid "    " and resid 17   and name HD2 ))
        ((segid "    " and resid 17   and name HB1 ))
        2.4626    0.5664    0.5664 { previous:     2.4656    0.5671    0.5671 }
 
 ASSIgn ((segid "    " and resid 17   and name HE1 )
      OR (segid "    " and resid 17   and name HE2 ))
        ((segid "    " and resid 17   and name HB1 ))
        4.7442    1.0912    1.0912 { previous:     4.7588    1.0945    1.0945 }
 
 ASSIgn ((segid "    " and resid 17   and name HE1 )
      OR (segid "    " and resid 17   and name HE2 ))
        ((segid "    " and resid 17   and name HD1 )
      OR (segid "    " and resid 17   and name HD2 ))
        2.6774    0.6158    0.6158 { previous:     2.6977    0.6205    0.6205 }
 
 ASSIgn ((segid "    " and resid 18   and name HA  ))
        ((segid "    " and resid 18   and name HB2 ))
        3.2922    0.7572    0.7572 { previous:     3.3397    0.7681    0.7681 }
 
 ASSIgn ((segid "    " and resid 18   and name HA  ))
        ((segid "    " and resid 18   and name HB1 ))
        2.6488    0.6092    0.6092 { previous:     2.6559    0.6108    0.6108 }
 
 ASSIgn ((segid "    " and resid 19   and name HA  ))
        ((segid "    " and resid 19   and name HB1 ))
        2.3309    0.5361    0.5361 { previous:     2.3543    0.5415    0.5415 }
 
 ASSIgn ((segid "    " and resid 19   and name HA  ))
        ((segid "    " and resid 19   and name HB2 ))
        2.8432    0.6539    0.6539 { previous:     2.8854    0.6636    0.6636 }
 
 ASSIgn ((segid "    " and resid 20   and name HA  ))
        ((segid "    " and resid 20   and name HB2 ))
        2.8339    0.6518    0.6518 { previous:     2.6294    0.6048    0.6048 }
 
 ASSIgn ((segid "    " and resid 20   and name HA  ))
        ((segid "    " and resid 20   and name HB1 ))
        2.5334    0.5827    0.5827 { previous:     2.5391    0.5840    0.5840 }
 
 ASSIgn ((segid "    " and resid 21   and name HA  ))
        ((segid "    " and resid 21   and name HB1 ))
        2.3314    0.5362    0.5362 { previous:     2.3455    0.5395    0.5395 }
 
 ASSIgn ((segid "    " and resid 21   and name HA  ))
        ((segid "    " and resid 21   and name HB2 ))
        2.9304    0.6740    0.6740 { previous:     2.9593    0.6806    0.6806 }
 
 ASSIgn ((segid "    " and resid 21   and name HB1 ))
        ((segid "    " and resid 21   and name HG2 ))
        3.0347    0.6980    0.6980 { previous:     3.1484    0.7241    0.7241 }
 
 ASSIgn ((segid "    " and resid 21   and name HB1 ))
        ((segid "    " and resid 21   and name HG1 ))
        2.3083    0.5309    0.5309 { previous:     2.3537    0.5414    0.5414 }
 
 ASSIgn ((segid "    " and resid 21   and name HB2 ))
        ((segid "    " and resid 21   and name HG2 ))
        2.7189    0.6253    0.6253 { previous:     2.8228    0.6492    0.6492 }
 
 ASSIgn ((segid "    " and resid 21   and name HG2 ))
        ((segid "    " and resid 21   and name HD2 ))
        2.1191    0.4191    0.4874 { previous:     2.1744    0.4744    0.5001 }
 
 ASSIgn ((segid "    " and resid 21   and name HG1 ))
        ((segid "    " and resid 21   and name HD2 ))
        3.2800    0.7544    0.7544 { previous:     3.3780    0.7769    0.7769 }
 
 ASSIgn ((segid "    " and resid 21   and name HG1 ))
        ((segid "    " and resid 21   and name HD1 ))
        2.3216    0.5340    0.5340 { previous:     2.3340    0.5368    0.5368 }
 
 ASSIgn ((segid "    " and resid 22   and name HA  ))
        ((segid "    " and resid 22   and name HB  ))
        2.7090    0.6231    0.6231 { previous:     2.7167    0.6248    0.6248 }
 
 ASSIgn ((segid "    " and resid 22   and name HA  ))
        ((segid "    " and resid 22   and name HG11)
      OR (segid "    " and resid 22   and name HG12))
        3.2458    0.7465    0.7465 { previous:     3.3146    0.7623    0.7623 }
 
 ASSIgn ((segid "    " and resid 24   and name HA  ))
        ((segid "    " and resid 24   and name HB2 ))
        2.2905    0.5268    0.5268 { previous:     2.2468    0.5168    0.5168 }
 
 ASSIgn ((segid "    " and resid 24   and name HA  ))
        ((segid "    " and resid 24   and name HB1 ))
        2.3200    0.5336    0.5336 { previous:     2.1886    0.4886    0.5034 }
 
 ASSIgn ((segid "    " and resid 25   and name HA  ))
        ((segid "    " and resid 25   and name HB1 )
      OR (segid "    " and resid 25   and name HB2 ))
        2.5836    0.5942    0.5942 { previous:     2.5602    0.5888    0.5888 }
 
 ASSIgn ((segid "    " and resid 25   and name HA  ))
        ((segid "    " and resid 25   and name HD1 )
      OR (segid "    " and resid 25   and name HD2 ))
        3.1508    0.7247    0.7247 { previous:     3.2292    0.7427    0.7427 }
 
 ASSIgn ((segid "    " and resid 25   and name HA  ))
        ((segid "    " and resid 25   and name HE1 )
      OR (segid "    " and resid 25   and name HE2 ))
        4.8565    1.1170    1.1170 { previous:     4.7169    1.0849    1.0849 }
 
 ASSIgn ((segid "    " and resid 26   and name HA  ))
        ((segid "    " and resid 26   and name HB1 ))
        3.4566    0.7950    0.7950 { previous:     3.4514    0.7938    0.7938 }
 
 ASSIgn ((segid "    " and resid 26   and name HA  ))
        ((segid "    " and resid 26   and name HB2 ))
        2.7363    0.6294    0.6294 { previous:     2.7913    0.6420    0.6420 }
 
 ASSIgn ((segid "    " and resid 27   and name HA  ))
        ((segid "    " and resid 27   and name HB  ))
        3.0498    0.7014    0.7014 { previous:     3.0588    0.7035    0.7035 }
 
 ASSIgn ((segid "    " and resid 28   and name HA  ))
        ((segid "    " and resid 28   and name HB2 ))
        2.9664    0.6823    0.6823 { previous:     2.9672    0.6824    0.6824 }
 
 ASSIgn ((segid "    " and resid 28   and name HA  ))
        ((segid "    " and resid 28   and name HB1 ))
        2.6204    0.6027    0.6027 { previous:     2.6275    0.6043    0.6043 }
 
 ASSIgn ((segid "    " and resid 29   and name HA  ))
        ((segid "    " and resid 29   and name HB1 ))
        2.2054    0.5054    0.5072 { previous:     2.2265    0.5121    0.5121 }
 
 ASSIgn ((segid "    " and resid 29   and name HA  ))
        ((segid "    " and resid 29   and name HB2 ))
        2.6899    0.6187    0.6187 { previous:     2.6995    0.6209    0.6209 }
 
 ASSIgn ((segid "    " and resid 29   and name HD1 )
      OR (segid "    " and resid 29   and name HD2 ))
        ((segid "    " and resid 29   and name HA  ))
        3.3487    0.7702    0.7702 { previous:     3.3430    0.7689    0.7689 }
 
 ASSIgn ((segid "    " and resid 29   and name HD1 )
      OR (segid "    " and resid 29   and name HD2 ))
        ((segid "    " and resid 29   and name HB1 ))
        2.5153    0.5785    0.5785 { previous:     2.5272    0.5813    0.5813 }
 
 ASSIgn ((segid "    " and resid 29   and name HD1 )
      OR (segid "    " and resid 29   and name HD2 ))
        ((segid "    " and resid 29   and name HB2 ))
        2.4531    0.5642    0.5642 { previous:     2.4680    0.5676    0.5676 }
 
 ASSIgn ((segid "    " and resid 29   and name HD1 )
      OR (segid "    " and resid 29   and name HD2 ))
        ((segid "    " and resid 29   and name HE1 )
      OR (segid "    " and resid 29   and name HE2 ))
        2.6263    0.6040    0.6040 { previous:     2.6104    0.6004    0.6004 }
 
 ASSIgn ((segid "    " and resid 30   and name HA  ))
        ((segid "    " and resid 30   and name HB1 ))
        2.4590    0.5656    0.5656 { previous:     2.4897    0.5726    0.5726 }
 
 ASSIgn ((segid "    " and resid 30   and name HA  ))
        ((segid "    " and resid 30   and name HB2 ))
        2.0436    0.3436    0.4700 { previous:     2.0941    0.3941    0.4817 }
 
 ASSIgn ((segid "    " and resid 31   and name HA  ))
        ((segid "    " and resid 31   and name HB1 ))
        2.2293    0.5127    0.5127 { previous:     2.2415    0.5155    0.5155 }
 
 ASSIgn ((segid "    " and resid 31   and name HA  ))
        ((segid "    " and resid 31   and name HB2 ))
        2.6064    0.5995    0.5995 { previous:     2.6221    0.6031    0.6031 }
 
 ASSIgn ((segid "    " and resid 32   and name HA  ))
        ((segid "    " and resid 32   and name HB2 ))
        2.6759    0.6155    0.6155 { previous:     2.6935    0.6195    0.6195 }
 
 ASSIgn ((segid "    " and resid 32   and name HA  ))
        ((segid "    " and resid 32   and name HB1 ))
        2.8756    0.6614    0.6614 { previous:     2.8916    0.6651    0.6651 }
 
 ASSIgn ((segid "    " and resid 32   and name HA  ))
        ((segid "    " and resid 32   and name HG2 ))
        3.8385    0.8829    0.8829 { previous:     3.7973    0.8734    0.8734 }
 
 ASSIgn ((segid "    " and resid 32   and name HA  ))
        ((segid "    " and resid 32   and name HG1 ))
        3.5483    0.8161    0.8161 { previous:     3.6130    0.8310    0.8310 }
 
 ASSIgn ((segid "    " and resid 32   and name HD1 )
      OR (segid "    " and resid 32   and name HD2 ))
        ((segid "    " and resid 32   and name HE1 )
      OR (segid "    " and resid 32   and name HE2 ))
        3.4979    0.8045    0.8045 { previous:     3.5479    0.8160    0.8160 }
 
 ASSIgn ((segid "    " and resid 34   and name HA  ))
        ((segid "    " and resid 34   and name HB  ))
        2.5389    0.5840    0.5840 { previous:     2.5623    0.5893    0.5893 }
 
 ASSIgn ((segid "    " and resid 34   and name HA  ))
        ((segid "    " and resid 34   and name HG11)
      OR (segid "    " and resid 34   and name HG12))
        2.4379    0.5607    0.5607 { previous:     2.4731    0.5688    0.5688 }
 
 ASSIgn ((segid "    " and resid 35   and name HB1 ))
        ((segid "    " and resid 35   and name HB2 ))
        2.0410    0.3410    0.4694 { previous:     2.0484    0.3484    0.4711 }
 
 ASSIgn ((segid "    " and resid 36   and name HA  ))
        ((segid "    " and resid 36   and name HB1 )
      OR (segid "    " and resid 36   and name HB2 ))
        2.8337    0.6518    0.6518 { previous:     2.8846    0.6635    0.6635 }
 
 ASSIgn ((segid "    " and resid 37   and name HA  ))
        ((segid "    " and resid 37   and name HB1 )
      OR (segid "    " and resid 37   and name HB2 ))
        2.6879    0.6182    0.6182 { previous:     2.7058    0.6223    0.6223 }
 
 ASSIgn ((segid "    " and resid 37   and name HA  ))
        ((segid "    " and resid 37   and name HD1 )
      OR (segid "    " and resid 37   and name HD2 ))
        3.4162    0.7857    0.7857 { previous:     3.4259    0.7880    0.7880 }
 
 ASSIgn ((segid "    " and resid 37   and name HA  ))
        ((segid "    " and resid 37   and name HE1 )
      OR (segid "    " and resid 37   and name HE2 ))
        6.2125    1.4289    1.4289 { previous:     6.2740    1.4430    1.4430 }
 
 ASSIgn ((segid "    " and resid 38   and name HA  ))
        ((segid "    " and resid 38   and name HB2 ))
        2.5398    0.5841    0.5841 { previous:     2.5250    0.5807    0.5807 }
 
 ASSIgn ((segid "    " and resid 38   and name HA  ))
        ((segid "    " and resid 38   and name HB1 ))
        2.2478    0.5170    0.5170 { previous:     2.2364    0.5144    0.5144 }
 
 ASSIgn ((segid "    " and resid 39   and name HA  ))
        ((segid "    " and resid 39   and name HB1 ))
        2.5367    0.5834    0.5834 { previous:     2.5279    0.5814    0.5814 }
 

 
 ASSIgn ((segid "    " and resid 31   and name HN  ))
        ((segid "    " and resid 33   and name HB1 )
      OR (segid "    " and resid 33   and name HB2 )
      OR (segid "    " and resid 33   and name HB3 ))
        6.6198    1.5225    1.5225 { previous:     6.6405    1.5273   
        1.5273 }
 
 ASSIgn ((segid "    " and resid 34   and name HN  ))
        ((segid "    " and resid 33   and name HB1 )
      OR (segid "    " and resid 33   and name HB2 )
      OR (segid "    " and resid 33   and name HB3 ))
        2.7138    0.6242    0.6242 { previous:     2.7126    0.6239   
        0.6239 }
 
 ASSIgn ((segid "    " and resid 10   and name HN  ))
        ((segid "    " and resid 9    and name HG21)
      OR (segid "    " and resid 9    and name HG22)
      OR (segid "    " and resid 9    and name HG23))
        5.0241    1.1556    1.1556 { previous:     5.0377    1.1587   
        1.1587 }
 
 ASSIgn ((segid "    " and resid 15   and name HN  ))
        ((segid "    " and resid 14   and name HG21)
      OR (segid "    " and resid 14   and name HG22)
      OR (segid "    " and resid 14   and name HG23))
        5.8227    1.3392    1.3392 { previous:     5.7815    1.3297   
        1.3297 }
 
 ASSIgn ((segid "    " and resid 15   and name HN  ))
        ((segid "    " and resid 14   and name HG11)
      OR (segid "    " and resid 14   and name HG12)
      OR (segid "    " and resid 14   and name HG13))
        3.9859    0.9168    0.9168 { previous:     3.9330    0.9046   
        0.9046 }
 
 ASSIgn ((segid "    " and resid 23   and name HN  ))
        ((segid "    " and resid 22   and name HG21)
      OR (segid "    " and resid 22   and name HG22)
      OR (segid "    " and resid 22   and name HG23))
        3.0755    0.7074    0.7074 { previous:     3.0533    0.7023   
        0.7023 }
 
 ASSIgn ((segid "    " and resid 28   and name HN  ))
        ((segid "    " and resid 27   and name HG11)
      OR (segid "    " and resid 27   and name HG12)
      OR (segid "    " and resid 27   and name HG13))
        3.5309    0.8121    0.8121 { previous:     3.5259    0.8110   
        0.8110 }
 
 ASSIgn ((segid "    " and resid 39   and name HN  ))
        ((segid "    " and resid 27   and name HG11)
      OR (segid "    " and resid 27   and name HG12)
      OR (segid "    " and resid 27   and name HG13))
        5.4788    1.2601    1.2601 { previous:     5.4180    1.2461   
        1.2461 }
 
 ASSIgn ((segid "    " and resid 30   and name HN  ))
        ((segid "    " and resid 34   and name HD11)
      OR (segid "    " and resid 34   and name HD12)
      OR (segid "    " and resid 34   and name HD13))
        4.2474    0.9769    0.9769 { previous:     4.2577    0.9793   
        0.9793 }
 
 ASSIgn ((segid "    " and resid 31   and name HN  ))
        ((segid "    " and resid 34   and name HD11)
      OR (segid "    " and resid 34   and name HD12)
      OR (segid "    " and resid 34   and name HD13))
        3.3261    0.7650    0.7650 { previous:     3.3403    0.7683   
        0.7683 }
 
 ASSIgn ((segid "    " and resid 35   and name HN  ))
        ((segid "    " and resid 34   and name HD11)
      OR (segid "    " and resid 34   and name HD12)
      OR (segid "    " and resid 34   and name HD13))
        5.1771    1.1907    1.1907 { previous:     5.1787    1.1911   
        1.1911 }
 
 ASSIgn ((segid "    " and resid 38   and name HN  ))
        ((segid "    " and resid 34   and name HD11)
      OR (segid "    " and resid 34   and name HD12)
      OR (segid "    " and resid 34   and name HD13))
        4.9260    1.1330    1.1330 { previous:     4.9384    1.1358   
        1.1358 }
 
 ASSIgn ((segid "    " and resid 29   and name HE1 )
      OR (segid "    " and resid 29   and name HE2 ))
        ((segid "    " and resid 34   and name HD11)
      OR (segid "    " and resid 34   and name HD12)
      OR (segid "    " and resid 34   and name HD13))
        5.5476    1.2759    1.2759 { previous:     5.5528    1.2772   
        1.2772 }
 
 ASSIgn ((segid "    " and resid 4    and name HN  ))
        ((segid "    " and resid 4    and name HD11)
      OR (segid "    " and resid 4    and name HD12)
      OR (segid "    " and resid 4    and name HD13))
        4.3880    1.0092    1.0092 { previous:     4.3600    1.0028   
        1.0028 }
 
 ASSIgn ((segid "    " and resid 9    and name HN  ))
        ((segid "    " and resid 9    and name HG21)
      OR (segid "    " and resid 9    and name HG22)
      OR (segid "    " and resid 9    and name HG23))
        4.8824    1.1230    1.1230 { previous:     4.8985    1.1266   
        1.1266 }
 
 ASSIgn ((segid "    " and resid 14   and name HN  ))
        ((segid "    " and resid 14   and name HG21)
      OR (segid "    " and resid 14   and name HG22)
      OR (segid "    " and resid 14   and name HG23))
        3.0782    0.7080    0.7080 { previous:     2.9991    0.6898   
        0.6898 }
 
 ASSIgn ((segid "    " and resid 14   and name HN  ))
        ((segid "    " and resid 14   and name HG11)
      OR (segid "    " and resid 14   and name HG12)
      OR (segid "    " and resid 14   and name HG13))
        4.7069    1.0826    1.0826 { previous:     4.7074    1.0827   
        1.0827 }
 
 ASSIgn ((segid "    " and resid 22   and name HN  ))
        ((segid "    " and resid 22   and name HG21)
      OR (segid "    " and resid 22   and name HG22)
      OR (segid "    " and resid 22   and name HG23))
        3.2527    0.7481    0.7481 { previous:     2.8991    0.6668   
        0.6668 }
 
 ASSIgn ((segid "    " and resid 33   and name HN  ))
        ((segid "    " and resid 33   and name HB1 )
      OR (segid "    " and resid 33   and name HB2 )
      OR (segid "    " and resid 33   and name HB3 ))
        2.6207    0.6028    0.6028 { previous:     2.6223    0.6031   
        0.6031 }
 
 ASSIgn ((segid "    " and resid 34   and name HN  ))
        ((segid "    " and resid 34   and name HD11)
      OR (segid "    " and resid 34   and name HD12)
      OR (segid "    " and resid 34   and name HD13))
        4.3418    0.9986    0.9986 { previous:     4.3379    0.9977   
        0.9977 }
 
 ASSIgn ((segid "    " and resid 40   and name HN  ))
        ((segid "    " and resid 40   and name HG21)
      OR (segid "    " and resid 40   and name HG22)
      OR (segid "    " and resid 40   and name HG23))
        3.8964    0.8962    0.8962 { previous:     3.9389    0.9059   
        0.9059 }
 
 ASSIgn ((segid "    " and resid 19   and name HN  ))
        ((segid "    " and resid 27   and name HG11)
      OR (segid "    " and resid 27   and name HG12)
      OR (segid "    " and resid 27   and name HG13))
        5.0920    1.1712    1.1712 { previous:     5.1534    1.1853   
        1.1853 }
 
 ASSIgn ((segid "    " and resid 19   and name HN  ))
        ((segid "    " and resid 27   and name HG21)
      OR (segid "    " and resid 27   and name HG22)
      OR (segid "    " and resid 27   and name HG23))
        5.5229    1.2703    1.2703 { previous:     5.5442    1.2752   
        1.2752 }
 
 ASSIgn ((segid "    " and resid 35   and name HN  ))
        ((segid "    " and resid 34   and name HG21)
      OR (segid "    " and resid 34   and name HG22)
      OR (segid "    " and resid 34   and name HG23))
        4.3636    1.0036    1.0036 { previous:     4.3694    1.0050   
        1.0050 }
 
 ASSIgn ((segid "    " and resid 34   and name HN  ))
        ((segid "    " and resid 34   and name HG21)
      OR (segid "    " and resid 34   and name HG22)
      OR (segid "    " and resid 34   and name HG23))
        4.0241    0.9255    0.9255 { previous:     4.0199    0.9246   
        0.9246 }
 
 ASSIgn ((segid "    " and resid 21   and name HA  ))
        ((segid "    " and resid 4    and name HD11)
      OR (segid "    " and resid 4    and name HD12)
      OR (segid "    " and resid 4    and name HD13))
        4.2918    0.9871    0.9871 { previous:     4.3443    0.9992   
        0.9992 }
 
 ASSIgn ((segid "    " and resid 21   and name HB1 ))
        ((segid "    " and resid 4    and name HD11)
      OR (segid "    " and resid 4    and name HD12)
      OR (segid "    " and resid 4    and name HD13))
        4.2541    0.9784    0.9784 { previous:     4.3460    0.9996   
        0.9996 }
 
 ASSIgn ((segid "    " and resid 39   and name HB2 ))
        ((segid "    " and resid 40   and name HG21)
      OR (segid "    " and resid 40   and name HG22)
      OR (segid "    " and resid 40   and name HG23))
        3.8931    0.8954    0.8954 { previous:     3.9691    0.9129   
        0.9129 }
 
 ASSIgn ((segid "    " and resid 25   and name HD1 )
      OR (segid "    " and resid 25   and name HD2 ))
        ((segid "    " and resid 22   and name HG21)
      OR (segid "    " and resid 22   and name HG22)
      OR (segid "    " and resid 22   and name HG23))
        5.2215    1.2009    1.2009 { previous:     4.9876    1.1472   
        1.1472 }
 
 ASSIgn ((segid "    " and resid 29   and name HD1 )
      OR (segid "    " and resid 29   and name HD2 ))
        ((segid "    " and resid 27   and name HG21)
      OR (segid "    " and resid 27   and name HG22)
      OR (segid "    " and resid 27   and name HG23))
        6.8735    1.5809    1.5809 { previous:     6.8085    1.5660   
        1.5660 }
 
 ASSIgn ((segid "    " and resid 29   and name HD1 )
      OR (segid "    " and resid 29   and name HD2 ))
        ((segid "    " and resid 34   and name HD11)
      OR (segid "    " and resid 34   and name HD12)
      OR (segid "    " and resid 34   and name HD13))
        4.5623    1.0493    1.0493 { previous:     4.6192    1.0624   
        1.0624 }
 
 ASSIgn ((segid "    " and resid 29   and name HE1 )
      OR (segid "    " and resid 29   and name HE2 ))
        ((segid "    " and resid 27   and name HG21)
      OR (segid "    " and resid 27   and name HG22)
      OR (segid "    " and resid 27   and name HG23))
        6.6892    1.5385    1.5385 { previous:     6.6228    1.5232   
        1.5232 }
 
 ASSIgn ((segid "    " and resid 4    and name HA  ))
        ((segid "    " and resid 4    and name HD21)
      OR (segid "    " and resid 4    and name HD22)
      OR (segid "    " and resid 4    and name HD23))
        3.2375    0.7446    0.7446 { previous:     3.2207    0.7408   
        0.7408 }
 
 ASSIgn ((segid "    " and resid 9    and name HA  ))
        ((segid "    " and resid 9    and name HG21)
      OR (segid "    " and resid 9    and name HG22)
      OR (segid "    " and resid 9    and name HG23))
        3.2575    0.7492    0.7492 { previous:     3.3038    0.7599   
        0.7599 }
 
 ASSIgn ((segid "    " and resid 14   and name HA  ))
        ((segid "    " and resid 14   and name HG21)
      OR (segid "    " and resid 14   and name HG22)
      OR (segid "    " and resid 14   and name HG23))
        2.9839    0.6863    0.6863 { previous:     2.9599    0.6808   
        0.6808 }
 
 ASSIgn ((segid "    " and resid 14   and name HA  ))
        ((segid "    " and resid 14   and name HG11)
      OR (segid "    " and resid 14   and name HG12)
      OR (segid "    " and resid 14   and name HG13))
        3.2663    0.7513    0.7513 { previous:     3.2823    0.7549   
        0.7549 }
 
 ASSIgn ((segid "    " and resid 22   and name HA  ))
        ((segid "    " and resid 22   and name HG21)
      OR (segid "    " and resid 22   and name HG22)
      OR (segid "    " and resid 22   and name HG23))
        3.3679    0.7746    0.7746 { previous:     3.4232    0.7873   
        0.7873 }
 
 ASSIgn ((segid "    " and resid 22   and name HA  ))
        ((segid "    " and resid 22   and name HD11)
      OR (segid "    " and resid 22   and name HD12)
      OR (segid "    " and resid 22   and name HD13))
        5.3727    1.2357    1.2357 { previous:     5.3894    1.2396   
        1.2396 }
 
 ASSIgn ((segid "    " and resid 27   and name HA  ))
        ((segid "    " and resid 27   and name HG11)
      OR (segid "    " and resid 27   and name HG12)
      OR (segid "    " and resid 27   and name HG13))
        2.7746    0.6382    0.6382 { previous:     2.7699    0.6371   
        0.6371 }
 
 ASSIgn ((segid "    " and resid 27   and name HA  ))
        ((segid "    " and resid 27   and name HG21)
      OR (segid "    " and resid 27   and name HG22)
      OR (segid "    " and resid 27   and name HG23))
        2.9360    0.6753    0.6753 { previous:     2.9105    0.6694   
        0.6694 }
 
 ASSIgn ((segid "    " and resid 33   and name HA  ))
        ((segid "    " and resid 33   and name HB1 )
      OR (segid "    " and resid 33   and name HB2 )
      OR (segid "    " and resid 33   and name HB3 ))
        2.8477    0.6550    0.6550 { previous:     2.8674    0.6595   
        0.6595 }
 
 ASSIgn ((segid "    " and resid 34   and name HA  ))
        ((segid "    " and resid 34   and name HG21)
      OR (segid "    " and resid 34   and name HG22)
      OR (segid "    " and resid 34   and name HG23))
        3.0997    0.7129    0.7129 { previous:     3.1191    0.7174   
        0.7174 }
 
 ASSIgn ((segid "    " and resid 34   and name HA  ))
        ((segid "    " and resid 34   and name HD11)
      OR (segid "    " and resid 34   and name HD12)
      OR (segid "    " and resid 34   and name HD13))
        3.6700    0.8441    0.8441 { previous:     3.7043    0.8520   
        0.8520 }
 
 ASSIgn ((segid "    " and resid 40   and name HA  )
      OR (segid "    " and resid 40   and name HB  ))
        ((segid "    " and resid 40   and name HG21)
      OR (segid "    " and resid 40   and name HG22)
      OR (segid "    " and resid 40   and name HG23))
        3.3041    0.7600    0.7600 { previous:     3.3528    0.7711   
        0.7711 }

assign (resid 23 and name hn) (resid 25 and name hn) 4.2 2.4 0.8
assign (resid 32 and name hn) (resid 35 and name hn) 4.2 0.8 0.8
assign (resid 11 and name ha) (resid 12 and name hn) 3.0 1.2 0.5
assign (resid 39 and name ha) (resid 40 and name hn) 3.0 1.2 0.5
assign (resid 35 and name hn) (resid 33 and name ha) 4.2 0.6 0.6
assign (resid 16 and name hn) (resid 13 and name hb1) 4.2 2.4 0.8
assign (resid 22 and name hn) (resid 21 and name hb#) 4.2 2.4 0.3
assign (resid 34 and name hn) (resid 38 and name hb2) 4.2 2.4 0.8
assign (resid 35 and name hn) (resid 33 and name hb#) 4.2 2.4 1.8
assign (resid 35 and name hn) (resid 31 and name hb#) 4.2 1.8 0.8
assign (resid 12 and name hn) (resid 9 and name hg2#) 4.2 2.4 1.8
assign (resid 30 and name hn) (resid 34 and name hg2#) 4.2 2.4 1.8
assign (resid 31 and name hn) (resid 34 and name hg2#) 4.2 2.4 1.8
assign (resid 33 and name hn) (resid 32 and name hg#) 4.2 2.4 0.8
assign (resid 19 and name ha) (resid 5 and name hb#) 4.2 2.4 0.8
assign (resid 36 and name ha) (resid 39 and name hb#) 4.2 1.7 0.2
assign (resid 15 and name ha#) (resid 16 and name hg#) 4.2 2.4 0.8
assign (resid 5 and name hb1) (resid 35 and name hb1) 4.2 2.4 0.8
assign (resid 5 and name hb2) (resid 35 and name hb1) 4.2 2.4 0.8
assign (resid 11 and name hb1) (resid 26 and name hb2) 4.2 2.4 0.8
assign (resid 18 and name hb1) (resid 28 and name hb1) 4.2 2.4 0.8
assign (resid 28 and name hb2) (resid 18 and name hb1) 4.2 2.4 0.8
assign (resid 39 and name hb2) (resid 19 and name hb2) 3.3 1.5 0.2
assign (resid 29 and name hd#) (resid 34 and name hb) 3.0 1.2 2.0
assign (resid 17 and name he#) (resid 32 and name hb1) 4.2 2.4 1.8
assign (resid 17 and name he#) (resid 32 and name hg#) 4.2 2.4 1.2

  Entry H atom name         Submitted Coord H atom name
    1   1H    ASP   1           HT3      ASP   1  10.590   2.025   2.025
    2   2H    ASP   1           HT2      ASP   1  10.778   3.692   3.692
    3   3H    ASP   1           HT1      ASP   1   9.562   3.129   3.129
    4    HA   ASP   1           HA       ASP   1   8.346   2.155   2.155
    5   1HB   ASP   1           HB2      ASP   1   9.149   4.946   4.946
    6   2HB   ASP   1           HB1      ASP   1   8.627   4.569   4.569
    7    H    ASP   2           HN       ASP   2  10.393   0.690   0.690
    8    HA   ASP   2           HA       ASP   2  10.734   1.215   1.215
    9   1HB   ASP   2           HB2      ASP   2  12.920   1.276   1.276
   10   2HB   ASP   2           HB1      ASP   2  13.308   0.867   0.867
   11    H    GLY   3           HN       GLY   3  12.348  -0.705  -0.705
   12   1HA   GLY   3           HA2      GLY   3  12.678  -3.107  -3.107
   13   2HA   GLY   3           HA1      GLY   3  11.021  -3.179  -3.179
   14    H    LEU   4           HN       LEU   4  11.750  -4.996  -4.996
   15    HA   LEU   4           HA       LEU   4  13.177  -4.088  -4.088
   16   1HB   LEU   4           HB2      LEU   4  13.244  -6.887  -6.887
   17   2HB   LEU   4           HB1      LEU   4  14.385  -6.115  -6.115
   18    HG   LEU   4           HG       LEU   4  13.970  -5.072  -5.072
   19   1HD1  LEU   4          HD13      LEU   4  15.139  -7.600  -7.600
   20   2HD1  LEU   4          HD12      LEU   4  16.382  -6.540  -6.540
   21   3HD1  LEU   4          HD11      LEU   4  14.945  -6.921  -6.921
   22   1HD2  LEU   4          HD23      LEU   4  15.872  -4.661  -4.661
   23   2HD2  LEU   4          HD22      LEU   4  15.268  -3.501  -3.501
   24   3HD2  LEU   4          HD21      LEU   4  16.554  -4.624  -4.624
   25    H    CYS   5           HN       CYS   5  12.655  -5.987  -5.987
   26    HA   CYS   5           HA       CYS   5   9.777  -6.821  -6.821
   27   1HB   CYS   5           HB2      CYS   5  10.059  -4.555  -4.555
   28   2HB   CYS   5           HB1      CYS   5  10.830  -5.430  -5.430
   29    H    TYR   6           HN       TYR   6   9.168  -8.542  -8.542
   30    HA   TYR   6           HA       TYR   6  11.347  -9.918  -9.918
   31   1HB   TYR   6           HB2      TYR   6  10.875 -11.987 -11.987
   32   2HB   TYR   6           HB1      TYR   6  11.016 -10.770 -10.770
   33    HD1  TYR   6           HD1      TYR   6   8.665 -12.811 -12.811
   34    HD2  TYR   6           HD2      TYR   6   9.144 -10.188 -10.188
   35    HE1  TYR   6           HE1      TYR   6   6.402 -13.431 -13.431
   36    HE2  TYR   6           HE2      TYR   6   6.869 -10.797 -10.797
   37    HH   TYR   6           HH       TYR   6   5.221 -12.419 -12.419
   38    H    GLU   7           HN       GLU   7  10.317 -11.589 -11.589
   39    HA   GLU   7           HA       GLU   7   7.583 -10.583 -10.583
   40   1HB   GLU   7           HB2      GLU   7   8.316 -10.686 -10.686
   41   2HB   GLU   7           HB1      GLU   7   9.714 -10.056 -10.056
   42   1HG   GLU   7           HG2      GLU   7  10.441 -12.549 -12.549
   43   2HG   GLU   7           HG1      GLU   7   9.191 -12.778 -12.778
   44    H    GLY   8           HN       GLY   8   6.054 -12.061 -12.061
   45   1HA   GLY   8           HA2      GLY   8   6.132 -14.577 -14.577
   46   2HA   GLY   8           HA1      GLY   8   6.559 -14.867 -14.867
   47    H    THR   9           HN       THR   9   4.805 -15.439 -15.439
   48    HA   THR   9           HA       THR   9   2.232 -14.022 -14.022
   49    HB   THR   9           HB       THR   9   2.812 -16.927 -16.927
   50    HG1  THR   9           HG1      THR   9   2.660 -16.342 -16.342
   51   1HG2  THR   9          HG22      THR   9   0.629 -16.194 -16.194
   52   2HG2  THR   9          HG21      THR   9   0.038 -15.857 -15.857
   53   3HG2  THR   9          HG23      THR   9   0.577 -17.481 -17.481
   54    H    ASN  10           HN       ASN  10   4.407 -14.685 -14.685
   55    HA   ASN  10           HA       ASN  10   3.089 -16.510 -16.510
   56   1HB   ASN  10           HB2      ASN  10   5.514 -15.982 -15.982
   57   2HB   ASN  10           HB1      ASN  10   5.193 -14.422 -14.422
   58   1HD2  ASN  10          HD22      ASN  10   5.012 -15.837 -15.837
   59   2HD2  ASN  10          HD21      ASN  10   4.972 -14.388 -14.388
   60    H    CYS  11           HN       CYS  11   2.361 -13.342 -13.342
   61    HA   CYS  11           HA       CYS  11   0.867 -13.081 -13.081
   62   1HB   CYS  11           HB2      CYS  11   2.460 -11.092 -11.092
   63   2HB   CYS  11           HB1      CYS  11   1.214 -10.538 -10.538
   64    H    GLY  12           HN       GLY  12   0.236 -14.168 -14.168
   65   1HA   GLY  12           HA2      GLY  12  -1.813 -14.237 -14.237
   66   2HA   GLY  12           HA1      GLY  12  -2.367 -12.929 -12.929
   67    H    LYS  13           HN       LYS  13   0.600 -12.150 -12.150
   68    HA   LYS  13           HA       LYS  13  -0.627 -10.179 -10.179
   69   1HB   LYS  13           HB2      LYS  13   1.478  -9.141  -9.141
   70   2HB   LYS  13           HB1      LYS  13   1.221  -9.880  -9.880
   71   1HG   LYS  13           HG2      LYS  13   2.471 -11.918 -11.918
   72   2HG   LYS  13           HG1      LYS  13   2.967 -10.865 -10.865
   73   1HD   LYS  13           HD2      LYS  13   3.577  -9.276  -9.276
   74   2HD   LYS  13           HD1      LYS  13   3.779 -10.851 -10.851
   75   1HE   LYS  13           HE2      LYS  13   4.968 -10.809 -10.809
   76   2HE   LYS  13           HE1      LYS  13   5.680  -9.581  -9.581
   77   1HZ   LYS  13           HZ1      LYS  13   5.600 -11.454 -11.454
   78   2HZ   LYS  13           HZ3      LYS  13   5.489 -12.496 -12.496
   79   3HZ   LYS  13           HZ2      LYS  13   6.841 -11.480 -11.480
   80    H    VAL  14           HN       VAL  14  -1.235 -12.422 -12.422
   81    HA   VAL  14           HA       VAL  14   0.670 -13.666 -13.666
   82    HB   VAL  14           HB       VAL  14  -2.342 -13.436 -13.436
   83   1HG1  VAL  14          HG12      VAL  14  -1.424 -13.711 -13.711
   84   2HG1  VAL  14          HG11      VAL  14  -0.918 -15.319 -15.319
   85   3HG1  VAL  14          HG13      VAL  14  -2.626 -14.878 -14.878
   86   1HG2  VAL  14          HG22      VAL  14  -0.733 -14.897 -14.897
   87   2HG2  VAL  14          HG21      VAL  14  -2.287 -15.525 -15.525
   88   3HG2  VAL  14          HG23      VAL  14  -0.805 -16.002 -16.002
   89    H    GLY  15           HN       GLY  15   1.722 -12.417 -12.417
   90   1HA   GLY  15           HA2      GLY  15   1.560 -11.338 -11.338
   91   2HA   GLY  15           HA1      GLY  15  -0.024 -10.714 -10.714
   92    H    LYS  16           HN       LYS  16   1.055  -9.935  -9.935
   93    HA   LYS  16           HA       LYS  16   2.511  -7.477  -7.477
   94   1HB   LYS  16           HB2      LYS  16   0.727  -7.947  -7.947
   95   2HB   LYS  16           HB1      LYS  16   1.537  -6.432  -6.432
   96   1HG   LYS  16           HG2      LYS  16   0.348  -6.355  -6.355
   97   2HG   LYS  16           HG1      LYS  16  -0.513  -7.834  -7.834
   98   1HD   LYS  16           HD2      LYS  16  -0.592  -5.288  -5.288
   99   2HD   LYS  16           HD1      LYS  16  -1.824  -5.740  -5.740
  100   1HE   LYS  16           HE2      LYS  16  -2.085  -7.932  -7.932
  101   2HE   LYS  16           HE1      LYS  16  -1.095  -7.193  -7.193
  102   1HZ   LYS  16           HZ1      LYS  16  -2.660  -5.220  -5.220
  103   2HZ   LYS  16           HZ3      LYS  16  -3.697  -6.272  -6.272
  104   3HZ   LYS  16           HZ2      LYS  16  -3.275  -6.598  -6.598
  105    H    TYR  17           HN       TYR  17   2.927  -7.270  -7.270
  106    HA   TYR  17           HA       TYR  17   5.029  -9.343  -9.343
  107   1HB   TYR  17           HB2      TYR  17   5.641  -6.392  -6.392
  108   2HB   TYR  17           HB1      TYR  17   6.761  -7.763  -7.763
  109    HD1  TYR  17           HD1      TYR  17   4.217  -5.989  -5.989
  110    HD2  TYR  17           HD2      TYR  17   7.560  -8.637  -8.637
  111    HE1  TYR  17           HE1      TYR  17   4.341  -5.999  -5.999
  112    HE2  TYR  17           HE2      TYR  17   7.713  -8.650  -8.650
  113    HH   TYR  17           HH       TYR  17   5.301  -7.707  -7.707
  114    H    CYS  18           HN       CYS  18   6.170  -8.931  -8.931
  115    HA   CYS  18           HA       CYS  18   4.069  -7.866  -7.866
  116   1HB   CYS  18           HB2      CYS  18   5.422 -10.589 -10.589
  117   2HB   CYS  18           HB1      CYS  18   4.551  -9.982  -9.982
  118    H    CYS  19           HN       CYS  19   4.945  -7.380  -7.380
  119    HA   CYS  19           HA       CYS  19   7.904  -7.131  -7.131
  120   1HB   CYS  19           HB2      CYS  19   7.317  -4.765  -4.765
  121   2HB   CYS  19           HB1      CYS  19   7.205  -5.032  -5.032
  122    H    SER  20           HN       SER  20   8.634  -8.052  -8.052
  123    HA   SER  20           HA       SER  20   7.478  -7.415  -7.415
  124   1HB   SER  20           HB2      SER  20   7.070  -9.998  -9.998
  125   2HB   SER  20           HB1      SER  20   5.834  -9.080  -9.080
  126    HG   SER  20           HG       SER  20   7.499 -11.080 -11.080
  127    HA   PRO  21           HA       PRO  21  11.807  -8.354  -8.354
  128   1HB   PRO  21           HB2      PRO  21  12.173  -7.196  -7.196
  129   2HB   PRO  21           HB1      PRO  21  12.070  -6.266  -6.266
  130   1HG   PRO  21           HG2      PRO  21   9.996  -6.646  -6.646
  131   2HG   PRO  21           HG1      PRO  21  10.315  -5.252  -5.252
  132   1HD   PRO  21           HD2      PRO  21   8.300  -7.159  -7.159
  133   2HD   PRO  21           HD1      PRO  21   8.881  -6.033  -6.033
  134    H    ILE  22           HN       ILE  22   9.289  -9.819  -9.819
  135    HA   ILE  22           HA       ILE  22  10.900 -11.949 -11.949
  136    HB   ILE  22           HB       ILE  22  10.641  -9.958  -9.958
  137   1HG1  ILE  22          HG12      ILE  22   9.931 -12.837 -12.837
  138   2HG1  ILE  22          HG11      ILE  22  11.455 -11.994 -11.994
  139   1HG2  ILE  22          HG23      ILE  22   7.969 -10.500 -10.500
  140   2HG2  ILE  22          HG22      ILE  22   8.133 -10.979 -10.979
  141   3HG2  ILE  22          HG21      ILE  22   8.541  -9.336  -9.336
  142   1HD1  ILE  22          HD12      ILE  22  10.209 -10.480 -10.480
  143   2HD1  ILE  22          HD11      ILE  22   8.800 -11.524 -11.524
  144   3HD1  ILE  22          HD13      ILE  22  10.280 -12.165 -12.165
  145    H    GLY  23           HN       GLY  23   8.484 -11.003 -11.003
  146   1HA   GLY  23           HA2      GLY  23   6.592 -12.160 -12.160
  147   2HA   GLY  23           HA1      GLY  23   7.009 -13.499 -13.499
  148    H    LYS  24           HN       LYS  24   6.941 -10.632 -10.632
  149    HA   LYS  24           HA       LYS  24   4.494 -11.405 -11.405
  150   1HB   LYS  24           HB2      LYS  24   5.159  -9.761  -9.761
  151   2HB   LYS  24           HB1      LYS  24   6.604 -10.628 -10.628
  152   1HG   LYS  24           HG2      LYS  24   6.949  -8.759  -8.759
  153   2HG   LYS  24           HG1      LYS  24   5.695  -7.871  -7.871
  154   1HD   LYS  24           HD2      LYS  24   8.086  -9.021  -9.021
  155   2HD   LYS  24           HD1      LYS  24   8.141  -7.425  -7.425
  156   1HE   LYS  24           HE2      LYS  24   6.767  -6.497  -6.497
  157   2HE   LYS  24           HE1      LYS  24   5.768  -7.959  -7.959
  158   1HZ   LYS  24           HZ1      LYS  24   8.532  -8.272  -8.272
  159   2HZ   LYS  24           HZ3      LYS  24   7.613  -7.262  -7.262
  160   3HZ   LYS  24           HZ2      LYS  24   7.115  -8.863  -8.863
  161    H    TYR  25           HN       TYR  25   5.554  -8.789  -8.789
  162    HA   TYR  25           HA       TYR  25   3.007  -7.325  -7.325
  163   1HB   TYR  25           HB2      TYR  25   5.561  -7.000  -7.000
  164   2HB   TYR  25           HB1      TYR  25   4.163  -5.966  -5.966
  165    HD1  TYR  25           HD2      TYR  25   3.192  -4.614  -4.614
  166    HD2  TYR  25           HD1      TYR  25   6.959  -6.649  -6.649
  167    HE1  TYR  25           HE2      TYR  25   3.803  -3.208  -3.208
  168    HE2  TYR  25           HE1      TYR  25   7.583  -5.235  -5.235
  169    HH   TYR  25           HH       TYR  25   6.802  -3.782  -3.782
  170    H    CYS  26           HN       CYS  26   4.580  -9.429  -9.429
  171    HA   CYS  26           HA       CYS  26   3.747 -10.111 -10.111
  172   1HB   CYS  26           HB2      CYS  26   2.805 -11.499 -11.499
  173   2HB   CYS  26           HB1      CYS  26   1.285 -10.654 -10.654
  174    H    VAL  27           HN       VAL  27   3.554  -7.500  -7.500
  175    HA   VAL  27           HA       VAL  27   0.669  -6.871  -6.871
  176    HB   VAL  27           HB       VAL  27   3.086  -5.119  -5.119
  177   1HG1  VAL  27          HG11      VAL  27   0.440  -4.589  -4.589
  178   2HG1  VAL  27          HG13      VAL  27   0.879  -3.509  -3.509
  179   3HG1  VAL  27          HG12      VAL  27   1.925  -3.641  -3.641
  180   1HG2  VAL  27          HG23      VAL  27   1.962  -6.372  -6.372
  181   2HG2  VAL  27          HG22      VAL  27   2.000  -4.617  -4.617
  182   3HG2  VAL  27          HG21      VAL  27   0.516  -5.424  -5.424
  183    H    CYS  28           HN       CYS  28   0.275  -7.052  -7.052
  184    HA   CYS  28           HA       CYS  28   2.599  -6.600  -6.600
  185   1HB   CYS  28           HB2      CYS  28   0.058  -8.173  -8.173
  186   2HB   CYS  28           HB1      CYS  28   1.558  -8.284  -8.284
  187    H    TYR  29           HN       TYR  29   2.092  -5.754  -5.754
  188    HA   TYR  29           HA       TYR  29  -0.402  -4.175  -4.175
  189   1HB   TYR  29           HB2      TYR  29   2.406  -3.117  -3.117
  190   2HB   TYR  29           HB1      TYR  29   0.963  -2.217  -2.217
  191    HD1  TYR  29           HD1      TYR  29   2.655  -4.013  -4.013
  192    HD2  TYR  29           HD2      TYR  29  -0.287  -1.128  -1.128
  193    HE1  TYR  29           HE1      TYR  29   2.442  -3.344  -3.344
  194    HE2  TYR  29           HE2      TYR  29  -0.521  -0.433  -0.433
  195    HH   TYR  29           HH       TYR  29   0.369  -0.619  -0.619
  196    H    ASP  30           HN       ASP  30  -0.399  -3.203  -3.203
  197    HA   ASP  30           HA       ASP  30   0.566  -5.208  -5.208
  198   1HB   ASP  30           HB2      ASP  30  -0.746  -4.063  -4.063
  199   2HB   ASP  30           HB1      ASP  30  -1.616  -3.879  -3.879
  200    H    SER  31           HN       SER  31   1.344  -1.844  -1.844
  201    HA   SER  31           HA       SER  31   3.478  -1.674  -1.674
  202   1HB   SER  31           HB2      SER  31   3.128   0.133   0.133
  203   2HB   SER  31           HB1      SER  31   3.708   0.531   0.531
  204    HG   SER  31           HG       SER  31   1.729   0.804   0.804
  205    H    LYS  32           HN       LYS  32   5.111  -3.366  -3.366
  206    HA   LYS  32           HA       LYS  32   5.882  -4.269  -4.269
  207   1HB   LYS  32           HB2      LYS  32   8.024  -4.770  -4.770
  208   2HB   LYS  32           HB1      LYS  32   6.931  -4.640  -4.640
  209   1HG   LYS  32           HG2      LYS  32   7.726  -2.512  -2.512
  210   2HG   LYS  32           HG1      LYS  32   8.428  -2.225  -2.225
  211   1HD   LYS  32           HD2      LYS  32  10.310  -2.746  -2.746
  212   2HD   LYS  32           HD1      LYS  32   9.970  -4.256  -4.256
  213   1HE   LYS  32           HE2      LYS  32   8.579  -5.013  -5.013
  214   2HE   LYS  32           HE1      LYS  32   9.107  -3.559  -3.559
  215   1HZ   LYS  32           HZ1      LYS  32  11.097  -5.262  -5.262
  216   2HZ   LYS  32           HZ3      LYS  32  10.510  -5.717  -5.717
  217   3HZ   LYS  32           HZ2      LYS  32  11.299  -4.224  -4.224
  218    H    ALA  33           HN       ALA  33   6.589  -1.131  -1.131
  219    HA   ALA  33           HA       ALA  33   8.215   0.008   0.008
  220   1HB   ALA  33           HB3      ALA  33   7.546   0.906   0.906
  221   2HB   ALA  33           HB2      ALA  33   5.972   1.297   1.297
  222   3HB   ALA  33           HB1      ALA  33   7.426   2.096   2.096
  223    H    ILE  34           HN       ILE  34   4.590  -0.198  -0.198
  224    HA   ILE  34           HA       ILE  34   4.003   1.245   1.245
  225    HB   ILE  34           HB       ILE  34   2.828  -0.948  -0.948
  226   1HG1  ILE  34          HG12      ILE  34   2.407   1.995   1.995
  227   2HG1  ILE  34          HG11      ILE  34   2.650   1.103   1.103
  228   1HG2  ILE  34          HG22      ILE  34   1.975   0.012   0.012
  229   2HG2  ILE  34          HG21      ILE  34   0.698  -0.171  -0.171
  230   3HG2  ILE  34          HG23      ILE  34   1.700  -1.554  -1.554
  231   1HD1  ILE  34          HD11      ILE  34   0.402  -0.072  -0.072
  232   2HD1  ILE  34          HD13      ILE  34   0.194   1.491   1.491
  233   3HD1  ILE  34          HD12      ILE  34   0.389   1.399   1.399
  234    H    CYS  35           HN       CYS  35   5.305  -1.801  -1.801
  235    HA   CYS  35           HA       CYS  35   4.842  -3.055  -3.055
  236   1HB   CYS  35           HB2      CYS  35   5.712  -4.309  -4.309
  237   2HB   CYS  35           HB1      CYS  35   7.198  -3.288  -3.288
  238    H    ASN  36           HN       ASN  36   7.964  -1.806  -1.806
  239    HA   ASN  36           HA       ASN  36   9.107  -1.261  -1.261
  240   1HB   ASN  36           HB2      ASN  36   9.473   0.094   0.094
  241   2HB   ASN  36           HB1      ASN  36  10.594   0.254   0.254
  242   1HD2  ASN  36          HD22      ASN  36  12.244  -2.510  -2.510
  243   2HD2  ASN  36          HD21      ASN  36  12.284  -0.828  -0.828
  244    H    LYS  37           HN       LYS  37   7.505   1.041   1.041
  245    HA   LYS  37           HA       LYS  37   7.560   3.356   3.356
  246   1HB   LYS  37           HB2      LYS  37   7.086   3.193   3.193
  247   2HB   LYS  37           HB1      LYS  37   5.553   2.408   2.408
  248   1HG   LYS  37           HG2      LYS  37   6.252   5.130   5.130
  249   2HG   LYS  37           HG1      LYS  37   5.481   4.944   4.944
  250   1HD   LYS  37           HD2      LYS  37   3.826   3.383   3.383
  251   2HD   LYS  37           HD1      LYS  37   4.385   4.386   4.386
  252   1HE   LYS  37           HE2      LYS  37   2.956   5.273   5.273
  253   2HE   LYS  37           HE1      LYS  37   2.497   5.572   5.572
  254   1HZ   LYS  37           HZ2      LYS  37   5.144   6.445   6.445
  255   2HZ   LYS  37           HZ1      LYS  37   3.794   7.380   7.380
  256   3HZ   LYS  37           HZ3      LYS  37   4.145   7.113   7.113
  257    H    ASN  38           HN       ASN  38   4.458   1.900   1.900
  258    HA   ASN  38           HA       ASN  38   3.130   2.895   2.895
  259   1HB   ASN  38           HB2      ASN  38   2.802   0.764   0.764
  260   2HB   ASN  38           HB1      ASN  38   1.559   1.029   1.029
  261   1HD2  ASN  38          HD22      ASN  38   1.918   3.554   3.554
  262   2HD2  ASN  38          HD21      ASN  38   2.918   2.188   2.188
  263    H    CYS  39           HN       CYS  39   4.733  -0.130  -0.130
  264    HA   CYS  39           HA       CYS  39   3.906  -1.664  -1.664
  265   1HB   CYS  39           HB2      CYS  39   6.526  -1.397  -1.397
  266   2HB   CYS  39           HB1      CYS  39   6.330  -2.563  -2.563
  267    H    THR  40           HN       THR  40   6.098   1.077   1.077
  268    HA   THR  40           HA       THR  40   7.158   0.644   0.644
  269    HB   THR  40           HB       THR  40   7.911   3.090   3.090
  270    HG1  THR  40           HG1      THR  40   6.832   3.928   3.928
  271   1HG2  THR  40          HG22      THR  40   8.655   0.637   0.637
  272   2HG2  THR  40          HG21      THR  40   9.370   2.184   2.184
  273   3HG2  THR  40          HG23      THR  40   9.615   1.546   1.546