*HEADER   ALLERGEN                                24-APR-98   3BBG    
*TITLE    MULTI-CONFORMER STRUCTURE OF RAGWEED POLLEN ALLERGEN FROM   
*TITLE   2 AMBROSIA TRIFIDA V, NMR, 2 STRUCTURES                      
*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, 2 STRUCTURES                                           
*AUTHOR   G.L.WARREN,C.J.TUNER,G.A.PETSKO,A.T.BRUNGER                 
*REVDAT  1   17-JUN-98 3BBG    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 23   and name HN  ))
        ((segid "    " and resid 40   and name HA  ))
        3.7837    1.5135    1.5135 { previous:     7.3912    2.9565    2.9565 }
 
 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 23   and name HN  ))
        ((segid "    " and resid 10   and name HD22))
        3.7837    1.5135    1.5135 { previous:     3.6000    1.4000    1.4000 }
 
 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
  Start of MODEL    1
    1   1H    ASP   1           HT3      ASP   1  10.767  23.107  12.051
    2   2H    ASP   1           HT2      ASP   1  10.134  24.612  11.581
    3   3H    ASP   1           HT1      ASP   1  11.750  24.487  12.090
    4    HA   ASP   1           HA       ASP   1  11.171  24.160  14.323
    5   1HB   ASP   1           HB2      ASP   1   9.690  26.214  12.737
    6   2HB   ASP   1           HB1      ASP   1   9.289  26.066  14.449
    7    H    ASP   2           HN       ASP   2   8.515  23.531  12.108
    8    HA   ASP   2           HA       ASP   2   6.701  22.662  14.286
    9   1HB   ASP   2           HB2      ASP   2   6.536  22.764  11.213
   10   2HB   ASP   2           HB1      ASP   2   5.233  22.108  12.213
   11    H    GLY   3           HN       GLY   3   8.563  21.042  14.855
   12   1HA   GLY   3           HA2      GLY   3   7.738  18.422  14.443
   13   2HA   GLY   3           HA1      GLY   3   8.911  18.704  13.165
   14    H    LEU   4           HN       LEU   4  10.124  16.963  14.345
   15    HA   LEU   4           HA       LEU   4  11.765  18.125  16.569
   16   1HB   LEU   4           HB2      LEU   4  10.880  15.229  16.344
   17   2HB   LEU   4           HB1      LEU   4  11.658  16.006  17.715
   18    HG   LEU   4           HG       LEU   4   8.959  16.936  16.721
   19   1HD1  LEU   4          HD12      LEU   4   9.660  14.613  18.502
   20   2HD1  LEU   4          HD11      LEU   4   8.151  15.497  18.733
   21   3HD1  LEU   4          HD13      LEU   4   8.473  14.689  17.198
   22   1HD2  LEU   4          HD22      LEU   4  10.719  17.369  19.094
   23   2HD2  LEU   4          HD21      LEU   4   9.661  18.509  18.259
   24   3HD2  LEU   4          HD23      LEU   4   8.980  17.328  19.378
   25    H    CYS   5           HN       CYS   5  13.809  16.479  16.850
   26    HA   CYS   5           HA       CYS   5  14.688  15.333  14.223
   27   1HB   CYS   5           HB2      CYS   5  15.243  17.811  14.266
   28   2HB   CYS   5           HB1      CYS   5  16.301  17.486  15.641
   29    H    TYR   6           HN       TYR   6  15.816  13.510  14.630
   30    HA   TYR   6           HA       TYR   6  17.390  13.299  17.157
   31   1HB   TYR   6           HB2      TYR   6  16.276  11.150  17.678
   32   2HB   TYR   6           HB1      TYR   6  15.118  12.464  17.598
   33    HD1  TYR   6           HD1      TYR   6  16.427   9.460  15.862
   34    HD2  TYR   6           HD2      TYR   6  13.422  12.552  15.915
   35    HE1  TYR   6           HE1      TYR   6  15.082   8.170  14.196
   36    HE2  TYR   6           HE2      TYR   6  12.069  11.275  14.242
   37    HH   TYR   6           HH       TYR   6  12.642   9.463  12.397
   38    H    GLU   7           HN       GLU   7  18.569  10.935  16.982
   39    HA   GLU   7           HA       GLU   7  19.624  10.812  14.174
   40   1HB   GLU   7           HB2      GLU   7  21.778  10.573  15.137
   41   2HB   GLU   7           HB1      GLU   7  20.999  11.804  16.117
   42   1HG   GLU   7           HG2      GLU   7  20.369   9.832  17.699
   43   2HG   GLU   7           HG1      GLU   7  21.577   8.929  16.735
   44    H    GLY   8           HN       GLY   8  20.190   8.765  13.374
   45   1HA   GLY   8           HA2      GLY   8  20.355   6.321  14.469
   46   2HA   GLY   8           HA1      GLY   8  18.607   6.538  14.490
   47    H    THR   9           HN       THR   9  17.520   5.892  12.609
   48    HA   THR   9           HA       THR   9  18.921   5.932  10.004
   49    HB   THR   9           HB       THR   9  17.919   3.497  11.449
   50    HG1  THR   9           HG1      THR   9  19.853   3.410  12.205
   51   1HG2  THR   9          HG22      THR   9  18.772   3.947   8.644
   52   2HG2  THR   9          HG21      THR   9  19.461   2.526   9.428
   53   3HG2  THR   9          HG23      THR   9  17.711   2.709   9.315
   54    H    ASN  10           HN       ASN  10  16.193   6.943  11.343
   55    HA   ASN  10           HA       ASN  10  14.119   5.321  10.171
   56   1HB   ASN  10           HB2      ASN  10  13.850   6.619  12.179
   57   2HB   ASN  10           HB1      ASN  10  14.124   8.123  11.310
   58   1HD2  ASN  10          HD22      ASN  10  10.694   8.319  10.222
   59   2HD2  ASN  10          HD21      ASN  10  12.253   9.115  10.290
   60    H    CYS  11           HN       CYS  11  16.018   7.732   8.741
   61    HA   CYS  11           HA       CYS  11  14.248   7.601   6.327
   62   1HB   CYS  11           HB2      CYS  11  15.397  10.011   7.717
   63   2HB   CYS  11           HB1      CYS  11  14.997  10.090   5.994
   64    H    GLY  12           HN       GLY  12  16.728   6.254   7.178
   65   1HA   GLY  12           HA2      GLY  12  18.586   5.483   5.920
   66   2HA   GLY  12           HA1      GLY  12  18.044   6.559   4.629
   67    H    LYS  13           HN       LYS  13  18.548   7.883   7.794
   68    HA   LYS  13           HA       LYS  13  20.592   9.680   6.745
   69   1HB   LYS  13           HB2      LYS  13  20.074  10.937   8.682
   70   2HB   LYS  13           HB1      LYS  13  18.595  10.201   8.105
   71   1HG   LYS  13           HG2      LYS  13  19.137   8.277   9.762
   72   2HG   LYS  13           HG1      LYS  13  20.244   9.430  10.486
   73   1HD   LYS  13           HD2      LYS  13  18.361  11.032  10.640
   74   2HD   LYS  13           HD1      LYS  13  17.285   9.759  10.102
   75   1HE   LYS  13           HE2      LYS  13  18.623   8.524  12.127
   76   2HE   LYS  13           HE1      LYS  13  18.528  10.171  12.737
   77   1HZ   LYS  13           HZ3      LYS  13  16.133   9.056  11.473
   78   2HZ   LYS  13           HZ2      LYS  13  16.553   8.474  13.005
   79   3HZ   LYS  13           HZ1      LYS  13  16.276  10.132  12.779
   80    H    VAL  14           HN       VAL  14  21.642   7.159   6.863
   81    HA   VAL  14           HA       VAL  14  23.166   6.618   9.276
   82    HB   VAL  14           HB       VAL  14  23.437   5.881   6.337
   83   1HG1  VAL  14          HG13      VAL  14  25.132   5.039   8.696
   84   2HG1  VAL  14          HG12      VAL  14  24.947   3.999   7.285
   85   3HG1  VAL  14          HG11      VAL  14  25.661   5.602   7.110
   86   1HG2  VAL  14          HG23      VAL  14  21.541   5.026   7.993
   87   2HG2  VAL  14          HG22      VAL  14  22.296   3.930   6.837
   88   3HG2  VAL  14          HG21      VAL  14  22.817   3.928   8.521
   89    H    GLY  15           HN       GLY  15  24.673   8.162  10.040
   90   1HA   GLY  15           HA2      GLY  15  26.909   9.160   9.643
   91   2HA   GLY  15           HA1      GLY  15  26.455   9.382   7.955
   92    H    LYS  16           HN       LYS  16  23.679  10.442   8.883
   93    HA   LYS  16           HA       LYS  16  24.599  13.070  10.010
   94   1HB   LYS  16           HB2      LYS  16  22.693  12.685   7.704
   95   2HB   LYS  16           HB1      LYS  16  23.297  14.211   8.344
   96   1HG   LYS  16           HG2      LYS  16  25.638  13.385   7.797
   97   2HG   LYS  16           HG1      LYS  16  24.869  12.086   6.884
   98   1HD   LYS  16           HD2      LYS  16  23.703  14.668   6.196
   99   2HD   LYS  16           HD1      LYS  16  25.450  14.682   5.966
  100   1HE   LYS  16           HE2      LYS  16  24.657  13.857   3.898
  101   2HE   LYS  16           HE1      LYS  16  25.055  12.369   4.779
  102   1HZ   LYS  16           HZ1      LYS  16  22.384  13.674   4.735
  103   2HZ   LYS  16           HZ3      LYS  16  22.806  12.287   3.854
  104   3HZ   LYS  16           HZ2      LYS  16  22.780  12.238   5.552
  105    H    TYR  17           HN       TYR  17  21.580  14.013   9.659
  106    HA   TYR  17           HA       TYR  17  20.381  12.063  11.586
  107   1HB   TYR  17           HB2      TYR  17  20.298  15.056  12.137
  108   2HB   TYR  17           HB1      TYR  17  19.986  13.689  13.228
  109    HD1  TYR  17           HD2      TYR  17  21.830  12.194  13.960
  110    HD2  TYR  17           HD1      TYR  17  22.592  15.882  11.864
  111    HE1  TYR  17           HE2      TYR  17  24.166  12.135  14.765
  112    HE2  TYR  17           HE1      TYR  17  24.949  15.865  12.692
  113    HH   TYR  17           HH       TYR  17  26.612  13.856  13.476
  114    H    CYS  18           HN       CYS  18  17.863  12.813  12.035
  115    HA   CYS  18           HA       CYS  18  16.789  13.899   9.447
  116   1HB   CYS  18           HB2      CYS  18  16.102  11.316  10.893
  117   2HB   CYS  18           HB1      CYS  18  15.134  11.979   9.575
  118    H    CYS  19           HN       CYS  19  14.420  14.214   9.570
  119    HA   CYS  19           HA       CYS  19  13.427  14.909  12.308
  120   1HB   CYS  19           HB2      CYS  19  12.561  16.998  10.986
  121   2HB   CYS  19           HB1      CYS  19  14.279  16.919  11.403
  122    H    SER  20           HN       SER  20  11.529  13.766  12.554
  123    HA   SER  20           HA       SER  20   9.464  13.850  10.476
  124   1HB   SER  20           HB2      SER  20   9.534  11.451  10.015
  125   2HB   SER  20           HB1      SER  20  11.129  12.139   9.718
  126    HG   SER  20           HG       SER  20  11.802  11.363  11.701
  127    HA   PRO  21           HA       PRO  21   7.592  13.253  14.580
  128   1HB   PRO  21           HB2      PRO  21   5.159  14.333  13.925
  129   2HB   PRO  21           HB1      PRO  21   6.556  15.325  14.392
  130   1HG   PRO  21           HG2      PRO  21   5.480  14.739  11.674
  131   2HG   PRO  21           HG1      PRO  21   6.142  16.248  12.329
  132   1HD   PRO  21           HD2      PRO  21   7.543  14.560  10.705
  133   2HD   PRO  21           HD1      PRO  21   8.307  15.627  11.901
  134    H    ILE  22           HN       ILE  22   6.489  12.440  11.354
  135    HA   ILE  22           HA       ILE  22   5.438   9.859  12.333
  136    HB   ILE  22           HB       ILE  22   3.471  11.264  12.361
  137   1HG1  ILE  22          HG12      ILE  22   3.451   9.745   9.737
  138   2HG1  ILE  22          HG11      ILE  22   3.235   8.999  11.320
  139   1HG2  ILE  22          HG21      ILE  22   4.584  12.984  10.729
  140   2HG2  ILE  22          HG23      ILE  22   3.809  12.021   9.472
  141   3HG2  ILE  22          HG22      ILE  22   2.833  12.796  10.718
  142   1HD1  ILE  22          HD12      ILE  22   1.488  11.270  10.352
  143   2HD1  ILE  22          HD11      ILE  22   1.091   9.578  10.052
  144   3HD1  ILE  22          HD13      ILE  22   1.196  10.179  11.707
  145    H    GLY  23           HN       GLY  23   5.858  11.875   9.419
  146   1HA   GLY  23           HA2      GLY  23   7.822  10.470   8.191
  147   2HA   GLY  23           HA1      GLY  23   6.399   9.586   7.715
  148    H    LYS  24           HN       LYS  24   4.797  12.168   7.728
  149    HA   LYS  24           HA       LYS  24   4.784  12.725   4.988
  150   1HB   LYS  24           HB2      LYS  24   3.501  14.697   5.600
  151   2HB   LYS  24           HB1      LYS  24   3.089  13.382   6.693
  152   1HG   LYS  24           HG2      LYS  24   4.886  14.366   8.264
  153   2HG   LYS  24           HG1      LYS  24   4.806  15.800   7.237
  154   1HD   LYS  24           HD2      LYS  24   2.244  14.623   8.245
  155   2HD   LYS  24           HD1      LYS  24   3.226  15.580   9.355
  156   1HE   LYS  24           HE2      LYS  24   2.766  17.538   8.262
  157   2HE   LYS  24           HE1      LYS  24   2.845  16.772   6.663
  158   1HZ   LYS  24           HZ3      LYS  24   0.657  16.320   8.623
  159   2HZ   LYS  24           HZ2      LYS  24   0.560  17.419   7.330
  160   3HZ   LYS  24           HZ1      LYS  24   0.726  15.756   7.024
  161    H    TYR  25           HN       TYR  25   7.075  13.811   7.373
  162    HA   TYR  25           HA       TYR  25   8.269  15.803   5.533
  163   1HB   TYR  25           HB2      TYR  25   8.703  14.984   8.418
  164   2HB   TYR  25           HB1      TYR  25   9.658  16.224   7.607
  165    HD1  TYR  25           HD1      TYR  25   8.452  18.262   6.612
  166    HD2  TYR  25           HD2      TYR  25   6.541  15.463   9.311
  167    HE1  TYR  25           HE1      TYR  25   6.682  19.956   7.115
  168    HE2  TYR  25           HE2      TYR  25   4.774  17.159   9.819
  169    HH   TYR  25           HH       TYR  25   3.782  19.177   8.726
  170    H    CYS  26           HN       CYS  26   9.707  13.391   7.779
  171    HA   CYS  26           HA       CYS  26  11.671  12.077   7.565
  172   1HB   CYS  26           HB2      CYS  26   9.976  10.750   6.326
  173   2HB   CYS  26           HB1      CYS  26  10.399  11.605   4.841
  174    H    VAL  27           HN       VAL  27  12.487  14.493   7.380
  175    HA   VAL  27           HA       VAL  27  14.038  14.746   4.804
  176    HB   VAL  27           HB       VAL  27  13.370  16.968   6.736
  177   1HG1  VAL  27          HG13      VAL  27  15.073  16.974   4.698
  178   2HG1  VAL  27          HG12      VAL  27  13.599  17.181   3.756
  179   3HG1  VAL  27          HG11      VAL  27  14.025  18.360   4.997
  180   1HG2  VAL  27          HG21      VAL  27  11.686  15.819   4.487
  181   2HG2  VAL  27          HG23      VAL  27  11.208  16.084   6.162
  182   3HG2  VAL  27          HG22      VAL  27  11.464  17.461   5.091
  183    H    CYS  28           HN       CYS  28  16.170  14.280   5.066
  184    HA   CYS  28           HA       CYS  28  17.393  14.770   7.764
  185   1HB   CYS  28           HB2      CYS  28  18.233  12.858   5.573
  186   2HB   CYS  28           HB1      CYS  28  18.816  12.873   7.237
  187    H    TYR  29           HN       TYR  29  19.558  15.518   7.826
  188    HA   TYR  29           HA       TYR  29  20.795  16.492   5.324
  189   1HB   TYR  29           HB2      TYR  29  20.026  18.197   7.667
  190   2HB   TYR  29           HB1      TYR  29  20.992  18.716   6.302
  191    HD1  TYR  29           HD1      TYR  29  17.679  17.642   7.430
  192    HD2  TYR  29           HD2      TYR  29  20.025  19.261   4.194
  193    HE1  TYR  29           HE1      TYR  29  15.598  18.412   6.310
  194    HE2  TYR  29           HE2      TYR  29  17.949  19.996   3.026
  195    HH   TYR  29           HH       TYR  29  15.314  19.094   3.185
  196    H    ASP  30           HN       ASP  30  22.982  17.585   5.977
  197    HA   ASP  30           HA       ASP  30  24.335  15.869   7.906
  198   1HB   ASP  30           HB2      ASP  30  26.301  16.905   7.037
  199   2HB   ASP  30           HB1      ASP  30  25.209  16.625   5.684
  200    H    SER  31           HN       SER  31  23.291  19.258   7.761
  201    HA   SER  31           HA       SER  31  24.551  19.943  10.343
  202   1HB   SER  31           HB2      SER  31  22.419  21.467   8.924
  203   2HB   SER  31           HB1      SER  31  23.737  22.092   9.905
  204    HG   SER  31           HG       SER  31  23.760  21.110   7.270
  205    H    LYS  32           HN       LYS  32  23.578  18.763  12.132
  206    HA   LYS  32           HA       LYS  32  20.944  17.729  12.254
  207   1HB   LYS  32           HB2      LYS  32  21.373  17.568  14.638
  208   2HB   LYS  32           HB1      LYS  32  22.975  17.552  13.894
  209   1HG   LYS  32           HG2      LYS  32  23.405  19.814  14.519
  210   2HG   LYS  32           HG1      LYS  32  21.713  20.106  14.925
  211   1HD   LYS  32           HD2      LYS  32  22.646  19.746  17.061
  212   2HD   LYS  32           HD1      LYS  32  22.102  18.115  16.641
  213   1HE   LYS  32           HE2      LYS  32  24.401  17.591  15.770
  214   2HE   LYS  32           HE1      LYS  32  24.941  19.201  16.294
  215   1HZ   LYS  32           HZ1      LYS  32  23.998  18.624  18.529
  216   2HZ   LYS  32           HZ3      LYS  32  23.827  17.028  17.982
  217   3HZ   LYS  32           HZ2      LYS  32  25.371  17.729  18.082
  218    H    ALA  33           HN       ALA  33  22.077  21.056  12.619
  219    HA   ALA  33           HA       ALA  33  19.710  22.288  13.610
  220   1HB   ALA  33           HB1      ALA  33  22.050  23.258  13.447
  221   2HB   ALA  33           HB3      ALA  33  21.831  23.345  11.697
  222   3HB   ALA  33           HB2      ALA  33  20.814  24.318  12.763
  223    H    ILE  34           HN       ILE  34  20.889  21.705  10.182
  224    HA   ILE  34           HA       ILE  34  18.713  22.977   8.924
  225    HB   ILE  34           HB       ILE  34  20.662  20.823   8.252
  226   1HG1  ILE  34          HG12      ILE  34  20.253  23.715   7.410
  227   2HG1  ILE  34          HG11      ILE  34  21.513  23.098   8.477
  228   1HG2  ILE  34          HG23      ILE  34  18.489  20.544   6.893
  229   2HG2  ILE  34          HG22      ILE  34  18.750  22.171   6.281
  230   3HG2  ILE  34          HG21      ILE  34  19.916  20.904   5.927
  231   1HD1  ILE  34          HD13      ILE  34  22.012  21.512   6.418
  232   2HD1  ILE  34          HD12      ILE  34  21.210  22.799   5.521
  233   3HD1  ILE  34          HD11      ILE  34  22.662  23.153   6.460
  234    H    CYS  35           HN       CYS  35  19.073  19.868  10.323
  235    HA   CYS  35           HA       CYS  35  16.749  18.580   9.205
  236   1HB   CYS  35           HB2      CYS  35  18.280  17.153  10.310
  237   2HB   CYS  35           HB1      CYS  35  18.386  18.209  11.726
  238    H    ASN  36           HN       ASN  36  17.103  20.066  12.503
  239    HA   ASN  36           HA       ASN  36  14.280  20.198  13.051
  240   1HB   ASN  36           HB2      ASN  36  16.090  20.607  14.708
  241   2HB   ASN  36           HB1      ASN  36  16.572  22.073  13.840
  242   1HD2  ASN  36          HD22      ASN  36  13.297  22.114  16.281
  243   2HD2  ASN  36          HD21      ASN  36  14.077  20.652  15.911
  244    H    LYS  37           HN       LYS  37  16.388  22.699  11.644
  245    HA   LYS  37           HA       LYS  37  14.414  24.669  11.181
  246   1HB   LYS  37           HB2      LYS  37  16.926  24.821  11.385
  247   2HB   LYS  37           HB1      LYS  37  17.023  24.286   9.713
  248   1HG   LYS  37           HG2      LYS  37  15.341  26.670  10.523
  249   2HG   LYS  37           HG1      LYS  37  17.052  26.838  10.137
  250   1HD   LYS  37           HD2      LYS  37  16.317  25.443   7.989
  251   2HD   LYS  37           HD1      LYS  37  14.759  26.171   8.341
  252   1HE   LYS  37           HE2      LYS  37  17.094  28.023   8.425
  253   2HE   LYS  37           HE1      LYS  37  16.636  27.410   6.823
  254   1HZ   LYS  37           HZ1      LYS  37  14.747  28.570   8.801
  255   2HZ   LYS  37           HZ3      LYS  37  15.353  29.391   7.448
  256   3HZ   LYS  37           HZ2      LYS  37  14.359  28.030   7.238
  257    H    ASN  38           HN       ASN  38  16.200  23.397   8.389
  258    HA   ASN  38           HA       ASN  38  14.344  24.111   6.461
  259   1HB   ASN  38           HB2      ASN  38  16.659  22.316   6.749
  260   2HB   ASN  38           HB1      ASN  38  15.816  22.421   5.195
  261   1HD2  ASN  38          HD22      ASN  38  18.321  25.354   6.394
  262   2HD2  ASN  38          HD21      ASN  38  18.059  23.944   7.311
  263    H    CYS  39           HN       CYS  39  14.478  21.254   8.321
  264    HA   CYS  39           HA       CYS  39  13.357  19.300   6.679
  265   1HB   CYS  39           HB2      CYS  39  12.930  19.969   9.546
  266   2HB   CYS  39           HB1      CYS  39  12.181  18.550   8.811
  267    H    THR  40           HN       THR  40  11.349  21.566   8.555
  268    HA   THR  40           HA       THR  40   8.854  20.354   7.616
  269    HB   THR  40           HB       THR  40   7.957  22.597   8.621
  270    HG1  THR  40           HG1      THR  40   9.492  23.769   9.750
  271   1HG2  THR  40          HG21      THR  40   9.404  20.365   9.978
  272   2HG2  THR  40          HG23      THR  40   9.094  21.792  10.969
  273   3HG2  THR  40          HG22      THR  40   7.752  20.938  10.208
   
  No H/Q in entry =         273
  Start of MODEL    2
    1   1H    ASP   1           HT3      ASP   1  10.767  23.107  12.051
    2   2H    ASP   1           HT2      ASP   1  10.134  24.612  11.581
    3   3H    ASP   1           HT1      ASP   1  11.750  24.487  12.090
    4    HA   ASP   1           HA       ASP   1  11.171  24.160  14.323
    5   1HB   ASP   1           HB2      ASP   1   9.690  26.214  12.737
    6   2HB   ASP   1           HB1      ASP   1   9.289  26.066  14.449
    7    H    ASP   2           HN       ASP   2   8.515  23.531  12.108
    8    HA   ASP   2           HA       ASP   2   6.701  22.662  14.286
    9   1HB   ASP   2           HB2      ASP   2   6.536  22.764  11.213
   10   2HB   ASP   2           HB1      ASP   2   5.233  22.108  12.213
   11    H    GLY   3           HN       GLY   3   8.563  21.042  14.855
   12   1HA   GLY   3           HA2      GLY   3   7.738  18.422  14.443
   13   2HA   GLY   3           HA1      GLY   3   8.911  18.704  13.165
   14    H    LEU   4           HN       LEU   4  10.124  16.963  14.345
   15    HA   LEU   4           HA       LEU   4  11.765  18.125  16.569
   16   1HB   LEU   4           HB2      LEU   4  10.880  15.229  16.344
   17   2HB   LEU   4           HB1      LEU   4  11.658  16.006  17.715
   18    HG   LEU   4           HG       LEU   4   8.959  16.936  16.721
   19   1HD1  LEU   4          HD12      LEU   4   9.660  14.613  18.502
   20   2HD1  LEU   4          HD11      LEU   4   8.151  15.497  18.733
   21   3HD1  LEU   4          HD13      LEU   4   8.473  14.689  17.198
   22   1HD2  LEU   4          HD22      LEU   4  10.719  17.369  19.094
   23   2HD2  LEU   4          HD21      LEU   4   9.661  18.509  18.259
   24   3HD2  LEU   4          HD23      LEU   4   8.980  17.328  19.378
   25    H    CYS   5           HN       CYS   5  13.809  16.479  16.850
   26    HA   CYS   5           HA       CYS   5  14.688  15.333  14.223
   27   1HB   CYS   5           HB2      CYS   5  15.243  17.811  14.266
   28   2HB   CYS   5           HB1      CYS   5  16.301  17.486  15.641
   29    H    TYR   6           HN       TYR   6  15.816  13.510  14.630
   30    HA   TYR   6           HA       TYR   6  17.390  13.299  17.157
   31   1HB   TYR   6           HB2      TYR   6  16.276  11.150  17.678
   32   2HB   TYR   6           HB1      TYR   6  15.118  12.464  17.598
   33    HD1  TYR   6           HD1      TYR   6  16.427   9.460  15.862
   34    HD2  TYR   6           HD2      TYR   6  13.422  12.552  15.915
   35    HE1  TYR   6           HE1      TYR   6  15.082   8.170  14.196
   36    HE2  TYR   6           HE2      TYR   6  12.069  11.275  14.242
   37    HH   TYR   6           HH       TYR   6  12.642   9.463  12.397
   38    H    GLU   7           HN       GLU   7  18.569  10.935  16.982
   39    HA   GLU   7           HA       GLU   7  19.624  10.812  14.174
   40   1HB   GLU   7           HB2      GLU   7  21.778  10.573  15.137
   41   2HB   GLU   7           HB1      GLU   7  20.999  11.804  16.117
   42   1HG   GLU   7           HG2      GLU   7  20.369   9.832  17.699
   43   2HG   GLU   7           HG1      GLU   7  21.577   8.929  16.735
   44    H    GLY   8           HN       GLY   8  20.190   8.765  13.374
   45   1HA   GLY   8           HA2      GLY   8  20.355   6.321  14.469
   46   2HA   GLY   8           HA1      GLY   8  18.607   6.538  14.490
   47    H    THR   9           HN       THR   9  17.520   5.892  12.609
   48    HA   THR   9           HA       THR   9  18.921   5.932  10.004
   49    HB   THR   9           HB       THR   9  17.919   3.497  11.449
   50    HG1  THR   9           HG1      THR   9  19.853   3.410  12.205
   51   1HG2  THR   9          HG22      THR   9  18.772   3.947   8.644
   52   2HG2  THR   9          HG21      THR   9  19.461   2.526   9.428
   53   3HG2  THR   9          HG23      THR   9  17.711   2.709   9.315
   54    H    ASN  10           HN       ASN  10  16.193   6.943  11.343
   55    HA   ASN  10           HA       ASN  10  14.119   5.321  10.171
   56   1HB   ASN  10           HB2      ASN  10  13.850   6.619  12.179
   57   2HB   ASN  10           HB1      ASN  10  14.124   8.123  11.310
   58   1HD2  ASN  10          HD22      ASN  10  10.694   8.319  10.222
   59   2HD2  ASN  10          HD21      ASN  10  12.253   9.115  10.290
   60    H    CYS  11           HN       CYS  11  16.018   7.732   8.741
   61    HA   CYS  11           HA       CYS  11  14.248   7.601   6.327
   62   1HB   CYS  11           HB2      CYS  11  15.397  10.011   7.717
   63   2HB   CYS  11           HB1      CYS  11  14.997  10.090   5.994
   64    H    GLY  12           HN       GLY  12  16.728   6.254   7.178
   65   1HA   GLY  12           HA2      GLY  12  18.586   5.483   5.920
   66   2HA   GLY  12           HA1      GLY  12  18.044   6.559   4.629
   67    H    LYS  13           HN       LYS  13  18.548   7.883   7.794
   68    HA   LYS  13           HA       LYS  13  20.592   9.680   6.745
   69   1HB   LYS  13           HB2      LYS  13  20.074  10.937   8.682
   70   2HB   LYS  13           HB1      LYS  13  18.595  10.201   8.105
   71   1HG   LYS  13           HG2      LYS  13  19.137   8.277   9.762
   72   2HG   LYS  13           HG1      LYS  13  20.244   9.430  10.486
   73   1HD   LYS  13           HD2      LYS  13  18.361  11.032  10.640
   74   2HD   LYS  13           HD1      LYS  13  17.285   9.759  10.102
   75   1HE   LYS  13           HE2      LYS  13  18.623   8.524  12.127
   76   2HE   LYS  13           HE1      LYS  13  18.528  10.171  12.737
   77   1HZ   LYS  13           HZ3      LYS  13  16.133   9.056  11.473
   78   2HZ   LYS  13           HZ2      LYS  13  16.553   8.474  13.005
   79   3HZ   LYS  13           HZ1      LYS  13  16.276  10.132  12.779
   80    H    VAL  14           HN       VAL  14  21.642   7.159   6.863
   81    HA   VAL  14           HA       VAL  14  23.166   6.618   9.276
   82    HB   VAL  14           HB       VAL  14  23.437   5.881   6.337
   83   1HG1  VAL  14          HG13      VAL  14  25.132   5.039   8.696
   84   2HG1  VAL  14          HG12      VAL  14  24.947   3.999   7.285
   85   3HG1  VAL  14          HG11      VAL  14  25.661   5.602   7.110
   86   1HG2  VAL  14          HG23      VAL  14  21.541   5.026   7.993
   87   2HG2  VAL  14          HG22      VAL  14  22.296   3.930   6.837
   88   3HG2  VAL  14          HG21      VAL  14  22.817   3.928   8.521
   89    H    GLY  15           HN       GLY  15  24.673   8.162  10.040
   90   1HA   GLY  15           HA2      GLY  15  26.909   9.160   9.643
   91   2HA   GLY  15           HA1      GLY  15  26.455   9.382   7.955
   92    H    LYS  16           HN       LYS  16  23.679  10.442   8.883
   93    HA   LYS  16           HA       LYS  16  24.599  13.070  10.010
   94   1HB   LYS  16           HB2      LYS  16  22.693  12.685   7.704
   95   2HB   LYS  16           HB1      LYS  16  23.297  14.211   8.344
   96   1HG   LYS  16           HG2      LYS  16  25.638  13.385   7.797
   97   2HG   LYS  16           HG1      LYS  16  24.869  12.086   6.884
   98   1HD   LYS  16           HD2      LYS  16  23.703  14.668   6.196
   99   2HD   LYS  16           HD1      LYS  16  25.450  14.682   5.966
  100   1HE   LYS  16           HE2      LYS  16  24.657  13.857   3.898
  101   2HE   LYS  16           HE1      LYS  16  25.055  12.369   4.779
  102   1HZ   LYS  16           HZ1      LYS  16  22.384  13.674   4.735
  103   2HZ   LYS  16           HZ3      LYS  16  22.806  12.287   3.854
  104   3HZ   LYS  16           HZ2      LYS  16  22.780  12.238   5.552
  105    H    TYR  17           HN       TYR  17  21.580  14.013   9.659
  106    HA   TYR  17           HA       TYR  17  20.381  12.063  11.586
  107   1HB   TYR  17           HB2      TYR  17  20.298  15.056  12.137
  108   2HB   TYR  17           HB1      TYR  17  19.986  13.689  13.228
  109    HD1  TYR  17           HD2      TYR  17  21.830  12.194  13.960
  110    HD2  TYR  17           HD1      TYR  17  22.592  15.882  11.864
  111    HE1  TYR  17           HE2      TYR  17  24.166  12.135  14.765
  112    HE2  TYR  17           HE1      TYR  17  24.949  15.865  12.692
  113    HH   TYR  17           HH       TYR  17  26.612  13.856  13.476
  114    H    CYS  18           HN       CYS  18  17.863  12.813  12.035
  115    HA   CYS  18           HA       CYS  18  16.789  13.899   9.447
  116   1HB   CYS  18           HB2      CYS  18  16.102  11.316  10.893
  117   2HB   CYS  18           HB1      CYS  18  15.134  11.979   9.575
  118    H    CYS  19           HN       CYS  19  14.445  14.174   9.551
  119    HA   CYS  19           HA       CYS  19  13.381  14.870  12.246
  120   1HB   CYS  19           HB2      CYS  19  12.452  16.909  10.885
  121   2HB   CYS  19           HB1      CYS  19  14.154  16.920  11.364
  122    H    SER  20           HN       SER  20  12.115  13.017  12.176
  123    HA   SER  20           HA       SER  20   9.521  13.103  11.002
  124   1HB   SER  20           HB2      SER  20   9.751  11.458   9.234
  125   2HB   SER  20           HB1      SER  20  10.969  12.696   8.972
  126    HG   SER  20           HG       SER  20  11.645  10.395   8.891
  127    HA   PRO  21           HA       PRO  21   9.546   9.914  14.154
  128   1HB   PRO  21           HB2      PRO  21   6.876   9.302  14.133
  129   2HB   PRO  21           HB1      PRO  21   7.520  10.763  14.910
  130   1HG   PRO  21           HG2      PRO  21   6.114  10.472  12.316
  131   2HG   PRO  21           HG1      PRO  21   6.105  11.817  13.466
  132   1HD   PRO  21           HD2      PRO  21   7.554  11.722  11.098
  133   2HD   PRO  21           HD1      PRO  21   7.874  12.824  12.452
  134    H    ILE  22           HN       ILE  22   7.737   9.519  11.166
  135    HA   ILE  22           HA       ILE  22   8.939   6.838  10.742
  136    HB   ILE  22           HB       ILE  22   6.682   6.572  11.762
  137   1HG1  ILE  22          HG12      ILE  22   6.520   5.829   8.836
  138   2HG1  ILE  22          HG11      ILE  22   7.605   5.004   9.956
  139   1HG2  ILE  22          HG22      ILE  22   5.714   8.694  10.905
  140   2HG2  ILE  22          HG21      ILE  22   5.666   7.991   9.287
  141   3HG2  ILE  22          HG23      ILE  22   4.685   7.302  10.578
  142   1HD1  ILE  22          HD11      ILE  22   5.443   4.784  11.441
  143   2HD1  ILE  22          HD13      ILE  22   4.602   5.034   9.911
  144   3HD1  ILE  22          HD12      ILE  22   5.699   3.667  10.101
  145    H    GLY  23           HN       GLY  23   7.058   9.498   9.428
  146   1HA   GLY  23           HA2      GLY  23   8.770  10.176   7.448
  147   2HA   GLY  23           HA1      GLY  23   7.712   9.050   6.663
  148    H    LYS  24           HN       LYS  24   6.523  11.380   9.129
  149    HA   LYS  24           HA       LYS  24   4.442  12.342   7.405
  150   1HB   LYS  24           HB2      LYS  24   4.157  14.079   9.102
  151   2HB   LYS  24           HB1      LYS  24   4.491  12.542   9.889
  152   1HG   LYS  24           HG2      LYS  24   6.928  13.246   9.998
  153   2HG   LYS  24           HG1      LYS  24   6.409  14.842   9.459
  154   1HD   LYS  24           HD2      LYS  24   4.631  14.441  11.465
  155   2HD   LYS  24           HD1      LYS  24   5.994  13.513  12.084
  156   1HE   LYS  24           HE2      LYS  24   6.530  16.260  11.004
  157   2HE   LYS  24           HE1      LYS  24   5.806  16.104  12.613
  158   1HZ   LYS  24           HZ2      LYS  24   8.228  14.644  11.698
  159   2HZ   LYS  24           HZ1      LYS  24   8.252  16.030  12.680
  160   3HZ   LYS  24           HZ3      LYS  24   7.549  14.599  13.255
  161    H    TYR  25           HN       TYR  25   7.803  13.088   7.660
  162    HA   TYR  25           HA       TYR  25   7.658  14.859   5.309
  163   1HB   TYR  25           HB2      TYR  25   8.713  15.561   8.051
  164   2HB   TYR  25           HB1      TYR  25   9.319  16.381   6.611
  165    HD1  TYR  25           HD2      TYR  25   7.252  16.991   4.865
  166    HD2  TYR  25           HD1      TYR  25   7.002  16.686   9.172
  167    HE1  TYR  25           HE2      TYR  25   5.216  18.437   4.847
  168    HE2  TYR  25           HE1      TYR  25   4.959  18.130   9.161
  169    HH   TYR  25           HH       TYR  25   4.085  20.069   7.233
  170    H    CYS  26           HN       CYS  26   9.658  13.081   7.669
  171    HA   CYS  26           HA       CYS  26  11.717  11.912   7.413
  172   1HB   CYS  26           HB2      CYS  26   9.962  10.759   5.966
  173   2HB   CYS  26           HB1      CYS  26  10.692  11.582   4.591
  174    H    VAL  27           HN       VAL  27  12.487  14.493   7.380
  175    HA   VAL  27           HA       VAL  27  14.038  14.746   4.804
  176    HB   VAL  27           HB       VAL  27  13.370  16.968   6.736
  177   1HG1  VAL  27          HG13      VAL  27  15.073  16.974   4.698
  178   2HG1  VAL  27          HG12      VAL  27  13.599  17.181   3.756
  179   3HG1  VAL  27          HG11      VAL  27  14.025  18.360   4.997
  180   1HG2  VAL  27          HG21      VAL  27  11.686  15.819   4.487
  181   2HG2  VAL  27          HG23      VAL  27  11.208  16.084   6.162
  182   3HG2  VAL  27          HG22      VAL  27  11.464  17.461   5.091
  183    H    CYS  28           HN       CYS  28  16.170  14.280   5.066
  184    HA   CYS  28           HA       CYS  28  17.393  14.770   7.764
  185   1HB   CYS  28           HB2      CYS  28  18.233  12.858   5.573
  186   2HB   CYS  28           HB1      CYS  28  18.816  12.873   7.237
  187    H    TYR  29           HN       TYR  29  19.558  15.518   7.826
  188    HA   TYR  29           HA       TYR  29  20.795  16.492   5.324
  189   1HB   TYR  29           HB2      TYR  29  20.026  18.197   7.667
  190   2HB   TYR  29           HB1      TYR  29  20.992  18.716   6.302
  191    HD1  TYR  29           HD1      TYR  29  17.679  17.642   7.430
  192    HD2  TYR  29           HD2      TYR  29  20.025  19.261   4.194
  193    HE1  TYR  29           HE1      TYR  29  15.598  18.412   6.310
  194    HE2  TYR  29           HE2      TYR  29  17.949  19.996   3.026
  195    HH   TYR  29           HH       TYR  29  15.314  19.094   3.185
  196    H    ASP  30           HN       ASP  30  22.982  17.585   5.977
  197    HA   ASP  30           HA       ASP  30  24.335  15.869   7.906
  198   1HB   ASP  30           HB2      ASP  30  26.301  16.905   7.037
  199   2HB   ASP  30           HB1      ASP  30  25.209  16.625   5.684
  200    H    SER  31           HN       SER  31  23.291  19.258   7.761
  201    HA   SER  31           HA       SER  31  24.551  19.943  10.343
  202   1HB   SER  31           HB2      SER  31  22.419  21.467   8.924
  203   2HB   SER  31           HB1      SER  31  23.737  22.092   9.905
  204    HG   SER  31           HG       SER  31  23.760  21.110   7.270
  205    H    LYS  32           HN       LYS  32  23.578  18.763  12.132
  206    HA   LYS  32           HA       LYS  32  20.944  17.729  12.254
  207   1HB   LYS  32           HB2      LYS  32  21.373  17.568  14.638
  208   2HB   LYS  32           HB1      LYS  32  22.975  17.552  13.894
  209   1HG   LYS  32           HG2      LYS  32  23.405  19.814  14.519
  210   2HG   LYS  32           HG1      LYS  32  21.713  20.106  14.925
  211   1HD   LYS  32           HD2      LYS  32  22.646  19.746  17.061
  212   2HD   LYS  32           HD1      LYS  32  22.102  18.115  16.641
  213   1HE   LYS  32           HE2      LYS  32  24.401  17.591  15.770
  214   2HE   LYS  32           HE1      LYS  32  24.941  19.201  16.294
  215   1HZ   LYS  32           HZ1      LYS  32  23.998  18.624  18.529
  216   2HZ   LYS  32           HZ3      LYS  32  23.827  17.028  17.982
  217   3HZ   LYS  32           HZ2      LYS  32  25.371  17.729  18.082
  218    H    ALA  33           HN       ALA  33  22.077  21.056  12.619
  219    HA   ALA  33           HA       ALA  33  19.710  22.288  13.610
  220   1HB   ALA  33           HB1      ALA  33  22.050  23.258  13.447
  221   2HB   ALA  33           HB3      ALA  33  21.831  23.345  11.697
  222   3HB   ALA  33           HB2      ALA  33  20.814  24.318  12.763
  223    H    ILE  34           HN       ILE  34  20.889  21.705  10.182
  224    HA   ILE  34           HA       ILE  34  18.713  22.977   8.924
  225    HB   ILE  34           HB       ILE  34  20.662  20.823   8.252
  226   1HG1  ILE  34          HG12      ILE  34  20.253  23.715   7.410
  227   2HG1  ILE  34          HG11      ILE  34  21.513  23.098   8.477
  228   1HG2  ILE  34          HG23      ILE  34  18.489  20.544   6.893
  229   2HG2  ILE  34          HG22      ILE  34  18.750  22.171   6.281
  230   3HG2  ILE  34          HG21      ILE  34  19.916  20.904   5.927
  231   1HD1  ILE  34          HD13      ILE  34  22.012  21.512   6.418
  232   2HD1  ILE  34          HD12      ILE  34  21.210  22.799   5.521
  233   3HD1  ILE  34          HD11      ILE  34  22.662  23.153   6.460
  234    H    CYS  35           HN       CYS  35  19.073  19.868  10.323
  235    HA   CYS  35           HA       CYS  35  16.749  18.580   9.205
  236   1HB   CYS  35           HB2      CYS  35  18.280  17.153  10.310
  237   2HB   CYS  35           HB1      CYS  35  18.386  18.209  11.726
  238    H    ASN  36           HN       ASN  36  17.103  20.066  12.503
  239    HA   ASN  36           HA       ASN  36  14.280  20.198  13.051
  240   1HB   ASN  36           HB2      ASN  36  16.090  20.607  14.708
  241   2HB   ASN  36           HB1      ASN  36  16.572  22.073  13.840
  242   1HD2  ASN  36          HD22      ASN  36  13.297  22.114  16.281
  243   2HD2  ASN  36          HD21      ASN  36  14.077  20.652  15.911
  244    H    LYS  37           HN       LYS  37  16.388  22.699  11.644
  245    HA   LYS  37           HA       LYS  37  14.414  24.669  11.181
  246   1HB   LYS  37           HB2      LYS  37  16.926  24.821  11.385
  247   2HB   LYS  37           HB1      LYS  37  17.023  24.286   9.713
  248   1HG   LYS  37           HG2      LYS  37  15.341  26.670  10.523
  249   2HG   LYS  37           HG1      LYS  37  17.052  26.838  10.137
  250   1HD   LYS  37           HD2      LYS  37  16.317  25.443   7.989
  251   2HD   LYS  37           HD1      LYS  37  14.759  26.171   8.341
  252   1HE   LYS  37           HE2      LYS  37  17.094  28.023   8.425
  253   2HE   LYS  37           HE1      LYS  37  16.636  27.410   6.823
  254   1HZ   LYS  37           HZ1      LYS  37  14.747  28.570   8.801
  255   2HZ   LYS  37           HZ3      LYS  37  15.353  29.391   7.448
  256   3HZ   LYS  37           HZ2      LYS  37  14.359  28.030   7.238
  257    H    ASN  38           HN       ASN  38  16.200  23.397   8.389
  258    HA   ASN  38           HA       ASN  38  14.344  24.111   6.461
  259   1HB   ASN  38           HB2      ASN  38  16.659  22.316   6.749
  260   2HB   ASN  38           HB1      ASN  38  15.816  22.421   5.195
  261   1HD2  ASN  38          HD22      ASN  38  18.321  25.354   6.394
  262   2HD2  ASN  38          HD21      ASN  38  18.059  23.944   7.311
  263    H    CYS  39           HN       CYS  39  14.478  21.254   8.321
  264    HA   CYS  39           HA       CYS  39  13.357  19.300   6.679
  265   1HB   CYS  39           HB2      CYS  39  12.930  19.969   9.546
  266   2HB   CYS  39           HB1      CYS  39  12.181  18.550   8.811
  267    H    THR  40           HN       THR  40  11.349  21.566   8.555
  268    HA   THR  40           HA       THR  40   8.854  20.354   7.616
  269    HB   THR  40           HB       THR  40   7.957  22.597   8.621
  270    HG1  THR  40           HG1      THR  40   9.492  23.769   9.750
  271   1HG2  THR  40          HG21      THR  40   9.404  20.365   9.978
  272   2HG2  THR  40          HG23      THR  40   9.094  21.792  10.969
  273   3HG2  THR  40          HG22      THR  40   7.752  20.938  10.208
   
  No H/Q in entry =         273