*HEADER    ANTIMICROBIAL PROTEIN                   21-JUL-11   2LG5              
*TITLE     NMR STRUCTURE OF CHICKEN AVBD2 DEFENSIN                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GALLINACIN-2;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: GAL-2, BETA-DEFENSIN 2;                                     
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: GALLUS GALLUS;                                  
*SOURCE   4 ORGANISM_COMMON: BANTAM,CHICKENS;                                    
*SOURCE   5 ORGANISM_TAXID: 9031                                                 
*KEYWDS    ANTIMICROBIAL PROTEIN                                                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    H.MEUDAL, C.LANDON                                                    
*REVDAT   1   25-APR-12 2LG5    0                                                


! derived from the 2D file(s):
! Chicken AvBD2 H20
ASSI ( resid 9 and name HN )
     ( resid 8 and name HA )
     6.0 0.1 0.1 peak 0 volume 382.23181 ppm1 9.4258280 ppm2 5.6526570
ASSI ( resid 31 and name HN )
     ( resid 30 and name HA )
     6.0 0.1 0.1 peak 1 volume 461.52231 ppm1 9.3137264 ppm2 5.5114594
ASSI ( resid 30 and name HN )
     ( resid 30 and name HA )
     6.0 0.1 0.1 peak 2 volume 80.18800 ppm1 8.9904661 ppm2 5.5173469
ASSI ( resid 30 and name HN )
     ( resid 8 and name HA )
     6.0 0.1 0.1 peak 3 volume 30.28190 ppm1 8.9917755 ppm2 5.6531959
ASSI ( resid 20 and name HN )
     ( resid 30 and name HA )
     6.0 0.1 0.1 peak 4 volume 48.43910 ppm1 8.8040419 ppm2 5.5100908
ASSI ( resid 8 and name HN )
     ( resid 8 and name HA )
     6.0 0.1 0.1 peak 5 volume 63.68540 ppm1 8.7995396 ppm2 5.6537061
ASSI ( resid 9 and name HD2 )
     ( resid 8 and name HA )
     6.0 0.1 0.1 peak 6 volume 34.70350 ppm1 6.9177866 ppm2 5.6505885
ASSI ( resid 9 and name HN )
     ( resid 9 and name HA )
     6.0 0.1 0.1 peak 7 volume 60.12360 ppm1 9.4276552 ppm2 4.7581735
  OR ( resid 9 and name HN )
     ( resid 13 and name HA )
ASSI ( resid 31 and name HN )
     ( resid 31 and name HA )
     6.0 0.1 0.1 peak 8 volume 67.38360 ppm1 9.3135891 ppm2 4.7459288
ASSI ( resid 10 and name HN )
     ( resid 9 and name HA )
     6.0 0.1 0.1 peak 9 volume 284.44220 ppm1 9.2549000 ppm2 4.7653255
  OR ( resid 10 and name HN )
     ( resid 13 and name HA )
ASSI ( resid 30 and name HN )
     ( resid 29 and name HA )
     6.0 0.1 0.1 peak 10 volume 70.56570 ppm1 8.9927082 ppm2 4.8450465
ASSI ( resid 28 and name HN )
     ( resid 28 and name HA )
     6.0 0.1 0.1 peak 11 volume 470.97491 ppm1 9.1375589 ppm2 4.5783563
  OR ( resid 28 and name HN )
     ( resid 27 and name HA )
  OR ( resid 28 and name HN )
     ( resid 10 and name HA )
ASSI ( resid 10 and name HN )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 12 volume 76.31950 ppm1 9.2564201 ppm2 4.5521746
ASSI ( resid 9 and name HN )
     ( resid 27 and name HA )
     6.0 0.1 0.1 peak 13 volume 18.67740 ppm1 9.4262609 ppm2 4.5744743
ASSI ( resid 31 and name HN )
     ( resid 20 and name HA )
     6.0 0.1 0.1 peak 14 volume 18.68940 ppm1 9.3145075 ppm2 4.4356251
  OR ( resid 31 and name HN )
     ( resid 17 and name HA )
ASSI ( resid 22 and name HN )
     ( resid 22 and name HA )
     6.0 0.1 0.1 peak 15 volume 72.46690 ppm1 8.7282686 ppm2 5.0306368
ASSI ( resid 29 and name HN )
     ( resid 22 and name HA )
     6.0 0.1 0.1 peak 16 volume 161.18100 ppm1 8.5921621 ppm2 5.0291629
ASSI ( resid 8 and name HN )
     ( resid 7 and name HA )
     6.0 0.1 0.1 peak 17 volume 71.09890 ppm1 8.8007517 ppm2 4.7955861
  OR ( resid 8 and name HN )
     ( resid 19 and name HA )
  OR ( resid 20 and name HN )
     ( resid 7 and name HA )
  OR ( resid 20 and name HN )
     ( resid 19 and name HA )
ASSI ( resid 3 and name HN )
     ( resid 2 and name HA )
     6.0 0.1 0.1 peak 18 volume 271.40179 ppm1 8.8846006 ppm2 4.6760345
ASSI ( resid 7 and name HN )
     ( resid 6 and name HA1 )
     6.0 0.1 0.1 peak 19 volume 180.71820 ppm1 8.7475796 ppm2 4.5679049
ASSI ( resid 11 and name HN )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 20 volume 487.59100 ppm1 8.6428280 ppm2 4.5573330
ASSI ( resid 29 and name HN )
     ( resid 28 and name HA )
     6.0 0.1 0.1 peak 21 volume 391.03619 ppm1 8.5928020 ppm2 4.6054292
ASSI ( resid 20 and name HN )
     ( resid 20 and name HA )
     6.0 0.1 0.1 peak 22 volume 93.25050 ppm1 8.8058224 ppm2 4.4282012
ASSI ( resid 3 and name HN )
     ( resid 3 and name HA )
     6.0 0.1 0.1 peak 23 volume 240.97890 ppm1 8.8847179 ppm2 4.3692193
ASSI ( resid 18 and name HN )
     ( resid 18 and name HA )
     6.0 0.1 0.1 peak 24 volume 56.15240 ppm1 8.9465733 ppm2 4.3424349
ASSI ( resid 18 and name HN )
     ( resid 17 and name HA )
     6.0 0.1 0.1 peak 25 volume 289.73849 ppm1 8.9466324 ppm2 4.4311490
ASSI ( resid 19 and name HN )
     ( resid 18 and name HA )
     6.0 0.1 0.1 peak 26 volume 595.89618 ppm1 8.5671844 ppm2 4.3449039
ASSI ( resid 22 and name HN )
     ( resid 21 and name HA1 )
     6.0 0.1 0.1 peak 27 volume 367.67331 ppm1 8.7250490 ppm2 4.2395501
ASSI ( resid 13 and name HN )
     ( resid 13 and name HA )
     6.0 0.1 0.1 peak 28 volume 46.54390 ppm1 8.4887314 ppm2 4.7691350
  OR ( resid 13 and name HN )
     ( resid 9 and name HA )
ASSI ( resid 32 and name HN )
     ( resid 31 and name HA )
     6.0 0.1 0.1 peak 29 volume 259.66721 ppm1 8.3884077 ppm2 4.7460704
ASSI ( resid 32 and name HN )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 30 volume 78.87590 ppm1 8.3868151 ppm2 4.5583248
ASSI ( resid 23 and name HN )
     ( resid 22 and name HA )
     6.0 0.1 0.1 peak 31 volume 386.40601 ppm1 8.0938320 ppm2 5.0273576
ASSI ( resid 23 and name HN )
     ( resid 23 and name HA )
     6.0 0.1 0.1 peak 32 volume 51.99850 ppm1 8.0934038 ppm2 4.7504921
ASSI ( resid 23 and name HN )
     ( resid 28 and name HA )
     6.0 0.1 0.1 peak 33 volume 53.32170 ppm1 8.0938320 ppm2 4.6026006
ASSI ( resid 35 and name HN )
     ( resid 35 and name HA )
     6.0 0.1 0.1 peak 34 volume 11.62080 ppm1 7.9216671 ppm2 4.8678331
ASSI ( resid 35 and name HN )
     ( resid 34 and name HA )
     6.0 0.1 0.1 peak 35 volume 48.93410 ppm1 7.9161100 ppm2 4.7622828
ASSI ( resid 24 and name HN )
     ( resid 23 and name HA )
     6.0 0.1 0.1 peak 36 volume 94.95010 ppm1 7.7594109 ppm2 4.7472920
  OR ( resid 24 and name HN )
     ( resid 31 and name HA )
  OR ( resid 6 and name HN )
     ( resid 23 and name HA )
  OR ( resid 6 and name HN )
     ( resid 31 and name HA )
ASSI ( resid 34 and name HE3 )
     ( resid 34 and name HA )
     6.0 0.1 0.1 peak 37 volume 16.30110 ppm1 7.6727452 ppm2 4.7681785
ASSI ( resid 6 and name HN )
     ( resid 6 and name HA1 )
     6.0 0.1 0.1 peak 38 volume 95.13570 ppm1 7.7462244 ppm2 4.5712686
  OR ( resid 6 and name HN )
     ( resid 27 and name HA )
  OR ( resid 24 and name HN )
     ( resid 6 and name HA1 )
  OR ( resid 24 and name HN )
     ( resid 27 and name HA )
ASSI ( resid 21 and name HN )
     ( resid 20 and name HA )
     6.0 0.1 0.1 peak 39 volume 155.65970 ppm1 7.8038402 ppm2 4.4296751
ASSI ( resid 36 and name HN )
     ( resid 35 and name HA )
     6.0 0.1 0.1 peak 40 volume 26.16410 ppm1 7.5716057 ppm2 4.8543139
  OR ( resid 35 and name HD21 )
     ( resid 35 and name HA )
ASSI ( resid 32 and name HE3 )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 41 volume 128.50200 ppm1 7.5340734 ppm2 4.5586934
ASSI ( resid 17 and name HN )
     ( resid 17 and name HA )
     6.0 0.1 0.1 peak 42 volume 98.25910 ppm1 7.6064391 ppm2 4.4318862
ASSI ( resid 17 and name HN )
     ( resid 16 and name HA )
     6.0 0.1 0.1 peak 43 volume 50.76220 ppm1 7.6064391 ppm2 4.3093863
ASSI ( resid 2 and name HD1 )
     ( resid 2 and name HA )
     6.0 0.1 0.1 peak 44 volume 104.27990 ppm1 7.3060546 ppm2 4.6746740
  OR ( resid 2 and name HD2 )
     ( resid 2 and name HA )
ASSI ( resid 10 and name HD1 )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 45 volume 167.97780 ppm1 7.2956276 ppm2 4.5561934
  OR ( resid 10 and name HD2 )
     ( resid 10 and name HA )
ASSI ( resid 32 and name HD1 )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 46 volume 33.54040 ppm1 7.2481213 ppm2 4.5580702
ASSI ( resid 27 and name HN )
     ( resid 27 and name HA )
     6.0 0.1 0.1 peak 47 volume 96.30300 ppm1 7.0620270 ppm2 4.5741687
ASSI ( resid 26 and name HD1 )
     ( resid 26 and name HA )
     6.0 0.1 0.1 peak 48 volume 106.48020 ppm1 7.2020402 ppm2 4.3738956
  OR ( resid 26 and name HD2 )
     ( resid 26 and name HA )
ASSI ( resid 27 and name HN )
     ( resid 26 and name HA )
     6.0 0.1 0.1 peak 49 volume 88.18900 ppm1 7.0658159 ppm2 4.3713164
ASSI ( resid 34 and name HN )
     ( resid 34 and name HA )
     6.0 0.1 0.1 peak 50 volume 48.14130 ppm1 6.9933910 ppm2 4.7600722
  OR ( resid 34 and name HZ3 )
     ( resid 34 and name HA )
ASSI ( resid 10 and name HD1 )
     ( resid 9 and name HA )
     6.0 0.1 0.1 peak 51 volume 17.75300 ppm1 7.3059368 ppm2 4.7539220
  OR ( resid 10 and name HD2 )
     ( resid 9 and name HA )
ASSI ( resid 24 and name HD1 )
     ( resid 24 and name HA )
     6.0 0.1 0.1 peak 52 volume 101.39080 ppm1 7.1106143 ppm2 4.1561632
  OR ( resid 24 and name HD2 )
     ( resid 24 and name HA )
ASSI ( resid 34 and name HN )
     ( resid 33 and name HA )
     6.0 0.1 0.1 peak 53 volume 156.74699 ppm1 6.9971209 ppm2 4.1554260
ASSI ( resid 26 and name HN )
     ( resid 26 and name HA )
     6.0 0.1 0.1 peak 54 volume 1041.76782 ppm1 8.2824907 ppm2 4.3723927
  OR ( resid 26 and name HN )
     ( resid 3 and name HA )
  OR ( resid 26 and name HN )
     ( resid 14 and name HA )
  OR ( resid 4 and name HN )
     ( resid 26 and name HA )
  OR ( resid 4 and name HN )
     ( resid 3 and name HA )
  OR ( resid 4 and name HN )
     ( resid 14 and name HA )
  OR ( resid 15 and name HN )
     ( resid 26 and name HA )
  OR ( resid 15 and name HN )
     ( resid 3 and name HA )
  OR ( resid 15 and name HN )
     ( resid 14 and name HA )
ASSI ( resid 16 and name HN )
     ( resid 16 and name HA )
     6.0 0.1 0.1 peak 55 volume 284.53119 ppm1 8.3318748 ppm2 4.3057017
ASSI ( resid 25 and name HN )
     ( resid 24 and name HA )
     6.0 0.1 0.1 peak 56 volume 453.43051 ppm1 8.2551765 ppm2 4.1574817
  OR ( resid 26 and name HN )
     ( resid 24 and name HA )
ASSI ( resid 4 and name HN )
     ( resid 4 and name HA )
     6.0 0.1 0.1 peak 57 volume 78.66310 ppm1 8.2782164 ppm2 4.0399275
ASSI ( resid 15 and name HN )
     ( resid 15 and name HA )
     6.0 0.1 0.1 peak 58 volume 153.42310 ppm1 8.2960300 ppm2 3.9326839
ASSI ( resid 16 and name HN )
     ( resid 15 and name HA )
     6.0 0.1 0.1 peak 59 volume 329.34741 ppm1 8.3314466 ppm2 3.9313161
ASSI ( resid 13 and name HN )
     ( resid 12 and name HA2 )
     6.0 0.1 0.1 peak 60 volume 490.76370 ppm1 8.4873257 ppm2 3.9066267
  OR ( resid 13 and name HN )
     ( resid 12 and name HA1 )
ASSI ( resid 11 and name HN )
     ( resid 11 and name HA1 )
     6.0 0.1 0.1 peak 61 volume 161.51230 ppm1 8.6428280 ppm2 4.0072474
ASSI ( resid 22 and name HN )
     ( resid 21 and name HA2 )
     6.0 0.1 0.1 peak 62 volume 260.68579 ppm1 8.7262564 ppm2 3.9016604
  OR ( resid 22 and name HN )
     ( resid 22 and name HB1 )
ASSI ( resid 7 and name HN )
     ( resid 7 and name HB1 )
     6.0 0.1 0.1 peak 63 volume 65.49110 ppm1 8.7469015 ppm2 3.8337588
ASSI ( resid 2 and name HN )
     ( resid 1 and name HA )
     6.0 0.1 0.1 peak 64 volume 54.02620 ppm1 8.7547293 ppm2 3.9074795
ASSI ( resid 8 and name HN )
     ( resid 7 and name HB1 )
     6.0 0.1 0.1 peak 65 volume 51.92410 ppm1 8.7986736 ppm2 3.8370750
ASSI ( resid 8 and name HN )
     ( resid 7 and name HB2 )
     6.0 0.1 0.1 peak 66 volume 147.34050 ppm1 8.8015633 ppm2 3.6710911
  OR ( resid 8 and name HN )
     ( resid 28 and name HB1 )
  OR ( resid 20 and name HN )
     ( resid 7 and name HB2 )
  OR ( resid 20 and name HN )
     ( resid 28 and name HB1 )
ASSI ( resid 7 and name HN )
     ( resid 6 and name HA2 )
     6.0 0.1 0.1 peak 67 volume 340.58719 ppm1 8.7481251 ppm2 3.6424420
  OR ( resid 7 and name HN )
     ( resid 28 and name HB1 )
  OR ( resid 7 and name HN )
     ( resid 28 and name HB2 )
  OR ( resid 22 and name HN )
     ( resid 6 and name HA2 )
  OR ( resid 22 and name HN )
     ( resid 28 and name HB1 )
  OR ( resid 22 and name HN )
     ( resid 28 and name HB2 )
ASSI ( resid 11 and name HN )
     ( resid 11 and name HA2 )
     6.0 0.1 0.1 peak 68 volume 325.56750 ppm1 8.6419735 ppm2 3.5055726
ASSI ( resid 22 and name HN )
     ( resid 22 and name HB2 )
     6.0 0.1 0.1 peak 69 volume 199.12410 ppm1 8.7291241 ppm2 3.6907389
  OR ( resid 22 and name HN )
     ( resid 7 and name HB2 )
  OR ( resid 7 and name HN )
     ( resid 22 and name HB2 )
  OR ( resid 7 and name HN )
     ( resid 7 and name HB2 )
ASSI ( resid 29 and name HN )
     ( resid 28 and name HB2 )
     6.0 0.1 0.1 peak 70 volume 114.63890 ppm1 8.5908155 ppm2 3.6435106
  OR ( resid 29 and name HN )
     ( resid 28 and name HB1 )
  OR ( resid 29 and name HN )
     ( resid 6 and name HA2 )
ASSI ( resid 5 and name HN )
     ( resid 5 and name HA1 )
     6.0 0.1 0.1 peak 71 volume 123.43570 ppm1 9.0334139 ppm2 4.1602163
ASSI ( resid 5 and name HN )
     ( resid 4 and name HA )
     6.0 0.1 0.1 peak 72 volume 539.11267 ppm1 9.0344009 ppm2 4.0399504
ASSI ( resid 5 and name HN )
     ( resid 5 and name HA2 )
     6.0 0.1 0.1 peak 73 volume 322.81812 ppm1 9.0320091 ppm2 3.8329720
ASSI ( resid 28 and name HN )
     ( resid 28 and name HB1 )
     6.0 0.1 0.1 peak 74 volume 237.71390 ppm1 9.1373701 ppm2 3.6672707
  OR ( resid 28 and name HN )
     ( resid 28 and name HB2 )
ASSI ( resid 9 and name HN )
     ( resid 28 and name HB2 )
     6.0 0.1 0.1 peak 75 volume 31.01180 ppm1 9.4283152 ppm2 3.6600916
  OR ( resid 9 and name HN )
     ( resid 28 and name HB1 )
ASSI ( resid 9 and name HN )
     ( resid 9 and name HB1 )
     6.0 0.1 0.1 peak 76 volume 77.44020 ppm1 9.4273024 ppm2 3.2804706
ASSI ( resid 10 and name HN )
     ( resid 9 and name HB1 )
     6.0 0.1 0.1 peak 77 volume 68.98820 ppm1 9.2555065 ppm2 3.2812076
ASSI ( resid 10 and name HN )
     ( resid 10 and name HB1 )
     6.0 0.1 0.1 peak 78 volume 121.71270 ppm1 9.2559347 ppm2 3.1363454
ASSI ( resid 10 and name HN )
     ( resid 10 and name HB2 )
     6.0 0.1 0.1 peak 79 volume 179.71170 ppm1 9.2559347 ppm2 2.9853327
  OR ( resid 10 and name HN )
     ( resid 14 and name HD1 )
ASSI ( resid 10 and name HN )
     ( resid 9 and name HB2 )
     6.0 0.1 0.1 peak 80 volume 15.09430 ppm1 9.2542830 ppm2 2.9053481
ASSI ( resid 28 and name HN )
     ( resid 9 and name HB2 )
     6.0 0.1 0.1 peak 81 volume 24.94010 ppm1 9.1373110 ppm2 2.8998210
ASSI ( resid 9 and name HN )
     ( resid 9 and name HB2 )
     6.0 0.1 0.1 peak 82 volume 180.96420 ppm1 9.4277296 ppm2 2.8965049
ASSI ( resid 3 and name HN )
     ( resid 3 and name HB1 )
     6.0 0.1 0.1 peak 83 volume 129.82291 ppm1 8.8858833 ppm2 3.1668143
  OR ( resid 3 and name HN )
     ( resid 2 and name HB1 )
ASSI ( resid 3 and name HN )
     ( resid 2 and name HB2 )
     6.0 0.1 0.1 peak 84 volume 48.07900 ppm1 8.8842325 ppm2 3.0421040
ASSI ( resid 8 and name HN )
     ( resid 8 and name HB1 )
     6.0 0.1 0.1 peak 85 volume 265.24481 ppm1 8.7998972 ppm2 2.8796692
  OR ( resid 8 and name HN )
     ( resid 19 and name HE2 )
  OR ( resid 8 and name HN )
     ( resid 19 and name HE1 )
  OR ( resid 20 and name HN )
     ( resid 8 and name HB1 )
  OR ( resid 20 and name HN )
     ( resid 19 and name HE2 )
  OR ( resid 20 and name HN )
     ( resid 19 and name HE1 )
ASSI ( resid 11 and name HN )
     ( resid 10 and name HB1 )
     6.0 0.1 0.1 peak 86 volume 53.77540 ppm1 8.6424007 ppm2 3.1378193
ASSI ( resid 11 and name HN )
     ( resid 10 and name HB2 )
     6.0 0.1 0.1 peak 87 volume 25.42090 ppm1 8.6436834 ppm2 2.9874301
  OR ( resid 11 and name HN )
     ( resid 14 and name HD1 )
ASSI ( resid 29 and name HN )
     ( resid 8 and name HB1 )
     6.0 0.1 0.1 peak 88 volume 27.64430 ppm1 8.5899086 ppm2 2.8845580
ASSI ( resid 25 and name HN )
     ( resid 25 and name HA1 )
     6.0 0.1 0.1 peak 89 volume 384.03091 ppm1 8.2638578 ppm2 3.7121096
  OR ( resid 26 and name HN )
     ( resid 25 and name HA1 )
ASSI ( resid 15 and name HN )
     ( resid 15 and name HB1 )
     6.0 0.1 0.1 peak 90 volume 286.61179 ppm1 8.2948265 ppm2 3.6488991
ASSI ( resid 16 and name HN )
     ( resid 15 and name HB1 )
     6.0 0.1 0.1 peak 91 volume 75.80630 ppm1 8.3318748 ppm2 3.6530142
ASSI ( resid 16 and name HN )
     ( resid 16 and name HB1 )
     6.0 0.1 0.1 peak 92 volume 46.14920 ppm1 8.3310194 ppm2 3.5572991
ASSI ( resid 23 and name HN )
     ( resid 22 and name HB1 )
     6.0 0.1 0.1 peak 93 volume 133.64850 ppm1 8.0951138 ppm2 3.8598063
ASSI ( resid 23 and name HN )
     ( resid 22 and name HB2 )
     6.0 0.1 0.1 peak 94 volume 124.11200 ppm1 8.0942593 ppm2 3.6897469
ASSI ( resid 16 and name HN )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 95 volume 51.22200 ppm1 8.3293095 ppm2 3.3376105
ASSI ( resid 25 and name HN )
     ( resid 25 and name HA2 )
     6.0 0.1 0.1 peak 96 volume 530.72571 ppm1 8.2618198 ppm2 3.3356745
  OR ( resid 25 and name HN )
     ( resid 26 and name HB1 )
  OR ( resid 26 and name HN )
     ( resid 25 and name HA2 )
  OR ( resid 26 and name HN )
     ( resid 26 and name HB1 )
ASSI ( resid 26 and name HN )
     ( resid 26 and name HB2 )
     6.0 0.1 0.1 peak 97 volume 91.29190 ppm1 8.2713709 ppm2 3.1839807
  OR ( resid 26 and name HN )
     ( resid 2 and name HB1 )
  OR ( resid 4 and name HN )
     ( resid 26 and name HB2 )
  OR ( resid 4 and name HN )
     ( resid 2 and name HB1 )
ASSI ( resid 23 and name HN )
     ( resid 23 and name HB1 )
     6.0 0.1 0.1 peak 98 volume 181.33910 ppm1 8.0942593 ppm2 3.1132457
  OR ( resid 23 and name HN )
     ( resid 23 and name HB2 )
ASSI ( resid 12 and name HN )
     ( resid 11 and name HA1 )
     6.0 0.1 0.1 peak 99 volume 140.34880 ppm1 7.9765496 ppm2 4.0116692
ASSI ( resid 12 and name HN )
     ( resid 12 and name HA2 )
     6.0 0.1 0.1 peak 100 volume 340.49911 ppm1 7.9756355 ppm2 3.9045320
  OR ( resid 12 and name HN )
     ( resid 12 and name HA1 )
ASSI ( resid 21 and name HN )
     ( resid 21 and name HA2 )
     6.0 0.1 0.1 peak 101 volume 181.35260 ppm1 7.8050637 ppm2 3.9052689
ASSI ( resid 6 and name HN )
     ( resid 5 and name HA2 )
     6.0 0.1 0.1 peak 102 volume 59.14870 ppm1 7.7450542 ppm2 3.8344784
ASSI ( resid 6 and name HN )
     ( resid 4 and name HA )
     6.0 0.1 0.1 peak 103 volume 34.96640 ppm1 7.7464433 ppm2 4.0418153
ASSI ( resid 6 and name HN )
     ( resid 6 and name HA2 )
     6.0 0.1 0.1 peak 104 volume 196.82840 ppm1 7.7449398 ppm2 3.6395953
ASSI ( resid 21 and name HN )
     ( resid 21 and name HA1 )
     6.0 0.1 0.1 peak 105 volume 115.57340 ppm1 7.8054910 ppm2 4.2393503
ASSI ( resid 24 and name HN )
     ( resid 24 and name HA )
     6.0 0.1 0.1 peak 106 volume 184.36349 ppm1 7.7569036 ppm2 4.1597342
  OR ( resid 24 and name HN )
     ( resid 5 and name HA1 )
  OR ( resid 6 and name HN )
     ( resid 24 and name HA )
  OR ( resid 6 and name HN )
     ( resid 5 and name HA1 )
ASSI ( resid 36 and name HN )
     ( resid 36 and name HA )
     6.0 0.1 0.1 peak 107 volume 70.82370 ppm1 7.5692167 ppm2 4.0222416
ASSI ( resid 17 and name HN )
     ( resid 15 and name HA )
     6.0 0.1 0.1 peak 108 volume 30.92680 ppm1 7.6071787 ppm2 3.9362941
  OR ( resid 17 and name HN )
     ( resid 33 and name HD1 )
ASSI ( resid 32 and name HE3 )
     ( resid 33 and name HD1 )
     6.0 0.1 0.1 peak 109 volume 73.26010 ppm1 7.5322461 ppm2 3.9361062
ASSI ( resid 12 and name HN )
     ( resid 11 and name HA2 )
     6.0 0.1 0.1 peak 110 volume 76.92330 ppm1 7.9776597 ppm2 3.5014875
ASSI ( resid 35 and name HN )
     ( resid 34 and name HB1 )
     6.0 0.1 0.1 peak 111 volume 58.16540 ppm1 7.9148273 ppm2 3.3721328
ASSI ( resid 34 and name HE3 )
     ( resid 34 and name HB2 )
     6.0 0.1 0.1 peak 112 volume 196.25810 ppm1 7.6717725 ppm2 3.3556652
ASSI ( resid 24 and name HN )
     ( resid 23 and name HB2 )
     6.0 0.1 0.1 peak 113 volume 222.48801 ppm1 7.7592764 ppm2 3.1138408
  OR ( resid 24 and name HN )
     ( resid 23 and name HB1 )
ASSI ( resid 32 and name HE3 )
     ( resid 33 and name HD2 )
     6.0 0.1 0.1 peak 114 volume 148.51930 ppm1 7.5341697 ppm2 3.4534321
ASSI ( resid 17 and name HN )
     ( resid 16 and name HB1 )
     6.0 0.1 0.1 peak 115 volume 26.05060 ppm1 7.6077304 ppm2 3.5577760
ASSI ( resid 24 and name HN )
     ( resid 24 and name HB1 )
     6.0 0.1 0.1 peak 116 volume 114.14390 ppm1 7.7592764 ppm2 2.9504988
ASSI ( resid 24 and name HN )
     ( resid 24 and name HB2 )
     6.0 0.1 0.1 peak 117 volume 97.86620 ppm1 7.7588019 ppm2 2.8566377
ASSI ( resid 35 and name HN )
     ( resid 35 and name HB1 )
     6.0 0.1 0.1 peak 118 volume 55.62060 ppm1 7.9146094 ppm2 2.7936854
ASSI ( resid 35 and name HD21 )
     ( resid 35 and name HB1 )
     6.0 0.1 0.1 peak 119 volume 55.76900 ppm1 7.5770488 ppm2 2.7952631
  OR ( resid 36 and name HN )
     ( resid 35 and name HB1 )
ASSI ( resid 26 and name HD1 )
     ( resid 25 and name HA2 )
     6.0 0.1 0.1 peak 120 volume 148.77170 ppm1 7.2020478 ppm2 3.3450933
  OR ( resid 26 and name HD1 )
     ( resid 26 and name HB1 )
  OR ( resid 26 and name HD2 )
     ( resid 25 and name HA2 )
  OR ( resid 26 and name HD2 )
     ( resid 26 and name HB1 )
ASSI ( resid 34 and name HD1 )
     ( resid 34 and name HB2 )
     6.0 0.1 0.1 peak 121 volume 200.80290 ppm1 7.1481895 ppm2 3.3486037
  OR ( resid 34 and name HD1 )
     ( resid 16 and name HB2 )
  OR ( resid 32 and name HZ3 )
     ( resid 34 and name HB2 )
  OR ( resid 32 and name HZ3 )
     ( resid 16 and name HB2 )
  OR ( resid 34 and name HH2 )
     ( resid 34 and name HB2 )
  OR ( resid 34 and name HH2 )
     ( resid 16 and name HB2 )
ASSI ( resid 26 and name HD2 )
     ( resid 26 and name HB2 )
     6.0 0.1 0.1 peak 122 volume 171.75520 ppm1 7.2023969 ppm2 3.1935987
  OR ( resid 26 and name HD1 )
     ( resid 26 and name HB2 )
ASSI ( resid 2 and name HD1 )
     ( resid 2 and name HB1 )
     6.0 0.1 0.1 peak 123 volume 207.04790 ppm1 7.3088651 ppm2 3.1671591
  OR ( resid 2 and name HD1 )
     ( resid 3 and name HB1 )
  OR ( resid 2 and name HD2 )
     ( resid 2 and name HB1 )
  OR ( resid 2 and name HD2 )
     ( resid 3 and name HB1 )
ASSI ( resid 2 and name HD2 )
     ( resid 2 and name HB2 )
     6.0 0.1 0.1 peak 124 volume 165.57091 ppm1 7.3076549 ppm2 3.0368891
  OR ( resid 2 and name HD1 )
     ( resid 2 and name HB2 )
ASSI ( resid 10 and name HD1 )
     ( resid 10 and name HB2 )
     6.0 0.1 0.1 peak 125 volume 176.73621 ppm1 7.2950149 ppm2 2.9855876
  OR ( resid 10 and name HD2 )
     ( resid 10 and name HB2 )
  OR ( resid 26 and name HZ )
     ( resid 10 and name HB2 )
ASSI ( resid 10 and name HD2 )
     ( resid 10 and name HB1 )
     6.0 0.1 0.1 peak 126 volume 210.05840 ppm1 7.2950816 ppm2 3.1366854
  OR ( resid 10 and name HD1 )
     ( resid 10 and name HB1 )
  OR ( resid 26 and name HZ )
     ( resid 10 and name HB1 )
ASSI ( resid 10 and name HZ )
     ( resid 8 and name HB1 )
     6.0 0.1 0.1 peak 127 volume 109.42270 ppm1 7.3840289 ppm2 2.8808825
  OR ( resid 10 and name HZ )
     ( resid 9 and name HB2 )
ASSI ( resid 24 and name HD1 )
     ( resid 23 and name HB2 )
     6.0 0.1 0.1 peak 128 volume 19.00650 ppm1 7.1122704 ppm2 3.1124375
  OR ( resid 24 and name HD1 )
     ( resid 23 and name HB1 )
  OR ( resid 24 and name HD2 )
     ( resid 23 and name HB2 )
  OR ( resid 24 and name HD2 )
     ( resid 23 and name HB1 )
ASSI ( resid 24 and name HD2 )
     ( resid 24 and name HB1 )
     6.0 0.1 0.1 peak 129 volume 167.56419 ppm1 7.1109009 ppm2 2.9495635
  OR ( resid 24 and name HD1 )
     ( resid 24 and name HB1 )
ASSI ( resid 24 and name HD2 )
     ( resid 24 and name HB2 )
     6.0 0.1 0.1 peak 130 volume 188.33749 ppm1 7.1102028 ppm2 2.8606791
  OR ( resid 24 and name HD1 )
     ( resid 24 and name HB2 )
ASSI ( resid 9 and name HD2 )
     ( resid 9 and name HB2 )
     6.0 0.1 0.1 peak 131 volume 72.02640 ppm1 6.9171472 ppm2 2.8948326
ASSI ( resid 9 and name HD2 )
     ( resid 30 and name HB1 )
     6.0 0.1 0.1 peak 132 volume 173.52299 ppm1 6.9167981 ppm2 2.7102048
ASSI ( resid 24 and name HD1 )
     ( resid 25 and name HA1 )
     6.0 0.1 0.1 peak 133 volume 29.69590 ppm1 7.1100616 ppm2 3.7039752
  OR ( resid 24 and name HD2 )
     ( resid 25 and name HA1 )
ASSI ( resid 16 and name HD2 )
     ( resid 16 and name HB1 )
     6.0 0.1 0.1 peak 134 volume 38.22760 ppm1 7.1079612 ppm2 3.5585215
ASSI ( resid 32 and name HZ3 )
     ( resid 16 and name HB1 )
     6.0 0.1 0.1 peak 135 volume 30.60320 ppm1 7.1472445 ppm2 3.5559428
  OR ( resid 34 and name HH2 )
     ( resid 16 and name HB1 )
ASSI ( resid 34 and name HH2 )
     ( resid 33 and name HD2 )
     6.0 0.1 0.1 peak 136 volume 23.55770 ppm1 7.1599207 ppm2 3.4569600
ASSI ( resid 34 and name HN )
     ( resid 33 and name HD2 )
     6.0 0.1 0.1 peak 137 volume 28.67100 ppm1 6.9975405 ppm2 3.4526842
  OR ( resid 34 and name HZ3 )
     ( resid 33 and name HD2 )
ASSI ( resid 9 and name HD2 )
     ( resid 7 and name HB2 )
     6.0 0.1 0.1 peak 138 volume 25.97420 ppm1 6.9178739 ppm2 3.6687012
  OR ( resid 9 and name HD2 )
     ( resid 28 and name HB2 )
  OR ( resid 9 and name HD2 )
     ( resid 28 and name HB1 )
ASSI ( resid 34 and name HN )
     ( resid 34 and name HB1 )
     6.0 0.1 0.1 peak 139 volume 161.28020 ppm1 6.9960032 ppm2 3.3547583
  OR ( resid 34 and name HN )
     ( resid 34 and name HB2 )
ASSI ( resid 9 and name HD2 )
     ( resid 9 and name HB1 )
     6.0 0.1 0.1 peak 140 volume 32.02480 ppm1 6.9171472 ppm2 3.2768712
ASSI ( resid 27 and name HE )
     ( resid 23 and name HB2 )
     6.0 0.1 0.1 peak 141 volume 26.42360 ppm1 6.8331218 ppm2 3.1160233
  OR ( resid 27 and name HE )
     ( resid 23 and name HB1 )
ASSI ( resid 27 and name HE )
     ( resid 27 and name HD1 )
     6.0 0.1 0.1 peak 142 volume 91.37620 ppm1 6.8306785 ppm2 2.7627532
ASSI ( resid 35 and name HD22 )
     ( resid 35 and name HB1 )
     6.0 0.1 0.1 peak 143 volume 18.87890 ppm1 6.9699507 ppm2 2.7987773
ASSI ( resid 27 and name HE )
     ( resid 27 and name HD2 )
     6.0 0.1 0.1 peak 144 volume 69.29780 ppm1 6.8310275 ppm2 2.6873603
ASSI ( resid 9 and name HD2 )
     ( resid 30 and name HB2 )
     6.0 0.1 0.1 peak 145 volume 48.30440 ppm1 6.9161344 ppm2 2.5300746
ASSI ( resid 32 and name HD1 )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 146 volume 110.81040 ppm1 7.2508707 ppm2 2.3997333
ASSI ( resid 32 and name HE3 )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 147 volume 57.46630 ppm1 7.5324888 ppm2 2.4001300
ASSI ( resid 35 and name HD21 )
     ( resid 35 and name HB2 )
     6.0 0.1 0.1 peak 148 volume 71.02610 ppm1 7.5794253 ppm2 2.5596457
  OR ( resid 36 and name HN )
     ( resid 35 and name HB2 )
ASSI ( resid 17 and name HN )
     ( resid 13 and name HB2 )
     6.0 0.1 0.1 peak 149 volume 32.20760 ppm1 7.6068745 ppm2 2.4714699
  OR ( resid 17 and name HN )
     ( resid 13 and name HB1 )
ASSI ( resid 35 and name HN )
     ( resid 35 and name HB2 )
     6.0 0.1 0.1 peak 150 volume 119.90290 ppm1 7.9159412 ppm2 2.5587103
ASSI ( resid 21 and name HN )
     ( resid 29 and name HB2 )
     6.0 0.1 0.1 peak 151 volume 35.06070 ppm1 7.8064208 ppm2 2.4486253
ASSI ( resid 32 and name HD1 )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 152 volume 69.87270 ppm1 7.2498236 ppm2 2.1716835
ASSI ( resid 32 and name HE3 )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 153 volume 108.01730 ppm1 7.5342340 ppm2 2.1713717
ASSI ( resid 34 and name HN )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 154 volume 74.62000 ppm1 6.9963522 ppm2 2.1907868
  OR ( resid 34 and name HZ3 )
     ( resid 32 and name HB2 )
ASSI ( resid 34 and name HN )
     ( resid 33 and name HB2 )
     6.0 0.1 0.1 peak 155 volume 77.23030 ppm1 6.9959288 ppm2 1.9487242
  OR ( resid 34 and name HZ3 )
     ( resid 33 and name HB2 )
ASSI ( resid 34 and name HE3 )
     ( resid 33 and name HG2 )
     6.0 0.1 0.1 peak 156 volume 19.18580 ppm1 7.6786084 ppm2 2.0542643
  OR ( resid 34 and name HE3 )
     ( resid 33 and name HG1 )
ASSI ( resid 34 and name HE3 )
     ( resid 33 and name HB2 )
     6.0 0.1 0.1 peak 157 volume 38.84860 ppm1 7.6726003 ppm2 1.9494727
ASSI ( resid 25 and name HN )
     ( resid 24 and name HB1 )
     6.0 0.1 0.1 peak 158 volume 59.48580 ppm1 8.2534380 ppm2 2.9514341
ASSI ( resid 25 and name HN )
     ( resid 24 and name HB2 )
     6.0 0.1 0.1 peak 159 volume 52.46280 ppm1 8.2555323 ppm2 2.8606791
ASSI ( resid 15 and name HN )
     ( resid 14 and name HB1 )
     6.0 0.1 0.1 peak 160 volume 83.04760 ppm1 8.2941580 ppm2 2.2489471
ASSI ( resid 32 and name HN )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 161 volume 83.93150 ppm1 8.3880310 ppm2 2.1707482
ASSI ( resid 32 and name HN )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 162 volume 191.54860 ppm1 8.3876820 ppm2 2.3984861
ASSI ( resid 13 and name HN )
     ( resid 13 and name HB1 )
     6.0 0.1 0.1 peak 163 volume 344.42001 ppm1 8.4878378 ppm2 2.4695992
  OR ( resid 13 and name HN )
     ( resid 13 and name HB2 )
ASSI ( resid 29 and name HN )
     ( resid 29 and name HB2 )
     6.0 0.1 0.1 peak 164 volume 199.43150 ppm1 8.5926409 ppm2 2.4458563
ASSI ( resid 29 and name HN )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 165 volume 117.77860 ppm1 8.5921898 ppm2 2.5981643
ASSI ( resid 7 and name HN )
     ( resid 30 and name HB1 )
     6.0 0.1 0.1 peak 166 volume 39.57810 ppm1 8.7456837 ppm2 2.7078884
ASSI ( resid 8 and name HN )
     ( resid 8 and name HB2 )
     6.0 0.1 0.1 peak 167 volume 123.95050 ppm1 8.7999792 ppm2 2.4245334
ASSI ( resid 3 and name HN )
     ( resid 3 and name HB2 )
     6.0 0.1 0.1 peak 168 volume 71.84310 ppm1 8.8847027 ppm2 2.5916169
  OR ( resid 3 and name HN )
     ( resid 29 and name HB1 )
ASSI ( resid 30 and name HN )
     ( resid 30 and name HB2 )
     6.0 0.1 0.1 peak 169 volume 63.29440 ppm1 8.9906139 ppm2 2.5358551
ASSI ( resid 30 and name HN )
     ( resid 30 and name HB1 )
     6.0 0.1 0.1 peak 170 volume 186.11670 ppm1 8.9921961 ppm2 2.7108283
ASSI ( resid 31 and name HN )
     ( resid 30 and name HB2 )
     6.0 0.1 0.1 peak 171 volume 57.59870 ppm1 9.3162746 ppm2 2.5321741
ASSI ( resid 9 and name HN )
     ( resid 8 and name HB2 )
     6.0 0.1 0.1 peak 172 volume 51.62300 ppm1 9.4271965 ppm2 2.4225779
ASSI ( resid 13 and name HN )
     ( resid 14 and name HB1 )
     6.0 0.1 0.1 peak 173 volume 11.81490 ppm1 8.4878378 ppm2 2.2480118
  OR ( resid 16 and name HE1 )
     ( resid 14 and name HB1 )
ASSI ( resid 20 and name HN )
     ( resid 20 and name HB )
     6.0 0.1 0.1 peak 174 volume 71.12840 ppm1 8.8039818 ppm2 2.1614029
ASSI ( resid 31 and name HN )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 175 volume 60.31150 ppm1 9.3151083 ppm2 1.8877015
ASSI ( resid 31 and name HN )
     ( resid 18 and name HB )
     6.0 0.1 0.1 peak 176 volume 17.65040 ppm1 9.3127747 ppm2 1.6461596
ASSI ( resid 31 and name HN )
     ( resid 31 and name HB2 )
     6.0 0.1 0.1 peak 177 volume 135.60741 ppm1 9.3162746 ppm2 1.4529983
ASSI ( resid 9 and name HN )
     ( resid 27 and name HB2 )
     6.0 0.1 0.1 peak 178 volume 85.15180 ppm1 9.4283152 ppm2 1.3963135
ASSI ( resid 28 and name HN )
     ( resid 27 and name HB2 )
     6.0 0.1 0.1 peak 179 volume 166.12480 ppm1 9.1374760 ppm2 1.3916212
ASSI ( resid 31 and name HN )
     ( resid 31 and name HG1 )
     6.0 0.1 0.1 peak 180 volume 69.74880 ppm1 9.3129616 ppm2 1.2738582
  OR ( resid 31 and name HN )
     ( resid 17 and name HB1 )
ASSI ( resid 31 and name HN )
     ( resid 31 and name HG2 )
     6.0 0.1 0.1 peak 181 volume 26.49280 ppm1 9.3133411 ppm2 1.1829334
ASSI ( resid 31 and name HN )
     ( resid 17 and name HG )
     6.0 0.1 0.1 peak 182 volume 53.88780 ppm1 9.3145075 ppm2 0.9998816
ASSI ( resid 5 and name HN )
     ( resid 4 and name HB1 )
     6.0 0.1 0.1 peak 183 volume 21.44060 ppm1 9.0322180 ppm2 1.7423120
ASSI ( resid 5 and name HN )
     ( resid 4 and name HD2 )
     6.0 0.1 0.1 peak 184 volume 33.84950 ppm1 9.0337553 ppm2 1.6729279
  OR ( resid 5 and name HN )
     ( resid 4 and name HB2 )
  OR ( resid 5 and name HN )
     ( resid 4 and name HD1 )
ASSI ( resid 18 and name HN )
     ( resid 18 and name HB )
     6.0 0.1 0.1 peak 185 volume 73.09280 ppm1 8.9472866 ppm2 1.6516420
ASSI ( resid 5 and name HN )
     ( resid 4 and name HG1 )
     6.0 0.1 0.1 peak 186 volume 19.04190 ppm1 9.0330572 ppm2 1.4222603
ASSI ( resid 5 and name HN )
     ( resid 4 and name HG2 )
     6.0 0.1 0.1 peak 187 volume 21.23410 ppm1 9.0343122 ppm2 1.3339994
ASSI ( resid 18 and name HN )
     ( resid 18 and name HG11 )
     6.0 0.1 0.1 peak 188 volume 49.41760 ppm1 8.9477024 ppm2 1.3417938
ASSI ( resid 18 and name HN )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 189 volume 44.03840 ppm1 8.9472122 ppm2 1.2667127
  OR ( resid 18 and name HN )
     ( resid 31 and name HG1 )
ASSI ( resid 20 and name HN )
     ( resid 19 and name HG2 )
     6.0 0.1 0.1 peak 190 volume 65.53650 ppm1 8.8056383 ppm2 1.3518556
  OR ( resid 20 and name HN )
     ( resid 19 and name HG1 )
  OR ( resid 20 and name HN )
     ( resid 18 and name HG11 )
ASSI ( resid 20 and name HN )
     ( resid 19 and name HD1 )
     6.0 0.1 0.1 peak 191 volume 45.96410 ppm1 8.8031950 ppm2 1.4667023
  OR ( resid 20 and name HN )
     ( resid 19 and name HD2 )
  OR ( resid 20 and name HN )
     ( resid 31 and name HB2 )
  OR ( resid 20 and name HN )
     ( resid 27 and name HB1 )
  OR ( resid 8 and name HN )
     ( resid 19 and name HD1 )
  OR ( resid 8 and name HN )
     ( resid 19 and name HD2 )
  OR ( resid 8 and name HN )
     ( resid 31 and name HB2 )
  OR ( resid 8 and name HN )
     ( resid 27 and name HB1 )
ASSI ( resid 20 and name HN )
     ( resid 18 and name HB )
     6.0 0.1 0.1 peak 192 volume 33.27590 ppm1 8.8034029 ppm2 1.6409566
  OR ( resid 20 and name HN )
     ( resid 19 and name HB2 )
ASSI ( resid 3 and name HN )
     ( resid 1 and name HB2 )
     6.0 0.1 0.1 peak 193 volume 16.96690 ppm1 8.8840046 ppm2 1.5899671
  OR ( resid 3 and name HN )
     ( resid 1 and name HB1 )
  OR ( resid 3 and name HN )
     ( resid 1 and name HG )
ASSI ( resid 19 and name HN )
     ( resid 19 and name HB1 )
     6.0 0.1 0.1 peak 194 volume 303.62830 ppm1 8.5674496 ppm2 1.8537629
ASSI ( resid 19 and name HN )
     ( resid 19 and name HB2 )
     6.0 0.1 0.1 peak 195 volume 363.25519 ppm1 8.5680895 ppm2 1.6440744
  OR ( resid 19 and name HN )
     ( resid 18 and name HB )
ASSI ( resid 29 and name HN )
     ( resid 19 and name HD2 )
     6.0 0.1 0.1 peak 196 volume 30.45600 ppm1 8.5910988 ppm2 1.4688157
  OR ( resid 29 and name HN )
     ( resid 19 and name HD1 )
ASSI ( resid 19 and name HN )
     ( resid 19 and name HG1 )
     6.0 0.1 0.1 peak 197 volume 35.80230 ppm1 8.5671167 ppm2 1.3355583
  OR ( resid 19 and name HN )
     ( resid 19 and name HG2 )
  OR ( resid 19 and name HN )
     ( resid 18 and name HG11 )
ASSI ( resid 32 and name HN )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 198 volume 133.31709 ppm1 8.3855877 ppm2 1.8847651
ASSI ( resid 32 and name HN )
     ( resid 31 and name HB2 )
     6.0 0.1 0.1 peak 199 volume 40.39980 ppm1 8.3892860 ppm2 1.4575759
ASSI ( resid 4 and name HN )
     ( resid 4 and name HB1 )
     6.0 0.1 0.1 peak 200 volume 187.54449 ppm1 8.2789078 ppm2 1.7430040
ASSI ( resid 4 and name HN )
     ( resid 4 and name HB2 )
     6.0 0.1 0.1 peak 201 volume 344.05310 ppm1 8.2810202 ppm2 1.6715163
  OR ( resid 4 and name HN )
     ( resid 14 and name HB2 )
  OR ( resid 4 and name HN )
     ( resid 4 and name HD2 )
  OR ( resid 4 and name HN )
     ( resid 4 and name HD1 )
  OR ( resid 15 and name HN )
     ( resid 4 and name HB2 )
  OR ( resid 15 and name HN )
     ( resid 14 and name HB2 )
  OR ( resid 15 and name HN )
     ( resid 4 and name HD2 )
  OR ( resid 15 and name HN )
     ( resid 4 and name HD1 )
ASSI ( resid 4 and name HN )
     ( resid 4 and name HG1 )
     6.0 0.1 0.1 peak 202 volume 29.89860 ppm1 8.2774305 ppm2 1.4135864
  OR ( resid 4 and name HN )
     ( resid 27 and name HB2 )
  OR ( resid 26 and name HN )
     ( resid 4 and name HG1 )
  OR ( resid 26 and name HN )
     ( resid 27 and name HB2 )
ASSI ( resid 23 and name HN )
     ( resid 27 and name HB2 )
     6.0 0.1 0.1 peak 203 volume 16.37240 ppm1 8.0954237 ppm2 1.4196333
ASSI ( resid 4 and name HN )
     ( resid 3 and name HB2 )
     6.0 0.1 0.1 peak 204 volume 26.17150 ppm1 8.2779531 ppm2 2.5881875
  OR ( resid 4 and name HN )
     ( resid 29 and name HB1 )
ASSI ( resid 21 and name HN )
     ( resid 19 and name HD2 )
     6.0 0.1 0.1 peak 205 volume 65.83010 ppm1 7.8063540 ppm2 1.4788617
  OR ( resid 21 and name HN )
     ( resid 19 and name HD1 )
ASSI ( resid 21 and name HN )
     ( resid 19 and name HG2 )
     6.0 0.1 0.1 peak 206 volume 112.68320 ppm1 7.8046088 ppm2 1.3502969
  OR ( resid 21 and name HN )
     ( resid 19 and name HG1 )
ASSI ( resid 17 and name HN )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 207 volume 231.65910 ppm1 7.6086197 ppm2 1.2570475
ASSI ( resid 36 and name HN )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 208 volume 185.60060 ppm1 7.5689464 ppm2 1.2761509
  OR ( resid 36 and name HN )
     ( resid 31 and name HG1 )
  OR ( resid 35 and name HD21 )
     ( resid 36 and name HB1 )
  OR ( resid 35 and name HD21 )
     ( resid 31 and name HG1 )
ASSI ( resid 17 and name HN )
     ( resid 17 and name HG )
     6.0 0.1 0.1 peak 209 volume 54.71760 ppm1 7.6079216 ppm2 0.9992092
ASSI ( resid 10 and name HD2 )
     ( resid 27 and name HB1 )
     6.0 0.1 0.1 peak 210 volume 50.95960 ppm1 7.2971311 ppm2 1.4564866
  OR ( resid 10 and name HD1 )
     ( resid 27 and name HB1 )
ASSI ( resid 34 and name HN )
     ( resid 33 and name HG1 )
     6.0 0.1 0.1 peak 211 volume 17.29040 ppm1 6.9962111 ppm2 2.0521603
  OR ( resid 34 and name HN )
     ( resid 33 and name HG2 )
  OR ( resid 34 and name HZ3 )
     ( resid 33 and name HG1 )
  OR ( resid 34 and name HZ3 )
     ( resid 33 and name HG2 )
ASSI ( resid 27 and name HN )
     ( resid 27 and name HB1 )
     6.0 0.1 0.1 peak 212 volume 256.51431 ppm1 7.0644965 ppm2 1.4400157
ASSI ( resid 27 and name HE )
     ( resid 27 and name HB2 )
     6.0 0.1 0.1 peak 213 volume 63.88540 ppm1 6.8303294 ppm2 1.4053394
ASSI ( resid 27 and name HE )
     ( resid 27 and name HB1 )
     6.0 0.1 0.1 peak 214 volume 124.03700 ppm1 6.8317256 ppm2 1.4645200
ASSI ( resid 27 and name HE )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 215 volume 37.72770 ppm1 6.8292842 ppm2 0.9202647
  OR ( resid 27 and name HE )
     ( resid 27 and name HG2 )
ASSI ( resid 34 and name HN )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 216 volume 26.99910 ppm1 6.9858203 ppm2 0.7774111
ASSI ( resid 35 and name HD22 )
     ( resid 20 and name HG22 )
     6.0 0.1 0.1 peak 217 volume 28.44650 ppm1 6.9854589 ppm2 0.7144584
  OR ( resid 35 and name HD22 )
     ( resid 20 and name HG21 )
  OR ( resid 35 and name HD22 )
     ( resid 20 and name HG23 )
ASSI ( resid 27 and name HN )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 218 volume 30.81320 ppm1 7.0612388 ppm2 0.9210103
  OR ( resid 27 and name HN )
     ( resid 27 and name HG2 )
ASSI ( resid 10 and name HD2 )
     ( resid 27 and name HG2 )
     6.0 0.1 0.1 peak 219 volume 62.87070 ppm1 7.2949400 ppm2 0.9206985
  OR ( resid 10 and name HD2 )
     ( resid 27 and name HG1 )
  OR ( resid 10 and name HD1 )
     ( resid 27 and name HG2 )
  OR ( resid 10 and name HD1 )
     ( resid 27 and name HG1 )
ASSI ( resid 17 and name HN )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 220 volume 112.44310 ppm1 7.6061764 ppm2 0.7917368
ASSI ( resid 32 and name HE3 )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 221 volume 16.09380 ppm1 7.5314417 ppm2 0.2529037
  OR ( resid 32 and name HE3 )
     ( resid 17 and name HD13 )
  OR ( resid 32 and name HE3 )
     ( resid 17 and name HD12 )
ASSI ( resid 17 and name HN )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 222 volume 42.43170 ppm1 7.6058273 ppm2 0.2535272
  OR ( resid 17 and name HN )
     ( resid 17 and name HD12 )
  OR ( resid 17 and name HN )
     ( resid 17 and name HD13 )
ASSI ( resid 21 and name HN )
     ( resid 20 and name HG11 )
     6.0 0.1 0.1 peak 223 volume 24.54300 ppm1 7.8048167 ppm2 0.8593354
  OR ( resid 21 and name HN )
     ( resid 20 and name HG12 )
  OR ( resid 21 and name HN )
     ( resid 20 and name HG13 )
ASSI ( resid 21 and name HN )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 224 volume 50.07250 ppm1 7.8042598 ppm2 0.6928756
  OR ( resid 21 and name HN )
     ( resid 20 and name HG23 )
  OR ( resid 21 and name HN )
     ( resid 20 and name HG22 )
ASSI ( resid 19 and name HN )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 225 volume 118.89900 ppm1 8.5668344 ppm2 0.7695157
ASSI ( resid 20 and name HN )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 226 volume 145.24969 ppm1 8.8056383 ppm2 0.6885108
  OR ( resid 20 and name HN )
     ( resid 20 and name HG23 )
  OR ( resid 20 and name HN )
     ( resid 20 and name HG22 )
ASSI ( resid 32 and name HN )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 227 volume 27.53600 ppm1 8.3842583 ppm2 -0.1516676
  OR ( resid 32 and name HN )
     ( resid 17 and name HD22 )
  OR ( resid 32 and name HN )
     ( resid 17 and name HD23 )
ASSI ( resid 18 and name HN )
     ( resid 17 and name HG )
     6.0 0.1 0.1 peak 228 volume 182.13319 ppm1 8.9458160 ppm2 0.9939091
ASSI ( resid 18 and name HN )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 229 volume 64.30680 ppm1 8.9474955 ppm2 0.7827464
ASSI ( resid 31 and name HN )
     ( resid 20 and name HG22 )
     6.0 0.1 0.1 peak 230 volume 41.77510 ppm1 9.3121738 ppm2 0.6998498
  OR ( resid 31 and name HN )
     ( resid 20 and name HG21 )
  OR ( resid 31 and name HN )
     ( resid 20 and name HG23 )
ASSI ( resid 18 and name HN )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 231 volume 16.19710 ppm1 8.9497299 ppm2 -0.1476145
  OR ( resid 18 and name HN )
     ( resid 17 and name HD21 )
  OR ( resid 18 and name HN )
     ( resid 17 and name HD23 )
ASSI ( resid 17 and name HN )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 232 volume 27.44940 ppm1 7.6066666 ppm2 -0.1563442
  OR ( resid 17 and name HN )
     ( resid 17 and name HD21 )
  OR ( resid 17 and name HN )
     ( resid 17 and name HD23 )
ASSI ( resid 32 and name HE3 )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 233 volume 71.82480 ppm1 7.5324888 ppm2 -0.1586117
  OR ( resid 32 and name HE3 )
     ( resid 17 and name HD22 )
  OR ( resid 32 and name HE3 )
     ( resid 17 and name HD23 )
ASSI ( resid 32 and name HZ2 )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 234 volume 21.24270 ppm1 7.4986830 ppm2 -0.1488616
  OR ( resid 32 and name HZ2 )
     ( resid 17 and name HD22 )
  OR ( resid 32 and name HZ2 )
     ( resid 17 and name HD23 )
ASSI ( resid 32 and name HD1 )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 235 volume 27.49650 ppm1 7.2510643 ppm2 -0.1554219
  OR ( resid 32 and name HD1 )
     ( resid 17 and name HD22 )
  OR ( resid 32 and name HD1 )
     ( resid 17 and name HD23 )
ASSI ( resid 32 and name HZ3 )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 236 volume 24.85380 ppm1 7.1423302 ppm2 -0.1558057
  OR ( resid 32 and name HZ3 )
     ( resid 17 and name HD22 )
  OR ( resid 32 and name HZ3 )
     ( resid 17 and name HD23 )
ASSI ( resid 16 and name HD2 )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 237 volume 26.60610 ppm1 7.1071281 ppm2 -0.1566560
  OR ( resid 16 and name HD2 )
     ( resid 17 and name HD21 )
  OR ( resid 16 and name HD2 )
     ( resid 17 and name HD23 )
ASSI ( resid 9 and name HD2 )
     ( resid 17 and name HD12 )
     6.0 0.1 0.1 peak 238 volume 27.64730 ppm1 6.9161000 ppm2 0.2529037
  OR ( resid 9 and name HD2 )
     ( resid 17 and name HD13 )
  OR ( resid 9 and name HD2 )
     ( resid 17 and name HD11 )
ASSI ( resid 35 and name HN )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 239 volume 17.18720 ppm1 7.9142628 ppm2 2.3982594
ASSI ( resid 21 and name HN )
     ( resid 20 and name HB )
     6.0 0.1 0.1 peak 240 volume 19.94080 ppm1 7.8030715 ppm2 2.1628690
ASSI ( resid 31 and name HN )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 241 volume 13.38640 ppm1 9.3145075 ppm2 0.7800027
  OR ( resid 31 and name HN )
     ( resid 17 and name HB2 )
ASSI ( resid 31 and name HN )
     ( resid 20 and name HG11 )
     6.0 0.1 0.1 peak 242 volume 19.12780 ppm1 9.3145075 ppm2 0.8554620
  OR ( resid 31 and name HN )
     ( resid 20 and name HG12 )
  OR ( resid 31 and name HN )
     ( resid 20 and name HG13 )
ASSI ( resid 32 and name HE1 )
     ( resid 32 and name HD1 )
     6.0 0.1 0.1 peak 243 volume 65.61550 ppm1 10.1540794 ppm2 7.2479844
ASSI ( resid 32 and name HE1 )
     ( resid 32 and name HZ2 )
     6.0 0.1 0.1 peak 244 volume 20.24720 ppm1 10.1524754 ppm2 7.4955339
ASSI ( resid 34 and name HE1 )
     ( resid 34 and name HD1 )
     6.0 0.1 0.1 peak 245 volume 63.57040 ppm1 10.0886354 ppm2 7.1441345
ASSI ( resid 34 and name HE1 )
     ( resid 34 and name HZ2 )
     6.0 0.1 0.1 peak 246 volume 35.26380 ppm1 10.0875883 ppm2 6.9776750
ASSI ( resid 9 and name HN )
     ( resid 9 and name HD2 )
     6.0 0.1 0.1 peak 247 volume 44.20470 ppm1 9.4271965 ppm2 6.9150648
ASSI ( resid 10 and name HN )
     ( resid 10 and name HD1 )
     6.0 0.1 0.1 peak 248 volume 24.62680 ppm1 9.2530718 ppm2 7.2889967
  OR ( resid 10 and name HN )
     ( resid 10 and name HD2 )
ASSI ( resid 30 and name HN )
     ( resid 9 and name HD2 )
     6.0 0.1 0.1 peak 249 volume 26.65530 ppm1 8.9922047 ppm2 6.9167624
ASSI ( resid 5 and name HN )
     ( resid 6 and name HN )
     6.0 0.1 0.1 peak 250 volume 131.40469 ppm1 9.0330572 ppm2 7.7426872
ASSI ( resid 20 and name HN )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 251 volume 171.34351 ppm1 8.8035440 ppm2 7.7999969
ASSI ( resid 11 and name HN )
     ( resid 12 and name HN )
     6.0 0.1 0.1 peak 252 volume 51.85900 ppm1 8.6464128 ppm2 7.9731236
ASSI ( resid 11 and name HN )
     ( resid 10 and name HD1 )
     6.0 0.1 0.1 peak 253 volume 17.19700 ppm1 8.6410122 ppm2 7.2977266
  OR ( resid 11 and name HN )
     ( resid 10 and name HD2 )
ASSI ( resid 3 and name HN )
     ( resid 4 and name HN )
     6.0 0.1 0.1 peak 254 volume 58.13230 ppm1 8.8865480 ppm2 8.2772779
ASSI ( resid 9 and name HN )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 255 volume 70.05030 ppm1 9.4273653 ppm2 9.1316967
ASSI ( resid 31 and name HN )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 256 volume 111.71060 ppm1 9.3135672 ppm2 8.9483452
ASSI ( resid 30 and name HN )
     ( resid 7 and name HN )
     6.0 0.1 0.1 peak 257 volume 115.51400 ppm1 8.9921961 ppm2 8.7480783
ASSI ( resid 16 and name HN )
     ( resid 17 and name HN )
     6.0 0.1 0.1 peak 258 volume 124.90440 ppm1 8.3321524 ppm2 7.6049953
ASSI ( resid 32 and name HN )
     ( resid 32 and name HD1 )
     6.0 0.1 0.1 peak 259 volume 41.75600 ppm1 8.3882866 ppm2 7.2455568
ASSI ( resid 26 and name HN )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 260 volume 96.33360 ppm1 8.2743883 ppm2 7.0649152
ASSI ( resid 15 and name HN )
     ( resid 17 and name HN )
     6.0 0.1 0.1 peak 261 volume 20.59750 ppm1 8.2962523 ppm2 7.6025009
ASSI ( resid 35 and name HN )
     ( resid 36 and name HN )
     6.0 0.1 0.1 peak 262 volume 161.25890 ppm1 7.9139738 ppm2 7.5681443
ASSI ( resid 35 and name HN )
     ( resid 34 and name HN )
     6.0 0.1 0.1 peak 263 volume 117.85120 ppm1 7.9148941 ppm2 6.9920168
ASSI ( resid 34 and name HE3 )
     ( resid 34 and name HH2 )
     6.0 0.1 0.1 peak 264 volume 191.41460 ppm1 7.6731052 ppm2 7.1601014
ASSI ( resid 34 and name HE3 )
     ( resid 34 and name HZ3 )
     6.0 0.1 0.1 peak 265 volume 137.45520 ppm1 7.6731572 ppm2 6.9882755
  OR ( resid 34 and name HE3 )
     ( resid 34 and name HN )
ASSI ( resid 35 and name HD21 )
     ( resid 35 and name HD22 )
     6.0 0.1 0.1 peak 266 volume 1746.81250 ppm1 7.5817990 ppm2 6.9712639
  OR ( resid 36 and name HN )
     ( resid 35 and name HD22 )
ASSI ( resid 32 and name HE3 )
     ( resid 32 and name HZ3 )
     6.0 0.1 0.1 peak 267 volume 261.28900 ppm1 7.5329790 ppm2 7.1413283
  OR ( resid 32 and name HE3 )
     ( resid 34 and name HD1 )
ASSI ( resid 9 and name HN )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 268 volume 7.92560 ppm1 9.4271488 ppm2 0.9215339
  OR ( resid 9 and name HN )
     ( resid 27 and name HG2 )
ASSI ( resid 31 and name HN )
     ( resid 30 and name HB1 )
     6.0 0.1 0.1 peak 269 volume 31.67240 ppm1 9.3133411 ppm2 2.7061996
ASSI ( resid 9 and name HD2 )
     ( resid 7 and name HB1 )
     6.0 0.1 0.1 peak 270 volume 9.67570 ppm1 6.9178739 ppm2 3.8419216
ASSI ( resid 16 and name HD2 )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 271 volume 23.98330 ppm1 7.1105289 ppm2 3.3377190
  OR ( resid 16 and name HD2 )
     ( resid 25 and name HA2 )
  OR ( resid 24 and name HD1 )
     ( resid 16 and name HB2 )
  OR ( resid 24 and name HD1 )
     ( resid 25 and name HA2 )
  OR ( resid 24 and name HD2 )
     ( resid 16 and name HB2 )
  OR ( resid 24 and name HD2 )
     ( resid 25 and name HA2 )
ASSI ( resid 10 and name HE1 )
     ( resid 8 and name HB1 )
     6.0 0.1 0.1 peak 272 volume 53.88640 ppm1 7.4193258 ppm2 2.8816588
  OR ( resid 10 and name HE2 )
     ( resid 8 and name HB1 )
ASSI ( resid 19 and name HN )
     ( resid 19 and name HD1 )
     6.0 0.1 0.1 peak 273 volume 21.03510 ppm1 8.5695047 ppm2 1.4672607
  OR ( resid 19 and name HN )
     ( resid 19 and name HD2 )
ASSI ( resid 2 and name HE2 )
     ( resid 2 and name HD2 )
     6.0 0.1 0.1 peak 274 volume 1176.66882 ppm1 7.4141273 ppm2 7.3017364
  OR ( resid 2 and name HE2 )
     ( resid 2 and name HD1 )
  OR ( resid 2 and name HE2 )
     ( resid 10 and name HD2 )
  OR ( resid 2 and name HE2 )
     ( resid 10 and name HD1 )
  OR ( resid 2 and name HE1 )
     ( resid 2 and name HD2 )
  OR ( resid 2 and name HE1 )
     ( resid 2 and name HD1 )
  OR ( resid 2 and name HE1 )
     ( resid 10 and name HD2 )
  OR ( resid 2 and name HE1 )
     ( resid 10 and name HD1 )
  OR ( resid 10 and name HE2 )
     ( resid 2 and name HD2 )
  OR ( resid 10 and name HE2 )
     ( resid 2 and name HD1 )
  OR ( resid 10 and name HE2 )
     ( resid 10 and name HD2 )
  OR ( resid 10 and name HE2 )
     ( resid 10 and name HD1 )
  OR ( resid 10 and name HE1 )
     ( resid 2 and name HD2 )
  OR ( resid 10 and name HE1 )
     ( resid 2 and name HD1 )
  OR ( resid 10 and name HE1 )
     ( resid 10 and name HD2 )
  OR ( resid 10 and name HE1 )
     ( resid 10 and name HD1 )
ASSI ( resid 2 and name HZ )
     ( resid 2 and name HD2 )
     6.0 0.1 0.1 peak 275 volume 1560.28235 ppm1 7.3716016 ppm2 7.3022885
  OR ( resid 2 and name HZ )
     ( resid 2 and name HD1 )
  OR ( resid 2 and name HZ )
     ( resid 10 and name HD2 )
  OR ( resid 2 and name HZ )
     ( resid 10 and name HD1 )
  OR ( resid 10 and name HZ )
     ( resid 2 and name HD2 )
  OR ( resid 10 and name HZ )
     ( resid 2 and name HD1 )
  OR ( resid 10 and name HZ )
     ( resid 10 and name HD2 )
  OR ( resid 10 and name HZ )
     ( resid 10 and name HD1 )
ASSI ( resid 26 and name HE1 )
     ( resid 26 and name HD1 )
     6.0 0.1 0.1 peak 276 volume 361.84161 ppm1 7.3388424 ppm2 7.1981936
  OR ( resid 26 and name HE1 )
     ( resid 26 and name HD2 )
  OR ( resid 26 and name HE2 )
     ( resid 26 and name HD1 )
  OR ( resid 26 and name HE2 )
     ( resid 26 and name HD2 )
ASSI ( resid 24 and name HE2 )
     ( resid 24 and name HD2 )
     6.0 0.1 0.1 peak 277 volume 569.36713 ppm1 7.2930636 ppm2 7.1105118
  OR ( resid 24 and name HE2 )
     ( resid 24 and name HD1 )
  OR ( resid 24 and name HE1 )
     ( resid 24 and name HD2 )
  OR ( resid 24 and name HE1 )
     ( resid 24 and name HD1 )
  OR ( resid 24 and name HZ )
     ( resid 24 and name HD2 )
  OR ( resid 24 and name HZ )
     ( resid 24 and name HD1 )
ASSI ( resid 34 and name HH2 )
     ( resid 34 and name HZ3 )
     6.0 0.1 0.1 peak 278 volume 227.49789 ppm1 7.1618853 ppm2 6.9926729
ASSI ( resid 31 and name HN )
     ( resid 20 and name HN )
     6.0 0.1 0.1 peak 279 volume 16.45610 ppm1 9.3093519 ppm2 8.8112926
ASSI ( resid 9 and name HN )
     ( resid 8 and name HN )
     6.0 0.1 0.1 peak 280 volume 12.81690 ppm1 9.4297104 ppm2 8.8081760
ASSI ( resid 10 and name HN )
     ( resid 11 and name HN )
     6.0 0.1 0.1 peak 281 volume 13.65910 ppm1 9.2587252 ppm2 8.6422472
ASSI ( resid 28 and name HN )
     ( resid 11 and name HN )
     6.0 0.1 0.1 peak 282 volume 9.77390 ppm1 9.1421213 ppm2 8.6402760
ASSI ( resid 5 and name HN )
     ( resid 4 and name HN )
     6.0 0.1 0.1 peak 283 volume 13.73310 ppm1 9.0388994 ppm2 8.2812204
ASSI ( resid 29 and name HN )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 284 volume 16.32120 ppm1 8.5937605 ppm2 8.0926752
ASSI ( resid 13 and name HN )
     ( resid 12 and name HN )
     6.0 0.1 0.1 peak 285 volume 31.76580 ppm1 8.4872522 ppm2 7.9711523
ASSI ( resid 29 and name HN )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 286 volume 22.00050 ppm1 8.5910902 ppm2 7.8055696
ASSI ( resid 25 and name HN )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 287 volume 14.02060 ppm1 8.2555103 ppm2 7.7500830
ASSI ( resid 24 and name HN )
     ( resid 24 and name HD2 )
     6.0 0.1 0.1 peak 288 volume 36.68910 ppm1 7.7590690 ppm2 7.1216626
  OR ( resid 24 and name HN )
     ( resid 24 and name HD1 )
ASSI ( resid 16 and name HN )
     ( resid 16 and name HD2 )
     6.0 0.1 0.1 peak 289 volume 19.62010 ppm1 8.3314962 ppm2 7.1119132
ASSI ( resid 26 and name HN )
     ( resid 26 and name HD1 )
     6.0 0.1 0.1 peak 290 volume 16.72640 ppm1 8.2742357 ppm2 7.2071180
  OR ( resid 26 and name HN )
     ( resid 26 and name HD2 )
ASSI ( resid 32 and name HZ2 )
     ( resid 32 and name HH2 )
     6.0 0.1 0.1 peak 291 volume 237.80099 ppm1 7.4992399 ppm2 7.2140174
ASSI ( resid 32 and name HE3 )
     ( resid 34 and name HN )
     6.0 0.1 0.1 peak 292 volume 22.86320 ppm1 7.5332851 ppm2 6.9929471
  OR ( resid 32 and name HE3 )
     ( resid 34 and name HZ3 )
ASSI ( resid 20 and name HN )
     ( resid 21 and name HA1 )
     6.0 0.1 0.1 peak 293 volume 15.42830 ppm1 8.7999954 ppm2 4.2376857
  OR ( resid 8 and name HN )
     ( resid 21 and name HA1 )
ASSI ( resid 35 and name HN )
     ( resid 33 and name HA )
     6.0 0.1 0.1 peak 294 volume 17.22600 ppm1 7.9147220 ppm2 4.1629648
ASSI ( resid 6 and name HN )
     ( resid 31 and name HE2 )
     6.0 0.1 0.1 peak 295 volume 16.61440 ppm1 7.7495685 ppm2 2.7172341
  OR ( resid 6 and name HN )
     ( resid 31 and name HE1 )
ASSI ( resid 30 and name HN )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 296 volume 31.45480 ppm1 8.9938030 ppm2 2.5862012
ASSI ( resid 30 and name HN )
     ( resid 29 and name HB2 )
     6.0 0.1 0.1 peak 297 volume 17.20690 ppm1 8.9930058 ppm2 2.4407570
ASSI ( resid 20 and name HN )
     ( resid 19 and name HB1 )
     6.0 0.1 0.1 peak 298 volume 20.26970 ppm1 8.8048801 ppm2 1.8597494
ASSI ( resid 32 and name HH2 )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 299 volume 21.85320 ppm1 7.2127938 ppm2 -0.1600836
  OR ( resid 32 and name HH2 )
     ( resid 17 and name HD22 )
  OR ( resid 32 and name HH2 )
     ( resid 17 and name HD23 )
ASSI ( resid 34 and name HD1 )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 300 volume 12.15650 ppm1 7.1482129 ppm2 2.1668904
ASSI ( resid 32 and name HZ3 )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 301 volume 10.73220 ppm1 7.1473002 ppm2 2.3957801
  OR ( resid 34 and name HD1 )
     ( resid 32 and name HB1 )
ASSI ( resid 34 and name HN )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 302 volume 26.07200 ppm1 6.9951305 ppm2 2.3934989
  OR ( resid 34 and name HZ3 )
     ( resid 32 and name HB1 )
ASSI ( resid 35 and name HD22 )
     ( resid 35 and name HB2 )
     6.0 0.1 0.1 peak 303 volume 13.68160 ppm1 6.9709716 ppm2 2.5586178
ASSI ( resid 27 and name HN )
     ( resid 23 and name HB2 )
     6.0 0.1 0.1 peak 304 volume 27.70070 ppm1 7.0668240 ppm2 3.1133697
  OR ( resid 27 and name HN )
     ( resid 23 and name HB1 )
ASSI ( resid 27 and name HN )
     ( resid 26 and name HB2 )
     6.0 0.1 0.1 peak 305 volume 11.95340 ppm1 7.0612431 ppm2 3.1879566

! derived from the 2D file(s):
! ! Chicken AvBD2 D20
ASSI ( resid 8 and name HA )
     ( resid 29 and name HA )
     6.0 0.1 0.1 peak 0 volume 367.29410 ppm1 5.7014256 ppm2 4.8865962
ASSI ( resid 30 and name HA )
     ( resid 19 and name HA )
     6.0 0.1 0.1 peak 1 volume 492.27930 ppm1 5.5359335 ppm2 4.8398581
ASSI ( resid 8 and name HB1 )
     ( resid 8 and name HA )
     6.0 0.1 0.1 peak 2 volume 369.18469 ppm1 2.9030254 ppm2 5.7012267
ASSI ( resid 30 and name HB1 )
     ( resid 30 and name HA )
     6.0 0.1 0.1 peak 3 volume 418.92459 ppm1 2.7394238 ppm2 5.5383773
ASSI ( resid 30 and name HB2 )
     ( resid 30 and name HA )
     6.0 0.1 0.1 peak 4 volume 606.80377 ppm1 2.5484204 ppm2 5.5360246
ASSI ( resid 8 and name HB2 )
     ( resid 8 and name HA )
     6.0 0.1 0.1 peak 5 volume 587.22168 ppm1 2.4471886 ppm2 5.7006989
ASSI ( resid 22 and name HB1 )
     ( resid 22 and name HA )
     6.0 0.1 0.1 peak 6 volume 596.74017 ppm1 3.8872137 ppm2 5.0698633
ASSI ( resid 22 and name HB2 )
     ( resid 22 and name HA )
     6.0 0.1 0.1 peak 7 volume 535.77142 ppm1 3.7104347 ppm2 5.0644073
ASSI ( resid 7 and name HB1 )
     ( resid 7 and name HA )
     6.0 0.1 0.1 peak 8 volume 849.33600 ppm1 3.8425558 ppm2 4.8207760
ASSI ( resid 7 and name HB2 )
     ( resid 7 and name HA )
     6.0 0.1 0.1 peak 9 volume 920.40320 ppm1 3.6984203 ppm2 4.8255196
ASSI ( resid 6 and name HA2 )
     ( resid 31 and name HA )
     6.0 0.1 0.1 peak 10 volume 266.58640 ppm1 3.6726930 ppm2 4.7749214
ASSI ( resid 6 and name HA2 )
     ( resid 6 and name HA1 )
     6.0 0.1 0.1 peak 11 volume 5531.96924 ppm1 3.6726930 ppm2 4.6180220
ASSI ( resid 33 and name HD1 )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 12 volume 981.95471 ppm1 3.9804325 ppm2 4.5575547
ASSI ( resid 34 and name HB1 )
     ( resid 34 and name HA )
     6.0 0.1 0.1 peak 13 volume 606.80029 ppm1 3.4262793 ppm2 4.7855387
ASSI ( resid 34 and name HB2 )
     ( resid 34 and name HA )
     6.0 0.1 0.1 peak 14 volume 689.17358 ppm1 3.3737137 ppm2 4.7863464
ASSI ( resid 9 and name HB1 )
     ( resid 9 and name HA )
     6.0 0.1 0.1 peak 15 volume 1071.27124 ppm1 3.2867782 ppm2 4.7564588
ASSI ( resid 33 and name HD2 )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 16 volume 843.77887 ppm1 3.5056930 ppm2 4.5572410
ASSI ( resid 2 and name HB1 )
     ( resid 2 and name HA )
     6.0 0.1 0.1 peak 17 volume 723.89050 ppm1 3.2037675 ppm2 4.6942592
ASSI ( resid 10 and name HB1 )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 18 volume 654.78223 ppm1 3.1693978 ppm2 4.5827856
ASSI ( resid 23 and name HB1 )
     ( resid 23 and name HA )
     6.0 0.1 0.1 peak 19 volume 1081.97180 ppm1 3.1418328 ppm2 4.7676649
  OR ( resid 23 and name HB2 )
     ( resid 23 and name HA )
ASSI ( resid 2 and name HB2 )
     ( resid 2 and name HA )
     6.0 0.1 0.1 peak 20 volume 550.70367 ppm1 3.0756667 ppm2 4.6936069
ASSI ( resid 10 and name HB2 )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 21 volume 629.56012 ppm1 3.0157447 ppm2 4.5787468
ASSI ( resid 14 and name HD1 )
     ( resid 13 and name HA )
     6.0 0.1 0.1 peak 22 volume 1732.22986 ppm1 2.9862514 ppm2 4.7715077
ASSI ( resid 8 and name HB1 )
     ( resid 28 and name HA )
     6.0 0.1 0.1 peak 23 volume 214.99361 ppm1 2.9115796 ppm2 4.6257420
ASSI ( resid 9 and name HB2 )
     ( resid 9 and name HA )
     6.0 0.1 0.1 peak 24 volume 1029.09753 ppm1 2.8945601 ppm2 4.7573133
  OR ( resid 9 and name HB2 )
     ( resid 23 and name HA )
  OR ( resid 8 and name HB1 )
     ( resid 9 and name HA )
  OR ( resid 8 and name HB1 )
     ( resid 23 and name HA )
ASSI ( resid 35 and name HB1 )
     ( resid 35 and name HA )
     6.0 0.1 0.1 peak 25 volume 476.54529 ppm1 2.8393366 ppm2 4.9050903
ASSI ( resid 14 and name HD2 )
     ( resid 13 and name HA )
     6.0 0.1 0.1 peak 26 volume 1371.29211 ppm1 2.7756779 ppm2 4.7710981
ASSI ( resid 29 and name HB1 )
     ( resid 29 and name HA )
     6.0 0.1 0.1 peak 27 volume 704.18811 ppm1 2.6339898 ppm2 4.8910537
  OR ( resid 3 and name HB2 )
     ( resid 29 and name HA )
ASSI ( resid 35 and name HB2 )
     ( resid 35 and name HA )
     6.0 0.1 0.1 peak 28 volume 359.95239 ppm1 2.5795796 ppm2 4.9078250
ASSI ( resid 13 and name HB1 )
     ( resid 13 and name HA )
     6.0 0.1 0.1 peak 29 volume 1443.71643 ppm1 2.4858849 ppm2 4.7719426
  OR ( resid 13 and name HB1 )
     ( resid 9 and name HA )
  OR ( resid 13 and name HB1 )
     ( resid 23 and name HA )
  OR ( resid 13 and name HB2 )
     ( resid 13 and name HA )
  OR ( resid 13 and name HB2 )
     ( resid 9 and name HA )
  OR ( resid 13 and name HB2 )
     ( resid 23 and name HA )
  OR ( resid 29 and name HB2 )
     ( resid 13 and name HA )
  OR ( resid 29 and name HB2 )
     ( resid 9 and name HA )
  OR ( resid 29 and name HB2 )
     ( resid 23 and name HA )
ASSI ( resid 29 and name HB2 )
     ( resid 29 and name HA )
     6.0 0.1 0.1 peak 30 volume 223.80440 ppm1 2.4793456 ppm2 4.8897424
ASSI ( resid 32 and name HB1 )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 31 volume 399.21509 ppm1 2.3870196 ppm2 4.5560966
ASSI ( resid 32 and name HB2 )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 32 volume 730.46021 ppm1 2.1439395 ppm2 4.5590305
ASSI ( resid 19 and name HB1 )
     ( resid 19 and name HA )
     6.0 0.1 0.1 peak 33 volume 338.06851 ppm1 1.8836609 ppm2 4.8397460
ASSI ( resid 31 and name HB1 )
     ( resid 31 and name HA )
     6.0 0.1 0.1 peak 34 volume 657.97272 ppm1 1.9145217 ppm2 4.7703886
ASSI ( resid 19 and name HB2 )
     ( resid 19 and name HA )
     6.0 0.1 0.1 peak 35 volume 972.99469 ppm1 1.6662707 ppm2 4.8384619
  OR ( resid 18 and name HB )
     ( resid 19 and name HA )
ASSI ( resid 19 and name HD1 )
     ( resid 19 and name HA )
     6.0 0.1 0.1 peak 36 volume 627.26910 ppm1 1.5146105 ppm2 4.8399692
  OR ( resid 19 and name HD2 )
     ( resid 19 and name HA )
ASSI ( resid 31 and name HB2 )
     ( resid 31 and name HA )
     6.0 0.1 0.1 peak 37 volume 611.96191 ppm1 1.4706891 ppm2 4.7718062
  OR ( resid 31 and name HB2 )
     ( resid 13 and name HA )
  OR ( resid 31 and name HB2 )
     ( resid 9 and name HA )
  OR ( resid 14 and name HG2 )
     ( resid 31 and name HA )
  OR ( resid 14 and name HG2 )
     ( resid 13 and name HA )
  OR ( resid 14 and name HG2 )
     ( resid 9 and name HA )
  OR ( resid 14 and name HG1 )
     ( resid 31 and name HA )
  OR ( resid 14 and name HG1 )
     ( resid 13 and name HA )
  OR ( resid 14 and name HG1 )
     ( resid 9 and name HA )
ASSI ( resid 27 and name HB1 )
     ( resid 27 and name HA )
     6.0 0.1 0.1 peak 38 volume 961.05878 ppm1 1.4956241 ppm2 4.5981336
  OR ( resid 27 and name HB1 )
     ( resid 10 and name HA )
ASSI ( resid 27 and name HB2 )
     ( resid 27 and name HA )
     6.0 0.1 0.1 peak 39 volume 771.19922 ppm1 1.4275583 ppm2 4.5989413
  OR ( resid 27 and name HB2 )
     ( resid 10 and name HA )
ASSI ( resid 31 and name HG1 )
     ( resid 31 and name HA )
     6.0 0.1 0.1 peak 40 volume 200.00191 ppm1 1.3102677 ppm2 4.7688465
  OR ( resid 31 and name HG1 )
     ( resid 34 and name HA )
  OR ( resid 36 and name HB1 )
     ( resid 31 and name HA )
  OR ( resid 36 and name HB1 )
     ( resid 34 and name HA )
ASSI ( resid 31 and name HG2 )
     ( resid 31 and name HA )
     6.0 0.1 0.1 peak 41 volume 665.10773 ppm1 1.2029860 ppm2 4.7723541
ASSI ( resid 31 and name HG2 )
     ( resid 6 and name HA1 )
     6.0 0.1 0.1 peak 42 volume 194.47330 ppm1 1.1992804 ppm2 4.6204534
ASSI ( resid 27 and name HG1 )
     ( resid 27 and name HA )
     6.0 0.1 0.1 peak 43 volume 841.25159 ppm1 0.9352883 ppm2 4.5912724
  OR ( resid 27 and name HG1 )
     ( resid 10 and name HA )
  OR ( resid 27 and name HG2 )
     ( resid 27 and name HA )
  OR ( resid 27 and name HG2 )
     ( resid 10 and name HA )
ASSI ( resid 17 and name HD22 )
     ( resid 13 and name HA )
     6.0 0.1 0.1 peak 44 volume 58.63010 ppm1 -0.1865142 ppm2 4.7774611
  OR ( resid 17 and name HD22 )
     ( resid 31 and name HA )
  OR ( resid 17 and name HD23 )
     ( resid 13 and name HA )
  OR ( resid 17 and name HD23 )
     ( resid 31 and name HA )
  OR ( resid 17 and name HD21 )
     ( resid 13 and name HA )
  OR ( resid 17 and name HD21 )
     ( resid 31 and name HA )
ASSI ( resid 33 and name HA )
     ( resid 18 and name HA )
     6.0 0.1 0.1 peak 45 volume 176.97160 ppm1 4.1673818 ppm2 4.3777432
ASSI ( resid 33 and name HD1 )
     ( resid 17 and name HA )
     6.0 0.1 0.1 peak 46 volume 283.23401 ppm1 3.9788268 ppm2 4.4519029
ASSI ( resid 21 and name HA2 )
     ( resid 21 and name HA1 )
     6.0 0.1 0.1 peak 47 volume 3561.33472 ppm1 3.9284329 ppm2 4.2651124
ASSI ( resid 16 and name HB1 )
     ( resid 16 and name HA )
     6.0 0.1 0.1 peak 48 volume 422.65302 ppm1 3.5735257 ppm2 4.3736730
ASSI ( resid 33 and name HD2 )
     ( resid 17 and name HA )
     6.0 0.1 0.1 peak 49 volume 117.25310 ppm1 3.5081160 ppm2 4.4518332
ASSI ( resid 26 and name HB1 )
     ( resid 26 and name HA )
     6.0 0.1 0.1 peak 50 volume 822.09668 ppm1 3.3754652 ppm2 4.3985543
ASSI ( resid 16 and name HB2 )
     ( resid 16 and name HA )
     6.0 0.1 0.1 peak 51 volume 539.03522 ppm1 3.3008332 ppm2 4.3707638
ASSI ( resid 26 and name HB2 )
     ( resid 26 and name HA )
     6.0 0.1 0.1 peak 52 volume 757.98389 ppm1 3.2096164 ppm2 4.3947988
  OR ( resid 26 and name HB2 )
     ( resid 3 and name HA )
  OR ( resid 3 and name HB1 )
     ( resid 26 and name HA )
  OR ( resid 3 and name HB1 )
     ( resid 3 and name HA )
  OR ( resid 2 and name HB1 )
     ( resid 26 and name HA )
  OR ( resid 2 and name HB1 )
     ( resid 3 and name HA )
ASSI ( resid 3 and name HB2 )
     ( resid 3 and name HA )
     6.0 0.1 0.1 peak 53 volume 625.85052 ppm1 2.6250541 ppm2 4.3913579
  OR ( resid 29 and name HB1 )
     ( resid 3 and name HA )
ASSI ( resid 14 and name HB1 )
     ( resid 14 and name HA )
     6.0 0.1 0.1 peak 54 volume 1194.00513 ppm1 2.2868421 ppm2 4.4112883
ASSI ( resid 20 and name HB )
     ( resid 20 and name HA )
     6.0 0.1 0.1 peak 55 volume 735.96362 ppm1 2.1883607 ppm2 4.4479833
ASSI ( resid 18 and name HB )
     ( resid 18 and name HA )
     6.0 0.1 0.1 peak 56 volume 733.63757 ppm1 1.6707850 ppm2 4.3742151
  OR ( resid 19 and name HB2 )
     ( resid 18 and name HA )
ASSI ( resid 14 and name HB2 )
     ( resid 14 and name HA )
     6.0 0.1 0.1 peak 57 volume 696.32953 ppm1 1.6961288 ppm2 4.4084806
  OR ( resid 14 and name HB2 )
     ( resid 3 and name HA )
  OR ( resid 4 and name HB2 )
     ( resid 14 and name HA )
  OR ( resid 4 and name HB2 )
     ( resid 3 and name HA )
  OR ( resid 4 and name HD2 )
     ( resid 14 and name HA )
  OR ( resid 4 and name HD2 )
     ( resid 3 and name HA )
  OR ( resid 4 and name HD1 )
     ( resid 14 and name HA )
  OR ( resid 4 and name HD1 )
     ( resid 3 and name HA )
ASSI ( resid 17 and name HB1 )
     ( resid 17 and name HA )
     6.0 0.1 0.1 peak 58 volume 401.87921 ppm1 1.2283922 ppm2 4.4496288
ASSI ( resid 17 and name HG )
     ( resid 17 and name HA )
     6.0 0.1 0.1 peak 59 volume 966.02441 ppm1 1.0069175 ppm2 4.4490929
ASSI ( resid 20 and name HG11 )
     ( resid 20 and name HA )
     6.0 0.1 0.1 peak 60 volume 690.88641 ppm1 0.8972117 ppm2 4.4471326
  OR ( resid 20 and name HG13 )
     ( resid 20 and name HA )
  OR ( resid 20 and name HG12 )
     ( resid 20 and name HA )
ASSI ( resid 18 and name HG21 )
     ( resid 18 and name HA )
     6.0 0.1 0.1 peak 61 volume 745.64062 ppm1 0.8042200 ppm2 4.3718367
ASSI ( resid 18 and name HD11 )
     ( resid 18 and name HA )
     6.0 0.1 0.1 peak 62 volume 228.35789 ppm1 0.7546874 ppm2 4.3725915
ASSI ( resid 20 and name HG21 )
     ( resid 20 and name HA )
     6.0 0.1 0.1 peak 63 volume 331.46811 ppm1 0.7309994 ppm2 4.4451160
  OR ( resid 20 and name HG22 )
     ( resid 20 and name HA )
  OR ( resid 20 and name HG23 )
     ( resid 20 and name HA )
ASSI ( resid 17 and name HD21 )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 64 volume 123.88670 ppm1 -0.1829176 ppm2 4.5563555
  OR ( resid 17 and name HD22 )
     ( resid 32 and name HA )
  OR ( resid 17 and name HD23 )
     ( resid 32 and name HA )
ASSI ( resid 17 and name HD21 )
     ( resid 17 and name HA )
     6.0 0.1 0.1 peak 65 volume 312.92679 ppm1 -0.1827798 ppm2 4.4468269
  OR ( resid 17 and name HD22 )
     ( resid 17 and name HA )
  OR ( resid 17 and name HD23 )
     ( resid 17 and name HA )
ASSI ( resid 5 and name HA2 )
     ( resid 5 and name HA1 )
     6.0 0.1 0.1 peak 66 volume 3554.27393 ppm1 3.8600976 ppm2 4.1903973
ASSI ( resid 11 and name HA2 )
     ( resid 11 and name HA1 )
     6.0 0.1 0.1 peak 67 volume 5087.68213 ppm1 3.5407295 ppm2 4.0405169
ASSI ( resid 33 and name HD2 )
     ( resid 33 and name HD1 )
     6.0 0.1 0.1 peak 68 volume 3370.55493 ppm1 3.5029037 ppm2 3.9813874
ASSI ( resid 15 and name HB2 )
     ( resid 15 and name HA )
     6.0 0.1 0.1 peak 69 volume 267.13870 ppm1 3.6822052 ppm2 3.9708946
ASSI ( resid 15 and name HB1 )
     ( resid 15 and name HA )
     6.0 0.1 0.1 peak 70 volume 203.57210 ppm1 3.7336605 ppm2 3.9711852
ASSI ( resid 24 and name HB1 )
     ( resid 24 and name HA )
     6.0 0.1 0.1 peak 71 volume 651.97888 ppm1 2.9761202 ppm2 4.1805949
ASSI ( resid 24 and name HB2 )
     ( resid 24 and name HA )
     6.0 0.1 0.1 peak 72 volume 532.61267 ppm1 2.8823521 ppm2 4.1790929
ASSI ( resid 33 and name HB1 )
     ( resid 33 and name HA )
     6.0 0.1 0.1 peak 73 volume 1014.91559 ppm1 2.2605679 ppm2 4.1704078
ASSI ( resid 33 and name HG1 )
     ( resid 33 and name HD1 )
     6.0 0.1 0.1 peak 74 volume 474.13080 ppm1 2.1162221 ppm2 3.9803078
  OR ( resid 33 and name HG2 )
     ( resid 33 and name HD1 )
ASSI ( resid 33 and name HG1 )
     ( resid 33 and name HA )
     6.0 0.1 0.1 peak 75 volume 136.42999 ppm1 2.1250234 ppm2 4.1642146
  OR ( resid 33 and name HG2 )
     ( resid 33 and name HA )
ASSI ( resid 33 and name HB2 )
     ( resid 33 and name HA )
     6.0 0.1 0.1 peak 76 volume 662.11279 ppm1 1.9847243 ppm2 4.1668673
ASSI ( resid 33 and name HB2 )
     ( resid 33 and name HD1 )
     6.0 0.1 0.1 peak 77 volume 686.77399 ppm1 1.9756372 ppm2 3.9793015
ASSI ( resid 4 and name HB1 )
     ( resid 4 and name HA )
     6.0 0.1 0.1 peak 78 volume 581.42450 ppm1 1.7742684 ppm2 4.0674748
ASSI ( resid 4 and name HB2 )
     ( resid 4 and name HA )
     6.0 0.1 0.1 peak 79 volume 853.49579 ppm1 1.7045391 ppm2 4.0664444
  OR ( resid 4 and name HD1 )
     ( resid 4 and name HA )
  OR ( resid 4 and name HD2 )
     ( resid 4 and name HA )
ASSI ( resid 1 and name HB1 )
     ( resid 1 and name HA )
     6.0 0.1 0.1 peak 80 volume 960.43408 ppm1 1.6216577 ppm2 3.9366994
  OR ( resid 1 and name HB2 )
     ( resid 1 and name HA )
ASSI ( resid 4 and name HG1 )
     ( resid 4 and name HA )
     6.0 0.1 0.1 peak 81 volume 400.27151 ppm1 1.4503130 ppm2 4.0667582
ASSI ( resid 36 and name HB1 )
     ( resid 33 and name HA )
     6.0 0.1 0.1 peak 82 volume 155.29320 ppm1 1.3030330 ppm2 4.1639614
  OR ( resid 36 and name HB1 )
     ( resid 5 and name HA1 )
  OR ( resid 31 and name HG1 )
     ( resid 33 and name HA )
  OR ( resid 31 and name HG1 )
     ( resid 5 and name HA1 )
ASSI ( resid 36 and name HB1 )
     ( resid 36 and name HA )
     6.0 0.1 0.1 peak 83 volume 759.17578 ppm1 1.3034413 ppm2 4.0331650
  OR ( resid 31 and name HG1 )
     ( resid 36 and name HA )
ASSI ( resid 18 and name HG12 )
     ( resid 18 and name HA )
     6.0 0.1 0.1 peak 84 volume 158.84140 ppm1 0.9819474 ppm2 4.3698711
ASSI ( resid 18 and name HG12 )
     ( resid 33 and name HA )
     6.0 0.1 0.1 peak 85 volume 197.29539 ppm1 0.9784091 ppm2 4.1686835
ASSI ( resid 1 and name HD12 )
     ( resid 1 and name HA )
     6.0 0.1 0.1 peak 86 volume 706.61700 ppm1 0.8802496 ppm2 3.9334111
  OR ( resid 1 and name HD22 )
     ( resid 1 and name HA )
  OR ( resid 1 and name HD13 )
     ( resid 1 and name HA )
  OR ( resid 1 and name HD11 )
     ( resid 1 and name HA )
  OR ( resid 1 and name HD21 )
     ( resid 1 and name HA )
  OR ( resid 1 and name HD23 )
     ( resid 1 and name HA )
  OR ( resid 20 and name HG11 )
     ( resid 1 and name HA )
  OR ( resid 20 and name HG12 )
     ( resid 1 and name HA )
  OR ( resid 20 and name HG13 )
     ( resid 1 and name HA )
ASSI ( resid 18 and name HD11 )
     ( resid 33 and name HA )
     6.0 0.1 0.1 peak 87 volume 412.16940 ppm1 0.7588241 ppm2 4.1706228
ASSI ( resid 22 and name HB2 )
     ( resid 22 and name HB1 )
     6.0 0.1 0.1 peak 88 volume 3792.14990 ppm1 3.7101393 ppm2 3.8927836
ASSI ( resid 7 and name HB2 )
     ( resid 7 and name HB1 )
     6.0 0.1 0.1 peak 89 volume 4578.92432 ppm1 3.6929164 ppm2 3.8402069
ASSI ( resid 22 and name HB2 )
     ( resid 22 and name HB1 )
     6.0 0.1 0.1 peak 90 volume 316.10931 ppm1 3.7381055 ppm2 3.8966069
ASSI ( resid 25 and name HA2 )
     ( resid 25 and name HA1 )
     6.0 0.1 0.1 peak 91 volume 5331.25830 ppm1 3.3535323 ppm2 3.7358046
ASSI ( resid 8 and name HB1 )
     ( resid 28 and name HB1 )
     6.0 0.1 0.1 peak 92 volume 431.07599 ppm1 2.9047091 ppm2 3.6780751
  OR ( resid 9 and name HB2 )
     ( resid 28 and name HB1 )
ASSI ( resid 31 and name HE2 )
     ( resid 6 and name HA2 )
     6.0 0.1 0.1 peak 93 volume 94.42810 ppm1 2.7496850 ppm2 3.6765041
  OR ( resid 31 and name HE1 )
     ( resid 6 and name HA2 )
ASSI ( resid 19 and name HD2 )
     ( resid 28 and name HB2 )
     6.0 0.1 0.1 peak 94 volume 515.65552 ppm1 1.5089835 ppm2 3.6595218
  OR ( resid 19 and name HD1 )
     ( resid 28 and name HB2 )
ASSI ( resid 14 and name HB2 )
     ( resid 15 and name HB2 )
     6.0 0.1 0.1 peak 95 volume 322.99231 ppm1 1.6977432 ppm2 3.6595218
ASSI ( resid 31 and name HG2 )
     ( resid 6 and name HA2 )
     6.0 0.1 0.1 peak 96 volume 574.02051 ppm1 1.1934788 ppm2 3.6648481
ASSI ( resid 16 and name HB2 )
     ( resid 16 and name HB1 )
     6.0 0.1 0.1 peak 97 volume 4055.36426 ppm1 3.2964787 ppm2 3.5699375
ASSI ( resid 26 and name HB2 )
     ( resid 26 and name HB1 )
     6.0 0.1 0.1 peak 98 volume 4930.20947 ppm1 3.2191405 ppm2 3.3772826
ASSI ( resid 2 and name HB2 )
     ( resid 2 and name HB1 )
     6.0 0.1 0.1 peak 99 volume 5268.85596 ppm1 3.0762229 ppm2 3.2059648
ASSI ( resid 10 and name HB2 )
     ( resid 10 and name HB1 )
     6.0 0.1 0.1 peak 100 volume 5582.53467 ppm1 3.0147278 ppm2 3.1709480
ASSI ( resid 9 and name HB2 )
     ( resid 9 and name HB1 )
     6.0 0.1 0.1 peak 101 volume 6446.61865 ppm1 2.8914671 ppm2 3.2849412
ASSI ( resid 3 and name HB2 )
     ( resid 3 and name HB1 )
     6.0 0.1 0.1 peak 102 volume 4277.02051 ppm1 2.6356206 ppm2 3.1877551
  OR ( resid 3 and name HB2 )
     ( resid 2 and name HB1 )
  OR ( resid 29 and name HB1 )
     ( resid 3 and name HB1 )
  OR ( resid 29 and name HB1 )
     ( resid 2 and name HB1 )
ASSI ( resid 8 and name HB2 )
     ( resid 23 and name HB2 )
     6.0 0.1 0.1 peak 103 volume 338.42661 ppm1 2.4479003 ppm2 3.1405938
  OR ( resid 8 and name HB2 )
     ( resid 23 and name HB1 )
ASSI ( resid 32 and name HB1 )
     ( resid 33 and name HD2 )
     6.0 0.1 0.1 peak 104 volume 112.77880 ppm1 2.3852022 ppm2 3.5040555
ASSI ( resid 33 and name HG2 )
     ( resid 33 and name HD2 )
     6.0 0.1 0.1 peak 105 volume 937.64722 ppm1 2.1233118 ppm2 3.5029366
  OR ( resid 33 and name HG1 )
     ( resid 33 and name HD2 )
  OR ( resid 32 and name HB2 )
     ( resid 33 and name HD2 )
ASSI ( resid 33 and name HB2 )
     ( resid 33 and name HD2 )
     6.0 0.1 0.1 peak 106 volume 507.19330 ppm1 1.9774139 ppm2 3.5051899
ASSI ( resid 24 and name HB2 )
     ( resid 24 and name HB1 )
     6.0 0.1 0.1 peak 107 volume 3124.11084 ppm1 2.8785989 ppm2 2.9806306
ASSI ( resid 14 and name HD2 )
     ( resid 14 and name HD1 )
     6.0 0.1 0.1 peak 108 volume 3595.58301 ppm1 2.7765145 ppm2 2.9874725
  OR ( resid 14 and name HD2 )
     ( resid 24 and name HB1 )
  OR ( resid 27 and name HD1 )
     ( resid 14 and name HD1 )
  OR ( resid 27 and name HD1 )
     ( resid 24 and name HB1 )
ASSI ( resid 13 and name HB2 )
     ( resid 9 and name HB2 )
     6.0 0.1 0.1 peak 109 volume 301.48859 ppm1 2.4892588 ppm2 2.9073172
  OR ( resid 13 and name HB1 )
     ( resid 9 and name HB2 )
ASSI ( resid 8 and name HB2 )
     ( resid 8 and name HB1 )
     6.0 0.1 0.1 peak 110 volume 4054.06152 ppm1 2.4447775 ppm2 2.9023705
  OR ( resid 8 and name HB2 )
     ( resid 9 and name HB2 )
  OR ( resid 8 and name HB2 )
     ( resid 24 and name HB2 )
ASSI ( resid 35 and name HB2 )
     ( resid 35 and name HB1 )
     6.0 0.1 0.1 peak 111 volume 5056.12354 ppm1 2.5800600 ppm2 2.8388519
ASSI ( resid 13 and name HB2 )
     ( resid 14 and name HD1 )
     6.0 0.1 0.1 peak 112 volume 270.77802 ppm1 2.4892251 ppm2 2.9922662
  OR ( resid 13 and name HB1 )
     ( resid 14 and name HD1 )
ASSI ( resid 30 and name HB2 )
     ( resid 30 and name HB1 )
     6.0 0.1 0.1 peak 113 volume 4305.26221 ppm1 2.5457969 ppm2 2.7411132
  OR ( resid 30 and name HB2 )
     ( resid 31 and name HE2 )
  OR ( resid 30 and name HB2 )
     ( resid 31 and name HE1 )
ASSI ( resid 13 and name HB2 )
     ( resid 14 and name HD2 )
     6.0 0.1 0.1 peak 114 volume 895.21619 ppm1 2.4865167 ppm2 2.7739046
  OR ( resid 13 and name HB1 )
     ( resid 14 and name HD2 )
ASSI ( resid 8 and name HB2 )
     ( resid 27 and name HD2 )
     6.0 0.1 0.1 peak 115 volume 141.73630 ppm1 2.4455526 ppm2 2.7110693
ASSI ( resid 14 and name HB1 )
     ( resid 14 and name HD1 )
     6.0 0.1 0.1 peak 116 volume 131.28960 ppm1 2.2923779 ppm2 2.9881101
ASSI ( resid 4 and name HD2 )
     ( resid 4 and name HE1 )
     6.0 0.1 0.1 peak 117 volume 1290.21106 ppm1 1.6881658 ppm2 2.9849730
  OR ( resid 4 and name HD2 )
     ( resid 4 and name HE2 )
  OR ( resid 4 and name HD2 )
     ( resid 14 and name HD1 )
  OR ( resid 4 and name HD1 )
     ( resid 4 and name HE1 )
  OR ( resid 4 and name HD1 )
     ( resid 4 and name HE2 )
  OR ( resid 4 and name HD1 )
     ( resid 14 and name HD1 )
  OR ( resid 14 and name HB2 )
     ( resid 4 and name HE1 )
  OR ( resid 14 and name HB2 )
     ( resid 4 and name HE2 )
  OR ( resid 14 and name HB2 )
     ( resid 14 and name HD1 )
  OR ( resid 4 and name HB2 )
     ( resid 4 and name HE1 )
  OR ( resid 4 and name HB2 )
     ( resid 4 and name HE2 )
  OR ( resid 4 and name HB2 )
     ( resid 14 and name HD1 )
ASSI ( resid 19 and name HB2 )
     ( resid 9 and name HB2 )
     6.0 0.1 0.1 peak 118 volume 789.61981 ppm1 1.6696706 ppm2 2.9044356
ASSI ( resid 14 and name HB2 )
     ( resid 14 and name HD2 )
     6.0 0.1 0.1 peak 119 volume 443.82071 ppm1 1.6889361 ppm2 2.7770114
ASSI ( resid 1 and name HG )
     ( resid 31 and name HE1 )
     6.0 0.1 0.1 peak 120 volume 1427.37390 ppm1 1.5775942 ppm2 2.7461736
  OR ( resid 1 and name HG )
     ( resid 31 and name HE2 )
ASSI ( resid 19 and name HD2 )
     ( resid 9 and name HB2 )
     6.0 0.1 0.1 peak 121 volume 696.25311 ppm1 1.5061879 ppm2 2.9102261
  OR ( resid 19 and name HD2 )
     ( resid 8 and name HB1 )
  OR ( resid 27 and name HB1 )
     ( resid 9 and name HB2 )
  OR ( resid 27 and name HB1 )
     ( resid 8 and name HB1 )
ASSI ( resid 27 and name HB1 )
     ( resid 23 and name HB2 )
     6.0 0.1 0.1 peak 122 volume 908.20898 ppm1 1.4862605 ppm2 3.1417181
  OR ( resid 27 and name HB1 )
     ( resid 23 and name HB1 )
ASSI ( resid 14 and name HG1 )
     ( resid 14 and name HD1 )
     6.0 0.1 0.1 peak 123 volume 545.86572 ppm1 1.4599128 ppm2 2.9835770
  OR ( resid 14 and name HG1 )
     ( resid 4 and name HE1 )
  OR ( resid 14 and name HG1 )
     ( resid 4 and name HE2 )
  OR ( resid 14 and name HG2 )
     ( resid 14 and name HD1 )
  OR ( resid 14 and name HG2 )
     ( resid 4 and name HE1 )
  OR ( resid 14 and name HG2 )
     ( resid 4 and name HE2 )
  OR ( resid 4 and name HG1 )
     ( resid 14 and name HD1 )
  OR ( resid 4 and name HG1 )
     ( resid 4 and name HE1 )
  OR ( resid 4 and name HG1 )
     ( resid 4 and name HE2 )
ASSI ( resid 19 and name HG1 )
     ( resid 9 and name HB2 )
     6.0 0.1 0.1 peak 124 volume 603.86371 ppm1 1.3833940 ppm2 2.9054761
  OR ( resid 19 and name HG2 )
     ( resid 9 and name HB2 )
ASSI ( resid 27 and name HB2 )
     ( resid 8 and name HB1 )
     6.0 0.1 0.1 peak 125 volume 182.14391 ppm1 1.4273230 ppm2 2.9004312
  OR ( resid 27 and name HB2 )
     ( resid 9 and name HB2 )
ASSI ( resid 4 and name HG2 )
     ( resid 4 and name HE2 )
     6.0 0.1 0.1 peak 126 volume 113.00530 ppm1 1.3539077 ppm2 2.9657187
  OR ( resid 4 and name HG2 )
     ( resid 4 and name HE1 )
ASSI ( resid 27 and name HB1 )
     ( resid 27 and name HD1 )
     6.0 0.1 0.1 peak 127 volume 324.93750 ppm1 1.5068933 ppm2 2.7839258
ASSI ( resid 27 and name HB1 )
     ( resid 27 and name HD2 )
     6.0 0.1 0.1 peak 128 volume 491.84299 ppm1 1.4920992 ppm2 2.7057409
ASSI ( resid 27 and name HB2 )
     ( resid 27 and name HD2 )
     6.0 0.1 0.1 peak 129 volume 334.50851 ppm1 1.4285343 ppm2 2.7029414
ASSI ( resid 14 and name HG2 )
     ( resid 14 and name HD2 )
     6.0 0.1 0.1 peak 130 volume 776.64868 ppm1 1.4660041 ppm2 2.7794192
  OR ( resid 14 and name HG1 )
     ( resid 14 and name HD2 )
ASSI ( resid 27 and name HB2 )
     ( resid 27 and name HD1 )
     6.0 0.1 0.1 peak 131 volume 313.31769 ppm1 1.4383883 ppm2 2.7822018
ASSI ( resid 31 and name HG1 )
     ( resid 31 and name HE1 )
     6.0 0.1 0.1 peak 132 volume 237.72600 ppm1 1.3178940 ppm2 2.7514153
  OR ( resid 31 and name HG1 )
     ( resid 31 and name HE2 )
ASSI ( resid 31 and name HG1 )
     ( resid 31 and name HE1 )
     6.0 0.1 0.1 peak 133 volume 346.17499 ppm1 1.2989808 ppm2 2.7447119
  OR ( resid 31 and name HG1 )
     ( resid 31 and name HE2 )
ASSI ( resid 17 and name HB1 )
     ( resid 30 and name HB1 )
     6.0 0.1 0.1 peak 134 volume 273.93909 ppm1 1.2336665 ppm2 2.7603669
ASSI ( resid 31 and name HG2 )
     ( resid 31 and name HE2 )
     6.0 0.1 0.1 peak 135 volume 727.40228 ppm1 1.2046993 ppm2 2.7475929
  OR ( resid 31 and name HG2 )
     ( resid 31 and name HE1 )
ASSI ( resid 17 and name HG )
     ( resid 30 and name HB1 )
     6.0 0.1 0.1 peak 136 volume 344.21460 ppm1 1.0074990 ppm2 2.7504315
ASSI ( resid 27 and name HG2 )
     ( resid 27 and name HD2 )
     6.0 0.1 0.1 peak 137 volume 301.48740 ppm1 0.9298617 ppm2 2.7022309
  OR ( resid 27 and name HG1 )
     ( resid 27 and name HD2 )
ASSI ( resid 27 and name HG1 )
     ( resid 27 and name HD1 )
     6.0 0.1 0.1 peak 138 volume 502.28070 ppm1 0.9335178 ppm2 2.7871091
  OR ( resid 27 and name HG2 )
     ( resid 27 and name HD1 )
ASSI ( resid 20 and name HG11 )
     ( resid 31 and name HE2 )
     6.0 0.1 0.1 peak 139 volume 190.84920 ppm1 0.8938276 ppm2 2.7532704
  OR ( resid 20 and name HG11 )
     ( resid 31 and name HE1 )
  OR ( resid 20 and name HG12 )
     ( resid 31 and name HE2 )
  OR ( resid 20 and name HG12 )
     ( resid 31 and name HE1 )
  OR ( resid 20 and name HG13 )
     ( resid 31 and name HE2 )
  OR ( resid 20 and name HG13 )
     ( resid 31 and name HE1 )
ASSI ( resid 20 and name HG22 )
     ( resid 31 and name HE1 )
     6.0 0.1 0.1 peak 140 volume 194.55360 ppm1 0.7297632 ppm2 2.7434916
  OR ( resid 20 and name HG22 )
     ( resid 31 and name HE2 )
  OR ( resid 20 and name HG21 )
     ( resid 31 and name HE1 )
  OR ( resid 20 and name HG21 )
     ( resid 31 and name HE2 )
  OR ( resid 20 and name HG23 )
     ( resid 31 and name HE1 )
  OR ( resid 20 and name HG23 )
     ( resid 31 and name HE2 )
ASSI ( resid 17 and name HD12 )
     ( resid 14 and name HD1 )
     6.0 0.1 0.1 peak 141 volume 202.41510 ppm1 0.2499502 ppm2 2.9912281
  OR ( resid 17 and name HD13 )
     ( resid 14 and name HD1 )
  OR ( resid 17 and name HD11 )
     ( resid 14 and name HD1 )
ASSI ( resid 17 and name HD11 )
     ( resid 31 and name HE2 )
     6.0 0.1 0.1 peak 142 volume 696.58508 ppm1 0.2490859 ppm2 2.7646251
  OR ( resid 17 and name HD11 )
     ( resid 31 and name HE1 )
  OR ( resid 17 and name HD13 )
     ( resid 31 and name HE2 )
  OR ( resid 17 and name HD13 )
     ( resid 31 and name HE1 )
  OR ( resid 17 and name HD12 )
     ( resid 31 and name HE2 )
  OR ( resid 17 and name HD12 )
     ( resid 31 and name HE1 )
ASSI ( resid 29 and name HB2 )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 143 volume 3001.28735 ppm1 2.4799800 ppm2 2.6353953
  OR ( resid 29 and name HB2 )
     ( resid 3 and name HB2 )
ASSI ( resid 20 and name HB )
     ( resid 31 and name HE2 )
     6.0 0.1 0.1 peak 144 volume 127.66670 ppm1 2.1853309 ppm2 2.7430398
  OR ( resid 20 and name HB )
     ( resid 31 and name HE1 )
ASSI ( resid 31 and name HB1 )
     ( resid 35 and name HB2 )
     6.0 0.1 0.1 peak 145 volume 110.00810 ppm1 1.9099824 ppm2 2.5862458
ASSI ( resid 32 and name HB2 )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 146 volume 3926.11230 ppm1 2.1399634 ppm2 2.3862257
ASSI ( resid 27 and name HB1 )
     ( resid 8 and name HB2 )
     6.0 0.1 0.1 peak 147 volume 263.81799 ppm1 1.4758962 ppm2 2.4506571
ASSI ( resid 27 and name HB2 )
     ( resid 8 and name HB2 )
     6.0 0.1 0.1 peak 148 volume 478.20160 ppm1 1.4259617 ppm2 2.4425051
ASSI ( resid 17 and name HB1 )
     ( resid 30 and name HB2 )
     6.0 0.1 0.1 peak 149 volume 428.80569 ppm1 1.2258263 ppm2 2.5514686
ASSI ( resid 17 and name HB1 )
     ( resid 13 and name HB2 )
     6.0 0.1 0.1 peak 150 volume 842.88379 ppm1 1.2253677 ppm2 2.4887919
  OR ( resid 17 and name HB1 )
     ( resid 13 and name HB1 )
ASSI ( resid 17 and name HG )
     ( resid 30 and name HB2 )
     6.0 0.1 0.1 peak 151 volume 913.86292 ppm1 1.0088326 ppm2 2.5484393
ASSI ( resid 17 and name HG )
     ( resid 13 and name HB2 )
     6.0 0.1 0.1 peak 152 volume 443.16711 ppm1 1.0060145 ppm2 2.4861779
  OR ( resid 17 and name HG )
     ( resid 13 and name HB1 )
ASSI ( resid 17 and name HD11 )
     ( resid 30 and name HB2 )
     6.0 0.1 0.1 peak 153 volume 365.49271 ppm1 0.2488647 ppm2 2.5425906
  OR ( resid 17 and name HD13 )
     ( resid 30 and name HB2 )
  OR ( resid 17 and name HD12 )
     ( resid 30 and name HB2 )
ASSI ( resid 33 and name HG1 )
     ( resid 33 and name HB1 )
     6.0 0.1 0.1 peak 154 volume 423.90741 ppm1 2.1100321 ppm2 2.2629685
  OR ( resid 33 and name HG2 )
     ( resid 33 and name HB1 )
ASSI ( resid 33 and name HB2 )
     ( resid 33 and name HB1 )
     6.0 0.1 0.1 peak 155 volume 4190.28369 ppm1 1.9879663 ppm2 2.2638812
ASSI ( resid 33 and name HB2 )
     ( resid 33 and name HG2 )
     6.0 0.1 0.1 peak 156 volume 3193.93530 ppm1 1.9765922 ppm2 2.1150963
  OR ( resid 33 and name HB2 )
     ( resid 33 and name HG1 )
ASSI ( resid 14 and name HB2 )
     ( resid 14 and name HB1 )
     6.0 0.1 0.1 peak 157 volume 4336.07275 ppm1 1.6933054 ppm2 2.2878091
ASSI ( resid 14 and name HG1 )
     ( resid 14 and name HB1 )
     6.0 0.1 0.1 peak 158 volume 324.23801 ppm1 1.4621609 ppm2 2.2878091
  OR ( resid 14 and name HG2 )
     ( resid 14 and name HB1 )
ASSI ( resid 20 and name HG12 )
     ( resid 20 and name HB )
     6.0 0.1 0.1 peak 159 volume 1024.94421 ppm1 0.8944982 ppm2 2.1862445
  OR ( resid 20 and name HG11 )
     ( resid 20 and name HB )
  OR ( resid 20 and name HG13 )
     ( resid 20 and name HB )
ASSI ( resid 18 and name HG21 )
     ( resid 33 and name HB1 )
     6.0 0.1 0.1 peak 160 volume 136.57750 ppm1 0.8052791 ppm2 2.2620442
ASSI ( resid 18 and name HD11 )
     ( resid 33 and name HB1 )
     6.0 0.1 0.1 peak 161 volume 128.51790 ppm1 0.7596371 ppm2 2.2631233
ASSI ( resid 20 and name HG23 )
     ( resid 20 and name HB )
     6.0 0.1 0.1 peak 162 volume 1043.60254 ppm1 0.7295591 ppm2 2.1849875
  OR ( resid 20 and name HG21 )
     ( resid 20 and name HB )
  OR ( resid 20 and name HG22 )
     ( resid 20 and name HB )
ASSI ( resid 19 and name HB2 )
     ( resid 19 and name HB1 )
     6.0 0.1 0.1 peak 163 volume 4255.91113 ppm1 1.6657516 ppm2 1.8798923
ASSI ( resid 1 and name HG )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 164 volume 928.72650 ppm1 1.5827357 ppm2 1.9137975
ASSI ( resid 31 and name HB2 )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 165 volume 4074.73071 ppm1 1.4717040 ppm2 1.9152640
ASSI ( resid 19 and name HD1 )
     ( resid 19 and name HB1 )
     6.0 0.1 0.1 peak 166 volume 731.38892 ppm1 1.5141369 ppm2 1.8903204
  OR ( resid 19 and name HD2 )
     ( resid 19 and name HB1 )
ASSI ( resid 19 and name HG1 )
     ( resid 19 and name HB1 )
     6.0 0.1 0.1 peak 167 volume 451.42340 ppm1 1.3885589 ppm2 1.8821089
  OR ( resid 19 and name HG2 )
     ( resid 19 and name HB1 )
ASSI ( resid 4 and name HG1 )
     ( resid 4 and name HB1 )
     6.0 0.1 0.1 peak 168 volume 534.13251 ppm1 1.4383669 ppm2 1.7724427
ASSI ( resid 14 and name HG2 )
     ( resid 14 and name HB2 )
     6.0 0.1 0.1 peak 169 volume 4372.57520 ppm1 1.4603082 ppm2 1.6888953
  OR ( resid 14 and name HG2 )
     ( resid 4 and name HD2 )
  OR ( resid 14 and name HG2 )
     ( resid 4 and name HD1 )
  OR ( resid 14 and name HG2 )
     ( resid 4 and name HB2 )
  OR ( resid 14 and name HG2 )
     ( resid 18 and name HB )
  OR ( resid 14 and name HG1 )
     ( resid 14 and name HB2 )
  OR ( resid 14 and name HG1 )
     ( resid 4 and name HD2 )
  OR ( resid 14 and name HG1 )
     ( resid 4 and name HD1 )
  OR ( resid 14 and name HG1 )
     ( resid 4 and name HB2 )
  OR ( resid 14 and name HG1 )
     ( resid 18 and name HB )
  OR ( resid 4 and name HG1 )
     ( resid 14 and name HB2 )
  OR ( resid 4 and name HG1 )
     ( resid 4 and name HD2 )
  OR ( resid 4 and name HG1 )
     ( resid 4 and name HD1 )
  OR ( resid 4 and name HG1 )
     ( resid 4 and name HB2 )
  OR ( resid 4 and name HG1 )
     ( resid 18 and name HB )
  OR ( resid 31 and name HB2 )
     ( resid 14 and name HB2 )
  OR ( resid 31 and name HB2 )
     ( resid 4 and name HD2 )
  OR ( resid 31 and name HB2 )
     ( resid 4 and name HD1 )
  OR ( resid 31 and name HB2 )
     ( resid 4 and name HB2 )
  OR ( resid 31 and name HB2 )
     ( resid 18 and name HB )
ASSI ( resid 19 and name HD2 )
     ( resid 19 and name HB2 )
     6.0 0.1 0.1 peak 170 volume 1934.17529 ppm1 1.5092793 ppm2 1.6727372
  OR ( resid 19 and name HD1 )
     ( resid 19 and name HB2 )
ASSI ( resid 19 and name HG2 )
     ( resid 19 and name HB2 )
     6.0 0.1 0.1 peak 171 volume 636.35461 ppm1 1.3916955 ppm2 1.6691964
  OR ( resid 19 and name HG1 )
     ( resid 19 and name HB2 )
ASSI ( resid 4 and name HG2 )
     ( resid 4 and name HD2 )
     6.0 0.1 0.1 peak 172 volume 2136.46606 ppm1 1.3556218 ppm2 1.6898800
  OR ( resid 4 and name HG2 )
     ( resid 4 and name HB2 )
  OR ( resid 4 and name HG2 )
     ( resid 4 and name HD1 )
ASSI ( resid 31 and name HG1 )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 173 volume 294.06781 ppm1 1.3084984 ppm2 1.9098347
  OR ( resid 36 and name HB1 )
     ( resid 31 and name HB1 )
ASSI ( resid 31 and name HG2 )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 174 volume 599.22028 ppm1 1.2000372 ppm2 1.9141712
ASSI ( resid 18 and name HG21 )
     ( resid 33 and name HB2 )
     6.0 0.1 0.1 peak 175 volume 111.17570 ppm1 0.8042981 ppm2 1.9830047
ASSI ( resid 18 and name HD11 )
     ( resid 33 and name HB2 )
     6.0 0.1 0.1 peak 176 volume 136.92740 ppm1 0.7603139 ppm2 1.9758012
ASSI ( resid 4 and name HG2 )
     ( resid 4 and name HG1 )
     6.0 0.1 0.1 peak 177 volume 511.95969 ppm1 1.3495915 ppm2 1.4582335
  OR ( resid 4 and name HG2 )
     ( resid 31 and name HB2 )
  OR ( resid 18 and name HG11 )
     ( resid 4 and name HG1 )
  OR ( resid 18 and name HG11 )
     ( resid 31 and name HB2 )
ASSI ( resid 31 and name HG1 )
     ( resid 1 and name HG )
     6.0 0.1 0.1 peak 178 volume 967.97882 ppm1 1.3047495 ppm2 1.5784171
  OR ( resid 36 and name HB1 )
     ( resid 1 and name HG )
ASSI ( resid 31 and name HG1 )
     ( resid 31 and name HB2 )
     6.0 0.1 0.1 peak 179 volume 113.19790 ppm1 1.3086121 ppm2 1.4847404
ASSI ( resid 31 and name HG2 )
     ( resid 31 and name HB2 )
     6.0 0.1 0.1 peak 180 volume 540.51678 ppm1 1.1949230 ppm2 1.4768314
ASSI ( resid 31 and name HG2 )
     ( resid 1 and name HG )
     6.0 0.1 0.1 peak 181 volume 1010.28339 ppm1 1.1967021 ppm2 1.5814857
ASSI ( resid 18 and name HG12 )
     ( resid 18 and name HB )
     6.0 0.1 0.1 peak 182 volume 182.94189 ppm1 0.9850359 ppm2 1.6670465
ASSI ( resid 1 and name HD13 )
     ( resid 1 and name HB2 )
     6.0 0.1 0.1 peak 183 volume 1985.79602 ppm1 0.8858119 ppm2 1.6136193
  OR ( resid 1 and name HD13 )
     ( resid 1 and name HB1 )
  OR ( resid 1 and name HD12 )
     ( resid 1 and name HB2 )
  OR ( resid 1 and name HD12 )
     ( resid 1 and name HB1 )
  OR ( resid 1 and name HD21 )
     ( resid 1 and name HB2 )
  OR ( resid 1 and name HD21 )
     ( resid 1 and name HB1 )
  OR ( resid 1 and name HD22 )
     ( resid 1 and name HB2 )
  OR ( resid 1 and name HD22 )
     ( resid 1 and name HB1 )
  OR ( resid 1 and name HD23 )
     ( resid 1 and name HB2 )
  OR ( resid 1 and name HD23 )
     ( resid 1 and name HB1 )
  OR ( resid 1 and name HD11 )
     ( resid 1 and name HB2 )
  OR ( resid 1 and name HD11 )
     ( resid 1 and name HB1 )
  OR ( resid 20 and name HG11 )
     ( resid 1 and name HB2 )
  OR ( resid 20 and name HG11 )
     ( resid 1 and name HB1 )
  OR ( resid 20 and name HG12 )
     ( resid 1 and name HB2 )
  OR ( resid 20 and name HG12 )
     ( resid 1 and name HB1 )
  OR ( resid 20 and name HG13 )
     ( resid 1 and name HB2 )
  OR ( resid 20 and name HG13 )
     ( resid 1 and name HB1 )
ASSI ( resid 27 and name HG1 )
     ( resid 27 and name HB1 )
     6.0 0.1 0.1 peak 184 volume 3164.51758 ppm1 0.9311729 ppm2 1.4985319
  OR ( resid 27 and name HG2 )
     ( resid 27 and name HB1 )
ASSI ( resid 27 and name HG2 )
     ( resid 27 and name HB2 )
     6.0 0.1 0.1 peak 185 volume 561.34583 ppm1 0.9294539 ppm2 1.4332575
  OR ( resid 27 and name HG1 )
     ( resid 27 and name HB2 )
ASSI ( resid 18 and name HG12 )
     ( resid 18 and name HG11 )
     6.0 0.1 0.1 peak 186 volume 3103.95972 ppm1 0.9804518 ppm2 1.3593241
ASSI ( resid 18 and name HG21 )
     ( resid 18 and name HB )
     6.0 0.1 0.1 peak 187 volume 1122.21118 ppm1 0.8051339 ppm2 1.6694349
  OR ( resid 18 and name HG21 )
     ( resid 19 and name HB2 )
ASSI ( resid 18 and name HD11 )
     ( resid 18 and name HB )
     6.0 0.1 0.1 peak 188 volume 384.72559 ppm1 0.7557660 ppm2 1.6698546
ASSI ( resid 20 and name HG23 )
     ( resid 1 and name HG )
     6.0 0.1 0.1 peak 189 volume 358.64600 ppm1 0.7280881 ppm2 1.5764431
  OR ( resid 20 and name HG21 )
     ( resid 1 and name HG )
  OR ( resid 20 and name HG22 )
     ( resid 1 and name HG )
ASSI ( resid 20 and name HG21 )
     ( resid 31 and name HB2 )
     6.0 0.1 0.1 peak 190 volume 90.56170 ppm1 0.7301292 ppm2 1.4765528
  OR ( resid 20 and name HG22 )
     ( resid 31 and name HB2 )
  OR ( resid 20 and name HG23 )
     ( resid 31 and name HB2 )
ASSI ( resid 20 and name HG11 )
     ( resid 31 and name HG1 )
     6.0 0.1 0.1 peak 191 volume 72.38480 ppm1 0.9032068 ppm2 1.3091021
  OR ( resid 20 and name HG11 )
     ( resid 36 and name HB1 )
  OR ( resid 20 and name HG12 )
     ( resid 31 and name HG1 )
  OR ( resid 20 and name HG12 )
     ( resid 36 and name HB1 )
  OR ( resid 20 and name HG13 )
     ( resid 31 and name HG1 )
  OR ( resid 20 and name HG13 )
     ( resid 36 and name HB1 )
ASSI ( resid 18 and name HG21 )
     ( resid 18 and name HG11 )
     6.0 0.1 0.1 peak 192 volume 347.89890 ppm1 0.8039564 ppm2 1.3632219
ASSI ( resid 18 and name HD11 )
     ( resid 18 and name HG11 )
     6.0 0.1 0.1 peak 193 volume 836.03699 ppm1 0.7521342 ppm2 1.3531922
ASSI ( resid 17 and name HD11 )
     ( resid 14 and name HB2 )
     6.0 0.1 0.1 peak 194 volume 371.12610 ppm1 0.2511971 ppm2 1.6923996
  OR ( resid 17 and name HD11 )
     ( resid 4 and name HD2 )
  OR ( resid 17 and name HD11 )
     ( resid 4 and name HD1 )
  OR ( resid 17 and name HD12 )
     ( resid 14 and name HB2 )
  OR ( resid 17 and name HD12 )
     ( resid 4 and name HD2 )
  OR ( resid 17 and name HD12 )
     ( resid 4 and name HD1 )
  OR ( resid 17 and name HD13 )
     ( resid 14 and name HB2 )
  OR ( resid 17 and name HD13 )
     ( resid 4 and name HD2 )
  OR ( resid 17 and name HD13 )
     ( resid 4 and name HD1 )
ASSI ( resid 17 and name HD11 )
     ( resid 31 and name HB2 )
     6.0 0.1 0.1 peak 195 volume 201.50420 ppm1 0.2468725 ppm2 1.4622242
  OR ( resid 17 and name HD13 )
     ( resid 31 and name HB2 )
  OR ( resid 17 and name HD12 )
     ( resid 31 and name HB2 )
ASSI ( resid 31 and name HG2 )
     ( resid 31 and name HG1 )
     6.0 0.1 0.1 peak 196 volume 1891.35291 ppm1 1.2035625 ppm2 1.3149347
  OR ( resid 31 and name HG2 )
     ( resid 36 and name HB1 )
ASSI ( resid 17 and name HG )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 197 volume 3091.64648 ppm1 1.0062923 ppm2 1.2249652
ASSI ( resid 20 and name HG22 )
     ( resid 31 and name HG1 )
     6.0 0.1 0.1 peak 198 volume 380.44180 ppm1 0.7285736 ppm2 1.3100073
  OR ( resid 20 and name HG22 )
     ( resid 36 and name HB1 )
  OR ( resid 20 and name HG21 )
     ( resid 31 and name HG1 )
  OR ( resid 20 and name HG21 )
     ( resid 36 and name HB1 )
  OR ( resid 20 and name HG23 )
     ( resid 31 and name HG1 )
  OR ( resid 20 and name HG23 )
     ( resid 36 and name HB1 )
ASSI ( resid 18 and name HG21 )
     ( resid 18 and name HG12 )
     6.0 0.1 0.1 peak 199 volume 321.54559 ppm1 0.8086748 ppm2 0.9835212
ASSI ( resid 18 and name HD11 )
     ( resid 18 and name HG12 )
     6.0 0.1 0.1 peak 200 volume 1393.02429 ppm1 0.7550083 ppm2 0.9815235
ASSI ( resid 17 and name HD11 )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 201 volume 395.05069 ppm1 0.2461770 ppm2 1.2280099
  OR ( resid 17 and name HD12 )
     ( resid 17 and name HB1 )
  OR ( resid 17 and name HD13 )
     ( resid 17 and name HB1 )
ASSI ( resid 17 and name HD12 )
     ( resid 17 and name HG )
     6.0 0.1 0.1 peak 202 volume 312.23431 ppm1 0.2499437 ppm2 1.0055997
  OR ( resid 17 and name HD11 )
     ( resid 17 and name HG )
  OR ( resid 17 and name HD13 )
     ( resid 17 and name HG )
ASSI ( resid 20 and name HG22 )
     ( resid 20 and name HG13 )
     6.0 0.1 0.1 peak 203 volume 907.37347 ppm1 0.7291810 ppm2 0.9002908
  OR ( resid 20 and name HG22 )
     ( resid 20 and name HG11 )
  OR ( resid 20 and name HG22 )
     ( resid 20 and name HG12 )
  OR ( resid 20 and name HG21 )
     ( resid 20 and name HG13 )
  OR ( resid 20 and name HG21 )
     ( resid 20 and name HG11 )
  OR ( resid 20 and name HG21 )
     ( resid 20 and name HG12 )
  OR ( resid 20 and name HG23 )
     ( resid 20 and name HG13 )
  OR ( resid 20 and name HG23 )
     ( resid 20 and name HG11 )
  OR ( resid 20 and name HG23 )
     ( resid 20 and name HG12 )
ASSI ( resid 17 and name HD11 )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 204 volume 424.31400 ppm1 0.2426292 ppm2 0.6693660
  OR ( resid 17 and name HD13 )
     ( resid 17 and name HB2 )
  OR ( resid 17 and name HD12 )
     ( resid 17 and name HB2 )
ASSI ( resid 17 and name HD22 )
     ( resid 17 and name HD13 )
     6.0 0.1 0.1 peak 205 volume 351.68869 ppm1 -0.1850619 ppm2 0.2465690
  OR ( resid 17 and name HD22 )
     ( resid 17 and name HD11 )
  OR ( resid 17 and name HD22 )
     ( resid 17 and name HD12 )
  OR ( resid 17 and name HD21 )
     ( resid 17 and name HD13 )
  OR ( resid 17 and name HD21 )
     ( resid 17 and name HD11 )
  OR ( resid 17 and name HD21 )
     ( resid 17 and name HD12 )
  OR ( resid 17 and name HD23 )
     ( resid 17 and name HD13 )
  OR ( resid 17 and name HD23 )
     ( resid 17 and name HD11 )
  OR ( resid 17 and name HD23 )
     ( resid 17 and name HD12 )
ASSI ( resid 17 and name HD23 )
     ( resid 17 and name HG )
     6.0 0.1 0.1 peak 206 volume 74.37150 ppm1 -0.1802946 ppm2 1.0047685
  OR ( resid 17 and name HD21 )
     ( resid 17 and name HG )
  OR ( resid 17 and name HD22 )
     ( resid 17 and name HG )
ASSI ( resid 17 and name HD21 )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 207 volume 101.99100 ppm1 -0.1842172 ppm2 0.6575059
  OR ( resid 17 and name HD22 )
     ( resid 17 and name HB2 )
  OR ( resid 17 and name HD23 )
     ( resid 17 and name HB2 )
ASSI ( resid 17 and name HD11 )
     ( resid 17 and name HA )
     6.0 0.1 0.1 peak 208 volume 69.03550 ppm1 0.2423399 ppm2 4.4466696
  OR ( resid 17 and name HD12 )
     ( resid 17 and name HA )
  OR ( resid 17 and name HD13 )
     ( resid 17 and name HA )
ASSI ( resid 17 and name HD13 )
     ( resid 13 and name HA )
     6.0 0.1 0.1 peak 209 volume 30.41120 ppm1 0.2509814 ppm2 4.7706404
  OR ( resid 17 and name HD13 )
     ( resid 31 and name HA )
  OR ( resid 17 and name HD12 )
     ( resid 13 and name HA )
  OR ( resid 17 and name HD12 )
     ( resid 31 and name HA )
  OR ( resid 17 and name HD11 )
     ( resid 13 and name HA )
  OR ( resid 17 and name HD11 )
     ( resid 31 and name HA )
ASSI ( resid 27 and name HB2 )
     ( resid 23 and name HB2 )
     6.0 0.1 0.1 peak 210 volume 1085.58240 ppm1 1.4370127 ppm2 3.1449642
  OR ( resid 27 and name HB2 )
     ( resid 23 and name HB1 )
ASSI ( resid 17 and name HD12 )
     ( resid 13 and name HB1 )
     6.0 0.1 0.1 peak 211 volume 113.93190 ppm1 0.2513200 ppm2 2.4931386
  OR ( resid 17 and name HD12 )
     ( resid 13 and name HB2 )
  OR ( resid 17 and name HD13 )
     ( resid 13 and name HB1 )
  OR ( resid 17 and name HD13 )
     ( resid 13 and name HB2 )
  OR ( resid 17 and name HD11 )
     ( resid 13 and name HB1 )
  OR ( resid 17 and name HD11 )
     ( resid 13 and name HB2 )
ASSI ( resid 31 and name HG1 )
     ( resid 1 and name HB2 )
     6.0 0.1 0.1 peak 212 volume 174.04820 ppm1 1.2930660 ppm2 1.6271163
  OR ( resid 31 and name HG1 )
     ( resid 1 and name HB1 )
  OR ( resid 36 and name HB1 )
     ( resid 1 and name HB2 )
  OR ( resid 36 and name HB1 )
     ( resid 1 and name HB1 )
ASSI ( resid 28 and name HB2 )
     ( resid 19 and name HA )
     6.0 0.1 0.1 peak 213 volume 82.16770 ppm1 3.6540215 ppm2 4.8425965
ASSI ( resid 2 and name HB1 )
     ( resid 23 and name HA )
     6.0 0.1 0.1 peak 214 volume 119.13300 ppm1 3.2020378 ppm2 4.7715926
ASSI ( resid 29 and name HB1 )
     ( resid 22 and name HA )
     6.0 0.1 0.1 peak 215 volume 56.75420 ppm1 2.6347113 ppm2 5.0682039
ASSI ( resid 8 and name HB1 )
     ( resid 22 and name HA )
     6.0 0.1 0.1 peak 216 volume 60.04800 ppm1 2.9103189 ppm2 5.0669923
ASSI ( attr store1 < 2.5679147 and attr store1 > 2.5279147 )
     ( attr store1 < 4.7980342 and attr store1 > 4.7580342 )
     6.0 0.1 0.1 peak 217 volume 121.78380 ppm1 2.5479147 ppm2 4.7780342
ASSI ( resid 27 and name HD1 )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 218 volume 64.81030 ppm1 2.7920570 ppm2 4.5862441
ASSI ( resid 13 and name HB1 )
     ( resid 16 and name HA )
     6.0 0.1 0.1 peak 219 volume 80.37560 ppm1 2.4870079 ppm2 4.3749447
  OR ( resid 13 and name HB1 )
     ( resid 18 and name HA )
  OR ( resid 13 and name HB2 )
     ( resid 16 and name HA )
  OR ( resid 13 and name HB2 )
     ( resid 18 and name HA )
ASSI ( resid 29 and name HB1 )
     ( resid 21 and name HA1 )
     6.0 0.1 0.1 peak 220 volume 53.42970 ppm1 2.6336277 ppm2 4.2673011
ASSI ( resid 32 and name HB1 )
     ( resid 35 and name HB1 )
     6.0 0.1 0.1 peak 221 volume 86.64150 ppm1 2.3843560 ppm2 2.8444066
ASSI ( resid 33 and name HB1 )
     ( resid 33 and name HD1 )
     6.0 0.1 0.1 peak 222 volume 102.11370 ppm1 2.2661345 ppm2 3.9855082
ASSI ( resid 19 and name HG1 )
     ( resid 19 and name HA )
     6.0 0.1 0.1 peak 223 volume 356.70319 ppm1 1.3874072 ppm2 4.8446441
  OR ( resid 19 and name HG2 )
     ( resid 19 and name HA )
ASSI ( resid 27 and name HD1 )
     ( resid 8 and name HA )
     6.0 0.1 0.1 peak 224 volume 0.78240 ppm1 2.7837670 ppm2 5.7012405
ASSI ( resid 27 and name HD2 )
     ( resid 8 and name HA )
     6.0 0.1 0.1 peak 225 volume 3.50200 ppm1 2.6845291 ppm2 5.7013812
ASSI ( resid 27 and name HB2 )
     ( resid 8 and name HA )
     6.0 0.1 0.1 peak 226 volume 17.24820 ppm1 1.4228534 ppm2 5.7009172
ASSI ( resid 27 and name HB1 )
     ( resid 8 and name HA )
     6.0 0.1 0.1 peak 227 volume 0.71200 ppm1 1.4884545 ppm2 5.7013812
ASSI ( resid 13 and name HB1 )
     ( resid 30 and name HA )
     6.0 0.1 0.1 peak 228 volume 14.51020 ppm1 2.4887671 ppm2 5.5362606
  OR ( resid 13 and name HB2 )
     ( resid 30 and name HA )
ASSI ( resid 17 and name HB1 )
     ( resid 30 and name HA )
     6.0 0.1 0.1 peak 229 volume 3.95230 ppm1 1.2275071 ppm2 5.5357971
ASSI ( resid 17 and name HG )
     ( resid 30 and name HA )
     6.0 0.1 0.1 peak 230 volume 30.34030 ppm1 1.0054640 ppm2 5.5357971
ASSI ( resid 17 and name HD11 )
     ( resid 30 and name HA )
     6.0 0.1 0.1 peak 231 volume -3.06050 ppm1 0.2580852 ppm2 5.5357971
  OR ( resid 17 and name HD13 )
     ( resid 30 and name HA )
  OR ( resid 17 and name HD12 )
     ( resid 30 and name HA )
ASSI ( resid 20 and name HG22 )
     ( resid 30 and name HA )
     6.0 0.1 0.1 peak 232 volume 34.82620 ppm1 0.7306341 ppm2 5.5399127
  OR ( resid 20 and name HG21 )
     ( resid 30 and name HA )
  OR ( resid 20 and name HG23 )
     ( resid 30 and name HA )
ASSI ( resid 17 and name HD21 )
     ( resid 30 and name HB1 )
     6.0 0.1 0.1 peak 233 volume 17.06910 ppm1 -0.1842978 ppm2 2.7438269
  OR ( resid 17 and name HD22 )
     ( resid 30 and name HB1 )
  OR ( resid 17 and name HD23 )
     ( resid 30 and name HB1 )
ASSI ( resid 17 and name HD21 )
     ( resid 30 and name HB2 )
     6.0 0.1 0.1 peak 234 volume 9.49010 ppm1 -0.1843924 ppm2 2.5492656
  OR ( resid 17 and name HD22 )
     ( resid 30 and name HB2 )
  OR ( resid 17 and name HD23 )
     ( resid 30 and name HB2 )
ASSI ( resid 22 and name HA )
     ( resid 28 and name HA )
     6.0 0.1 0.1 peak 235 volume 60.18380 ppm1 5.0728426 ppm2 4.6184154
ASSI ( resid 22 and name HA )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 236 volume 4.49560 ppm1 5.0706964 ppm2 2.6424780
ASSI ( resid 22 and name HA )
     ( resid 29 and name HB2 )
     6.0 0.1 0.1 peak 237 volume 5.22740 ppm1 5.0706964 ppm2 2.4709775
ASSI ( resid 32 and name HA )
     ( resid 17 and name HA )
     6.0 0.1 0.1 peak 238 volume 26.75070 ppm1 4.5596199 ppm2 4.4549007


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LEU   1           1HT      LEU   1   3.816   2.735  -8.270
    2    H2   LEU   1           2HT      LEU   1   3.189   1.242  -7.795
    3    H3   LEU   1           3HT      LEU   1   4.587   1.842  -7.063
    4    HA   LEU   1           HA       LEU   1   2.515   2.046  -5.714
    5    HB2  LEU   1           2HB      LEU   1   4.677   3.390  -5.545
    6    HB3  LEU   1           1HB      LEU   1   3.854   4.654  -6.436
    7    HG   LEU   1           HG       LEU   1   3.024   3.589  -3.734
    8   HD11  LEU   1          2HD1      LEU   1   5.119   4.902  -3.730
    9   HD12  LEU   1          3HD1      LEU   1   3.807   5.684  -2.850
   10   HD13  LEU   1          1HD1      LEU   1   4.245   6.246  -4.464
   11   HD21  LEU   1          1HD2      LEU   1   1.857   5.663  -5.566
   12   HD22  LEU   1          2HD2      LEU   1   1.599   5.723  -3.822
   13   HD23  LEU   1          3HD2      LEU   1   1.048   4.326  -4.747
   14    H    PHE   2           H        PHE   2   0.392   2.091  -6.234
   15    HA   PHE   2           HA       PHE   2  -0.549   3.795  -8.379
   16    HB2  PHE   2           2HB      PHE   2  -1.309   1.470  -8.272
   17    HB3  PHE   2           1HB      PHE   2  -2.049   1.783  -6.708
   18    HD1  PHE   2           2HD      PHE   2  -2.051   3.648  -9.942
   19    HD2  PHE   2           1HD      PHE   2  -4.338   1.728  -6.908
   20    HE1  PHE   2           2HE      PHE   2  -4.123   4.338 -11.072
   21    HE2  PHE   2           1HE      PHE   2  -6.412   2.413  -8.037
   22    HZ   PHE   2           HZ       PHE   2  -6.308   3.721 -10.119
   23    H    CYS   3           H        CYS   3  -2.342   3.077  -5.473
   24    HA   CYS   3           HA       CYS   3  -3.587   5.572  -5.336
   25    HB2  CYS   3           2HB      CYS   3  -4.187   4.862  -2.979
   26    HB3  CYS   3           1HB      CYS   3  -4.632   3.734  -4.253
   27    H    LYS   4           H        LYS   4  -3.424   6.559  -2.802
   28    HA   LYS   4           HA       LYS   4  -0.999   8.074  -2.927
   29    HB2  LYS   4           2HB      LYS   4  -3.172   8.004  -0.827
   30    HB3  LYS   4           1HB      LYS   4  -1.850   9.161  -0.863
   31    HG2  LYS   4           2HG      LYS   4  -2.656   9.956  -3.060
   32    HG3  LYS   4           1HG      LYS   4  -4.031   8.865  -2.913
   33    HD2  LYS   4           2HD      LYS   4  -3.350  11.115  -1.020
   34    HD3  LYS   4           1HD      LYS   4  -4.615  11.147  -2.245
   35    HE2  LYS   4           2HE      LYS   4  -4.511   9.204   0.059
   36    HE3  LYS   4           1HE      LYS   4  -5.451  10.690   0.049
   37    HZ1  LYS   4           3HZ      LYS   4  -5.879   8.219  -1.477
   38    HZ2  LYS   4           1HZ      LYS   4  -6.436   9.682  -2.109
   39    HZ3  LYS   4           2HZ      LYS   4  -6.989   9.146  -0.608
   40    H    GLY   5           H        GLY   5  -0.090   5.619  -2.757
   41    HA2  GLY   5           2HA      GLY   5   1.688   5.564  -0.670
   42    HA3  GLY   5           1HA      GLY   5   0.304   4.627  -0.120
   43    H    GLY   6           H        GLY   6  -0.464   3.494  -2.561
   44    HA2  GLY   6           2HA      GLY   6   1.425   2.305  -4.146
   45    HA3  GLY   6           1HA      GLY   6   1.386   1.312  -2.696
   46    H    SER   7           H        SER   7   0.129  -0.389  -2.886
   47    HA   SER   7           HA       SER   7  -2.204  -0.259  -4.669
   48    HB2  SER   7           2HB      SER   7  -0.563  -2.040  -5.180
   49    HB3  SER   7           1HB      SER   7  -0.745  -2.670  -3.545
   50    HG   SER   7           HG       SER   7  -2.890  -3.174  -4.012
   51    H    CYS   8           H        CYS   8  -4.132  -0.040  -3.681
   52    HA   CYS   8           HA       CYS   8  -4.470   0.122  -0.935
   53    HB2  CYS   8           2HB      CYS   8  -6.776  -0.825  -2.564
   54    HB3  CYS   8           1HB      CYS   8  -6.696   0.431  -1.338
   55    H    HIS   9           H        HIS   9  -4.816  -1.301   0.661
   56    HA   HIS   9           HA       HIS   9  -4.278  -4.033   0.256
   57    HB2  HIS   9           2HB      HIS   9  -5.006  -2.341   2.560
   58    HB3  HIS   9           1HB      HIS   9  -5.441  -4.037   2.711
   59    HD1  HIS   9           1HD      HIS   9  -3.513  -3.513   4.712
   60    HD2  HIS   9           2HD      HIS   9  -2.262  -4.032   0.790
   61    HE1  HIS   9           1HE      HIS   9  -1.087  -4.134   4.855
   62    HE2  HIS   9           2HE      HIS   9  -0.463  -4.737   2.498
   63    H    PHE  10           H        PHE  10  -5.852  -4.425  -1.460
   64    HA   PHE  10           HA       PHE  10  -8.646  -4.528  -0.796
   65    HB2  PHE  10           2HB      PHE  10  -7.152  -5.771  -3.119
   66    HB3  PHE  10           1HB      PHE  10  -8.900  -5.651  -2.979
   67    HD1  PHE  10           1HD      PHE  10  -9.880  -3.270  -2.767
   68    HD2  PHE  10           2HD      PHE  10  -5.955  -4.103  -4.186
   69    HE1  PHE  10           1HE      PHE  10  -9.828  -1.086  -3.895
   70    HE2  PHE  10           2HE      PHE  10  -5.894  -1.917  -5.312
   71    HZ   PHE  10           HZ       PHE  10  -7.833  -0.405  -5.167
   72    H    GLY  11           H        GLY  11  -7.798  -5.769   1.247
   73    HA2  GLY  11           2HA      GLY  11  -7.956  -7.722   2.450
   74    HA3  GLY  11           1HA      GLY  11  -8.733  -8.444   1.045
   75    H    GLY  12           H        GLY  12  -5.681  -6.975   0.586
   76    HA2  GLY  12           2HA      GLY  12  -3.850  -8.911   1.268
   77    HA3  GLY  12           1HA      GLY  12  -4.481  -9.401  -0.298
   78    H    CYS  13           H        CYS  13  -2.385  -9.093  -1.195
   79    HA   CYS  13           HA       CYS  13  -2.003  -6.756  -2.588
   80    HB2  CYS  13           2HB      CYS  13  -0.996  -6.570   0.137
   81    HB3  CYS  13           1HB      CYS  13   0.282  -6.323  -1.047
   82    HA   PRO  14           HA       PRO  14   0.970  -8.936  -4.981
   83    HB2  PRO  14           2HB      PRO  14   3.048  -6.976  -4.087
   84    HB3  PRO  14           1HB      PRO  14   2.665  -7.541  -5.718
   85    HG2  PRO  14           2HG      PRO  14   1.854  -5.142  -4.839
   86    HG3  PRO  14           1HG      PRO  14   0.864  -6.120  -5.934
   87    HD2  PRO  14           2HD      PRO  14   0.478  -5.532  -3.064
   88    HD3  PRO  14           1HD      PRO  14  -0.716  -5.985  -4.293
   89    H    SER  15           H        SER  15   2.282  -7.762  -1.911
   90    HA   SER  15           HA       SER  15   2.913 -10.375  -0.996
   91    HB2  SER  15           2HB      SER  15   5.403  -9.948  -0.821
   92    HB3  SER  15           1HB      SER  15   4.815 -10.224  -2.456
   93    HG   SER  15           HG       SER  15   5.326  -8.250  -2.985
   94    H    HIS  16           H        HIS  16   5.000  -9.517   0.817
   95    HA   HIS  16           HA       HIS  16   3.336  -8.206   2.754
   96    HB2  HIS  16           2HB      HIS  16   4.866 -10.026   3.398
   97    HB3  HIS  16           1HB      HIS  16   6.240  -9.022   2.945
   98    HD1  HIS  16           1HD      HIS  16   3.243  -8.684   5.286
   99    HD2  HIS  16           2HD      HIS  16   7.296  -7.781   5.083
  100    HE1  HIS  16           1HE      HIS  16   3.811  -7.631   7.495
  101    HE2  HIS  16           2HE      HIS  16   6.236  -6.974   7.299
  102    H    LEU  17           H        LEU  17   3.509  -6.445   0.787
  103    HA   LEU  17           HA       LEU  17   5.684  -4.634   0.921
  104    HB2  LEU  17           2HB      LEU  17   2.854  -4.088   0.041
  105    HB3  LEU  17           1HB      LEU  17   4.262  -3.138  -0.362
  106    HG   LEU  17           HG       LEU  17   3.659  -5.940  -1.288
  107   HD11  LEU  17          1HD1      LEU  17   3.679  -4.784  -3.531
  108   HD12  LEU  17          2HD1      LEU  17   3.629  -3.260  -2.647
  109   HD13  LEU  17          3HD1      LEU  17   2.309  -4.418  -2.481
  110   HD21  LEU  17          3HD2      LEU  17   6.025  -4.187  -1.940
  111   HD22  LEU  17          1HD2      LEU  17   5.685  -5.777  -2.619
  112   HD23  LEU  17          2HD2      LEU  17   6.064  -5.614  -0.905
  113    H    ILE  18           H        ILE  18   5.925  -2.725   2.084
  114    HA   ILE  18           HA       ILE  18   4.565  -2.620   4.589
  115    HB   ILE  18           HB       ILE  18   5.862  -0.583   5.035
  116   HG12  ILE  18          2HG1      ILE  18   7.057  -0.943   2.280
  117   HG13  ILE  18          1HG1      ILE  18   5.821   0.253   2.651
  118   HG21  ILE  18          1HG2      ILE  18   7.124  -2.330   5.719
  119   HG22  ILE  18          2HG2      ILE  18   8.186  -1.752   4.438
  120   HG23  ILE  18          3HG2      ILE  18   7.106  -3.113   4.141
  121   HD11  ILE  18          3HD1      ILE  18   7.288   1.396   4.148
  122   HD12  ILE  18          1HD1      ILE  18   8.128   1.149   2.618
  123   HD13  ILE  18          2HD1      ILE  18   8.502   0.124   4.004
  124    H    LYS  19           H        LYS  19   2.975  -1.311   5.287
  125    HA   LYS  19           HA       LYS  19   1.286  -0.077   3.356
  126    HB2  LYS  19           2HB      LYS  19   0.223  -1.026   5.270
  127    HB3  LYS  19           1HB      LYS  19   1.262  -0.134   6.376
  128    HG2  LYS  19           2HG      LYS  19   0.203   1.966   5.618
  129    HG3  LYS  19           1HG      LYS  19  -0.883   1.018   4.602
  130    HD2  LYS  19           2HD      LYS  19  -1.805  -0.080   6.557
  131    HD3  LYS  19           1HD      LYS  19  -0.651   0.750   7.601
  132    HE2  LYS  19           2HE      LYS  19  -2.752   2.106   5.912
  133    HE3  LYS  19           1HE      LYS  19  -2.897   1.783   7.636
  134    HZ1  LYS  19           3HZ      LYS  19  -0.516   3.077   7.413
  135    HZ2  LYS  19           1HZ      LYS  19  -1.973   3.772   7.906
  136    HZ3  LYS  19           2HZ      LYS  19  -1.490   3.880   6.293
  137    H    VAL  20           H        VAL  20   1.136   2.029   2.775
  138    HA   VAL  20           HA       VAL  20   2.536   4.077   4.312
  139    HB   VAL  20           HB       VAL  20   3.703   4.967   2.350
  140   HG11  VAL  20          1HG1      VAL  20   4.382   2.065   2.815
  141   HG12  VAL  20          2HG1      VAL  20   4.879   3.407   3.844
  142   HG13  VAL  20          3HG1      VAL  20   5.464   3.305   2.183
  143   HG21  VAL  20          3HG2      VAL  20   3.416   2.537   0.734
  144   HG22  VAL  20          1HG2      VAL  20   3.438   4.231   0.246
  145   HG23  VAL  20          2HG2      VAL  20   1.953   3.508   0.863
  146    H    GLY  21           H        GLY  21  -0.212   3.467   3.839
  147    HA2  GLY  21           2HA      GLY  21  -1.443   5.827   3.594
  148    HA3  GLY  21           1HA      GLY  21  -1.197   5.394   1.906
  149    H    SER  22           H        SER  22  -3.546   5.395   1.770
  150    HA   SER  22           HA       SER  22  -4.604   2.799   1.844
  151    HB2  SER  22           2HB      SER  22  -4.726   3.247   4.279
  152    HB3  SER  22           1HB      SER  22  -5.767   4.625   3.954
  153    HG   SER  22           HG       SER  22  -6.910   2.688   4.501
  154    H    CYS  23           H        CYS  23  -6.467   2.633   0.752
  155    HA   CYS  23           HA       CYS  23  -7.316   5.040  -0.677
  156    HB2  CYS  23           2HB      CYS  23  -7.911   2.115  -1.226
  157    HB3  CYS  23           1HB      CYS  23  -8.384   3.466  -2.252
  158    H    PHE  24           H        PHE  24  -9.923   3.420  -1.228
  159    HA   PHE  24           HA       PHE  24 -11.539   4.808   0.586
  160    HB2  PHE  24           2HB      PHE  24 -12.390   3.963  -1.556
  161    HB3  PHE  24           1HB      PHE  24 -12.188   2.306  -0.994
  162    HD1  PHE  24           1HD      PHE  24 -13.629   5.322   0.662
  163    HD2  PHE  24           2HD      PHE  24 -14.284   1.374  -0.781
  164    HE1  PHE  24           1HE      PHE  24 -15.904   5.363   1.593
  165    HE2  PHE  24           2HE      PHE  24 -16.561   1.411   0.146
  166    HZ   PHE  24           HZ       PHE  24 -17.375   3.407   1.334
  167    H    GLY  25           H        GLY  25 -12.619   4.179   2.452
  168    HA2  GLY  25           2HA      GLY  25 -12.810   3.141   4.488
  169    HA3  GLY  25           1HA      GLY  25 -12.705   1.645   3.574
  170    H    PHE  26           H        PHE  26 -11.241   0.345   4.436
  171    HA   PHE  26           HA       PHE  26  -8.776   1.534   5.511
  172    HB2  PHE  26           2HB      PHE  26 -10.359  -0.876   6.332
  173    HB3  PHE  26           1HB      PHE  26  -8.642  -0.775   6.710
  174    HD1  PHE  26           1HD      PHE  26 -11.440   1.706   6.780
  175    HD2  PHE  26           2HD      PHE  26  -8.324  -0.260   8.909
  176    HE1  PHE  26           1HE      PHE  26 -11.930   3.078   8.760
  177    HE2  PHE  26           2HE      PHE  26  -8.814   1.106  10.889
  178    HZ   PHE  26           HZ       PHE  26 -10.618   2.778  10.818
  179    H    ARG  27           H        ARG  27  -9.119   1.013   2.744
  180    HA   ARG  27           HA       ARG  27  -7.737  -1.433   2.105
  181    HB2  ARG  27           2HB      ARG  27  -8.362   0.982   0.398
  182    HB3  ARG  27           1HB      ARG  27  -7.691  -0.525  -0.194
  183    HG2  ARG  27           2HG      ARG  27 -10.352  -0.246   1.145
  184    HG3  ARG  27           1HG      ARG  27 -10.090  -0.274  -0.599
  185    HD2  ARG  27           2HD      ARG  27  -9.023  -2.497  -0.336
  186    HD3  ARG  27           1HD      ARG  27  -9.480  -2.466   1.369
  187    HE   ARG  27           HE       ARG  27 -11.692  -1.938  -0.318
  188   HH11  ARG  27          1HH1      ARG  27  -9.738  -4.523   1.004
  189   HH12  ARG  27          2HH1      ARG  27 -10.933  -5.748   0.731
  190   HH21  ARG  27          1HH2      ARG  27 -13.291  -3.556  -0.656
  191   HH22  ARG  27          2HH2      ARG  27 -12.954  -5.197  -0.212
  192    H    SER  28           H        SER  28  -6.137  -0.576   3.858
  193    HA   SER  28           HA       SER  28  -4.325   1.400   3.602
  194    HB2  SER  28           2HB      SER  28  -3.672  -1.449   4.368
  195    HB3  SER  28           1HB      SER  28  -2.736  -0.021   4.800
  196    HG   SER  28           HG       SER  28  -5.208   0.466   5.554
  197    H    CYS  29           H        CYS  29  -3.013   2.068   2.059
  198    HA   CYS  29           HA       CYS  29  -2.450   0.524  -0.260
  199    HB2  CYS  29           2HB      CYS  29  -1.412   3.188   0.710
  200    HB3  CYS  29           1HB      CYS  29  -0.941   2.474  -0.826
  201    H    CYS  30           H        CYS  30  -0.922  -0.924  -0.519
  202    HA   CYS  30           HA       CYS  30   1.306  -1.052   1.384
  203    HB2  CYS  30           2HB      CYS  30   1.461  -3.353   0.857
  204    HB3  CYS  30           1HB      CYS  30  -0.257  -3.022   0.970
  205    H    LYS  31           H        LYS  31   3.443  -1.081   0.679
  206    HA   LYS  31           HA       LYS  31   4.033  -0.991  -2.157
  207    HB2  LYS  31           2HB      LYS  31   3.528   1.345  -1.690
  208    HB3  LYS  31           1HB      LYS  31   4.650   1.343  -0.339
  209    HG2  LYS  31           2HG      LYS  31   6.043   0.501  -2.671
  210    HG3  LYS  31           1HG      LYS  31   5.139   1.963  -3.054
  211    HD2  LYS  31           2HD      LYS  31   7.032   1.627  -0.729
  212    HD3  LYS  31           1HD      LYS  31   7.393   2.468  -2.235
  213    HE2  LYS  31           2HE      LYS  31   5.590   4.059  -1.771
  214    HE3  LYS  31           1HE      LYS  31   5.252   3.224  -0.257
  215    HZ1  LYS  31           3HZ      LYS  31   7.784   4.594  -0.955
  216    HZ2  LYS  31           1HZ      LYS  31   7.492   3.765   0.485
  217    HZ3  LYS  31           2HZ      LYS  31   6.616   5.160   0.118
  218    H    TRP  32           H        TRP  32   6.258  -1.271  -2.606
  219    HA   TRP  32           HA       TRP  32   7.544  -3.080  -0.923
  220    HB2  TRP  32           2HB      TRP  32   8.847  -1.412  -3.078
  221    HB3  TRP  32           1HB      TRP  32   9.425  -2.946  -2.436
  222    HD1  TRP  32           HD       TRP  32   6.517  -1.534  -4.543
  223    HE1  TRP  32           1HE      TRP  32   5.612  -3.424  -6.034
  224    HE3  TRP  32           3HE      TRP  32   9.320  -5.403  -2.732
  225    HZ2  TRP  32           2HZ      TRP  32   6.030  -6.192  -6.393
  226    HZ3  TRP  32           3HZ      TRP  32   9.006  -7.642  -3.702
  227    HH2  TRP  32           HH       TRP  32   7.394  -8.023  -5.494
  228    HA   PRO  33           HA       PRO  33   9.406  -0.548   2.187
  229    HB2  PRO  33           2HB      PRO  33  11.562  -2.578   2.190
  230    HB3  PRO  33           1HB      PRO  33  10.533  -2.029   3.517
  231    HG2  PRO  33           2HG      PRO  33  10.185  -4.428   2.384
  232    HG3  PRO  33           1HG      PRO  33   8.811  -3.460   2.949
  233    HD2  PRO  33           2HD      PRO  33   9.803  -3.909   0.166
  234    HD3  PRO  33           1HD      PRO  33   8.137  -3.753   0.767
  235    H    TRP  34           H        TRP  34  11.490  -1.988  -0.265
  236    HA   TRP  34           HA       TRP  34  13.528   0.013  -0.010
  237    HB2  TRP  34           2HB      TRP  34  14.447  -1.178  -2.058
  238    HB3  TRP  34           1HB      TRP  34  14.232  -2.154  -0.620
  239    HD1  TRP  34           HD       TRP  34  11.576  -1.299  -3.338
  240    HE1  TRP  34           1HE      TRP  34  10.633  -3.532  -4.213
  241    HE3  TRP  34           3HE      TRP  34  14.536  -4.474  -0.701
  242    HZ2  TRP  34           2HZ      TRP  34  11.098  -6.295  -3.815
  243    HZ3  TRP  34           3HZ      TRP  34  14.233  -6.907  -0.986
  244    HH2  TRP  34           HH       TRP  34  12.543  -7.791  -2.512
  245    H    ASN  35           H        ASN  35  11.196   1.313  -0.425
  246    HA   ASN  35           HA       ASN  35  11.738   2.715  -2.899
  247    HB2  ASN  35           2HB      ASN  35  10.205   0.950  -3.638
  248    HB3  ASN  35           1HB      ASN  35   9.051   1.414  -2.398
  249   HD21  ASN  35          1HD2      ASN  35  10.689   4.042  -3.840
  250   HD22  ASN  35          2HD2      ASN  35   9.421   4.529  -4.909
  251    H    ALA  36           H        ALA  36  12.105   3.529  -0.312
  252    HA   ALA  36           HA       ALA  36  11.603   5.142   1.220
  253    HB1  ALA  36           1HB      ALA  36  10.964   7.273   0.281
  254    HB2  ALA  36           2HB      ALA  36  10.355   6.489  -1.177
  255    HB3  ALA  36           3HB      ALA  36  12.081   6.466  -0.819
  Start of MODEL    2
    1    H1   LEU   1           1HT      LEU   1   4.489   7.674  -4.887
    2    H2   LEU   1           2HT      LEU   1   3.212   8.392  -4.044
    3    H3   LEU   1           3HT      LEU   1   3.372   8.638  -5.705
    4    HA   LEU   1           HA       LEU   1   2.759   6.497  -6.243
    5    HB2  LEU   1           2HB      LEU   1   2.352   4.826  -4.346
    6    HB3  LEU   1           1HB      LEU   1   4.001   5.158  -4.819
    7    HG   LEU   1           HG       LEU   1   3.631   4.946  -2.356
    8   HD11  LEU   1          2HD1      LEU   1   5.352   6.329  -1.950
    9   HD12  LEU   1          3HD1      LEU   1   4.546   7.725  -2.659
   10   HD13  LEU   1          1HD1      LEU   1   5.347   6.548  -3.698
   11   HD21  LEU   1          1HD2      LEU   1   1.406   6.200  -2.506
   12   HD22  LEU   1          2HD2      LEU   1   2.380   7.667  -2.483
   13   HD23  LEU   1          3HD2      LEU   1   2.456   6.539  -1.132
   14    H    PHE   2           H        PHE   2   0.637   5.514  -6.079
   15    HA   PHE   2           HA       PHE   2  -1.386   7.399  -5.846
   16    HB2  PHE   2           2HB      PHE   2  -1.492   4.391  -5.938
   17    HB3  PHE   2           1HB      PHE   2  -2.938   5.389  -5.945
   18    HD1  PHE   2           2HD      PHE   2   0.352   5.614  -7.728
   19    HD2  PHE   2           1HD      PHE   2  -3.890   5.413  -8.022
   20    HE1  PHE   2           2HE      PHE   2   0.514   5.843 -10.168
   21    HE2  PHE   2           1HE      PHE   2  -3.732   5.638 -10.465
   22    HZ   PHE   2           HZ       PHE   2  -1.529   5.854 -11.541
   23    H    CYS   3           H        CYS   3  -3.219   7.493  -4.499
   24    HA   CYS   3           HA       CYS   3  -4.111   7.957  -2.464
   25    HB2  CYS   3           2HB      CYS   3  -4.492   5.933  -1.062
   26    HB3  CYS   3           1HB      CYS   3  -4.925   5.715  -2.752
   27    H    LYS   4           H        LYS   4  -1.377   8.679  -2.643
   28    HA   LYS   4           HA       LYS   4   0.485   9.124  -1.377
   29    HB2  LYS   4           2HB      LYS   4  -1.724   9.540   0.649
   30    HB3  LYS   4           1HB      LYS   4  -0.078  10.130   0.825
   31    HG2  LYS   4           2HG      LYS   4  -0.373  11.496  -1.197
   32    HG3  LYS   4           1HG      LYS   4  -2.041  10.935  -1.308
   33    HD2  LYS   4           2HD      LYS   4  -1.918  13.137  -0.259
   34    HD3  LYS   4           1HD      LYS   4  -2.528  11.926   0.867
   35    HE2  LYS   4           2HE      LYS   4  -0.447  11.816   2.010
   36    HE3  LYS   4           1HE      LYS   4   0.364  12.759   0.762
   37    HZ1  LYS   4           3HZ      LYS   4  -1.800  13.790   2.510
   38    HZ2  LYS   4           1HZ      LYS   4  -0.896  14.680   1.395
   39    HZ3  LYS   4           2HZ      LYS   4  -0.152  14.046   2.773
   40    H    GLY   5           H        GLY   5  -0.067   6.370  -1.525
   41    HA2  GLY   5           2HA      GLY   5   1.358   5.503   0.847
   42    HA3  GLY   5           1HA      GLY   5  -0.238   4.806   0.635
   43    H    GLY   6           H        GLY   6  -0.464   4.235  -1.953
   44    HA2  GLY   6           2HA      GLY   6   1.318   3.345  -3.639
   45    HA3  GLY   6           1HA      GLY   6   1.658   2.241  -2.316
   46    H    SER   7           H        SER   7   1.005   0.364  -3.193
   47    HA   SER   7           HA       SER   7  -1.363   0.038  -4.715
   48    HB2  SER   7           2HB      SER   7   0.161  -2.098  -3.209
   49    HB3  SER   7           1HB      SER   7  -0.862  -2.314  -4.630
   50    HG   SER   7           HG       SER   7   0.643  -1.207  -5.859
   51    H    CYS   8           H        CYS   8  -3.391   0.089  -3.936
   52    HA   CYS   8           HA       CYS   8  -3.978   0.197  -1.192
   53    HB2  CYS   8           2HB      CYS   8  -5.947  -0.640  -3.320
   54    HB3  CYS   8           1HB      CYS   8  -6.265   0.194  -1.798
   55    H    HIS   9           H        HIS   9  -4.333  -1.345   0.293
   56    HA   HIS   9           HA       HIS   9  -3.562  -3.974  -0.132
   57    HB2  HIS   9           2HB      HIS   9  -4.783  -2.486   2.078
   58    HB3  HIS   9           1HB      HIS   9  -5.125  -4.208   2.093
   59    HD1  HIS   9           1HD      HIS   9  -3.622  -3.774   4.398
   60    HD2  HIS   9           2HD      HIS   9  -1.659  -3.817   0.735
   61    HE1  HIS   9           1HE      HIS   9  -1.208  -4.210   4.932
   62    HE2  HIS   9           2HE      HIS   9  -0.100  -4.469   2.689
   63    H    PHE  10           H        PHE  10  -4.801  -4.504  -2.075
   64    HA   PHE  10           HA       PHE  10  -7.626  -4.984  -1.832
   65    HB2  PHE  10           2HB      PHE  10  -5.545  -5.513  -3.922
   66    HB3  PHE  10           1HB      PHE  10  -7.060  -6.404  -3.995
   67    HD1  PHE  10           2HD      PHE  10  -6.842  -2.939  -2.768
   68    HD2  PHE  10           1HD      PHE  10  -7.786  -5.469  -6.060
   69    HE1  PHE  10           2HE      PHE  10  -7.926  -1.048  -3.909
   70    HE2  PHE  10           1HE      PHE  10  -8.872  -3.581  -7.202
   71    HZ   PHE  10           HZ       PHE  10  -8.944  -1.369  -6.127
   72    H    GLY  11           H        GLY  11  -7.312  -6.147   0.231
   73    HA2  GLY  11           2HA      GLY  11  -7.707  -8.212   1.248
   74    HA3  GLY  11           1HA      GLY  11  -7.250  -9.014  -0.248
   75    H    GLY  12           H        GLY  12  -4.803  -7.409  -0.452
   76    HA2  GLY  12           2HA      GLY  12  -3.170  -7.962   1.831
   77    HA3  GLY  12           1HA      GLY  12  -2.910  -9.116   0.529
   78    H    CYS  13           H        CYS  13  -1.185  -8.606  -0.626
   79    HA   CYS  13           HA       CYS  13  -0.916  -6.044  -1.871
   80    HB2  CYS  13           2HB      CYS  13   0.101  -5.883   0.560
   81    HB3  CYS  13           1HB      CYS  13   1.420  -6.792  -0.160
   82    HA   PRO  14           HA       PRO  14   1.089  -8.414  -4.998
   83    HB2  PRO  14           2HB      PRO  14   3.272  -6.397  -5.000
   84    HB3  PRO  14           1HB      PRO  14   2.248  -6.945  -6.331
   85    HG2  PRO  14           2HG      PRO  14   1.885  -4.555  -5.191
   86    HG3  PRO  14           1HG      PRO  14   0.516  -5.530  -5.753
   87    HD2  PRO  14           2HD      PRO  14   1.498  -5.074  -2.973
   88    HD3  PRO  14           1HD      PRO  14  -0.161  -5.271  -3.570
   89    H    SER  15           H        SER  15   3.154  -7.141  -2.450
   90    HA   SER  15           HA       SER  15   4.454  -9.720  -2.175
   91    HB2  SER  15           2HB      SER  15   6.095  -7.210  -2.605
   92    HB3  SER  15           1HB      SER  15   6.707  -8.847  -2.367
   93    HG   SER  15           HG       SER  15   6.520  -9.125  -4.427
   94    H    HIS  16           H        HIS  16   2.630  -8.522  -0.519
   95    HA   HIS  16           HA       HIS  16   2.245  -7.757   1.598
   96    HB2  HIS  16           2HB      HIS  16   4.851  -9.213   2.085
   97    HB3  HIS  16           1HB      HIS  16   3.709  -8.731   3.332
   98    HD1  HIS  16           1HD      HIS  16   3.989 -11.503   3.633
   99    HD2  HIS  16           2HD      HIS  16   1.659 -10.072   0.505
  100    HE1  HIS  16           1HE      HIS  16   2.504 -13.416   2.967
  101    HE2  HIS  16           2HE      HIS  16   0.955 -12.447   1.235
  102    H    LEU  17           H        LEU  17   3.259  -5.753   0.092
  103    HA   LEU  17           HA       LEU  17   5.568  -4.496   1.108
  104    HB2  LEU  17           2HB      LEU  17   3.229  -3.030  -0.084
  105    HB3  LEU  17           1HB      LEU  17   4.919  -2.607  -0.148
  106    HG   LEU  17           HG       LEU  17   3.694  -4.961  -1.565
  107   HD11  LEU  17          1HD1      LEU  17   2.888  -2.799  -2.422
  108   HD12  LEU  17          2HD1      LEU  17   3.883  -3.671  -3.589
  109   HD13  LEU  17          3HD1      LEU  17   4.562  -2.309  -2.697
  110   HD21  LEU  17          3HD2      LEU  17   6.017  -5.353  -1.093
  111   HD22  LEU  17          1HD2      LEU  17   6.449  -3.742  -1.666
  112   HD23  LEU  17          2HD2      LEU  17   5.851  -4.951  -2.801
  113    H    ILE  18           H        ILE  18   5.751  -2.722   2.565
  114    HA   ILE  18           HA       ILE  18   4.069  -2.917   4.847
  115    HB   ILE  18           HB       ILE  18   5.368  -1.099   5.796
  116   HG12  ILE  18          2HG1      ILE  18   6.702  -0.841   3.089
  117   HG13  ILE  18          1HG1      ILE  18   5.491   0.277   3.706
  118   HG21  ILE  18          1HG2      ILE  18   7.737  -2.112   5.143
  119   HG22  ILE  18          2HG2      ILE  18   6.717  -3.355   4.421
  120   HG23  ILE  18          3HG2      ILE  18   6.579  -2.991   6.140
  121   HD11  ILE  18          3HD1      ILE  18   6.942   0.968   5.472
  122   HD12  ILE  18          1HD1      ILE  18   7.822   1.065   3.948
  123   HD13  ILE  18          2HD1      ILE  18   8.120  -0.276   5.054
  124    H    LYS  19           H        LYS  19   2.483  -1.525   5.621
  125    HA   LYS  19           HA       LYS  19   0.969  -0.126   3.690
  126    HB2  LYS  19           2HB      LYS  19  -0.142  -1.029   5.634
  127    HB3  LYS  19           1HB      LYS  19   0.845  -0.042   6.708
  128    HG2  LYS  19           2HG      LYS  19  -0.167   1.984   5.699
  129    HG3  LYS  19           1HG      LYS  19  -1.220   0.937   4.748
  130    HD2  LYS  19           2HD      LYS  19  -2.098  -0.016   6.853
  131    HD3  LYS  19           1HD      LYS  19  -1.099   1.125   7.750
  132    HE2  LYS  19           2HE      LYS  19  -2.290   2.992   6.786
  133    HE3  LYS  19           1HE      LYS  19  -3.224   1.907   5.760
  134    HZ1  LYS  19           3HZ      LYS  19  -4.582   2.464   7.577
  135    HZ2  LYS  19           1HZ      LYS  19  -3.360   2.168   8.704
  136    HZ3  LYS  19           2HZ      LYS  19  -4.064   0.884   7.864
  137    H    VAL  20           H        VAL  20   1.983   1.513   2.695
  138    HA   VAL  20           HA       VAL  20   3.450   3.487   4.227
  139    HB   VAL  20           HB       VAL  20   3.032   3.071   1.273
  140   HG11  VAL  20          1HG1      VAL  20   3.193   5.399   1.404
  141   HG12  VAL  20          2HG1      VAL  20   4.837   4.866   1.072
  142   HG13  VAL  20          3HG1      VAL  20   4.375   5.335   2.709
  143   HG21  VAL  20          3HG2      VAL  20   4.605   1.532   1.907
  144   HG22  VAL  20          1HG2      VAL  20   5.225   2.540   3.215
  145   HG23  VAL  20          2HG2      VAL  20   5.635   2.916   1.541
  146    H    GLY  21           H        GLY  21   0.278   2.953   3.430
  147    HA2  GLY  21           2HA      GLY  21  -0.576   5.496   4.313
  148    HA3  GLY  21           1HA      GLY  21  -0.686   5.434   2.560
  149    H    SER  22           H        SER  22  -2.979   5.617   2.679
  150    HA   SER  22           HA       SER  22  -4.280   3.050   3.191
  151    HB2  SER  22           2HB      SER  22  -5.549   5.556   4.241
  152    HB3  SER  22           1HB      SER  22  -5.889   3.879   4.663
  153    HG   SER  22           HG       SER  22  -3.507   5.300   5.279
  154    H    CYS  23           H        CYS  23  -5.819   2.575   1.790
  155    HA   CYS  23           HA       CYS  23  -6.488   4.549  -0.282
  156    HB2  CYS  23           2HB      CYS  23  -5.477   2.142  -0.694
  157    HB3  CYS  23           1HB      CYS  23  -7.143   1.630  -0.465
  158    H    PHE  24           H        PHE  24  -7.770   2.266   2.007
  159    HA   PHE  24           HA       PHE  24 -10.203   3.670   2.386
  160    HB2  PHE  24           2HB      PHE  24 -10.549   2.323   0.194
  161    HB3  PHE  24           1HB      PHE  24 -10.538   0.900   1.227
  162    HD1  PHE  24           1HD      PHE  24 -12.110   4.287   1.396
  163    HD2  PHE  24           2HD      PHE  24 -12.634   0.069   1.606
  164    HE1  PHE  24           1HE      PHE  24 -14.507   4.611   1.840
  165    HE2  PHE  24           2HE      PHE  24 -15.033   0.387   2.049
  166    HZ   PHE  24           HZ       PHE  24 -15.971   2.658   2.166
  167    H    GLY  25           H        GLY  25 -11.469   2.578   4.129
  168    HA2  GLY  25           2HA      GLY  25 -10.031   1.861   6.296
  169    HA3  GLY  25           1HA      GLY  25 -11.652   1.247   6.017
  170    H    PHE  26           H        PHE  26 -11.307  -0.456   3.931
  171    HA   PHE  26           HA       PHE  26  -9.599  -2.532   5.112
  172    HB2  PHE  26           2HB      PHE  26 -12.029  -3.018   4.953
  173    HB3  PHE  26           1HB      PHE  26 -11.936  -2.822   3.208
  174    HD1  PHE  26           2HD      PHE  26  -9.668  -4.590   5.581
  175    HD2  PHE  26           1HD      PHE  26 -12.347  -4.897   2.286
  176    HE1  PHE  26           2HE      PHE  26  -9.108  -6.973   5.351
  177    HE2  PHE  26           1HE      PHE  26 -11.792  -7.282   2.054
  178    HZ   PHE  26           HZ       PHE  26 -10.169  -8.322   3.587
  179    H    ARG  27           H        ARG  27  -8.392  -0.553   3.549
  180    HA   ARG  27           HA       ARG  27  -7.166  -2.191   1.521
  181    HB2  ARG  27           2HB      ARG  27  -8.565   0.356   0.695
  182    HB3  ARG  27           1HB      ARG  27  -7.499  -0.598  -0.318
  183    HG2  ARG  27           2HG      ARG  27  -9.111  -2.499  -0.000
  184    HG3  ARG  27           1HG      ARG  27 -10.224  -1.310   0.685
  185    HD2  ARG  27           2HD      ARG  27  -9.766   0.039  -1.450
  186    HD3  ARG  27           1HD      ARG  27  -9.100  -1.459  -2.093
  187    HE   ARG  27           HE       ARG  27 -11.789  -0.782  -1.984
  188   HH11  ARG  27          1HH1      ARG  27  -9.762  -3.513  -1.153
  189   HH12  ARG  27          2HH1      ARG  27 -11.008  -4.679  -1.421
  190   HH21  ARG  27          1HH2      ARG  27 -13.420  -2.321  -2.358
  191   HH22  ARG  27          2HH2      ARG  27 -13.089  -4.006  -2.114
  192    H    SER  28           H        SER  28  -5.817  -1.456   3.589
  193    HA   SER  28           HA       SER  28  -4.680   1.109   3.629
  194    HB2  SER  28           2HB      SER  28  -3.462  -1.518   4.507
  195    HB3  SER  28           1HB      SER  28  -2.948   0.084   5.019
  196    HG   SER  28           HG       SER  28  -4.863  -1.451   6.052
  197    H    CYS  29           H        CYS  29  -3.333   2.046   2.192
  198    HA   CYS  29           HA       CYS  29  -2.349   0.671  -0.065
  199    HB2  CYS  29           2HB      CYS  29  -1.640   3.411   0.999
  200    HB3  CYS  29           1HB      CYS  29  -1.226   2.803  -0.602
  201    H    CYS  30           H        CYS  30  -0.663  -0.568  -0.214
  202    HA   CYS  30           HA       CYS  30   1.503  -0.349   1.746
  203    HB2  CYS  30           2HB      CYS  30   1.945  -2.737   1.099
  204    HB3  CYS  30           1HB      CYS  30   0.409  -2.461   1.898
  205    H    LYS  31           H        LYS  31   3.601  -0.218   1.095
  206    HA   LYS  31           HA       LYS  31   4.233  -0.314  -1.751
  207    HB2  LYS  31           2HB      LYS  31   3.742   2.048  -1.315
  208    HB3  LYS  31           1HB      LYS  31   4.863   2.047   0.026
  209    HG2  LYS  31           2HG      LYS  31   5.903   3.105  -1.834
  210    HG3  LYS  31           1HG      LYS  31   6.691   1.558  -1.564
  211    HD2  LYS  31           2HD      LYS  31   6.341   1.890  -3.927
  212    HD3  LYS  31           1HD      LYS  31   5.310   0.574  -3.354
  213    HE2  LYS  31           2HE      LYS  31   3.437   2.125  -3.190
  214    HE3  LYS  31           1HE      LYS  31   4.465   3.427  -3.769
  215    HZ1  LYS  31           3HZ      LYS  31   3.689   0.993  -5.285
  216    HZ2  LYS  31           1HZ      LYS  31   4.766   2.168  -5.841
  217    HZ3  LYS  31           2HZ      LYS  31   3.150   2.566  -5.575
  218    H    TRP  32           H        TRP  32   6.500  -0.549  -2.143
  219    HA   TRP  32           HA       TRP  32   7.749  -2.416  -0.571
  220    HB2  TRP  32           2HB      TRP  32   9.168  -0.399  -2.323
  221    HB3  TRP  32           1HB      TRP  32   9.782  -1.972  -1.822
  222    HD1  TRP  32           HD       TRP  32   6.936  -0.494  -3.987
  223    HE1  TRP  32           1HE      TRP  32   6.371  -2.184  -5.840
  224    HE3  TRP  32           3HE      TRP  32  10.023  -4.312  -2.561
  225    HZ2  TRP  32           2HZ      TRP  32   7.136  -4.793  -6.596
  226    HZ3  TRP  32           3HZ      TRP  32  10.042  -6.373  -3.904
  227    HH2  TRP  32           HH       TRP  32   8.628  -6.607  -5.879
  228    HA   PRO  33           HA       PRO  33   9.139  -0.524   3.163
  229    HB2  PRO  33           2HB      PRO  33  11.648  -2.032   2.555
  230    HB3  PRO  33           1HB      PRO  33  10.723  -1.949   4.058
  231    HG2  PRO  33           2HG      PRO  33  10.551  -4.081   2.467
  232    HG3  PRO  33           1HG      PRO  33   9.127  -3.455   3.317
  233    HD2  PRO  33           2HD      PRO  33   9.846  -3.269   0.440
  234    HD3  PRO  33           1HD      PRO  33   8.247  -3.321   1.207
  235    H    TRP  34           H        TRP  34  10.907  -0.382   0.193
  236    HA   TRP  34           HA       TRP  34  13.063   1.215   0.760
  237    HB2  TRP  34           2HB      TRP  34  11.416   1.845  -1.663
  238    HB3  TRP  34           1HB      TRP  34  13.162   1.706  -1.501
  239    HD1  TRP  34           HD       TRP  34  11.395   0.186  -3.752
  240    HE1  TRP  34           1HE      TRP  34  11.567  -2.376  -3.920
  241    HE3  TRP  34           3HE      TRP  34  13.230  -0.811   0.910
  242    HZ2  TRP  34           2HZ      TRP  34  12.375  -4.530  -2.291
  243    HZ3  TRP  34           3HZ      TRP  34  13.674  -3.152   1.528
  244    HH2  TRP  34           HH       TRP  34  13.257  -4.973  -0.043
  245    H    ASN  35           H        ASN  35   9.719   2.175   0.170
  246    HA   ASN  35           HA       ASN  35  10.134   4.966   0.422
  247    HB2  ASN  35           2HB      ASN  35   7.638   3.294   0.781
  248    HB3  ASN  35           1HB      ASN  35   7.655   5.053   0.723
  249   HD21  ASN  35          1HD2      ASN  35   6.973   5.756  -1.153
  250   HD22  ASN  35          2HD2      ASN  35   7.317   5.057  -2.698
  251    H    ALA  36           H        ALA  36   9.060   2.477   2.684
  252    HA   ALA  36           HA       ALA  36   9.190   2.336   4.949
  253    HB1  ALA  36           1HB      ALA  36  10.732   3.579   6.144
  254    HB2  ALA  36           2HB      ALA  36  10.512   5.012   5.141
  255    HB3  ALA  36           3HB      ALA  36  11.395   3.622   4.510
  Start of MODEL    3
    1    H1   LEU   1           1HT      LEU   1   8.331   6.344   1.142
    2    H2   LEU   1           2HT      LEU   1   7.416   4.922   1.117
    3    H3   LEU   1           3HT      LEU   1   6.817   6.295   1.891
    4    HA   LEU   1           HA       LEU   1   7.327   7.179  -0.614
    5    HB2  LEU   1           2HB      LEU   1   5.949   4.494  -0.761
    6    HB3  LEU   1           1HB      LEU   1   6.290   5.574  -2.100
    7    HG   LEU   1           HG       LEU   1   8.195   3.844  -0.552
    8   HD11  LEU   1          2HD1      LEU   1   8.862   3.637  -3.154
    9   HD12  LEU   1          3HD1      LEU   1   7.138   3.978  -3.293
   10   HD13  LEU   1          1HD1      LEU   1   7.691   2.596  -2.347
   11   HD21  LEU   1          1HD2      LEU   1   8.825   6.320  -2.129
   12   HD22  LEU   1          2HD2      LEU   1   9.986   5.002  -1.973
   13   HD23  LEU   1          3HD2      LEU   1   9.408   5.842  -0.535
   14    H    PHE   2           H        PHE   2   5.592   8.368  -1.260
   15    HA   PHE   2           HA       PHE   2   3.479   8.723   0.633
   16    HB2  PHE   2           2HB      PHE   2   3.963   9.980  -2.074
   17    HB3  PHE   2           1HB      PHE   2   2.713  10.490  -0.945
   18    HD1  PHE   2           2HD      PHE   2   6.369   9.711  -0.657
   19    HD2  PHE   2           1HD      PHE   2   3.215  12.476   0.061
   20    HE1  PHE   2           2HE      PHE   2   7.960  11.237   0.416
   21    HE2  PHE   2           1HE      PHE   2   4.808  14.012   1.131
   22    HZ   PHE   2           HZ       PHE   2   7.183  13.392   1.313
   23    H    CYS   3           H        CYS   3   3.113   6.214  -0.013
   24    HA   CYS   3           HA       CYS   3   1.515   4.727  -0.635
   25    HB2  CYS   3           2HB      CYS   3  -0.114   6.509  -0.060
   26    HB3  CYS   3           1HB      CYS   3  -0.006   7.114  -1.709
   27    H    LYS   4           H        LYS   4   2.557   7.091  -2.949
   28    HA   LYS   4           HA       LYS   4   1.843   5.738  -5.319
   29    HB2  LYS   4           2HB      LYS   4   2.307   8.100  -5.334
   30    HB3  LYS   4           1HB      LYS   4   3.925   7.835  -4.707
   31    HG2  LYS   4           2HG      LYS   4   4.465   6.622  -6.821
   32    HG3  LYS   4           1HG      LYS   4   2.887   7.118  -7.438
   33    HD2  LYS   4           2HD      LYS   4   4.600   8.642  -8.222
   34    HD3  LYS   4           1HD      LYS   4   3.524   9.474  -7.098
   35    HE2  LYS   4           2HE      LYS   4   5.157   9.207  -5.310
   36    HE3  LYS   4           1HE      LYS   4   6.216   8.306  -6.391
   37    HZ1  LYS   4           3HZ      LYS   4   5.481  10.859  -7.445
   38    HZ2  LYS   4           1HZ      LYS   4   7.012  10.175  -7.245
   39    HZ3  LYS   4           2HZ      LYS   4   6.276  10.987  -5.962
   40    H    GLY   5           H        GLY   5   3.216   4.665  -6.815
   41    HA2  GLY   5           2HA      GLY   5   5.034   3.428  -7.519
   42    HA3  GLY   5           1HA      GLY   5   5.855   3.820  -6.021
   43    H    GLY   6           H        GLY   6   2.767   2.141  -6.641
   44    HA2  GLY   6           2HA      GLY   6   3.661  -0.455  -6.276
   45    HA3  GLY   6           1HA      GLY   6   3.308   0.162  -4.673
   46    H    SER   7           H        SER   7   1.426  -0.655  -4.027
   47    HA   SER   7           HA       SER   7  -0.938  -0.202  -5.647
   48    HB2  SER   7           2HB      SER   7  -0.084  -2.423  -6.382
   49    HB3  SER   7           1HB      SER   7  -0.198  -2.986  -4.717
   50    HG   SER   7           HG       SER   7  -2.356  -2.057  -6.318
   51    H    CYS   8           H        CYS   8  -2.931  -0.736  -4.408
   52    HA   CYS   8           HA       CYS   8  -2.554  -0.019  -1.603
   53    HB2  CYS   8           2HB      CYS   8  -5.187  -0.248  -3.050
   54    HB3  CYS   8           1HB      CYS   8  -4.825   0.659  -1.590
   55    H    HIS   9           H        HIS   9  -3.574  -1.193   0.086
   56    HA   HIS   9           HA       HIS   9  -3.395  -3.998  -0.222
   57    HB2  HIS   9           2HB      HIS   9  -3.865  -2.142   2.006
   58    HB3  HIS   9           1HB      HIS   9  -4.601  -3.721   2.199
   59    HD1  HIS   9           1HD      HIS   9  -2.848  -5.788   1.848
   60    HD2  HIS   9           2HD      HIS   9  -1.230  -2.062   2.702
   61    HE1  HIS   9           1HE      HIS   9  -0.531  -6.241   2.707
   62    HE2  HIS   9           2HE      HIS   9   0.343  -3.989   3.413
   63    H    PHE  10           H        PHE  10  -5.093  -3.878  -2.054
   64    HA   PHE  10           HA       PHE  10  -7.849  -3.792  -1.287
   65    HB2  PHE  10           2HB      PHE  10  -6.412  -4.800  -3.741
   66    HB3  PHE  10           1HB      PHE  10  -8.141  -5.036  -3.533
   67    HD1  PHE  10           2HD      PHE  10  -5.494  -2.499  -3.944
   68    HD2  PHE  10           1HD      PHE  10  -9.674  -3.281  -3.886
   69    HE1  PHE  10           2HE      PHE  10  -5.924  -0.276  -4.910
   70    HE2  PHE  10           1HE      PHE  10 -10.106  -1.067  -4.856
   71    HZ   PHE  10           HZ       PHE  10  -8.231   0.442  -5.366
   72    H    GLY  11           H        GLY  11  -7.314  -5.199   0.652
   73    HA2  GLY  11           2HA      GLY  11  -7.933  -7.203   1.663
   74    HA3  GLY  11           1HA      GLY  11  -8.108  -7.930   0.067
   75    H    GLY  12           H        GLY  12  -5.669  -7.401  -1.041
   76    HA2  GLY  12           2HA      GLY  12  -3.768  -8.796   0.741
   77    HA3  GLY  12           1HA      GLY  12  -3.941  -9.206  -0.961
   78    H    CYS  13           H        CYS  13  -2.040  -8.614  -1.832
   79    HA   CYS  13           HA       CYS  13  -1.459  -6.056  -2.570
   80    HB2  CYS  13           2HB      CYS  13  -0.342  -6.677   0.122
   81    HB3  CYS  13           1HB      CYS  13   0.680  -5.789  -1.002
   82    HA   PRO  14           HA       PRO  14   1.372  -7.946  -5.321
   83    HB2  PRO  14           2HB      PRO  14   3.338  -5.910  -4.344
   84    HB3  PRO  14           1HB      PRO  14   2.939  -6.378  -6.001
   85    HG2  PRO  14           2HG      PRO  14   1.957  -4.137  -4.950
   86    HG3  PRO  14           1HG      PRO  14   0.970  -5.153  -6.015
   87    HD2  PRO  14           2HD      PRO  14   0.810  -4.778  -3.077
   88    HD3  PRO  14           1HD      PRO  14  -0.467  -5.193  -4.237
   89    H    SER  15           H        SER  15   2.553  -7.182  -2.095
   90    HA   SER  15           HA       SER  15   3.533  -9.773  -1.612
   91    HB2  SER  15           2HB      SER  15   5.308  -9.177  -3.176
   92    HB3  SER  15           1HB      SER  15   5.634  -7.694  -2.283
   93    HG   SER  15           HG       SER  15   6.493  -8.847  -0.633
   94    H    HIS  16           H        HIS  16   1.884  -8.211  -0.165
   95    HA   HIS  16           HA       HIS  16   1.474  -7.431   1.928
   96    HB2  HIS  16           2HB      HIS  16   4.230  -8.574   2.427
   97    HB3  HIS  16           1HB      HIS  16   3.216  -7.902   3.696
   98    HD1  HIS  16           1HD      HIS  16   0.690  -9.109   3.716
   99    HD2  HIS  16           2HD      HIS  16   3.912 -11.236   2.185
  100    HE1  HIS  16           1HE      HIS  16  -0.028 -11.515   3.722
  101    HE2  HIS  16           2HE      HIS  16   2.008 -12.794   2.979
  102    H    LEU  17           H        LEU  17   4.954  -6.798   1.628
  103    HA   LEU  17           HA       LEU  17   6.161  -4.885   1.575
  104    HB2  LEU  17           2HB      LEU  17   3.643  -3.369   0.974
  105    HB3  LEU  17           1HB      LEU  17   5.279  -3.012   0.470
  106    HG   LEU  17           HG       LEU  17   3.700  -5.381  -0.528
  107   HD11  LEU  17          1HD1      LEU  17   2.602  -3.392  -1.285
  108   HD12  LEU  17          2HD1      LEU  17   3.512  -4.085  -2.628
  109   HD13  LEU  17          3HD1      LEU  17   4.140  -2.677  -1.772
  110   HD21  LEU  17          3HD2      LEU  17   6.110  -5.690  -0.627
  111   HD22  LEU  17          1HD2      LEU  17   6.286  -4.147  -1.464
  112   HD23  LEU  17          2HD2      LEU  17   5.440  -5.482  -2.245
  113    H    ILE  18           H        ILE  18   4.520  -2.300   2.261
  114    HA   ILE  18           HA       ILE  18   4.112  -2.697   5.109
  115    HB   ILE  18           HB       ILE  18   6.470  -2.187   5.022
  116   HG12  ILE  18          2HG1      ILE  18   4.830  -1.004   6.690
  117   HG13  ILE  18          1HG1      ILE  18   6.523  -0.531   6.636
  118   HG21  ILE  18          1HG2      ILE  18   5.631   0.047   3.223
  119   HG22  ILE  18          2HG2      ILE  18   6.860  -1.190   2.973
  120   HG23  ILE  18          3HG2      ILE  18   7.147   0.119   4.119
  121   HD11  ILE  18          3HD1      ILE  18   4.711   0.958   4.857
  122   HD12  ILE  18          1HD1      ILE  18   6.059   1.517   5.845
  123   HD13  ILE  18          2HD1      ILE  18   4.491   1.205   6.588
  124    H    LYS  19           H        LYS  19   2.629  -1.303   5.957
  125    HA   LYS  19           HA       LYS  19   0.866  -0.025   4.204
  126    HB2  LYS  19           2HB      LYS  19   0.104  -0.846   6.345
  127    HB3  LYS  19           1HB      LYS  19   1.154   0.279   7.194
  128    HG2  LYS  19           2HG      LYS  19  -0.132   2.158   6.371
  129    HG3  LYS  19           1HG      LYS  19  -1.137   1.080   5.410
  130    HD2  LYS  19           2HD      LYS  19  -1.996   0.034   7.414
  131    HD3  LYS  19           1HD      LYS  19  -0.906   0.993   8.414
  132    HE2  LYS  19           2HE      LYS  19  -3.110   1.959   8.500
  133    HE3  LYS  19           1HE      LYS  19  -2.036   3.042   7.617
  134    HZ1  LYS  19           3HZ      LYS  19  -3.884   1.122   6.316
  135    HZ2  LYS  19           1HZ      LYS  19  -2.979   2.337   5.562
  136    HZ3  LYS  19           2HZ      LYS  19  -4.253   2.747   6.591
  137    H    VAL  20           H        VAL  20   2.283   1.298   2.970
  138    HA   VAL  20           HA       VAL  20   3.532   3.601   4.146
  139    HB   VAL  20           HB       VAL  20   3.975   4.285   1.818
  140   HG11  VAL  20          1HG1      VAL  20   5.660   2.773   1.491
  141   HG12  VAL  20          2HG1      VAL  20   4.634   1.384   1.852
  142   HG13  VAL  20          3HG1      VAL  20   5.241   2.396   3.162
  143   HG21  VAL  20          3HG2      VAL  20   3.066   3.291  -0.023
  144   HG22  VAL  20          1HG2      VAL  20   1.737   3.085   1.112
  145   HG23  VAL  20          2HG2      VAL  20   2.829   1.745   0.791
  146    H    GLY  21           H        GLY  21   0.872   3.499   4.899
  147    HA2  GLY  21           2HA      GLY  21  -0.515   5.449   5.205
  148    HA3  GLY  21           1HA      GLY  21  -0.217   5.866   3.525
  149    H    SER  22           H        SER  22  -2.312   5.910   2.802
  150    HA   SER  22           HA       SER  22  -3.553   3.377   2.283
  151    HB2  SER  22           2HB      SER  22  -5.146   5.326   3.940
  152    HB3  SER  22           1HB      SER  22  -5.597   3.689   3.474
  153    HG   SER  22           HG       SER  22  -3.899   4.575   5.486
  154    H    CYS  23           H        CYS  23  -4.902   3.441   0.585
  155    HA   CYS  23           HA       CYS  23  -4.981   5.875  -0.985
  156    HB2  CYS  23           2HB      CYS  23  -6.126   3.136  -1.618
  157    HB3  CYS  23           1HB      CYS  23  -5.815   4.441  -2.759
  158    H    PHE  24           H        PHE  24  -7.604   4.805  -2.199
  159    HA   PHE  24           HA       PHE  24  -9.355   6.461  -0.703
  160    HB2  PHE  24           2HB      PHE  24  -9.694   6.064  -3.103
  161    HB3  PHE  24           1HB      PHE  24  -9.974   4.356  -2.797
  162    HD1  PHE  24           2HD      PHE  24 -11.294   7.207  -0.824
  163    HD2  PHE  24           1HD      PHE  24 -12.155   4.113  -3.618
  164    HE1  PHE  24           2HE      PHE  24 -13.700   7.656  -0.577
  165    HE2  PHE  24           1HE      PHE  24 -14.560   4.558  -3.375
  166    HZ   PHE  24           HZ       PHE  24 -15.336   6.330  -1.852
  167    H    GLY  25           H        GLY  25 -10.638   5.970   0.990
  168    HA2  GLY  25           2HA      GLY  25 -11.721   4.730   2.605
  169    HA3  GLY  25           1HA      GLY  25 -11.530   3.314   1.578
  170    H    PHE  26           H        PHE  26 -11.002   2.116   3.532
  171    HA   PHE  26           HA       PHE  26  -8.619   2.827   4.968
  172    HB2  PHE  26           2HB      PHE  26 -10.463   0.451   5.116
  173    HB3  PHE  26           1HB      PHE  26  -9.013   0.587   6.100
  174    HD1  PHE  26           2HD      PHE  26 -11.809   2.905   5.181
  175    HD2  PHE  26           1HD      PHE  26  -9.477   1.125   8.266
  176    HE1  PHE  26           2HE      PHE  26 -13.072   4.173   6.865
  177    HE2  PHE  26           1HE      PHE  26 -10.740   2.390   9.954
  178    HZ   PHE  26           HZ       PHE  26 -12.539   3.919   9.255
  179    H    ARG  27           H        ARG  27  -8.691   1.973   1.993
  180    HA   ARG  27           HA       ARG  27  -7.259  -0.449   1.793
  181    HB2  ARG  27           2HB      ARG  27  -7.393   1.886  -0.116
  182    HB3  ARG  27           1HB      ARG  27  -6.652   0.338  -0.491
  183    HG2  ARG  27           2HG      ARG  27  -8.880  -0.706   0.020
  184    HG3  ARG  27           1HG      ARG  27  -9.542   0.927   0.025
  185    HD2  ARG  27           2HD      ARG  27  -8.444   1.173  -2.274
  186    HD3  ARG  27           1HD      ARG  27  -8.271  -0.581  -2.236
  187    HE   ARG  27           HE       ARG  27 -10.615   0.865  -2.837
  188   HH11  ARG  27          1HH1      ARG  27  -9.573  -2.009  -1.115
  189   HH12  ARG  27          2HH1      ARG  27 -11.099  -2.807  -1.281
  190   HH21  ARG  27          1HH2      ARG  27 -12.618  -0.180  -3.031
  191   HH22  ARG  27          2HH2      ARG  27 -12.836  -1.763  -2.357
  192    H    SER  28           H        SER  28  -5.669  -0.291   3.418
  193    HA   SER  28           HA       SER  28  -3.737   1.622   3.762
  194    HB2  SER  28           2HB      SER  28  -3.358  -1.375   3.947
  195    HB3  SER  28           1HB      SER  28  -2.374  -0.155   4.750
  196    HG   SER  28           HG       SER  28  -4.844  -1.153   5.419
  197    H    CYS  29           H        CYS  29  -2.142   2.402   2.522
  198    HA   CYS  29           HA       CYS  29  -1.623   1.327  -0.070
  199    HB2  CYS  29           2HB      CYS  29  -0.168   3.463   1.507
  200    HB3  CYS  29           1HB      CYS  29   0.099   3.110  -0.196
  201    H    CYS  30           H        CYS  30  -0.187  -0.256  -0.577
  202    HA   CYS  30           HA       CYS  30   1.869  -0.853   1.443
  203    HB2  CYS  30           2HB      CYS  30   1.852  -3.176   0.497
  204    HB3  CYS  30           1HB      CYS  30   0.388  -2.704   1.329
  205    H    LYS  31           H        LYS  31   3.772  -0.203   0.874
  206    HA   LYS  31           HA       LYS  31   4.648  -0.514  -1.923
  207    HB2  LYS  31           2HB      LYS  31   4.497   1.911  -0.368
  208    HB3  LYS  31           1HB      LYS  31   6.181   1.550  -0.703
  209    HG2  LYS  31           2HG      LYS  31   5.702   2.783  -2.535
  210    HG3  LYS  31           1HG      LYS  31   5.243   1.202  -3.148
  211    HD2  LYS  31           2HD      LYS  31   3.408   3.323  -2.042
  212    HD3  LYS  31           1HD      LYS  31   3.556   2.830  -3.726
  213    HE2  LYS  31           2HE      LYS  31   2.887   0.510  -2.910
  214    HE3  LYS  31           1HE      LYS  31   2.393   1.314  -1.422
  215    HZ1  LYS  31           3HZ      LYS  31   0.593   0.994  -3.093
  216    HZ2  LYS  31           1HZ      LYS  31   1.394   2.093  -4.099
  217    HZ3  LYS  31           2HZ      LYS  31   0.808   2.593  -2.599
  218    H    TRP  32           H        TRP  32   6.821  -1.204  -2.156
  219    HA   TRP  32           HA       TRP  32   7.785  -3.074  -0.469
  220    HB2  TRP  32           2HB      TRP  32   9.516  -1.139  -2.018
  221    HB3  TRP  32           1HB      TRP  32  10.034  -2.702  -1.390
  222    HD1  TRP  32           HD       TRP  32   8.568  -1.158  -4.422
  223    HE1  TRP  32           1HE      TRP  32   7.806  -2.977  -6.078
  224    HE3  TRP  32           3HE      TRP  32   8.865  -5.226  -1.345
  225    HZ2  TRP  32           2HZ      TRP  32   7.384  -5.769  -6.074
  226    HZ3  TRP  32           3HZ      TRP  32   8.260  -7.434  -2.245
  227    HH2  TRP  32           HH       TRP  32   7.535  -7.697  -4.561
  228    HA   PRO  33           HA       PRO  33   8.844  -0.973   3.279
  229    HB2  PRO  33           2HB      PRO  33  10.664  -3.211   3.822
  230    HB3  PRO  33           1HB      PRO  33   9.250  -2.675   4.723
  231    HG2  PRO  33           2HG      PRO  33   9.246  -4.946   3.275
  232    HG3  PRO  33           1HG      PRO  33   7.799  -3.942   3.470
  233    HD2  PRO  33           2HD      PRO  33   9.653  -4.164   1.138
  234    HD3  PRO  33           1HD      PRO  33   7.891  -3.975   1.167
  235    H    TRP  34           H        TRP  34  10.556  -0.798   0.693
  236    HA   TRP  34           HA       TRP  34  13.231  -0.423   1.682
  237    HB2  TRP  34           2HB      TRP  34  11.859  -0.040  -0.954
  238    HB3  TRP  34           1HB      TRP  34  13.371   0.804  -0.667
  239    HD1  TRP  34           HD       TRP  34  15.185  -0.442  -1.873
  240    HE1  TRP  34           1HE      TRP  34  15.907  -2.895  -2.147
  241    HE3  TRP  34           3HE      TRP  34  11.365  -2.705   0.666
  242    HZ2  TRP  34           2HZ      TRP  34  14.981  -5.443  -1.391
  243    HZ3  TRP  34           3HZ      TRP  34  11.362  -5.158   0.837
  244    HH2  TRP  34           HH       TRP  34  13.129  -6.494  -0.173
  245    H    ASN  35           H        ASN  35  11.364   0.901   3.172
  246    HA   ASN  35           HA       ASN  35  12.384   3.516   3.292
  247    HB2  ASN  35           2HB      ASN  35  10.753   3.715   1.358
  248    HB3  ASN  35           1HB      ASN  35   9.470   3.311   2.492
  249   HD21  ASN  35          1HD2      ASN  35  11.043   5.783   1.023
  250   HD22  ASN  35          2HD2      ASN  35  10.662   7.064   2.121
  251    H    ALA  36           H        ALA  36  12.543   3.617   5.422
  252    HA   ALA  36           HA       ALA  36  12.089   3.482   7.645
  253    HB1  ALA  36           1HB      ALA  36   9.833   3.874   8.389
  254    HB2  ALA  36           2HB      ALA  36   9.188   3.412   6.814
  255    HB3  ALA  36           3HB      ALA  36  10.144   4.883   6.976
  Start of MODEL    4
    1    H1   LEU   1           1HT      LEU   1   3.926   1.830  -7.899
    2    H2   LEU   1           2HT      LEU   1   4.116   3.171  -6.892
    3    H3   LEU   1           3HT      LEU   1   3.286   3.324  -8.354
    4    HA   LEU   1           HA       LEU   1   1.791   1.466  -7.315
    5    HB2  LEU   1           2HB      LEU   1   3.091   2.911  -5.021
    6    HB3  LEU   1           1HB      LEU   1   1.514   2.171  -4.873
    7    HG   LEU   1           HG       LEU   1   3.226   0.737  -3.937
    8   HD11  LEU   1          2HD1      LEU   1   2.478  -1.252  -4.842
    9   HD12  LEU   1          3HD1      LEU   1   2.438  -0.617  -6.487
   10   HD13  LEU   1          1HD1      LEU   1   1.206  -0.130  -5.321
   11   HD21  LEU   1          1HD2      LEU   1   5.033   1.605  -5.496
   12   HD22  LEU   1          2HD2      LEU   1   4.416   0.457  -6.685
   13   HD23  LEU   1          3HD2      LEU   1   5.051  -0.123  -5.146
   14    H    PHE   2           H        PHE   2  -0.314   2.185  -7.037
   15    HA   PHE   2           HA       PHE   2  -0.876   4.771  -8.056
   16    HB2  PHE   2           2HB      PHE   2  -2.601   2.559  -6.979
   17    HB3  PHE   2           1HB      PHE   2  -3.280   4.096  -7.494
   18    HD1  PHE   2           1HD      PHE   2  -0.487   2.215  -9.077
   19    HD2  PHE   2           2HD      PHE   2  -4.540   3.486  -9.350
   20    HE1  PHE   2           1HE      PHE   2  -0.580   1.408 -11.396
   21    HE2  PHE   2           2HE      PHE   2  -4.639   2.676 -11.667
   22    HZ   PHE   2           HZ       PHE   2  -2.658   1.636 -12.695
   23    H    CYS   3           H        CYS   3  -2.884   3.819  -5.456
   24    HA   CYS   3           HA       CYS   3  -3.260   6.165  -4.247
   25    HB2  CYS   3           2HB      CYS   3  -4.535   4.431  -3.393
   26    HB3  CYS   3           1HB      CYS   3  -3.142   3.411  -3.084
   27    H    LYS   4           H        LYS   4  -1.895   7.674  -3.710
   28    HA   LYS   4           HA       LYS   4   0.073   8.685  -3.082
   29    HB2  LYS   4           2HB      LYS   4  -1.488   8.543  -1.104
   30    HB3  LYS   4           1HB      LYS   4  -0.537   7.174  -0.546
   31    HG2  LYS   4           2HG      LYS   4   1.405   8.542  -0.279
   32    HG3  LYS   4           1HG      LYS   4   0.610   9.909  -1.060
   33    HD2  LYS   4           2HD      LYS   4   0.636  10.212   1.348
   34    HD3  LYS   4           1HD      LYS   4  -1.018   9.992   0.779
   35    HE2  LYS   4           2HE      LYS   4  -0.608   8.733   2.830
   36    HE3  LYS   4           1HE      LYS   4  -0.959   7.657   1.479
   37    HZ1  LYS   4           3HZ      LYS   4   1.774   8.300   2.429
   38    HZ2  LYS   4           1HZ      LYS   4   1.351   7.154   1.264
   39    HZ3  LYS   4           2HZ      LYS   4   0.914   6.921   2.875
   40    H    GLY   5           H        GLY   5   0.752   6.435  -4.515
   41    HA2  GLY   5           2HA      GLY   5   2.667   5.249  -4.978
   42    HA3  GLY   5           1HA      GLY   5   3.405   5.991  -3.567
   43    H    GLY   6           H        GLY   6   0.508   3.999  -3.752
   44    HA2  GLY   6           2HA      GLY   6   1.774   1.623  -2.776
   45    HA3  GLY   6           1HA      GLY   6   0.892   2.473  -1.516
   46    H    SER   7           H        SER   7   0.514  -0.110  -3.243
   47    HA   SER   7           HA       SER   7  -1.999   0.370  -4.541
   48    HB2  SER   7           2HB      SER   7  -2.010  -2.215  -4.593
   49    HB3  SER   7           1HB      SER   7  -0.748  -1.380  -5.495
   50    HG   SER   7           HG       SER   7  -0.333  -2.210  -2.827
   51    H    CYS   8           H        CYS   8  -3.942   0.439  -3.606
   52    HA   CYS   8           HA       CYS   8  -4.338   0.290  -0.865
   53    HB2  CYS   8           2HB      CYS   8  -6.366  -0.042  -3.079
   54    HB3  CYS   8           1HB      CYS   8  -6.749   0.264  -1.390
   55    H    HIS   9           H        HIS   9  -4.627  -1.258   0.542
   56    HA   HIS   9           HA       HIS   9  -3.970  -3.871   0.064
   57    HB2  HIS   9           2HB      HIS   9  -5.080  -2.386   2.314
   58    HB3  HIS   9           1HB      HIS   9  -5.572  -4.072   2.304
   59    HD1  HIS   9           1HD      HIS   9  -4.027  -3.934   4.569
   60    HD2  HIS   9           2HD      HIS   9  -2.076  -3.846   0.903
   61    HE1  HIS   9           1HE      HIS   9  -1.639  -4.526   5.067
   62    HE2  HIS   9           2HE      HIS   9  -0.546  -4.688   2.807
   63    H    PHE  10           H        PHE  10  -5.086  -4.630  -1.741
   64    HA   PHE  10           HA       PHE  10  -7.947  -5.005  -1.639
   65    HB2  PHE  10           2HB      PHE  10  -5.767  -5.769  -3.566
   66    HB3  PHE  10           1HB      PHE  10  -7.352  -6.522  -3.693
   67    HD1  PHE  10           2HD      PHE  10  -7.176  -3.073  -2.546
   68    HD2  PHE  10           1HD      PHE  10  -7.562  -5.606  -5.944
   69    HE1  PHE  10           2HE      PHE  10  -7.989  -1.168  -3.869
   70    HE2  PHE  10           1HE      PHE  10  -8.379  -3.706  -7.270
   71    HZ   PHE  10           HZ       PHE  10  -8.593  -1.483  -6.235
   72    H    GLY  11           H        GLY  11  -7.144  -6.032   0.644
   73    HA2  GLY  11           2HA      GLY  11  -7.380  -7.956   1.902
   74    HA3  GLY  11           1HA      GLY  11  -7.790  -8.818   0.426
   75    H    GLY  12           H        GLY  12  -4.883  -6.988   1.212
   76    HA2  GLY  12           2HA      GLY  12  -3.002  -8.518   2.094
   77    HA3  GLY  12           1HA      GLY  12  -3.278  -9.363   0.577
   78    H    CYS  13           H        CYS  13  -1.330  -8.949  -0.356
   79    HA   CYS  13           HA       CYS  13  -1.013  -6.554  -1.778
   80    HB2  CYS  13           2HB      CYS  13  -0.276  -5.985   0.719
   81    HB3  CYS  13           1HB      CYS  13   1.198  -6.802   0.220
   82    HA   PRO  14           HA       PRO  14   1.471  -9.074  -4.402
   83    HB2  PRO  14           2HB      PRO  14   3.640  -7.042  -4.032
   84    HB3  PRO  14           1HB      PRO  14   3.026  -7.770  -5.522
   85    HG2  PRO  14           2HG      PRO  14   2.292  -5.312  -4.830
   86    HG3  PRO  14           1HG      PRO  14   1.127  -6.435  -5.548
   87    HD2  PRO  14           2HD      PRO  14   1.391  -5.543  -2.726
   88    HD3  PRO  14           1HD      PRO  14  -0.063  -5.997  -3.632
   89    H    SER  15           H        SER  15   3.078  -7.761  -1.550
   90    HA   SER  15           HA       SER  15   3.984 -10.330  -0.731
   91    HB2  SER  15           2HB      SER  15   6.447  -9.691  -0.763
   92    HB3  SER  15           1HB      SER  15   5.731 -10.068  -2.330
   93    HG   SER  15           HG       SER  15   7.034  -7.922  -1.732
   94    H    HIS  16           H        HIS  16   2.387  -8.814   0.648
   95    HA   HIS  16           HA       HIS  16   2.035  -7.605   2.558
   96    HB2  HIS  16           2HB      HIS  16   4.654  -8.910   3.315
   97    HB3  HIS  16           1HB      HIS  16   3.485  -8.229   4.439
   98    HD1  HIS  16           1HD      HIS  16   0.976  -9.442   4.150
   99    HD2  HIS  16           2HD      HIS  16   4.359 -11.558   2.997
  100    HE1  HIS  16           1HE      HIS  16   0.281 -11.860   4.111
  101    HE2  HIS  16           2HE      HIS  16   2.321 -13.114   3.339
  102    H    LEU  17           H        LEU  17   3.025  -6.015   0.639
  103    HA   LEU  17           HA       LEU  17   5.381  -4.619   1.207
  104    HB2  LEU  17           2HB      LEU  17   3.003  -3.313  -0.060
  105    HB3  LEU  17           1HB      LEU  17   4.697  -3.069  -0.391
  106    HG   LEU  17           HG       LEU  17   3.091  -5.494  -1.153
  107   HD11  LEU  17          1HD1      LEU  17   2.455  -3.697  -2.542
  108   HD12  LEU  17          2HD1      LEU  17   3.614  -4.658  -3.465
  109   HD13  LEU  17          3HD1      LEU  17   4.122  -3.146  -2.714
  110   HD21  LEU  17          3HD2      LEU  17   5.270  -6.272  -0.757
  111   HD22  LEU  17          1HD2      LEU  17   6.002  -4.829  -1.460
  112   HD23  LEU  17          2HD2      LEU  17   5.185  -5.995  -2.497
  113    H    ILE  18           H        ILE  18   5.763  -2.675   2.281
  114    HA   ILE  18           HA       ILE  18   4.429  -2.256   4.694
  115    HB   ILE  18           HB       ILE  18   6.153  -0.314   3.144
  116   HG12  ILE  18          2HG1      ILE  18   6.841  -2.205   5.405
  117   HG13  ILE  18          1HG1      ILE  18   7.263  -2.445   3.714
  118   HG21  ILE  18          1HG2      ILE  18   5.185  -0.262   5.998
  119   HG22  ILE  18          2HG2      ILE  18   4.898   0.938   4.738
  120   HG23  ILE  18          3HG2      ILE  18   6.518   0.725   5.399
  121   HD11  ILE  18          3HD1      ILE  18   8.519  -0.249   3.872
  122   HD12  ILE  18          1HD1      ILE  18   9.198  -1.625   4.741
  123   HD13  ILE  18          2HD1      ILE  18   8.307  -0.381   5.618
  124    H    LYS  19           H        LYS  19   2.731  -1.021   5.291
  125    HA   LYS  19           HA       LYS  19   0.941  -0.070   3.321
  126    HB2  LYS  19           2HB      LYS  19  -0.035  -0.822   5.322
  127    HB3  LYS  19           1HB      LYS  19   1.048   0.142   6.310
  128    HG2  LYS  19           2HG      LYS  19  -0.103   2.179   5.334
  129    HG3  LYS  19           1HG      LYS  19  -1.304   1.060   4.693
  130    HD2  LYS  19           2HD      LYS  19  -2.207   1.789   6.730
  131    HD3  LYS  19           1HD      LYS  19  -1.529   0.203   7.092
  132    HE2  LYS  19           2HE      LYS  19  -0.165   2.841   7.632
  133    HE3  LYS  19           1HE      LYS  19  -1.033   1.889   8.830
  134    HZ1  LYS  19           3HZ      LYS  19   0.604   0.045   8.166
  135    HZ2  LYS  19           1HZ      LYS  19   1.152   1.293   9.160
  136    HZ3  LYS  19           2HZ      LYS  19   1.538   1.295   7.518
  137    H    VAL  20           H        VAL  20   0.964   1.807   2.268
  138    HA   VAL  20           HA       VAL  20   2.242   4.139   3.511
  139    HB   VAL  20           HB       VAL  20   3.160   4.795   1.322
  140   HG11  VAL  20          1HG1      VAL  20   4.107   2.017   1.974
  141   HG12  VAL  20          2HG1      VAL  20   4.434   3.401   3.017
  142   HG13  VAL  20          3HG1      VAL  20   5.044   3.380   1.363
  143   HG21  VAL  20          3HG2      VAL  20   3.290   2.941  -0.432
  144   HG22  VAL  20          1HG2      VAL  20   1.746   3.772  -0.256
  145   HG23  VAL  20          2HG2      VAL  20   1.973   2.172   0.448
  146    H    GLY  21           H        GLY  21  -0.551   3.472   3.410
  147    HA2  GLY  21           2HA      GLY  21  -1.787   5.819   2.927
  148    HA3  GLY  21           1HA      GLY  21  -1.747   5.096   1.324
  149    H    SER  22           H        SER  22  -4.134   5.113   1.455
  150    HA   SER  22           HA       SER  22  -5.129   2.590   2.116
  151    HB2  SER  22           2HB      SER  22  -6.692   3.360   4.002
  152    HB3  SER  22           1HB      SER  22  -5.009   3.041   4.405
  153    HG   SER  22           HG       SER  22  -5.192   5.580   3.649
  154    H    CYS  23           H        CYS  23  -6.950   2.179   1.174
  155    HA   CYS  23           HA       CYS  23  -8.484   4.338  -0.096
  156    HB2  CYS  23           2HB      CYS  23  -8.049   1.437  -0.704
  157    HB3  CYS  23           1HB      CYS  23  -9.572   2.159  -1.185
  158    H    PHE  24           H        PHE  24 -10.858   4.215   0.097
  159    HA   PHE  24           HA       PHE  24 -11.792   3.895   2.666
  160    HB2  PHE  24           2HB      PHE  24 -13.060   5.044   0.881
  161    HB3  PHE  24           1HB      PHE  24 -13.387   3.489   0.124
  162    HD1  PHE  24           2HD      PHE  24 -13.520   4.486   3.710
  163    HD2  PHE  24           1HD      PHE  24 -15.673   3.172   0.283
  164    HE1  PHE  24           2HE      PHE  24 -15.548   4.244   5.080
  165    HE2  PHE  24           1HE      PHE  24 -17.704   2.929   1.646
  166    HZ   PHE  24           HZ       PHE  24 -17.644   3.465   4.048
  167    H    GLY  25           H        GLY  25 -12.812   2.244   3.808
  168    HA2  GLY  25           2HA      GLY  25 -13.562   0.078   4.235
  169    HA3  GLY  25           1HA      GLY  25 -13.134  -0.374   2.593
  170    H    PHE  26           H        PHE  26 -11.140   1.141   5.065
  171    HA   PHE  26           HA       PHE  26  -9.066   0.621   5.847
  172    HB2  PHE  26           2HB      PHE  26 -10.520  -0.843   7.218
  173    HB3  PHE  26           1HB      PHE  26 -10.293  -2.138   6.049
  174    HD1  PHE  26           2HD      PHE  26  -7.839   0.264   7.484
  175    HD2  PHE  26           1HD      PHE  26  -9.095  -3.784   7.150
  176    HE1  PHE  26           2HE      PHE  26  -5.822  -0.453   8.691
  177    HE2  PHE  26           1HE      PHE  26  -7.078  -4.510   8.356
  178    HZ   PHE  26           HZ       PHE  26  -5.438  -2.846   9.127
  179    H    ARG  27           H        ARG  27  -9.399   0.437   2.974
  180    HA   ARG  27           HA       ARG  27  -7.830  -1.827   2.110
  181    HB2  ARG  27           2HB      ARG  27  -8.927   0.593   0.700
  182    HB3  ARG  27           1HB      ARG  27  -7.882  -0.554  -0.109
  183    HG2  ARG  27           2HG      ARG  27 -10.516  -1.183   1.176
  184    HG3  ARG  27           1HG      ARG  27 -10.246  -0.924  -0.550
  185    HD2  ARG  27           2HD      ARG  27  -8.710  -2.802  -0.602
  186    HD3  ARG  27           1HD      ARG  27  -8.959  -3.066   1.127
  187    HE   ARG  27           HE       ARG  27 -11.391  -3.058  -0.361
  188   HH11  ARG  27          1HH1      ARG  27  -8.719  -5.025   0.723
  189   HH12  ARG  27          2HH1      ARG  27  -9.558  -6.528   0.497
  190   HH21  ARG  27          1HH2      ARG  27 -12.512  -5.033  -0.651
  191   HH22  ARG  27          2HH2      ARG  27 -11.718  -6.529  -0.290
  192    H    SER  28           H        SER  28  -6.314  -0.953   3.915
  193    HA   SER  28           HA       SER  28  -4.688   1.222   3.712
  194    HB2  SER  28           2HB      SER  28  -3.637  -1.503   4.464
  195    HB3  SER  28           1HB      SER  28  -3.153   0.068   5.107
  196    HG   SER  28           HG       SER  28  -4.934   0.158   6.311
  197    H    CYS  29           H        CYS  29  -3.485   1.975   2.115
  198    HA   CYS  29           HA       CYS  29  -2.722   0.401  -0.120
  199    HB2  CYS  29           2HB      CYS  29  -1.675   3.132   0.628
  200    HB3  CYS  29           1HB      CYS  29  -1.751   2.418  -0.979
  201    H    CYS  30           H        CYS  30  -0.774  -0.486  -0.631
  202    HA   CYS  30           HA       CYS  30   1.365  -0.278   1.365
  203    HB2  CYS  30           2HB      CYS  30   1.701  -2.766   1.035
  204    HB3  CYS  30           1HB      CYS  30   0.258  -2.304   1.919
  205    H    LYS  31           H        LYS  31   3.454  -0.486   0.601
  206    HA   LYS  31           HA       LYS  31   3.875  -0.910  -2.253
  207    HB2  LYS  31           2HB      LYS  31   3.594   1.476  -2.087
  208    HB3  LYS  31           1HB      LYS  31   4.730   1.568  -0.756
  209    HG2  LYS  31           2HG      LYS  31   5.877   0.356  -3.137
  210    HG3  LYS  31           1HG      LYS  31   5.283   1.993  -3.418
  211    HD2  LYS  31           2HD      LYS  31   7.084   1.259  -1.122
  212    HD3  LYS  31           1HD      LYS  31   7.688   1.816  -2.682
  213    HE2  LYS  31           2HE      LYS  31   6.380   3.892  -2.405
  214    HE3  LYS  31           1HE      LYS  31   5.862   3.332  -0.817
  215    HZ1  LYS  31           3HZ      LYS  31   8.719   3.618  -1.514
  216    HZ2  LYS  31           1HZ      LYS  31   8.022   3.504   0.019
  217    HZ3  LYS  31           2HZ      LYS  31   7.823   4.904  -0.899
  218    H    TRP  32           H        TRP  32   5.861  -1.679  -2.760
  219    HA   TRP  32           HA       TRP  32   7.183  -3.296  -0.988
  220    HB2  TRP  32           2HB      TRP  32   8.463  -1.964  -3.382
  221    HB3  TRP  32           1HB      TRP  32   8.986  -3.453  -2.607
  222    HD1  TRP  32           HD       TRP  32   5.916  -2.120  -4.570
  223    HE1  TRP  32           1HE      TRP  32   4.896  -4.088  -5.870
  224    HE3  TRP  32           3HE      TRP  32   8.917  -5.870  -2.831
  225    HZ2  TRP  32           2HZ      TRP  32   5.305  -6.872  -6.118
  226    HZ3  TRP  32           3HZ      TRP  32   8.538  -8.157  -3.648
  227    HH2  TRP  32           HH       TRP  32   6.767  -8.648  -5.257
  228    HA   PRO  33           HA       PRO  33   9.421  -0.642   1.757
  229    HB2  PRO  33           2HB      PRO  33  11.480  -2.791   1.673
  230    HB3  PRO  33           1HB      PRO  33  10.681  -2.052   3.063
  231    HG2  PRO  33           2HG      PRO  33  10.016  -4.502   2.245
  232    HG3  PRO  33           1HG      PRO  33   8.795  -3.373   2.853
  233    HD2  PRO  33           2HD      PRO  33   9.391  -4.189   0.045
  234    HD3  PRO  33           1HD      PRO  33   7.833  -3.808   0.806
  235    H    TRP  34           H        TRP  34  11.435  -2.419  -0.583
  236    HA   TRP  34           HA       TRP  34  13.287  -0.222  -0.788
  237    HB2  TRP  34           2HB      TRP  34  13.209  -2.741  -2.449
  238    HB3  TRP  34           1HB      TRP  34  14.551  -1.635  -2.276
  239    HD1  TRP  34           HD       TRP  34  16.186  -2.088  -0.430
  240    HE1  TRP  34           1HE      TRP  34  16.377  -3.774   1.508
  241    HE3  TRP  34           3HE      TRP  34  11.543  -4.173  -0.742
  242    HZ2  TRP  34           2HZ      TRP  34  14.759  -5.729   2.731
  243    HZ3  TRP  34           3HZ      TRP  34  10.941  -5.952   0.845
  244    HH2  TRP  34           HH       TRP  34  12.520  -6.715   2.542
  245    H    ASN  35           H        ASN  35  11.112  -1.920  -3.049
  246    HA   ASN  35           HA       ASN  35  10.201  -1.275  -5.040
  247    HB2  ASN  35           2HB      ASN  35   9.049   0.294  -3.434
  248    HB3  ASN  35           1HB      ASN  35  10.260   1.506  -3.834
  249   HD21  ASN  35          1HD2      ASN  35   7.225   0.476  -4.496
  250   HD22  ASN  35          2HD2      ASN  35   7.014   1.165  -6.067
  251    H    ALA  36           H        ALA  36  12.880  -1.604  -5.135
  252    HA   ALA  36           HA       ALA  36  13.649  -0.234  -7.445
  253    HB1  ALA  36           1HB      ALA  36  14.077   1.755  -6.355
  254    HB2  ALA  36           2HB      ALA  36  15.653   0.969  -6.270
  255    HB3  ALA  36           3HB      ALA  36  14.584   0.953  -4.868
  Start of MODEL    5
    1    H1   LEU   1           1HT      LEU   1   3.987  -1.054  -7.100
    2    H2   LEU   1           2HT      LEU   1   2.490  -1.719  -7.494
    3    H3   LEU   1           3HT      LEU   1   3.025  -1.743  -5.895
    4    HA   LEU   1           HA       LEU   1   1.877   0.097  -5.578
    5    HB2  LEU   1           2HB      LEU   1   3.997   1.143  -7.459
    6    HB3  LEU   1           1HB      LEU   1   2.930   2.177  -6.537
    7    HG   LEU   1           HG       LEU   1   3.868   1.295  -4.433
    8   HD11  LEU   1          2HD1      LEU   1   5.498  -0.386  -6.321
    9   HD12  LEU   1          3HD1      LEU   1   4.530  -0.899  -4.938
   10   HD13  LEU   1          1HD1      LEU   1   6.036  -0.023  -4.682
   11   HD21  LEU   1          1HD2      LEU   1   6.264   2.155  -4.869
   12   HD22  LEU   1          2HD2      LEU   1   4.907   3.258  -5.092
   13   HD23  LEU   1          3HD2      LEU   1   5.674   2.510  -6.492
   14    H    PHE   2           H        PHE   2   0.449   1.794  -6.509
   15    HA   PHE   2           HA       PHE   2  -0.214   1.884  -9.231
   16    HB2  PHE   2           2HB      PHE   2  -0.994  -0.381  -8.984
   17    HB3  PHE   2           1HB      PHE   2  -1.890   0.041  -7.530
   18    HD1  PHE   2           1HD      PHE   2  -1.700   1.503 -10.964
   19    HD2  PHE   2           2HD      PHE   2  -4.141  -0.131  -7.886
   20    HE1  PHE   2           1HE      PHE   2  -3.701   1.932 -12.329
   21    HE2  PHE   2           2HE      PHE   2  -6.145   0.292  -9.245
   22    HZ   PHE   2           HZ       PHE   2  -5.928   1.323 -11.468
   23    H    CYS   3           H        CYS   3  -1.742   1.874  -6.072
   24    HA   CYS   3           HA       CYS   3  -3.408   4.138  -6.711
   25    HB2  CYS   3           2HB      CYS   3  -4.155   3.907  -4.327
   26    HB3  CYS   3           1HB      CYS   3  -4.363   2.455  -5.297
   27    H    LYS   4           H        LYS   4  -2.896   4.873  -3.677
   28    HA   LYS   4           HA       LYS   4  -1.319   7.154  -4.242
   29    HB2  LYS   4           2HB      LYS   4  -2.317   5.986  -1.644
   30    HB3  LYS   4           1HB      LYS   4  -1.473   7.523  -1.764
   31    HG2  LYS   4           2HG      LYS   4  -3.240   8.352  -3.263
   32    HG3  LYS   4           1HG      LYS   4  -4.099   6.826  -3.054
   33    HD2  LYS   4           2HD      LYS   4  -4.373   7.246  -0.698
   34    HD3  LYS   4           1HD      LYS   4  -3.367   8.692  -0.801
   35    HE2  LYS   4           2HE      LYS   4  -5.717   9.298  -0.730
   36    HE3  LYS   4           1HE      LYS   4  -5.016   9.726  -2.289
   37    HZ1  LYS   4           3HZ      LYS   4  -6.001   7.162  -2.564
   38    HZ2  LYS   4           1HZ      LYS   4  -6.639   8.579  -3.223
   39    HZ3  LYS   4           2HZ      LYS   4  -7.196   8.018  -1.731
   40    H    GLY   5           H        GLY   5   0.533   5.941  -5.123
   41    HA2  GLY   5           2HA      GLY   5   2.727   5.292  -4.966
   42    HA3  GLY   5           1HA      GLY   5   2.710   5.972  -3.348
   43    H    GLY   6           H        GLY   6   0.665   3.376  -4.490
   44    HA2  GLY   6           2HA      GLY   6   2.181   1.187  -3.629
   45    HA3  GLY   6           1HA      GLY   6   1.183   1.712  -2.281
   46    H    SER   7           H        SER   7   0.016  -0.255  -2.368
   47    HA   SER   7           HA       SER   7  -2.036  -0.237  -4.460
   48    HB2  SER   7           2HB      SER   7  -0.328  -1.976  -5.007
   49    HB3  SER   7           1HB      SER   7  -0.675  -2.749  -3.463
   50    HG   SER   7           HG       SER   7  -2.539  -3.463  -4.212
   51    H    CYS   8           H        CYS   8  -3.939  -0.086  -3.545
   52    HA   CYS   8           HA       CYS   8  -4.417  -0.033  -0.832
   53    HB2  CYS   8           2HB      CYS   8  -6.559  -0.839  -2.769
   54    HB3  CYS   8           1HB      CYS   8  -6.666   0.236  -1.387
   55    H    HIS   9           H        HIS   9  -4.868  -1.461   0.682
   56    HA   HIS   9           HA       HIS   9  -4.384  -4.222   0.276
   57    HB2  HIS   9           2HB      HIS   9  -4.643  -2.399   2.471
   58    HB3  HIS   9           1HB      HIS   9  -5.612  -3.826   2.795
   59    HD1  HIS   9           1HD      HIS   9  -4.311  -6.122   2.908
   60    HD2  HIS   9           2HD      HIS   9  -1.921  -2.731   2.660
   61    HE1  HIS   9           1HE      HIS   9  -2.007  -6.872   3.576
   62    HE2  HIS   9           2HE      HIS   9  -0.641  -4.758   3.637
   63    H    PHE  10           H        PHE  10  -6.334  -3.956  -1.454
   64    HA   PHE  10           HA       PHE  10  -8.924  -4.455  -0.284
   65    HB2  PHE  10           2HB      PHE  10  -9.394  -5.008  -2.838
   66    HB3  PHE  10           1HB      PHE  10  -9.263  -3.354  -2.261
   67    HD1  PHE  10           1HD      PHE  10  -6.943  -6.043  -3.430
   68    HD2  PHE  10           2HD      PHE  10  -8.072  -1.948  -3.569
   69    HE1  PHE  10           1HE      PHE  10  -5.134  -5.600  -5.042
   70    HE2  PHE  10           2HE      PHE  10  -6.270  -1.495  -5.180
   71    HZ   PHE  10           HZ       PHE  10  -4.796  -3.321  -5.914
   72    H    GLY  11           H        GLY  11  -7.039  -6.235   0.620
   73    HA2  GLY  11           2HA      GLY  11  -8.134  -8.631   0.767
   74    HA3  GLY  11           1HA      GLY  11  -7.424  -8.738  -0.840
   75    H    GLY  12           H        GLY  12  -5.084  -7.392  -0.517
   76    HA2  GLY  12           2HA      GLY  12  -3.593  -8.094   1.777
   77    HA3  GLY  12           1HA      GLY  12  -3.368  -9.321   0.538
   78    H    CYS  13           H        CYS  13  -1.329  -8.954  -0.105
   79    HA   CYS  13           HA       CYS  13  -0.705  -7.023  -1.953
   80    HB2  CYS  13           2HB      CYS  13  -0.255  -6.138   0.844
   81    HB3  CYS  13           1HB      CYS  13   1.057  -5.830  -0.286
   82    HA   PRO  14           HA       PRO  14   2.411 -10.070  -2.667
   83    HB2  PRO  14           2HB      PRO  14   4.013  -7.733  -3.609
   84    HB3  PRO  14           1HB      PRO  14   3.688  -9.273  -4.412
   85    HG2  PRO  14           2HG      PRO  14   2.412  -7.054  -5.145
   86    HG3  PRO  14           1HG      PRO  14   1.583  -8.620  -5.112
   87    HD2  PRO  14           2HD      PRO  14   1.362  -6.322  -3.238
   88    HD3  PRO  14           1HD      PRO  14   0.140  -7.513  -3.718
   89    H    SER  15           H        SER  15   3.909 -10.943  -1.371
   90    HA   SER  15           HA       SER  15   5.398 -11.196   0.326
   91    HB2  SER  15           2HB      SER  15   6.449  -8.530  -0.640
   92    HB3  SER  15           1HB      SER  15   7.342  -9.752   0.267
   93    HG   SER  15           HG       SER  15   6.150 -10.358  -2.217
   94    H    HIS  16           H        HIS  16   6.510  -8.413   1.398
   95    HA   HIS  16           HA       HIS  16   4.323  -8.004   3.326
   96    HB2  HIS  16           2HB      HIS  16   6.166  -9.159   4.413
   97    HB3  HIS  16           1HB      HIS  16   7.307  -7.955   3.828
   98    HD1  HIS  16           1HD      HIS  16   7.596  -8.115   6.647
   99    HD2  HIS  16           2HD      HIS  16   4.418  -5.956   5.062
  100    HE1  HIS  16           1HE      HIS  16   6.884  -6.532   8.461
  101    HE2  HIS  16           2HE      HIS  16   5.068  -5.136   7.424
  102    H    LEU  17           H        LEU  17   4.009  -6.453   1.304
  103    HA   LEU  17           HA       LEU  17   5.541  -4.160   0.978
  104    HB2  LEU  17           2HB      LEU  17   2.540  -4.339   0.824
  105    HB3  LEU  17           1HB      LEU  17   3.529  -3.084   0.112
  106    HG   LEU  17           HG       LEU  17   3.228  -5.939  -0.748
  107   HD11  LEU  17          1HD1      LEU  17   1.585  -4.411  -1.610
  108   HD12  LEU  17          2HD1      LEU  17   2.702  -4.847  -2.905
  109   HD13  LEU  17          3HD1      LEU  17   2.845  -3.282  -2.106
  110   HD21  LEU  17          3HD2      LEU  17   5.292  -3.987  -1.756
  111   HD22  LEU  17          1HD2      LEU  17   4.994  -5.611  -2.370
  112   HD23  LEU  17          2HD2      LEU  17   5.636  -5.390  -0.743
  113    H    ILE  18           H        ILE  18   5.931  -2.434   2.226
  114    HA   ILE  18           HA       ILE  18   4.750  -2.200   4.824
  115    HB   ILE  18           HB       ILE  18   6.513  -0.272   3.298
  116   HG12  ILE  18          2HG1      ILE  18   7.635  -2.384   3.766
  117   HG13  ILE  18          1HG1      ILE  18   8.307  -1.109   4.774
  118   HG21  ILE  18          1HG2      ILE  18   5.503  -0.238   6.126
  119   HG22  ILE  18          2HG2      ILE  18   5.391   1.027   4.901
  120   HG23  ILE  18          3HG2      ILE  18   6.949   0.642   5.630
  121   HD11  ILE  18          3HD1      ILE  18   8.119  -2.880   6.235
  122   HD12  ILE  18          1HD1      ILE  18   6.590  -3.424   5.546
  123   HD13  ILE  18          2HD1      ILE  18   6.638  -1.975   6.550
  124    H    LYS  19           H        LYS  19   2.951  -1.095   5.351
  125    HA   LYS  19           HA       LYS  19   1.215  -0.099   3.415
  126    HB2  LYS  19           2HB      LYS  19   0.330  -0.805   5.516
  127    HB3  LYS  19           1HB      LYS  19   1.315   0.359   6.394
  128    HG2  LYS  19           2HG      LYS  19   0.026   2.186   5.530
  129    HG3  LYS  19           1HG      LYS  19  -0.861   1.111   4.456
  130    HD2  LYS  19           2HD      LYS  19  -2.211   1.672   6.399
  131    HD3  LYS  19           1HD      LYS  19  -1.806  -0.045   6.408
  132    HE2  LYS  19           2HE      LYS  19  -1.585   0.899   8.634
  133    HE3  LYS  19           1HE      LYS  19  -0.013   0.395   8.022
  134    HZ1  LYS  19           3HZ      LYS  19   0.747   2.451   8.246
  135    HZ2  LYS  19           1HZ      LYS  19  -0.699   2.874   9.011
  136    HZ3  LYS  19           2HZ      LYS  19  -0.526   3.097   7.346
  137    H    VAL  20           H        VAL  20   1.474   1.586   2.182
  138    HA   VAL  20           HA       VAL  20   3.212   3.777   2.799
  139    HB   VAL  20           HB       VAL  20   1.132   3.680   0.606
  140   HG11  VAL  20          1HG1      VAL  20   2.248   5.845   1.067
  141   HG12  VAL  20          2HG1      VAL  20   2.559   5.218  -0.551
  142   HG13  VAL  20          3HG1      VAL  20   3.793   5.083   0.697
  143   HG21  VAL  20          3HG2      VAL  20   2.566   2.506  -0.808
  144   HG22  VAL  20          1HG2      VAL  20   2.711   1.652   0.729
  145   HG23  VAL  20          2HG2      VAL  20   3.961   2.787   0.232
  146    H    GLY  21           H        GLY  21  -0.241   3.216   2.584
  147    HA2  GLY  21           2HA      GLY  21  -0.952   4.992   4.630
  148    HA3  GLY  21           1HA      GLY  21  -1.152   5.814   3.086
  149    H    SER  22           H        SER  22  -3.385   5.909   3.185
  150    HA   SER  22           HA       SER  22  -4.846   3.393   3.402
  151    HB2  SER  22           2HB      SER  22  -5.522   5.489   4.677
  152    HB3  SER  22           1HB      SER  22  -6.003   6.167   3.123
  153    HG   SER  22           HG       SER  22  -7.111   4.024   4.568
  154    H    CYS  23           H        CYS  23  -7.056   4.655   1.791
  155    HA   CYS  23           HA       CYS  23  -6.215   5.120  -0.841
  156    HB2  CYS  23           2HB      CYS  23  -5.436   2.820  -0.862
  157    HB3  CYS  23           1HB      CYS  23  -6.977   2.252  -0.235
  158    H    PHE  24           H        PHE  24  -8.710   2.990   0.482
  159    HA   PHE  24           HA       PHE  24 -10.812   4.817   0.538
  160    HB2  PHE  24           2HB      PHE  24 -10.520   4.838  -1.936
  161    HB3  PHE  24           1HB      PHE  24 -10.787   3.099  -1.961
  162    HD1  PHE  24           1HD      PHE  24 -12.510   5.956  -0.283
  163    HD2  PHE  24           2HD      PHE  24 -12.828   2.597  -2.877
  164    HE1  PHE  24           1HE      PHE  24 -14.932   6.337  -0.473
  165    HE2  PHE  24           2HE      PHE  24 -15.249   2.975  -3.071
  166    HZ   PHE  24           HZ       PHE  24 -16.303   4.845  -1.869
  167    H    GLY  25           H        GLY  25 -12.603   3.848   1.493
  168    HA2  GLY  25           2HA      GLY  25 -13.761   2.221   2.633
  169    HA3  GLY  25           1HA      GLY  25 -13.207   1.099   1.396
  170    H    PHE  26           H        PHE  26 -11.208   2.998   3.541
  171    HA   PHE  26           HA       PHE  26  -9.627   2.467   5.057
  172    HB2  PHE  26           2HB      PHE  26 -11.526   0.189   5.644
  173    HB3  PHE  26           1HB      PHE  26 -10.153   0.632   6.656
  174    HD1  PHE  26           1HD      PHE  26 -13.171   2.190   5.102
  175    HD2  PHE  26           2HD      PHE  26 -10.520   2.042   8.429
  176    HE1  PHE  26           1HE      PHE  26 -14.555   3.847   6.275
  177    HE2  PHE  26           2HE      PHE  26 -11.905   3.693   9.610
  178    HZ   PHE  26           HZ       PHE  26 -13.927   4.597   8.534
  179    H    ARG  27           H        ARG  27  -9.147   1.636   2.448
  180    HA   ARG  27           HA       ARG  27  -7.805  -0.961   2.725
  181    HB2  ARG  27           2HB      ARG  27  -8.407   0.735   0.294
  182    HB3  ARG  27           1HB      ARG  27  -7.479  -0.758   0.246
  183    HG2  ARG  27           2HG      ARG  27  -9.356  -2.048   0.904
  184    HG3  ARG  27           1HG      ARG  27 -10.292  -0.605   1.291
  185    HD2  ARG  27           2HD      ARG  27  -9.454  -0.369  -1.400
  186    HD3  ARG  27           1HD      ARG  27 -10.082  -2.003  -1.186
  187    HE   ARG  27           HE       ARG  27 -11.824  -0.123  -0.004
  188   HH11  ARG  27          1HH1      ARG  27 -10.811  -1.313  -3.131
  189   HH12  ARG  27          2HH1      ARG  27 -12.313  -0.934  -3.902
  190   HH21  ARG  27          1HH2      ARG  27 -13.821   0.363  -1.026
  191   HH22  ARG  27          2HH2      ARG  27 -14.015   0.037  -2.720
  192    H    SER  28           H        SER  28  -5.720  -0.937   3.255
  193    HA   SER  28           HA       SER  28  -4.245   1.531   3.190
  194    HB2  SER  28           2HB      SER  28  -2.426   0.064   4.205
  195    HB3  SER  28           1HB      SER  28  -3.915   0.225   5.133
  196    HG   SER  28           HG       SER  28  -4.387  -1.818   4.767
  197    H    CYS  29           H        CYS  29  -2.959   2.210   1.604
  198    HA   CYS  29           HA       CYS  29  -2.407   0.519  -0.651
  199    HB2  CYS  29           2HB      CYS  29  -1.925   3.389   0.045
  200    HB3  CYS  29           1HB      CYS  29  -1.020   2.670  -1.273
  201    H    CYS  30           H        CYS  30  -0.931  -1.047  -0.306
  202    HA   CYS  30           HA       CYS  30   1.379  -0.599   1.377
  203    HB2  CYS  30           2HB      CYS  30   1.413  -3.064  -0.150
  204    HB3  CYS  30           1HB      CYS  30   1.414  -2.825   1.591
  205    H    LYS  31           H        LYS  31   3.533  -0.854   0.763
  206    HA   LYS  31           HA       LYS  31   4.199  -0.829  -2.088
  207    HB2  LYS  31           2HB      LYS  31   4.151   1.523  -1.443
  208    HB3  LYS  31           1HB      LYS  31   5.211   1.203  -0.082
  209    HG2  LYS  31           2HG      LYS  31   6.898   0.430  -1.823
  210    HG3  LYS  31           1HG      LYS  31   5.842   1.178  -3.012
  211    HD2  LYS  31           2HD      LYS  31   7.115   2.560  -0.651
  212    HD3  LYS  31           1HD      LYS  31   7.646   2.682  -2.328
  213    HE2  LYS  31           2HE      LYS  31   5.516   3.671  -2.940
  214    HE3  LYS  31           1HE      LYS  31   4.959   3.521  -1.280
  215    HZ1  LYS  31           3HZ      LYS  31   7.278   5.151  -2.148
  216    HZ2  LYS  31           1HZ      LYS  31   6.673   5.042  -0.576
  217    HZ3  LYS  31           2HZ      LYS  31   5.747   5.763  -1.789
  218    H    TRP  32           H        TRP  32   6.327  -1.614  -2.472
  219    HA   TRP  32           HA       TRP  32   7.128  -3.659  -0.746
  220    HB2  TRP  32           2HB      TRP  32   8.750  -2.290  -2.898
  221    HB3  TRP  32           1HB      TRP  32   9.159  -3.825  -2.139
  222    HD1  TRP  32           HD       TRP  32   6.283  -2.314  -4.259
  223    HE1  TRP  32           1HE      TRP  32   5.288  -4.199  -5.699
  224    HE3  TRP  32           3HE      TRP  32   9.033  -6.230  -2.473
  225    HZ2  TRP  32           2HZ      TRP  32   5.623  -6.984  -6.028
  226    HZ3  TRP  32           3HZ      TRP  32   8.633  -8.473  -3.399
  227    HH2  TRP  32           HH       TRP  32   6.964  -8.840  -5.138
  228    HA   PRO  33           HA       PRO  33   9.232  -1.549   2.524
  229    HB2  PRO  33           2HB      PRO  33  11.008  -3.942   2.496
  230    HB3  PRO  33           1HB      PRO  33  10.119  -3.217   3.840
  231    HG2  PRO  33           2HG      PRO  33   9.280  -5.479   2.710
  232    HG3  PRO  33           1HG      PRO  33   8.130  -4.248   3.257
  233    HD2  PRO  33           2HD      PRO  33   9.023  -4.917   0.489
  234    HD3  PRO  33           1HD      PRO  33   7.431  -4.391   1.069
  235    H    TRP  34           H        TRP  34  11.186  -3.319   0.174
  236    HA   TRP  34           HA       TRP  34  13.426  -1.530   0.456
  237    HB2  TRP  34           2HB      TRP  34  14.382  -2.985  -1.370
  238    HB3  TRP  34           1HB      TRP  34  13.913  -3.820   0.090
  239    HD1  TRP  34           HD       TRP  34  11.825  -2.947  -3.098
  240    HE1  TRP  34           1HE      TRP  34  10.691  -5.133  -3.870
  241    HE3  TRP  34           3HE      TRP  34  13.749  -6.079   0.391
  242    HZ2  TRP  34           2HZ      TRP  34  10.629  -7.851  -3.060
  243    HZ3  TRP  34           3HZ      TRP  34  13.111  -8.463   0.359
  244    HH2  TRP  34           HH       TRP  34  11.580  -9.326  -1.337
  245    H    ASN  35           H        ASN  35  11.117  -0.197  -0.274
  246    HA   ASN  35           HA       ASN  35  11.015   0.290  -3.088
  247    HB2  ASN  35           2HB      ASN  35   9.510   2.166  -2.474
  248    HB3  ASN  35           1HB      ASN  35   9.017   0.629  -1.779
  249   HD21  ASN  35          1HD2      ASN  35   8.410   0.730   0.250
  250   HD22  ASN  35          2HD2      ASN  35   8.926   1.894   1.421
  251    H    ALA  36           H        ALA  36  13.620   0.573  -2.471
  252    HA   ALA  36           HA       ALA  36  14.079   3.368  -3.113
  253    HB1  ALA  36           1HB      ALA  36  15.938   2.292  -1.076
  254    HB2  ALA  36           2HB      ALA  36  14.328   2.743  -0.517
  255    HB3  ALA  36           3HB      ALA  36  15.349   3.936  -1.320
  Start of MODEL    6
    1    H1   LEU   1           1HT      LEU   1   3.157   3.147  -7.268
    2    H2   LEU   1           2HT      LEU   1   2.137   2.745  -8.550
    3    H3   LEU   1           3HT      LEU   1   3.305   1.646  -8.029
    4    HA   LEU   1           HA       LEU   1   1.547   0.741  -6.981
    5    HB2  LEU   1           2HB      LEU   1   2.348   3.023  -5.165
    6    HB3  LEU   1           1HB      LEU   1   1.386   1.657  -4.662
    7    HG   LEU   1           HG       LEU   1   3.595   1.288  -3.888
    8   HD11  LEU   1          2HD1      LEU   1   2.409  -0.661  -4.835
    9   HD12  LEU   1          3HD1      LEU   1   4.165  -0.806  -4.902
   10   HD13  LEU   1          1HD1      LEU   1   3.258  -0.400  -6.358
   11   HD21  LEU   1          1HD2      LEU   1   4.507   1.850  -6.702
   12   HD22  LEU   1          2HD2      LEU   1   5.532   1.200  -5.428
   13   HD23  LEU   1          3HD2      LEU   1   4.831   2.809  -5.262
   14    H    PHE   2           H        PHE   2  -0.635   0.706  -6.919
   15    HA   PHE   2           HA       PHE   2  -2.143   2.836  -7.998
   16    HB2  PHE   2           2HB      PHE   2  -2.771   0.461  -8.217
   17    HB3  PHE   2           1HB      PHE   2  -3.111   0.398  -6.493
   18    HD1  PHE   2           1HD      PHE   2  -4.007   2.672  -9.321
   19    HD2  PHE   2           2HD      PHE   2  -5.346   0.371  -5.999
   20    HE1  PHE   2           1HE      PHE   2  -6.318   3.396  -9.754
   21    HE2  PHE   2           2HE      PHE   2  -7.657   1.092  -6.430
   22    HZ   PHE   2           HZ       PHE   2  -8.146   2.604  -8.308
   23    H    CYS   3           H        CYS   3  -1.205   4.377  -6.334
   24    HA   CYS   3           HA       CYS   3  -3.085   5.602  -4.832
   25    HB2  CYS   3           2HB      CYS   3  -3.412   3.812  -3.317
   26    HB3  CYS   3           1HB      CYS   3  -1.693   3.471  -3.238
   27    H    LYS   4           H        LYS   4  -0.724   6.100  -6.379
   28    HA   LYS   4           HA       LYS   4   1.292   7.207  -6.347
   29    HB2  LYS   4           2HB      LYS   4  -0.547   8.917  -6.143
   30    HB3  LYS   4           1HB      LYS   4  -0.266   8.931  -4.410
   31    HG2  LYS   4           2HG      LYS   4   2.046   9.693  -4.823
   32    HG3  LYS   4           1HG      LYS   4   1.692   9.743  -6.550
   33    HD2  LYS   4           2HD      LYS   4   0.292  11.342  -4.407
   34    HD3  LYS   4           1HD      LYS   4   1.497  11.960  -5.537
   35    HE2  LYS   4           2HE      LYS   4   0.019  11.436  -7.409
   36    HE3  LYS   4           1HE      LYS   4  -1.182  10.793  -6.292
   37    HZ1  LYS   4           3HZ      LYS   4  -2.005  12.848  -6.371
   38    HZ2  LYS   4           1HZ      LYS   4  -0.575  13.526  -6.966
   39    HZ3  LYS   4           2HZ      LYS   4  -0.755  13.253  -5.309
   40    H    GLY   5           H        GLY   5   1.307   5.050  -4.543
   41    HA2  GLY   5           2HA      GLY   5   3.562   5.587  -3.019
   42    HA3  GLY   5           1HA      GLY   5   2.180   5.809  -1.961
   43    H    GLY   6           H        GLY   6   0.491   3.746  -2.734
   44    HA2  GLY   6           2HA      GLY   6   2.010   1.279  -2.824
   45    HA3  GLY   6           1HA      GLY   6   1.308   1.617  -1.257
   46    H    SER   7           H        SER   7   0.856  -0.372  -3.595
   47    HA   SER   7           HA       SER   7  -1.683  -0.076  -4.669
   48    HB2  SER   7           2HB      SER   7  -1.676  -2.646  -4.621
   49    HB3  SER   7           1HB      SER   7  -0.339  -1.867  -5.465
   50    HG   SER   7           HG       SER   7   0.242  -2.177  -2.848
   51    H    CYS   8           H        CYS   8  -3.453   0.434  -3.533
   52    HA   CYS   8           HA       CYS   8  -3.874   0.191  -0.847
   53    HB2  CYS   8           2HB      CYS   8  -5.890   0.164  -3.082
   54    HB3  CYS   8           1HB      CYS   8  -6.300   0.358  -1.386
   55    H    HIS   9           H        HIS   9  -4.382  -1.282   0.541
   56    HA   HIS   9           HA       HIS   9  -4.106  -3.996   0.054
   57    HB2  HIS   9           2HB      HIS   9  -4.528  -2.282   2.300
   58    HB3  HIS   9           1HB      HIS   9  -5.572  -3.683   2.455
   59    HD1  HIS   9           1HD      HIS   9  -4.365  -6.026   2.640
   60    HD2  HIS   9           2HD      HIS   9  -1.835  -2.725   2.734
   61    HE1  HIS   9           1HE      HIS   9  -2.166  -6.884   3.495
   62    HE2  HIS   9           2HE      HIS   9  -0.671  -4.863   3.614
   63    H    PHE  10           H        PHE  10  -5.596  -4.248  -1.764
   64    HA   PHE  10           HA       PHE  10  -8.429  -4.235  -1.316
   65    HB2  PHE  10           2HB      PHE  10  -6.633  -5.218  -3.520
   66    HB3  PHE  10           1HB      PHE  10  -8.332  -5.662  -3.507
   67    HD1  PHE  10           1HD      PHE  10  -7.199  -2.383  -2.297
   68    HD2  PHE  10           2HD      PHE  10  -8.792  -4.573  -5.580
   69    HE1  PHE  10           1HE      PHE  10  -7.769  -0.275  -3.426
   70    HE2  PHE  10           2HE      PHE  10  -9.362  -2.468  -6.710
   71    HZ   PHE  10           HZ       PHE  10  -8.853  -0.316  -5.635
   72    H    GLY  11           H        GLY  11  -7.214  -5.655   0.719
   73    HA2  GLY  11           2HA      GLY  11  -7.303  -7.633   1.860
   74    HA3  GLY  11           1HA      GLY  11  -8.697  -7.993   0.854
   75    H    GLY  12           H        GLY  12  -5.409  -7.496  -0.337
   76    HA2  GLY  12           2HA      GLY  12  -4.794 -10.282  -0.503
   77    HA3  GLY  12           1HA      GLY  12  -5.371  -9.657  -2.038
   78    H    CYS  13           H        CYS  13  -3.392  -7.925   0.328
   79    HA   CYS  13           HA       CYS  13  -1.425  -7.426  -1.751
   80    HB2  CYS  13           2HB      CYS  13  -1.769  -6.352   1.039
   81    HB3  CYS  13           1HB      CYS  13  -0.337  -6.013   0.078
   82    HA   PRO  14           HA       PRO  14   1.180 -10.815  -0.579
   83    HB2  PRO  14           2HB      PRO  14   3.374  -9.037  -1.504
   84    HB3  PRO  14           1HB      PRO  14   2.964 -10.678  -2.013
   85    HG2  PRO  14           2HG      PRO  14   2.448  -8.570  -3.572
   86    HG3  PRO  14           1HG      PRO  14   1.347  -9.957  -3.495
   87    HD2  PRO  14           2HD      PRO  14   1.085  -7.254  -2.259
   88    HD3  PRO  14           1HD      PRO  14  -0.165  -8.314  -2.940
   89    H    SER  15           H        SER  15   2.288 -11.347   1.228
   90    HA   SER  15           HA       SER  15   3.089 -11.134   3.345
   91    HB2  SER  15           2HB      SER  15   5.113 -10.654   2.031
   92    HB3  SER  15           1HB      SER  15   4.699  -8.940   2.010
   93    HG   SER  15           HG       SER  15   5.946 -10.388   3.929
   94    H    HIS  16           H        HIS  16   4.185  -8.345   4.148
   95    HA   HIS  16           HA       HIS  16   1.597  -7.137   4.887
   96    HB2  HIS  16           2HB      HIS  16   2.587  -6.583   7.076
   97    HB3  HIS  16           1HB      HIS  16   2.547  -8.322   6.807
   98    HD1  HIS  16           1HD      HIS  16   5.035  -5.447   6.551
   99    HD2  HIS  16           2HD      HIS  16   4.938  -9.555   7.134
  100    HE1  HIS  16           1HE      HIS  16   7.401  -6.110   7.061
  101    HE2  HIS  16           2HE      HIS  16   7.280  -8.564   7.600
  102    H    LEU  17           H        LEU  17   2.903  -6.312   2.659
  103    HA   LEU  17           HA       LEU  17   4.863  -4.498   2.583
  104    HB2  LEU  17           2HB      LEU  17   2.183  -3.864   1.380
  105    HB3  LEU  17           1HB      LEU  17   3.757  -3.390   0.785
  106    HG   LEU  17           HG       LEU  17   2.515  -6.123   0.716
  107   HD11  LEU  17          1HD1      LEU  17   3.415  -4.183  -1.393
  108   HD12  LEU  17          2HD1      LEU  17   1.780  -4.764  -1.078
  109   HD13  LEU  17          3HD1      LEU  17   2.997  -5.864  -1.724
  110   HD21  LEU  17          3HD2      LEU  17   5.372  -5.313   0.253
  111   HD22  LEU  17          1HD2      LEU  17   4.676  -6.779  -0.438
  112   HD23  LEU  17          2HD2      LEU  17   4.750  -6.579   1.314
  113    H    ILE  18           H        ILE  18   5.309  -2.456   3.233
  114    HA   ILE  18           HA       ILE  18   4.155  -1.421   5.518
  115    HB   ILE  18           HB       ILE  18   5.281   0.744   4.908
  116   HG12  ILE  18          2HG1      ILE  18   6.220  -0.835   2.506
  117   HG13  ILE  18          1HG1      ILE  18   5.073   0.499   2.446
  118   HG21  ILE  18          1HG2      ILE  18   7.462  -0.074   5.339
  119   HG22  ILE  18          2HG2      ILE  18   7.093  -1.639   4.614
  120   HG23  ILE  18          3HG2      ILE  18   6.344  -1.176   6.144
  121   HD11  ILE  18          3HD1      ILE  18   6.854   1.962   3.393
  122   HD12  ILE  18          1HD1      ILE  18   7.204   1.314   1.790
  123   HD13  ILE  18          2HD1      ILE  18   7.975   0.613   3.213
  124    H    LYS  19           H        LYS  19   2.452  -0.229   5.959
  125    HA   LYS  19           HA       LYS  19   0.521   0.362   3.943
  126    HB2  LYS  19           2HB      LYS  19  -0.279  -0.300   6.093
  127    HB3  LYS  19           1HB      LYS  19   0.658   0.950   6.899
  128    HG2  LYS  19           2HG      LYS  19  -0.763   2.667   6.013
  129    HG3  LYS  19           1HG      LYS  19  -1.612   1.503   5.003
  130    HD2  LYS  19           2HD      LYS  19  -2.911   2.099   6.982
  131    HD3  LYS  19           1HD      LYS  19  -2.475   0.392   6.993
  132    HE2  LYS  19           2HE      LYS  19  -0.919   2.511   8.462
  133    HE3  LYS  19           1HE      LYS  19  -2.242   1.606   9.189
  134    HZ1  LYS  19           3HZ      LYS  19  -0.813   0.010   9.667
  135    HZ2  LYS  19           1HZ      LYS  19   0.446   0.849   8.915
  136    HZ3  LYS  19           2HZ      LYS  19  -0.502  -0.235   8.028
  137    H    VAL  20           H        VAL  20   2.038   1.693   2.685
  138    HA   VAL  20           HA       VAL  20   2.765   4.282   3.685
  139    HB   VAL  20           HB       VAL  20   3.423   4.726   1.295
  140   HG11  VAL  20          1HG1      VAL  20   4.511   2.671   3.092
  141   HG12  VAL  20          2HG1      VAL  20   5.297   4.063   2.348
  142   HG13  VAL  20          3HG1      VAL  20   5.078   2.577   1.425
  143   HG21  VAL  20          3HG2      VAL  20   2.691   1.823   0.911
  144   HG22  VAL  20          1HG2      VAL  20   3.433   2.887  -0.278
  145   HG23  VAL  20          2HG2      VAL  20   1.784   3.187   0.260
  146    H    GLY  21           H        GLY  21   0.118   4.057   4.126
  147    HA2  GLY  21           2HA      GLY  21  -1.339   6.039   3.803
  148    HA3  GLY  21           1HA      GLY  21  -1.106   5.801   2.076
  149    H    SER  22           H        SER  22  -3.448   5.677   1.914
  150    HA   SER  22           HA       SER  22  -4.368   3.034   1.785
  151    HB2  SER  22           2HB      SER  22  -6.186   3.240   3.555
  152    HB3  SER  22           1HB      SER  22  -4.551   2.982   4.146
  153    HG   SER  22           HG       SER  22  -4.411   5.229   4.539
  154    H    CYS  23           H        CYS  23  -6.138   2.875   0.554
  155    HA   CYS  23           HA       CYS  23  -7.063   5.140  -0.855
  156    HB2  CYS  23           2HB      CYS  23  -7.898   2.271  -0.700
  157    HB3  CYS  23           1HB      CYS  23  -9.001   3.420  -1.444
  158    H    PHE  24           H        PHE  24  -8.326   3.324   1.874
  159    HA   PHE  24           HA       PHE  24  -9.709   5.512   2.965
  160    HB2  PHE  24           2HB      PHE  24 -11.285   5.129   1.138
  161    HB3  PHE  24           1HB      PHE  24 -11.458   3.445   1.613
  162    HD1  PHE  24           1HD      PHE  24 -11.431   6.573   3.637
  163    HD2  PHE  24           2HD      PHE  24 -13.631   3.164   2.351
  164    HE1  PHE  24           1HE      PHE  24 -13.265   7.190   5.147
  165    HE2  PHE  24           2HE      PHE  24 -15.472   3.781   3.859
  166    HZ   PHE  24           HZ       PHE  24 -15.292   5.796   5.261
  167    H    GLY  25           H        GLY  25  -7.969   4.067   4.161
  168    HA2  GLY  25           2HA      GLY  25  -7.777   3.092   6.273
  169    HA3  GLY  25           1HA      GLY  25  -9.474   2.638   6.192
  170    H    PHE  26           H        PHE  26  -9.802   0.541   6.111
  171    HA   PHE  26           HA       PHE  26  -8.283  -1.557   6.199
  172    HB2  PHE  26           2HB      PHE  26 -10.629  -1.896   5.986
  173    HB3  PHE  26           1HB      PHE  26 -10.645  -1.253   4.347
  174    HD1  PHE  26           1HD      PHE  26  -8.710  -3.904   6.141
  175    HD2  PHE  26           2HD      PHE  26 -11.081  -2.845   2.768
  176    HE1  PHE  26           1HE      PHE  26  -8.432  -6.175   5.237
  177    HE2  PHE  26           2HE      PHE  26 -10.809  -5.115   1.860
  178    HZ   PHE  26           HZ       PHE  26  -9.483  -6.782   3.093
  179    H    ARG  27           H        ARG  27  -8.945  -0.062   3.045
  180    HA   ARG  27           HA       ARG  27  -7.108  -1.748   1.658
  181    HB2  ARG  27           2HB      ARG  27  -8.452   0.817   0.811
  182    HB3  ARG  27           1HB      ARG  27  -7.483  -0.196  -0.236
  183    HG2  ARG  27           2HG      ARG  27  -9.075  -2.058   0.232
  184    HG3  ARG  27           1HG      ARG  27 -10.112  -0.865   1.019
  185    HD2  ARG  27           2HD      ARG  27  -9.973   0.468  -1.125
  186    HD3  ARG  27           1HD      ARG  27  -9.225  -0.947  -1.852
  187    HE   ARG  27           HE       ARG  27 -11.610  -1.738  -0.622
  188   HH11  ARG  27          1HH1      ARG  27 -10.547   0.184  -3.349
  189   HH12  ARG  27          2HH1      ARG  27 -11.968  -0.143  -4.288
  190   HH21  ARG  27          1HH2      ARG  27 -13.467  -2.164  -1.853
  191   HH22  ARG  27          2HH2      ARG  27 -13.627  -1.475  -3.436
  192    H    SER  28           H        SER  28  -5.498  -1.074   3.493
  193    HA   SER  28           HA       SER  28  -4.133   1.346   3.419
  194    HB2  SER  28           2HB      SER  28  -2.197  -0.208   4.287
  195    HB3  SER  28           1HB      SER  28  -3.638   0.041   5.272
  196    HG   SER  28           HG       SER  28  -3.669  -2.070   5.235
  197    H    CYS  29           H        CYS  29  -2.749   2.225   2.014
  198    HA   CYS  29           HA       CYS  29  -2.240   1.084  -0.494
  199    HB2  CYS  29           2HB      CYS  29  -0.846   3.378   0.900
  200    HB3  CYS  29           1HB      CYS  29  -0.717   3.014  -0.818
  201    H    CYS  30           H        CYS  30  -1.312  -0.861  -0.413
  202    HA   CYS  30           HA       CYS  30   0.943  -1.526   1.195
  203    HB2  CYS  30           2HB      CYS  30   0.114  -3.144  -1.182
  204    HB3  CYS  30           1HB      CYS  30   0.648  -3.682   0.399
  205    H    LYS  31           H        LYS  31   3.068  -1.549   0.691
  206    HA   LYS  31           HA       LYS  31   3.952  -1.604  -2.043
  207    HB2  LYS  31           2HB      LYS  31   3.694   0.811  -1.770
  208    HB3  LYS  31           1HB      LYS  31   4.704   0.777  -0.330
  209    HG2  LYS  31           2HG      LYS  31   6.594   0.010  -1.673
  210    HG3  LYS  31           1HG      LYS  31   5.573   0.004  -3.111
  211    HD2  LYS  31           2HD      LYS  31   7.034   1.976  -2.982
  212    HD3  LYS  31           1HD      LYS  31   5.332   2.400  -2.999
  213    HE2  LYS  31           2HE      LYS  31   5.377   2.773  -0.604
  214    HE3  LYS  31           1HE      LYS  31   7.053   2.234  -0.529
  215    HZ1  LYS  31           3HZ      LYS  31   7.275   4.502  -0.590
  216    HZ2  LYS  31           1HZ      LYS  31   5.956   4.732  -1.618
  217    HZ3  LYS  31           2HZ      LYS  31   7.411   4.131  -2.230
  218    H    TRP  32           H        TRP  32   6.035  -2.313  -2.252
  219    HA   TRP  32           HA       TRP  32   6.990  -3.936  -0.160
  220    HB2  TRP  32           2HB      TRP  32   8.549  -3.019  -2.582
  221    HB3  TRP  32           1HB      TRP  32   8.857  -4.445  -1.600
  222    HD1  TRP  32           HD       TRP  32   6.245  -3.088  -4.098
  223    HE1  TRP  32           1HE      TRP  32   5.070  -5.093  -5.204
  224    HE3  TRP  32           3HE      TRP  32   8.353  -6.862  -1.369
  225    HZ2  TRP  32           2HZ      TRP  32   5.036  -7.905  -4.943
  226    HZ3  TRP  32           3HZ      TRP  32   7.692  -9.182  -1.857
  227    HH2  TRP  32           HH       TRP  32   6.067  -9.690  -3.608
  228    HA   PRO  33           HA       PRO  33   9.141  -1.162   2.521
  229    HB2  PRO  33           2HB      PRO  33  11.219  -3.314   2.426
  230    HB3  PRO  33           1HB      PRO  33  10.530  -2.480   3.824
  231    HG2  PRO  33           2HG      PRO  33   9.753  -4.951   3.171
  232    HG3  PRO  33           1HG      PRO  33   8.605  -3.761   3.810
  233    HD2  PRO  33           2HD      PRO  33   8.909  -4.803   1.052
  234    HD3  PRO  33           1HD      PRO  33   7.469  -4.167   1.870
  235    H    TRP  34           H        TRP  34  11.283  -2.941   0.298
  236    HA   TRP  34           HA       TRP  34  12.762  -0.460  -0.176
  237    HB2  TRP  34           2HB      TRP  34  14.303  -2.242  -1.405
  238    HB3  TRP  34           1HB      TRP  34  14.388  -1.950   0.320
  239    HD1  TRP  34           HD       TRP  34  14.922  -4.197   1.354
  240    HE1  TRP  34           1HE      TRP  34  13.968  -6.579   1.221
  241    HE3  TRP  34           3HE      TRP  34  11.482  -3.496  -2.370
  242    HZ2  TRP  34           2HZ      TRP  34  12.023  -7.974  -0.258
  243    HZ3  TRP  34           3HZ      TRP  34  10.121  -5.412  -3.084
  244    HH2  TRP  34           HH       TRP  34  10.387  -7.605  -2.049
  245    H    ASN  35           H        ASN  35  10.270  -0.642  -1.320
  246    HA   ASN  35           HA       ASN  35  10.225  -1.585  -3.972
  247    HB2  ASN  35           2HB      ASN  35   8.171  -0.957  -2.816
  248    HB3  ASN  35           1HB      ASN  35   8.705   0.718  -2.728
  249   HD21  ASN  35          1HD2      ASN  35   8.180   2.045  -4.348
  250   HD22  ASN  35          2HD2      ASN  35   7.490   1.550  -5.856
  251    H    ALA  36           H        ALA  36  11.384   1.361  -2.531
  252    HA   ALA  36           HA       ALA  36  12.819   2.952  -3.298
  253    HB1  ALA  36           1HB      ALA  36  13.632   0.929  -4.771
  254    HB2  ALA  36           2HB      ALA  36  14.163   2.573  -5.117
  255    HB3  ALA  36           3HB      ALA  36  12.866   1.849  -6.066
  Start of MODEL    7
    1    H1   LEU   1           1HT      LEU   1   7.363   8.520  -2.337
    2    H2   LEU   1           2HT      LEU   1   8.190   7.224  -1.637
    3    H3   LEU   1           3HT      LEU   1   7.637   8.491  -0.673
    4    HA   LEU   1           HA       LEU   1   5.604   7.176  -2.237
    5    HB2  LEU   1           2HB      LEU   1   7.092   5.799  -0.003
    6    HB3  LEU   1           1HB      LEU   1   5.472   5.342  -0.485
    7    HG   LEU   1           HG       LEU   1   6.952   3.806  -1.516
    8   HD11  LEU   1          2HD1      LEU   1   5.121   5.097  -2.917
    9   HD12  LEU   1          3HD1      LEU   1   6.180   3.892  -3.651
   10   HD13  LEU   1          1HD1      LEU   1   6.537   5.609  -3.835
   11   HD21  LEU   1          1HD2      LEU   1   8.921   4.295  -2.632
   12   HD22  LEU   1          2HD2      LEU   1   8.938   5.435  -1.287
   13   HD23  LEU   1          3HD2      LEU   1   8.475   5.979  -2.900
   14    H    PHE   2           H        PHE   2   3.631   7.557  -1.328
   15    HA   PHE   2           HA       PHE   2   3.321   8.416   1.390
   16    HB2  PHE   2           2HB      PHE   2   2.339  10.666   0.684
   17    HB3  PHE   2           1HB      PHE   2   4.091  10.523   0.631
   18    HD1  PHE   2           2HD      PHE   2   1.159   9.971  -1.634
   19    HD2  PHE   2           1HD      PHE   2   5.153  11.374  -1.204
   20    HE1  PHE   2           2HE      PHE   2   1.154  10.689  -3.980
   21    HE2  PHE   2           1HE      PHE   2   5.153  12.099  -3.553
   22    HZ   PHE   2           HZ       PHE   2   3.152  11.755  -4.946
   23    H    CYS   3           H        CYS   3   2.282   6.362  -0.280
   24    HA   CYS   3           HA       CYS   3   0.327   5.264  -0.608
   25    HB2  CYS   3           2HB      CYS   3  -0.248   6.404   1.603
   26    HB3  CYS   3           1HB      CYS   3  -1.092   7.613   0.649
   27    H    LYS   4           H        LYS   4  -2.137   6.026  -1.453
   28    HA   LYS   4           HA       LYS   4  -3.108   6.400  -3.503
   29    HB2  LYS   4           2HB      LYS   4  -3.432   8.502  -2.183
   30    HB3  LYS   4           1HB      LYS   4  -2.015   9.170  -2.977
   31    HG2  LYS   4           2HG      LYS   4  -3.114   9.079  -5.118
   32    HG3  LYS   4           1HG      LYS   4  -4.495   8.246  -4.413
   33    HD2  LYS   4           2HD      LYS   4  -5.035  10.577  -4.723
   34    HD3  LYS   4           1HD      LYS   4  -4.922  10.229  -2.997
   35    HE2  LYS   4           2HE      LYS   4  -2.640  11.142  -2.981
   36    HE3  LYS   4           1HE      LYS   4  -2.787  11.514  -4.697
   37    HZ1  LYS   4           3HZ      LYS   4  -4.696  12.948  -4.114
   38    HZ2  LYS   4           1HZ      LYS   4  -3.236  13.475  -3.450
   39    HZ3  LYS   4           2HZ      LYS   4  -4.369  12.682  -2.482
   40    H    GLY   5           H        GLY   5  -0.814   5.164  -3.984
   41    HA2  GLY   5           2HA      GLY   5  -0.172   5.845  -6.623
   42    HA3  GLY   5           1HA      GLY   5   1.084   6.496  -5.575
   43    H    GLY   6           H        GLY   6  -0.801   3.494  -5.463
   44    HA2  GLY   6           2HA      GLY   6   1.191   1.762  -6.354
   45    HA3  GLY   6           1HA      GLY   6   1.393   1.927  -4.618
   46    H    SER   7           H        SER   7   0.929  -0.390  -4.626
   47    HA   SER   7           HA       SER   7  -1.694  -1.272  -5.346
   48    HB2  SER   7           2HB      SER   7   0.422  -2.652  -3.683
   49    HB3  SER   7           1HB      SER   7  -0.995  -3.417  -4.404
   50    HG   SER   7           HG       SER   7  -0.126  -3.242  -6.373
   51    H    CYS   8           H        CYS   8  -3.319  -0.363  -4.234
   52    HA   CYS   8           HA       CYS   8  -3.202   0.160  -1.414
   53    HB2  CYS   8           2HB      CYS   8  -5.692   0.061  -3.111
   54    HB3  CYS   8           1HB      CYS   8  -5.403   0.994  -1.651
   55    H    HIS   9           H        HIS   9  -4.277  -0.995   0.239
   56    HA   HIS   9           HA       HIS   9  -4.208  -3.764   0.028
   57    HB2  HIS   9           2HB      HIS   9  -5.211  -1.895   2.077
   58    HB3  HIS   9           1HB      HIS   9  -5.794  -3.547   2.178
   59    HD1  HIS   9           1HD      HIS   9  -4.466  -3.900   4.384
   60    HD2  HIS   9           2HD      HIS   9  -2.138  -2.935   1.092
   61    HE1  HIS   9           1HE      HIS   9  -2.099  -4.368   5.080
   62    HE2  HIS   9           2HE      HIS   9  -0.738  -3.999   2.991
   63    H    PHE  10           H        PHE  10  -5.476  -3.945  -2.015
   64    HA   PHE  10           HA       PHE  10  -8.359  -3.929  -1.678
   65    HB2  PHE  10           2HB      PHE  10  -6.501  -4.305  -3.984
   66    HB3  PHE  10           1HB      PHE  10  -8.093  -5.048  -4.084
   67    HD1  PHE  10           1HD      PHE  10  -6.620  -1.760  -3.090
   68    HD2  PHE  10           2HD      PHE  10  -9.713  -3.841  -5.137
   69    HE1  PHE  10           1HE      PHE  10  -7.589   0.387  -3.802
   70    HE2  PHE  10           2HE      PHE  10 -10.685  -1.701  -5.853
   71    HZ   PHE  10           HZ       PHE  10  -9.622   0.416  -5.187
   72    H    GLY  11           H        GLY  11  -6.879  -5.548   0.065
   73    HA2  GLY  11           2HA      GLY  11  -6.875  -7.677   0.927
   74    HA3  GLY  11           1HA      GLY  11  -8.280  -7.974  -0.088
   75    H    GLY  12           H        GLY  12  -4.967  -7.163  -1.066
   76    HA2  GLY  12           2HA      GLY  12  -4.185  -9.793  -1.735
   77    HA3  GLY  12           1HA      GLY  12  -4.884  -9.026  -3.152
   78    H    CYS  13           H        CYS  13  -2.755  -7.848  -0.545
   79    HA   CYS  13           HA       CYS  13  -1.170  -6.371  -2.421
   80    HB2  CYS  13           2HB      CYS  13  -1.164  -6.741   0.538
   81    HB3  CYS  13           1HB      CYS  13   0.318  -6.172  -0.223
   82    HA   PRO  14           HA       PRO  14   1.770  -9.246  -3.967
   83    HB2  PRO  14           2HB      PRO  14   3.729  -7.260  -2.881
   84    HB3  PRO  14           1HB      PRO  14   3.697  -8.056  -4.457
   85    HG2  PRO  14           2HG      PRO  14   2.835  -5.529  -4.117
   86    HG3  PRO  14           1HG      PRO  14   2.110  -6.626  -5.300
   87    HD2  PRO  14           2HD      PRO  14   0.994  -5.591  -2.791
   88    HD3  PRO  14           1HD      PRO  14   0.164  -6.328  -4.172
   89    H    SER  15           H        SER  15   2.531  -7.805  -0.797
   90    HA   SER  15           HA       SER  15   2.786 -10.337   0.448
   91    HB2  SER  15           2HB      SER  15   4.928 -10.251  -0.864
   92    HB3  SER  15           1HB      SER  15   5.380  -8.823   0.059
   93    HG   SER  15           HG       SER  15   4.909 -11.442   1.058
   94    H    HIS  16           H        HIS  16   4.745  -9.412   2.402
   95    HA   HIS  16           HA       HIS  16   2.982  -7.958   4.117
   96    HB2  HIS  16           2HB      HIS  16   4.769  -8.129   5.770
   97    HB3  HIS  16           1HB      HIS  16   4.518  -9.675   4.972
   98    HD1  HIS  16           1HD      HIS  16   6.885  -6.704   4.778
   99    HD2  HIS  16           2HD      HIS  16   6.790 -10.781   3.983
  100    HE1  HIS  16           1HE      HIS  16   9.225  -7.313   4.101
  101    HE2  HIS  16           2HE      HIS  16   9.121  -9.762   3.524
  102    H    LEU  17           H        LEU  17   3.424  -6.414   1.881
  103    HA   LEU  17           HA       LEU  17   5.464  -4.507   2.103
  104    HB2  LEU  17           2HB      LEU  17   2.708  -4.144   0.930
  105    HB3  LEU  17           1HB      LEU  17   4.116  -3.162   0.585
  106    HG   LEU  17           HG       LEU  17   3.720  -6.058  -0.173
  107   HD11  LEU  17          1HD1      LEU  17   2.479  -4.791  -1.676
  108   HD12  LEU  17          2HD1      LEU  17   4.029  -5.003  -2.489
  109   HD13  LEU  17          3HD1      LEU  17   3.654  -3.476  -1.691
  110   HD21  LEU  17          3HD2      LEU  17   6.063  -5.567   0.437
  111   HD22  LEU  17          1HD2      LEU  17   6.074  -4.267  -0.754
  112   HD23  LEU  17          2HD2      LEU  17   5.864  -5.937  -1.275
  113    H    ILE  18           H        ILE  18   5.632  -2.628   3.219
  114    HA   ILE  18           HA       ILE  18   4.098  -2.302   5.569
  115    HB   ILE  18           HB       ILE  18   5.304  -0.141   5.828
  116   HG12  ILE  18          2HG1      ILE  18   6.644  -0.901   3.225
  117   HG13  ILE  18          1HG1      ILE  18   5.466   0.394   3.399
  118   HG21  ILE  18          1HG2      ILE  18   7.256  -1.142   6.497
  119   HG22  ILE  18          2HG2      ILE  18   7.352  -2.163   5.063
  120   HG23  ILE  18          3HG2      ILE  18   6.200  -2.546   6.343
  121   HD11  ILE  18          3HD1      ILE  18   7.914   0.414   5.093
  122   HD12  ILE  18          1HD1      ILE  18   6.938   1.758   4.505
  123   HD13  ILE  18          2HD1      ILE  18   8.017   0.905   3.402
  124    H    LYS  19           H        LYS  19   2.462  -0.925   6.090
  125    HA   LYS  19           HA       LYS  19   0.878   0.067   3.920
  126    HB2  LYS  19           2HB      LYS  19  -0.418  -0.774   5.684
  127    HB3  LYS  19           1HB      LYS  19   0.538   0.066   6.904
  128    HG2  LYS  19           2HG      LYS  19  -0.392   2.194   6.201
  129    HG3  LYS  19           1HG      LYS  19  -1.274   1.398   4.904
  130    HD2  LYS  19           2HD      LYS  19  -2.809   1.795   6.673
  131    HD3  LYS  19           1HD      LYS  19  -2.464   0.067   6.658
  132    HE2  LYS  19           2HE      LYS  19  -1.062   2.023   8.465
  133    HE3  LYS  19           1HE      LYS  19  -2.514   1.148   8.934
  134    HZ1  LYS  19           3HZ      LYS  19  -1.185  -0.477   9.580
  135    HZ2  LYS  19           1HZ      LYS  19   0.177   0.270   8.918
  136    HZ3  LYS  19           2HZ      LYS  19  -0.776  -0.749   7.967
  137    H    VAL  20           H        VAL  20   1.924   1.682   2.906
  138    HA   VAL  20           HA       VAL  20   3.288   3.811   4.178
  139    HB   VAL  20           HB       VAL  20   2.029   3.816   1.429
  140   HG11  VAL  20          1HG1      VAL  20   4.270   5.417   2.642
  141   HG12  VAL  20          2HG1      VAL  20   2.720   6.015   2.048
  142   HG13  VAL  20          3HG1      VAL  20   3.909   5.368   0.917
  143   HG21  VAL  20          3HG2      VAL  20   4.588   3.247   0.934
  144   HG22  VAL  20          1HG2      VAL  20   3.358   2.005   1.170
  145   HG23  VAL  20          2HG2      VAL  20   4.425   2.456   2.501
  146    H    GLY  21           H        GLY  21   0.000   3.248   3.262
  147    HA2  GLY  21           2HA      GLY  21  -1.108   5.173   4.968
  148    HA3  GLY  21           1HA      GLY  21  -1.046   5.847   3.342
  149    H    SER  22           H        SER  22  -3.184   5.758   2.711
  150    HA   SER  22           HA       SER  22  -4.208   3.154   2.099
  151    HB2  SER  22           2HB      SER  22  -5.747   4.839   4.075
  152    HB3  SER  22           1HB      SER  22  -6.301   3.330   3.358
  153    HG   SER  22           HG       SER  22  -3.892   3.483   4.837
  154    H    CYS  23           H        CYS  23  -5.717   3.152   0.552
  155    HA   CYS  23           HA       CYS  23  -6.275   5.701  -0.770
  156    HB2  CYS  23           2HB      CYS  23  -6.778   2.903  -1.838
  157    HB3  CYS  23           1HB      CYS  23  -6.710   4.408  -2.751
  158    H    PHE  24           H        PHE  24  -8.628   4.892  -2.161
  159    HA   PHE  24           HA       PHE  24 -10.567   5.401  -0.163
  160    HB2  PHE  24           2HB      PHE  24 -10.709   4.715  -3.071
  161    HB3  PHE  24           1HB      PHE  24 -12.172   4.643  -2.097
  162    HD1  PHE  24           2HD      PHE  24  -9.531   6.858  -3.385
  163    HD2  PHE  24           1HD      PHE  24 -13.237   6.590  -1.311
  164    HE1  PHE  24           2HE      PHE  24  -9.835   9.288  -3.631
  165    HE2  PHE  24           1HE      PHE  24 -13.552   9.021  -1.561
  166    HZ   PHE  24           HZ       PHE  24 -11.848  10.371  -2.717
  167    H    GLY  25           H        GLY  25 -11.825   4.105   0.995
  168    HA2  GLY  25           2HA      GLY  25 -12.908   2.188   1.669
  169    HA3  GLY  25           1HA      GLY  25 -12.239   1.343   0.285
  170    H    PHE  26           H        PHE  26 -10.603   3.063   2.924
  171    HA   PHE  26           HA       PHE  26  -8.920   2.426   4.330
  172    HB2  PHE  26           2HB      PHE  26 -10.847   1.315   5.385
  173    HB3  PHE  26           1HB      PHE  26 -10.570  -0.112   4.395
  174    HD1  PHE  26           2HD      PHE  26  -8.599   2.087   6.680
  175    HD2  PHE  26           1HD      PHE  26  -9.552  -1.870   5.448
  176    HE1  PHE  26           2HE      PHE  26  -7.109   1.190   8.411
  177    HE2  PHE  26           1HE      PHE  26  -8.062  -2.775   7.182
  178    HZ   PHE  26           HZ       PHE  26  -6.835  -1.243   8.666
  179    H    ARG  27           H        ARG  27  -8.691   1.715   1.415
  180    HA   ARG  27           HA       ARG  27  -7.252  -0.741   1.268
  181    HB2  ARG  27           2HB      ARG  27  -7.301   1.575  -0.658
  182    HB3  ARG  27           1HB      ARG  27  -6.677  -0.028  -0.996
  183    HG2  ARG  27           2HG      ARG  27  -9.501   0.579  -0.255
  184    HG3  ARG  27           1HG      ARG  27  -8.907   0.388  -1.907
  185    HD2  ARG  27           2HD      ARG  27  -8.168  -1.873  -1.355
  186    HD3  ARG  27           1HD      ARG  27  -8.806  -1.674   0.278
  187    HE   ARG  27           HE       ARG  27 -10.734  -1.094  -1.719
  188   HH11  ARG  27          1HH1      ARG  27  -9.225  -3.690   0.076
  189   HH12  ARG  27          2HH1      ARG  27 -10.527  -4.805  -0.187
  190   HH21  ARG  27          1HH2      ARG  27 -12.460  -2.561  -2.065
  191   HH22  ARG  27          2HH2      ARG  27 -12.370  -4.162  -1.407
  192    H    SER  28           H        SER  28  -5.798  -0.328   3.087
  193    HA   SER  28           HA       SER  28  -3.919   1.633   3.307
  194    HB2  SER  28           2HB      SER  28  -3.492  -1.312   3.824
  195    HB3  SER  28           1HB      SER  28  -2.531  -0.003   4.502
  196    HG   SER  28           HG       SER  28  -4.790   0.743   5.226
  197    H    CYS  29           H        CYS  29  -2.348   2.385   2.013
  198    HA   CYS  29           HA       CYS  29  -1.692   1.188  -0.462
  199    HB2  CYS  29           2HB      CYS  29  -0.433   3.435   1.109
  200    HB3  CYS  29           1HB      CYS  29   0.194   2.918  -0.451
  201    H    CYS  30           H        CYS  30  -0.237  -0.324  -0.970
  202    HA   CYS  30           HA       CYS  30   1.589  -1.245   1.125
  203    HB2  CYS  30           2HB      CYS  30   0.397  -2.551  -1.298
  204    HB3  CYS  30           1HB      CYS  30   1.829  -3.220  -0.537
  205    H    LYS  31           H        LYS  31   3.707  -1.211   0.955
  206    HA   LYS  31           HA       LYS  31   5.067  -0.916  -1.580
  207    HB2  LYS  31           2HB      LYS  31   5.373   1.120   0.639
  208    HB3  LYS  31           1HB      LYS  31   6.471   0.972  -0.721
  209    HG2  LYS  31           2HG      LYS  31   3.535   1.614  -0.941
  210    HG3  LYS  31           1HG      LYS  31   4.843   2.795  -0.997
  211    HD2  LYS  31           2HD      LYS  31   5.737   1.756  -3.002
  212    HD3  LYS  31           1HD      LYS  31   4.499   0.500  -2.930
  213    HE2  LYS  31           2HE      LYS  31   2.761   2.174  -3.248
  214    HE3  LYS  31           1HE      LYS  31   3.972   3.450  -3.268
  215    HZ1  LYS  31           3HZ      LYS  31   3.161   2.673  -5.498
  216    HZ2  LYS  31           1HZ      LYS  31   3.974   1.220  -5.216
  217    HZ3  LYS  31           2HZ      LYS  31   4.837   2.668  -5.299
  218    H    TRP  32           H        TRP  32   7.233  -1.668  -1.439
  219    HA   TRP  32           HA       TRP  32   7.620  -3.643   0.531
  220    HB2  TRP  32           2HB      TRP  32   9.712  -2.476  -1.304
  221    HB3  TRP  32           1HB      TRP  32   9.789  -4.024  -0.476
  222    HD1  TRP  32           HD       TRP  32   7.737  -2.283  -3.259
  223    HE1  TRP  32           1HE      TRP  32   6.874  -4.103  -4.866
  224    HE3  TRP  32           3HE      TRP  32   9.345  -6.422  -0.732
  225    HZ2  TRP  32           2HZ      TRP  32   6.860  -6.919  -5.023
  226    HZ3  TRP  32           3HZ      TRP  32   8.861  -8.641  -1.672
  227    HH2  TRP  32           HH       TRP  32   7.643  -8.885  -3.773
  228    HA   PRO  33           HA       PRO  33   9.405  -1.281   3.825
  229    HB2  PRO  33           2HB      PRO  33  10.814  -3.692   4.704
  230    HB3  PRO  33           1HB      PRO  33   9.496  -2.821   5.489
  231    HG2  PRO  33           2HG      PRO  33   9.171  -5.264   4.379
  232    HG3  PRO  33           1HG      PRO  33   7.874  -4.058   4.431
  233    HD2  PRO  33           2HD      PRO  33   9.669  -4.816   2.160
  234    HD3  PRO  33           1HD      PRO  33   7.931  -4.453   2.155
  235    H    TRP  34           H        TRP  34  10.847  -1.399   1.273
  236    HA   TRP  34           HA       TRP  34  13.403  -0.522   2.211
  237    HB2  TRP  34           2HB      TRP  34  14.705  -2.106   0.777
  238    HB3  TRP  34           1HB      TRP  34  13.898  -2.882   2.130
  239    HD1  TRP  34           HD       TRP  34  12.123  -2.052  -1.197
  240    HE1  TRP  34           1HE      TRP  34  11.369  -4.265  -2.275
  241    HE3  TRP  34           3HE      TRP  34  14.326  -5.310   2.052
  242    HZ2  TRP  34           2HZ      TRP  34  11.673  -7.032  -1.802
  243    HZ3  TRP  34           3HZ      TRP  34  14.048  -7.728   1.672
  244    HH2  TRP  34           HH       TRP  34  12.748  -8.568  -0.215
  245    H    ASN  35           H        ASN  35  11.013   0.338   0.717
  246    HA   ASN  35           HA       ASN  35  11.915   0.774  -1.994
  247    HB2  ASN  35           2HB      ASN  35   9.468   1.594  -0.442
  248    HB3  ASN  35           1HB      ASN  35   9.804   2.272  -2.029
  249   HD21  ASN  35          1HD2      ASN  35  11.110  -0.574  -2.470
  250   HD22  ASN  35          2HD2      ASN  35   9.746  -1.504  -2.974
  251    H    ALA  36           H        ALA  36  13.844   1.690  -0.447
  252    HA   ALA  36           HA       ALA  36  14.015   4.447  -1.163
  253    HB1  ALA  36           1HB      ALA  36  14.491   4.209   1.730
  254    HB2  ALA  36           2HB      ALA  36  12.800   4.093   1.245
  255    HB3  ALA  36           3HB      ALA  36  13.747   5.514   0.806
  Start of MODEL    8
    1    H1   LEU   1           1HT      LEU   1   3.114   1.302  -8.037
    2    H2   LEU   1           2HT      LEU   1   3.004   2.983  -7.940
    3    H3   LEU   1           3HT      LEU   1   2.062   2.139  -9.057
    4    HA   LEU   1           HA       LEU   1   1.091   0.948  -7.034
    5    HB2  LEU   1           2HB      LEU   1   2.133   3.514  -5.811
    6    HB3  LEU   1           1HB      LEU   1   1.099   2.347  -5.016
    7    HG   LEU   1           HG       LEU   1   3.284   2.020  -4.151
    8   HD11  LEU   1          2HD1      LEU   1   3.852  -0.268  -4.945
    9   HD12  LEU   1          3HD1      LEU   1   2.673  -0.074  -6.239
   10   HD13  LEU   1          1HD1      LEU   1   2.147  -0.056  -4.557
   11   HD21  LEU   1          1HD2      LEU   1   4.601   1.387  -6.709
   12   HD22  LEU   1          2HD2      LEU   1   5.217   2.218  -5.282
   13   HD23  LEU   1          3HD2      LEU   1   4.220   3.089  -6.447
   14    H    PHE   2           H        PHE   2  -1.043   1.251  -7.313
   15    HA   PHE   2           HA       PHE   2  -2.050   3.289  -8.942
   16    HB2  PHE   2           2HB      PHE   2  -3.567   1.579  -6.971
   17    HB3  PHE   2           1HB      PHE   2  -4.283   2.513  -8.278
   18    HD1  PHE   2           2HD      PHE   2  -1.791  -0.203  -7.693
   19    HD2  PHE   2           1HD      PHE   2  -4.693   1.502 -10.294
   20    HE1  PHE   2           2HE      PHE   2  -1.565  -2.127  -9.205
   21    HE2  PHE   2           1HE      PHE   2  -4.478  -0.428 -11.802
   22    HZ   PHE   2           HZ       PHE   2  -2.912  -2.242 -11.260
   23    H    CYS   3           H        CYS   3  -2.382   2.835  -5.479
   24    HA   CYS   3           HA       CYS   3  -3.555   5.392  -5.027
   25    HB2  CYS   3           2HB      CYS   3  -4.154   3.996  -3.307
   26    HB3  CYS   3           1HB      CYS   3  -2.618   3.146  -3.317
   27    H    LYS   4           H        LYS   4  -2.624   7.209  -4.160
   28    HA   LYS   4           HA       LYS   4  -0.002   7.824  -4.971
   29    HB2  LYS   4           2HB      LYS   4  -1.771   9.517  -4.754
   30    HB3  LYS   4           1HB      LYS   4  -1.790   9.280  -3.012
   31    HG2  LYS   4           2HG      LYS   4   0.553  10.053  -2.917
   32    HG3  LYS   4           1HG      LYS   4   0.487  10.368  -4.649
   33    HD2  LYS   4           2HD      LYS   4  -1.196  12.032  -4.356
   34    HD3  LYS   4           1HD      LYS   4  -1.383  11.620  -2.651
   35    HE2  LYS   4           2HE      LYS   4   1.097  12.762  -3.930
   36    HE3  LYS   4           1HE      LYS   4  -0.063  13.662  -2.957
   37    HZ1  LYS   4           3HZ      LYS   4   1.661  13.117  -1.510
   38    HZ2  LYS   4           1HZ      LYS   4   1.792  11.537  -2.088
   39    HZ3  LYS   4           2HZ      LYS   4   0.461  11.984  -1.153
   40    H    GLY   5           H        GLY   5   0.986   5.909  -3.910
   41    HA2  GLY   5           2HA      GLY   5   2.806   6.393  -2.034
   42    HA3  GLY   5           1HA      GLY   5   1.389   6.091  -1.036
   43    H    GLY   6           H        GLY   6   0.114   4.086  -2.160
   44    HA2  GLY   6           2HA      GLY   6   1.775   1.953  -3.076
   45    HA3  GLY   6           1HA      GLY   6   1.397   1.792  -1.370
   46    H    SER   7           H        SER   7   0.576   0.261  -3.863
   47    HA   SER   7           HA       SER   7  -2.076   0.631  -4.503
   48    HB2  SER   7           2HB      SER   7  -0.684  -2.031  -4.158
   49    HB3  SER   7           1HB      SER   7  -2.081  -1.697  -5.184
   50    HG   SER   7           HG       SER   7   0.000  -1.713  -6.280
   51    H    CYS   8           H        CYS   8  -4.008   0.166  -3.572
   52    HA   CYS   8           HA       CYS   8  -4.289   0.102  -0.826
   53    HB2  CYS   8           2HB      CYS   8  -6.413  -1.191  -2.467
   54    HB3  CYS   8           1HB      CYS   8  -6.549  -0.007  -1.179
   55    H    HIS   9           H        HIS   9  -4.627  -1.477   0.701
   56    HA   HIS   9           HA       HIS   9  -3.423  -3.993   0.317
   57    HB2  HIS   9           2HB      HIS   9  -5.072  -2.801   2.501
   58    HB3  HIS   9           1HB      HIS   9  -4.721  -4.512   2.546
   59    HD1  HIS   9           1HD      HIS   9  -3.542  -3.755   4.849
   60    HD2  HIS   9           2HD      HIS   9  -1.726  -2.498   1.339
   61    HE1  HIS   9           1HE      HIS   9  -1.215  -3.084   5.506
   62    HE2  HIS   9           2HE      HIS   9  -0.069  -2.558   3.332
   63    H    PHE  10           H        PHE  10  -4.548  -4.750  -1.587
   64    HA   PHE  10           HA       PHE  10  -7.311  -5.251  -1.730
   65    HB2  PHE  10           2HB      PHE  10  -4.989  -6.621  -3.106
   66    HB3  PHE  10           1HB      PHE  10  -6.673  -6.890  -3.522
   67    HD1  PHE  10           1HD      PHE  10  -6.586  -3.540  -2.711
   68    HD2  PHE  10           2HD      PHE  10  -5.218  -6.234  -5.710
   69    HE1  PHE  10           1HE      PHE  10  -6.469  -1.688  -4.326
   70    HE2  PHE  10           2HE      PHE  10  -5.099  -4.386  -7.319
   71    HZ   PHE  10           HZ       PHE  10  -5.726  -2.110  -6.632
   72    H    GLY  11           H        GLY  11  -7.398  -6.067   0.615
   73    HA2  GLY  11           2HA      GLY  11  -8.040  -7.837   1.952
   74    HA3  GLY  11           1HA      GLY  11  -7.769  -8.913   0.586
   75    H    GLY  12           H        GLY  12  -5.156  -8.355   0.018
   76    HA2  GLY  12           2HA      GLY  12  -3.449  -8.482   2.290
   77    HA3  GLY  12           1HA      GLY  12  -3.682 -10.065   1.551
   78    H    CYS  13           H        CYS  13  -2.105  -7.054   1.336
   79    HA   CYS  13           HA       CYS  13  -1.476  -6.725  -1.293
   80    HB2  CYS  13           2HB      CYS  13   0.381  -6.393   1.072
   81    HB3  CYS  13           1HB      CYS  13   0.643  -5.703  -0.524
   82    HA   PRO  14           HA       PRO  14   0.659 -10.038  -3.214
   83    HB2  PRO  14           2HB      PRO  14   2.932  -8.078  -3.281
   84    HB3  PRO  14           1HB      PRO  14   2.363  -9.174  -4.545
   85    HG2  PRO  14           2HG      PRO  14   1.673  -6.581  -4.525
   86    HG3  PRO  14           1HG      PRO  14   0.563  -7.843  -5.089
   87    HD2  PRO  14           2HD      PRO  14   0.427  -6.192  -2.666
   88    HD3  PRO  14           1HD      PRO  14  -0.843  -7.153  -3.444
   89    H    SER  15           H        SER  15   2.329  -8.281  -0.659
   90    HA   SER  15           HA       SER  15   3.111 -10.710   0.621
   91    HB2  SER  15           2HB      SER  15   4.875 -10.524  -1.127
   92    HB3  SER  15           1HB      SER  15   5.312  -8.940  -0.492
   93    HG   SER  15           HG       SER  15   6.359  -9.857   1.090
   94    H    HIS  16           H        HIS  16   1.486  -8.860   1.594
   95    HA   HIS  16           HA       HIS  16   1.133  -7.241   3.180
   96    HB2  HIS  16           2HB      HIS  16   1.765  -9.195   4.557
   97    HB3  HIS  16           1HB      HIS  16   3.452  -8.703   4.474
   98    HD1  HIS  16           1HD      HIS  16   2.584  -8.930   7.224
   99    HD2  HIS  16           2HD      HIS  16   1.768  -5.482   5.058
  100    HE1  HIS  16           1HE      HIS  16   2.202  -7.136   8.937
  101    HE2  HIS  16           2HE      HIS  16   1.861  -5.032   7.600
  102    H    LEU  17           H        LEU  17   2.467  -6.182   1.139
  103    HA   LEU  17           HA       LEU  17   4.936  -5.015   1.567
  104    HB2  LEU  17           2HB      LEU  17   2.722  -3.563   0.159
  105    HB3  LEU  17           1HB      LEU  17   4.432  -3.546  -0.187
  106    HG   LEU  17           HG       LEU  17   2.525  -5.810  -0.720
  107   HD11  LEU  17          1HD1      LEU  17   3.092  -5.330  -3.078
  108   HD12  LEU  17          2HD1      LEU  17   3.987  -3.909  -2.538
  109   HD13  LEU  17          3HD1      LEU  17   2.245  -4.005  -2.277
  110   HD21  LEU  17          3HD2      LEU  17   4.606  -6.795  -0.135
  111   HD22  LEU  17          1HD2      LEU  17   5.505  -5.616  -1.087
  112   HD23  LEU  17          2HD2      LEU  17   4.497  -6.817  -1.893
  113    H    ILE  18           H        ILE  18   5.623  -3.125   2.507
  114    HA   ILE  18           HA       ILE  18   4.466  -2.264   4.834
  115    HB   ILE  18           HB       ILE  18   5.829  -0.182   4.614
  116   HG12  ILE  18          2HG1      ILE  18   6.687  -1.392   1.977
  117   HG13  ILE  18          1HG1      ILE  18   5.636   0.010   2.132
  118   HG21  ILE  18          1HG2      ILE  18   8.036  -1.426   4.480
  119   HG22  ILE  18          2HG2      ILE  18   7.084  -2.870   4.135
  120   HG23  ILE  18          3HG2      ILE  18   6.868  -2.015   5.661
  121   HD11  ILE  18          3HD1      ILE  18   8.001   0.545   1.624
  122   HD12  ILE  18          1HD1      ILE  18   8.443  -0.116   3.199
  123   HD13  ILE  18          2HD1      ILE  18   7.394   1.298   3.099
  124    H    LYS  19           H        LYS  19   2.782  -1.033   5.356
  125    HA   LYS  19           HA       LYS  19   1.069  -0.012   3.341
  126    HB2  LYS  19           2HB      LYS  19   0.001  -0.787   5.297
  127    HB3  LYS  19           1HB      LYS  19   1.060   0.152   6.346
  128    HG2  LYS  19           2HG      LYS  19  -0.016   2.207   5.624
  129    HG3  LYS  19           1HG      LYS  19  -1.027   1.299   4.498
  130    HD2  LYS  19           2HD      LYS  19  -2.282   1.806   6.510
  131    HD3  LYS  19           1HD      LYS  19  -2.001   0.070   6.403
  132    HE2  LYS  19           2HE      LYS  19  -0.107   0.312   7.965
  133    HE3  LYS  19           1HE      LYS  19  -0.466   2.032   8.103
  134    HZ1  LYS  19           3HZ      LYS  19  -2.500   1.573   9.159
  135    HZ2  LYS  19           1HZ      LYS  19  -1.372   0.560   9.902
  136    HZ3  LYS  19           2HZ      LYS  19  -2.447  -0.068   8.760
  137    H    VAL  20           H        VAL  20   0.789   2.033   2.610
  138    HA   VAL  20           HA       VAL  20   2.271   4.240   3.802
  139    HB   VAL  20           HB       VAL  20   3.112   4.898   1.502
  140   HG11  VAL  20          1HG1      VAL  20   4.448   3.764   3.361
  141   HG12  VAL  20          2HG1      VAL  20   5.109   3.689   1.728
  142   HG13  VAL  20          3HG1      VAL  20   4.287   2.286   2.412
  143   HG21  VAL  20          3HG2      VAL  20   2.389   2.031   0.877
  144   HG22  VAL  20          1HG2      VAL  20   3.368   3.077  -0.150
  145   HG23  VAL  20          2HG2      VAL  20   1.676   3.469   0.153
  146    H    GLY  21           H        GLY  21  -0.342   4.050   4.052
  147    HA2  GLY  21           2HA      GLY  21  -1.710   6.136   3.639
  148    HA3  GLY  21           1HA      GLY  21  -1.524   5.743   1.934
  149    H    SER  22           H        SER  22  -3.874   5.677   1.837
  150    HA   SER  22           HA       SER  22  -4.845   3.033   2.070
  151    HB2  SER  22           2HB      SER  22  -5.050   3.607   4.434
  152    HB3  SER  22           1HB      SER  22  -6.022   5.016   4.014
  153    HG   SER  22           HG       SER  22  -7.694   3.775   3.832
  154    H    CYS  23           H        CYS  23  -6.637   2.670   0.988
  155    HA   CYS  23           HA       CYS  23  -7.620   4.853  -0.685
  156    HB2  CYS  23           2HB      CYS  23  -7.987   1.847  -0.932
  157    HB3  CYS  23           1HB      CYS  23  -8.528   3.049  -2.107
  158    H    PHE  24           H        PHE  24  -8.872   2.135   1.221
  159    HA   PHE  24           HA       PHE  24 -10.730   3.511   2.674
  160    HB2  PHE  24           2HB      PHE  24 -12.861   2.682   1.472
  161    HB3  PHE  24           1HB      PHE  24 -12.074   4.134   0.876
  162    HD1  PHE  24           1HD      PHE  24 -12.344   0.473   0.271
  163    HD2  PHE  24           2HD      PHE  24 -11.468   4.307  -1.353
  164    HE1  PHE  24           1HE      PHE  24 -12.257  -0.498  -1.989
  165    HE2  PHE  24           2HE      PHE  24 -11.375   3.334  -3.608
  166    HZ   PHE  24           HZ       PHE  24 -11.775   0.931  -3.925
  167    H    GLY  25           H        GLY  25 -11.794   2.187   4.120
  168    HA2  GLY  25           2HA      GLY  25 -12.187   0.269   5.324
  169    HA3  GLY  25           1HA      GLY  25 -12.070  -0.617   3.808
  170    H    PHE  26           H        PHE  26 -10.803  -2.300   4.508
  171    HA   PHE  26           HA       PHE  26  -8.385  -1.818   6.011
  172    HB2  PHE  26           2HB      PHE  26  -8.053  -4.272   5.780
  173    HB3  PHE  26           1HB      PHE  26  -9.627  -3.856   6.448
  174    HD1  PHE  26           2HD      PHE  26  -8.119  -4.394   3.057
  175    HD2  PHE  26           1HD      PHE  26 -11.385  -5.098   5.692
  176    HE1  PHE  26           2HE      PHE  26  -9.219  -5.747   1.327
  177    HE2  PHE  26           1HE      PHE  26 -12.488  -6.459   3.966
  178    HZ   PHE  26           HZ       PHE  26 -11.405  -6.783   1.778
  179    H    ARG  27           H        ARG  27  -9.155  -1.290   2.911
  180    HA   ARG  27           HA       ARG  27  -6.940  -2.466   1.552
  181    HB2  ARG  27           2HB      ARG  27  -8.709  -0.204   0.636
  182    HB3  ARG  27           1HB      ARG  27  -7.683  -1.207  -0.372
  183    HG2  ARG  27           2HG      ARG  27  -9.033  -3.166   0.238
  184    HG3  ARG  27           1HG      ARG  27 -10.105  -2.107   1.159
  185    HD2  ARG  27           2HD      ARG  27 -10.279  -0.781  -1.053
  186    HD3  ARG  27           1HD      ARG  27  -9.667  -2.255  -1.797
  187    HE   ARG  27           HE       ARG  27 -12.303  -1.791  -0.898
  188   HH11  ARG  27          1HH1      ARG  27  -9.882  -4.307  -1.069
  189   HH12  ARG  27          2HH1      ARG  27 -11.036  -5.598  -1.022
  190   HH21  ARG  27          1HH2      ARG  27 -13.822  -3.486  -0.846
  191   HH22  ARG  27          2HH2      ARG  27 -13.274  -5.131  -0.893
  192    H    SER  28           H        SER  28  -5.720  -1.289   3.590
  193    HA   SER  28           HA       SER  28  -4.925   1.378   3.304
  194    HB2  SER  28           2HB      SER  28  -3.014  -0.705   4.306
  195    HB3  SER  28           1HB      SER  28  -3.346   0.907   4.941
  196    HG   SER  28           HG       SER  28  -5.477   0.031   5.510
  197    H    CYS  29           H        CYS  29  -3.273   2.343   2.122
  198    HA   CYS  29           HA       CYS  29  -2.491   1.151  -0.304
  199    HB2  CYS  29           2HB      CYS  29  -1.392   3.557   1.167
  200    HB3  CYS  29           1HB      CYS  29  -0.987   3.152  -0.491
  201    H    CYS  30           H        CYS  30  -0.534   0.167  -0.923
  202    HA   CYS  30           HA       CYS  30   1.596  -0.093   1.031
  203    HB2  CYS  30           2HB      CYS  30   1.557  -2.518   1.069
  204    HB3  CYS  30           1HB      CYS  30   0.036  -1.879   1.651
  205    H    LYS  31           H        LYS  31   3.496  -1.060   0.214
  206    HA   LYS  31           HA       LYS  31   3.739  -1.824  -2.516
  207    HB2  LYS  31           2HB      LYS  31   5.311   0.038  -3.123
  208    HB3  LYS  31           1HB      LYS  31   3.625   0.495  -2.988
  209    HG2  LYS  31           2HG      LYS  31   4.603   2.218  -1.907
  210    HG3  LYS  31           1HG      LYS  31   4.304   1.138  -0.550
  211    HD2  LYS  31           2HD      LYS  31   6.597   0.374  -0.610
  212    HD3  LYS  31           1HD      LYS  31   6.910   1.333  -2.057
  213    HE2  LYS  31           2HE      LYS  31   6.231   3.353  -0.685
  214    HE3  LYS  31           1HE      LYS  31   6.306   2.296   0.723
  215    HZ1  LYS  31           3HZ      LYS  31   8.667   1.781  -0.189
  216    HZ2  LYS  31           1HZ      LYS  31   8.400   3.192   0.698
  217    HZ3  LYS  31           2HZ      LYS  31   8.491   3.260  -0.986
  218    H    TRP  32           H        TRP  32   5.708  -2.841  -2.895
  219    HA   TRP  32           HA       TRP  32   6.903  -4.097  -0.778
  220    HB2  TRP  32           2HB      TRP  32   8.123  -3.488  -3.476
  221    HB3  TRP  32           1HB      TRP  32   8.771  -4.649  -2.322
  222    HD1  TRP  32           HD       TRP  32   5.455  -4.092  -4.279
  223    HE1  TRP  32           1HE      TRP  32   4.488  -6.401  -4.867
  224    HE3  TRP  32           3HE      TRP  32   8.896  -7.037  -1.914
  225    HZ2  TRP  32           2HZ      TRP  32   5.098  -9.109  -4.386
  226    HZ3  TRP  32           3HZ      TRP  32   8.628  -9.479  -2.025
  227    HH2  TRP  32           HH       TRP  32   6.768 -10.494  -3.234
  228    HA   PRO  33           HA       PRO  33   9.380  -1.215   1.430
  229    HB2  PRO  33           2HB      PRO  33  11.422  -3.396   1.424
  230    HB3  PRO  33           1HB      PRO  33  10.786  -2.454   2.777
  231    HG2  PRO  33           2HG      PRO  33   9.988  -4.961   2.379
  232    HG3  PRO  33           1HG      PRO  33   8.846  -3.715   2.918
  233    HD2  PRO  33           2HD      PRO  33   9.168  -4.962   0.227
  234    HD3  PRO  33           1HD      PRO  33   7.696  -4.387   1.044
  235    H    TRP  34           H        TRP  34  11.145  -3.230  -0.892
  236    HA   TRP  34           HA       TRP  34  13.107  -1.215  -1.451
  237    HB2  TRP  34           2HB      TRP  34  13.692  -2.909  -3.322
  238    HB3  TRP  34           1HB      TRP  34  13.905  -3.403  -1.653
  239    HD1  TRP  34           HD       TRP  34  10.717  -3.515  -3.887
  240    HE1  TRP  34           1HE      TRP  34   9.773  -5.909  -3.745
  241    HE3  TRP  34           3HE      TRP  34  14.312  -5.569  -0.969
  242    HZ2  TRP  34           2HZ      TRP  34  10.489  -8.359  -2.515
  243    HZ3  TRP  34           3HZ      TRP  34  14.128  -7.946  -0.329
  244    HH2  TRP  34           HH       TRP  34  12.248  -9.304  -1.091
  245    H    ASN  35           H        ASN  35   9.944  -1.703  -2.429
  246    HA   ASN  35           HA       ASN  35   8.618  -0.842  -4.059
  247    HB2  ASN  35           2HB      ASN  35   9.516   1.268  -3.126
  248    HB3  ASN  35           1HB      ASN  35  10.824   1.219  -4.302
  249   HD21  ASN  35          1HD2      ASN  35  10.502   2.530  -5.942
  250   HD22  ASN  35          2HD2      ASN  35   8.975   2.938  -6.646
  251    H    ALA  36           H        ALA  36   9.610  -2.943  -5.060
  252    HA   ALA  36           HA       ALA  36   9.880  -2.484  -7.838
  253    HB1  ALA  36           1HB      ALA  36  12.360  -3.195  -6.295
  254    HB2  ALA  36           2HB      ALA  36  12.142  -1.947  -7.521
  255    HB3  ALA  36           3HB      ALA  36  12.164  -3.647  -7.989
  Start of MODEL    9
    1    H1   LEU   1           1HT      LEU   1  -2.570   1.927  -5.046
    2    H2   LEU   1           2HT      LEU   1  -2.608   3.418  -5.829
    3    H3   LEU   1           3HT      LEU   1  -3.588   3.151  -4.481
    4    HA   LEU   1           HA       LEU   1  -1.927   3.463  -3.006
    5    HB2  LEU   1           2HB      LEU   1  -0.773   1.479  -4.104
    6    HB3  LEU   1           1HB      LEU   1   0.063   2.624  -5.100
    7    HG   LEU   1           HG       LEU   1   1.494   1.851  -3.302
    8   HD11  LEU   1          2HD1      LEU   1   1.807   4.140  -4.048
    9   HD12  LEU   1          3HD1      LEU   1   2.192   3.952  -2.342
   10   HD13  LEU   1          1HD1      LEU   1   0.671   4.695  -2.822
   11   HD21  LEU   1          1HD2      LEU   1  -0.825   1.974  -1.752
   12   HD22  LEU   1          2HD2      LEU   1   0.299   3.139  -1.061
   13   HD23  LEU   1          3HD2      LEU   1   0.784   1.460  -1.263
   14    H    PHE   2           H        PHE   2  -2.954   5.561  -3.922
   15    HA   PHE   2           HA       PHE   2  -1.563   7.217  -5.688
   16    HB2  PHE   2           2HB      PHE   2  -3.267   8.015  -3.316
   17    HB3  PHE   2           1HB      PHE   2  -2.786   9.086  -4.626
   18    HD1  PHE   2           2HD      PHE   2  -4.523   5.806  -4.123
   19    HD2  PHE   2           1HD      PHE   2  -4.276   9.435  -6.330
   20    HE1  PHE   2           2HE      PHE   2  -6.531   5.170  -5.384
   21    HE2  PHE   2           1HE      PHE   2  -6.293   8.806  -7.591
   22    HZ   PHE   2           HZ       PHE   2  -7.421   6.671  -7.121
   23    H    CYS   3           H        CYS   3  -1.006   6.270  -2.486
   24    HA   CYS   3           HA       CYS   3   0.554   8.308  -1.445
   25    HB2  CYS   3           2HB      CYS   3   0.977   5.345  -1.000
   26    HB3  CYS   3           1HB      CYS   3   1.451   6.649   0.079
   27    H    LYS   4           H        LYS   4   1.325   5.925  -3.886
   28    HA   LYS   4           HA       LYS   4   3.572   7.282  -4.825
   29    HB2  LYS   4           2HB      LYS   4   4.564   6.535  -2.678
   30    HB3  LYS   4           1HB      LYS   4   4.324   4.870  -3.183
   31    HG2  LYS   4           2HG      LYS   4   6.614   5.822  -3.508
   32    HG3  LYS   4           1HG      LYS   4   5.903   5.065  -4.920
   33    HD2  LYS   4           2HD      LYS   4   5.313   7.243  -5.812
   34    HD3  LYS   4           1HD      LYS   4   5.917   8.030  -4.354
   35    HE2  LYS   4           2HE      LYS   4   8.166   7.185  -4.851
   36    HE3  LYS   4           1HE      LYS   4   7.549   6.425  -6.316
   37    HZ1  LYS   4           3HZ      LYS   4   8.590   8.902  -6.182
   38    HZ2  LYS   4           1HZ      LYS   4   6.936   9.228  -6.104
   39    HZ3  LYS   4           2HZ      LYS   4   7.563   8.356  -7.405
   40    H    GLY   5           H        GLY   5   1.481   6.196  -6.099
   41    HA2  GLY   5           2HA      GLY   5   0.778   4.694  -7.714
   42    HA3  GLY   5           1HA      GLY   5   2.398   4.988  -8.314
   43    H    GLY   6           H        GLY   6   1.537   3.242  -5.382
   44    HA2  GLY   6           2HA      GLY   6   2.932   0.883  -6.424
   45    HA3  GLY   6           1HA      GLY   6   2.582   1.207  -4.740
   46    H    SER   7           H        SER   7   1.024  -0.024  -3.868
   47    HA   SER   7           HA       SER   7  -1.235  -0.850  -5.544
   48    HB2  SER   7           2HB      SER   7   0.346  -2.698  -3.746
   49    HB3  SER   7           1HB      SER   7  -1.113  -3.132  -4.634
   50    HG   SER   7           HG       SER   7   0.061  -2.577  -6.568
   51    H    CYS   8           H        CYS   8  -2.948  -1.953  -4.024
   52    HA   CYS   8           HA       CYS   8  -3.012  -0.579  -1.433
   53    HB2  CYS   8           2HB      CYS   8  -5.279  -0.618  -3.417
   54    HB3  CYS   8           1HB      CYS   8  -5.325   0.092  -1.804
   55    H    HIS   9           H        HIS   9  -4.010  -1.643   0.188
   56    HA   HIS   9           HA       HIS   9  -4.178  -4.434   0.041
   57    HB2  HIS   9           2HB      HIS   9  -4.668  -2.364   2.075
   58    HB3  HIS   9           1HB      HIS   9  -5.560  -3.858   2.319
   59    HD1  HIS   9           1HD      HIS   9  -3.995  -6.085   2.436
   60    HD2  HIS   9           2HD      HIS   9  -2.060  -2.434   2.870
   61    HE1  HIS   9           1HE      HIS   9  -1.782  -6.617   3.489
   62    HE2  HIS   9           2HE      HIS   9  -0.665  -4.390   3.827
   63    H    PHE  10           H        PHE  10  -5.637  -4.414  -1.923
   64    HA   PHE  10           HA       PHE  10  -8.458  -3.999  -1.424
   65    HB2  PHE  10           2HB      PHE  10  -6.811  -4.886  -3.772
   66    HB3  PHE  10           1HB      PHE  10  -8.525  -5.267  -3.749
   67    HD1  PHE  10           2HD      PHE  10  -6.567  -2.223  -2.789
   68    HD2  PHE  10           1HD      PHE  10  -9.660  -3.907  -5.178
   69    HE1  PHE  10           2HE      PHE  10  -7.086   0.009  -3.692
   70    HE2  PHE  10           1HE      PHE  10 -10.177  -1.680  -6.085
   71    HZ   PHE  10           HZ       PHE  10  -8.889   0.280  -5.343
   72    H    GLY  11           H        GLY  11  -7.359  -5.679   0.433
   73    HA2  GLY  11           2HA      GLY  11  -7.926  -7.651   1.484
   74    HA3  GLY  11           1HA      GLY  11  -8.972  -8.027   0.122
   75    H    GLY  12           H        GLY  12  -5.544  -7.273  -0.131
   76    HA2  GLY  12           2HA      GLY  12  -4.276  -9.644   0.019
   77    HA3  GLY  12           1HA      GLY  12  -5.113  -9.782  -1.516
   78    H    CYS  13           H        CYS  13  -2.948  -7.513   0.227
   79    HA   CYS  13           HA       CYS  13  -2.067  -6.134  -2.038
   80    HB2  CYS  13           2HB      CYS  13  -0.721  -6.669   0.612
   81    HB3  CYS  13           1HB      CYS  13   0.044  -5.702  -0.640
   82    HA   PRO  14           HA       PRO  14   0.168  -8.859  -4.679
   83    HB2  PRO  14           2HB      PRO  14   2.300  -6.789  -4.260
   84    HB3  PRO  14           1HB      PRO  14   1.795  -7.587  -5.755
   85    HG2  PRO  14           2HG      PRO  14   0.935  -5.125  -5.116
   86    HG3  PRO  14           1HG      PRO  14  -0.093  -6.284  -5.975
   87    HD2  PRO  14           2HD      PRO  14  -0.323  -5.279  -3.226
   88    HD3  PRO  14           1HD      PRO  14  -1.531  -6.102  -4.226
   89    H    SER  15           H        SER  15   1.812  -7.621  -1.786
   90    HA   SER  15           HA       SER  15   2.651 -10.199  -0.987
   91    HB2  SER  15           2HB      SER  15   4.267  -9.822  -2.854
   92    HB3  SER  15           1HB      SER  15   4.860  -8.393  -2.011
   93    HG   SER  15           HG       SER  15   5.279 -11.081  -1.489
   94    H    HIS  16           H        HIS  16   5.111  -9.101   0.298
   95    HA   HIS  16           HA       HIS  16   3.879  -8.072   2.666
   96    HB2  HIS  16           2HB      HIS  16   5.819  -9.563   2.803
   97    HB3  HIS  16           1HB      HIS  16   6.802  -8.388   1.939
   98    HD1  HIS  16           1HD      HIS  16   8.087  -9.005   4.418
   99    HD2  HIS  16           2HD      HIS  16   4.919  -6.315   4.367
  100    HE1  HIS  16           1HE      HIS  16   8.318  -7.646   6.515
  101    HE2  HIS  16           2HE      HIS  16   6.527  -5.886   6.343
  102    H    LEU  17           H        LEU  17   3.092  -6.294   0.949
  103    HA   LEU  17           HA       LEU  17   4.891  -4.106   0.547
  104    HB2  LEU  17           2HB      LEU  17   1.890  -4.033   0.456
  105    HB3  LEU  17           1HB      LEU  17   3.004  -2.962  -0.359
  106    HG   LEU  17           HG       LEU  17   2.390  -5.828  -1.014
  107   HD11  LEU  17          1HD1      LEU  17   1.635  -4.903  -3.123
  108   HD12  LEU  17          2HD1      LEU  17   2.070  -3.284  -2.586
  109   HD13  LEU  17          3HD1      LEU  17   0.777  -4.162  -1.772
  110   HD21  LEU  17          3HD2      LEU  17   4.333  -4.119  -2.528
  111   HD22  LEU  17          1HD2      LEU  17   4.067  -5.857  -2.643
  112   HD23  LEU  17          2HD2      LEU  17   4.857  -5.180  -1.221
  113    H    ILE  18           H        ILE  18   5.302  -2.451   1.902
  114    HA   ILE  18           HA       ILE  18   4.222  -2.492   4.555
  115    HB   ILE  18           HB       ILE  18   5.523  -0.374   4.868
  116   HG12  ILE  18          2HG1      ILE  18   6.434  -0.922   2.033
  117   HG13  ILE  18          1HG1      ILE  18   5.417   0.424   2.535
  118   HG21  ILE  18          1HG2      ILE  18   7.049  -1.819   5.563
  119   HG22  ILE  18          2HG2      ILE  18   7.713  -1.868   3.932
  120   HG23  ILE  18          3HG2      ILE  18   6.479  -3.031   4.417
  121   HD11  ILE  18          3HD1      ILE  18   7.798   1.007   2.184
  122   HD12  ILE  18          1HD1      ILE  18   8.212  -0.039   3.540
  123   HD13  ILE  18          2HD1      ILE  18   7.199   1.381   3.798
  124    H    LYS  19           H        LYS  19   2.670  -1.217   5.451
  125    HA   LYS  19           HA       LYS  19   0.829   0.059   3.697
  126    HB2  LYS  19           2HB      LYS  19  -0.056  -0.923   5.694
  127    HB3  LYS  19           1HB      LYS  19   1.028   0.025   6.707
  128    HG2  LYS  19           2HG      LYS  19  -0.129   2.043   6.188
  129    HG3  LYS  19           1HG      LYS  19  -1.081   1.240   4.943
  130    HD2  LYS  19           2HD      LYS  19  -2.534   1.414   6.746
  131    HD3  LYS  19           1HD      LYS  19  -1.948  -0.245   6.837
  132    HE2  LYS  19           2HE      LYS  19  -0.975   2.095   8.473
  133    HE3  LYS  19           1HE      LYS  19  -1.990   0.778   9.045
  134    HZ1  LYS  19           3HZ      LYS  19   0.878   0.800   8.481
  135    HZ2  LYS  19           1HZ      LYS  19   0.035  -0.634   8.176
  136    HZ3  LYS  19           2HZ      LYS  19   0.026   0.037   9.722
  137    H    VAL  20           H        VAL  20   1.891   1.659   2.618
  138    HA   VAL  20           HA       VAL  20   3.408   3.668   3.963
  139    HB   VAL  20           HB       VAL  20   3.896   3.060   1.654
  140   HG11  VAL  20          1HG1      VAL  20   2.482   3.546  -0.176
  141   HG12  VAL  20          2HG1      VAL  20   1.364   4.446   0.843
  142   HG13  VAL  20          3HG1      VAL  20   1.492   2.698   1.010
  143   HG21  VAL  20          3HG2      VAL  20   2.977   5.922   1.732
  144   HG22  VAL  20          1HG2      VAL  20   4.316   5.238   0.811
  145   HG23  VAL  20          2HG2      VAL  20   4.415   5.338   2.568
  146    H    GLY  21           H        GLY  21   0.059   3.212   3.291
  147    HA2  GLY  21           2HA      GLY  21  -0.772   5.330   4.898
  148    HA3  GLY  21           1HA      GLY  21  -0.764   5.921   3.245
  149    H    SER  22           H        SER  22  -2.898   6.122   2.878
  150    HA   SER  22           HA       SER  22  -4.519   3.669   3.036
  151    HB2  SER  22           2HB      SER  22  -5.578   6.467   3.428
  152    HB3  SER  22           1HB      SER  22  -6.424   4.948   3.714
  153    HG   SER  22           HG       SER  22  -4.815   4.523   5.360
  154    H    CYS  23           H        CYS  23  -5.811   3.208   1.353
  155    HA   CYS  23           HA       CYS  23  -5.382   4.755  -1.099
  156    HB2  CYS  23           2HB      CYS  23  -4.987   2.182  -0.814
  157    HB3  CYS  23           1HB      CYS  23  -6.737   2.079  -0.994
  158    H    PHE  24           H        PHE  24  -7.872   3.285   0.869
  159    HA   PHE  24           HA       PHE  24  -9.815   5.281   0.271
  160    HB2  PHE  24           2HB      PHE  24 -10.076   3.958  -1.761
  161    HB3  PHE  24           1HB      PHE  24 -10.230   2.482  -0.820
  162    HD1  PHE  24           1HD      PHE  24 -11.797   5.871  -0.678
  163    HD2  PHE  24           2HD      PHE  24 -12.370   1.657  -0.856
  164    HE1  PHE  24           1HE      PHE  24 -14.230   6.200  -0.557
  165    HE2  PHE  24           2HE      PHE  24 -14.805   1.982  -0.741
  166    HZ   PHE  24           HZ       PHE  24 -15.735   4.256  -0.591
  167    H    GLY  25           H        GLY  25  -9.001   4.984   2.586
  168    HA2  GLY  25           2HA      GLY  25  -9.667   4.577   4.754
  169    HA3  GLY  25           1HA      GLY  25 -11.114   3.807   4.113
  170    H    PHE  26           H        PHE  26 -11.273   1.753   4.692
  171    HA   PHE  26           HA       PHE  26  -9.560   0.179   6.013
  172    HB2  PHE  26           2HB      PHE  26 -11.784  -0.598   5.568
  173    HB3  PHE  26           1HB      PHE  26 -11.478  -0.658   3.837
  174    HD1  PHE  26           1HD      PHE  26  -9.354  -1.909   6.620
  175    HD2  PHE  26           2HD      PHE  26 -11.807  -2.892   3.284
  176    HE1  PHE  26           1HE      PHE  26  -8.665  -4.260   6.812
  177    HE2  PHE  26           2HE      PHE  26 -11.126  -5.248   3.476
  178    HZ   PHE  26           HZ       PHE  26  -9.552  -5.934   5.240
  179    H    ARG  27           H        ARG  27  -9.640   0.454   2.469
  180    HA   ARG  27           HA       ARG  27  -7.538  -1.391   2.025
  181    HB2  ARG  27           2HB      ARG  27  -8.441   0.876   0.248
  182    HB3  ARG  27           1HB      ARG  27  -7.392  -0.451  -0.231
  183    HG2  ARG  27           2HG      ARG  27  -9.333  -1.959   0.464
  184    HG3  ARG  27           1HG      ARG  27 -10.307  -0.488   0.375
  185    HD2  ARG  27           2HD      ARG  27  -9.088  -0.225  -1.940
  186    HD3  ARG  27           1HD      ARG  27  -8.881  -1.965  -1.776
  187    HE   ARG  27           HE       ARG  27 -11.231  -0.647  -2.543
  188   HH11  ARG  27          1HH1      ARG  27 -10.163  -3.266  -0.477
  189   HH12  ARG  27          2HH1      ARG  27 -11.666  -4.118  -0.551
  190   HH21  ARG  27          1HH2      ARG  27 -13.227  -1.779  -2.640
  191   HH22  ARG  27          2HH2      ARG  27 -13.411  -3.271  -1.774
  192    H    SER  28           H        SER  28  -5.957  -0.726   3.581
  193    HA   SER  28           HA       SER  28  -4.731   1.795   3.569
  194    HB2  SER  28           2HB      SER  28  -3.459  -0.872   4.241
  195    HB3  SER  28           1HB      SER  28  -2.919   0.717   4.777
  196    HG   SER  28           HG       SER  28  -4.854   0.931   5.940
  197    H    CYS  29           H        CYS  29  -3.236   2.690   2.194
  198    HA   CYS  29           HA       CYS  29  -2.755   1.378  -0.285
  199    HB2  CYS  29           2HB      CYS  29  -1.620   3.373  -0.947
  200    HB3  CYS  29           1HB      CYS  29  -2.952   3.877   0.063
  201    H    CYS  30           H        CYS  30  -1.211  -0.069  -0.747
  202    HA   CYS  30           HA       CYS  30   1.103  -0.271   1.068
  203    HB2  CYS  30           2HB      CYS  30   0.886  -2.695   0.966
  204    HB3  CYS  30           1HB      CYS  30  -0.599  -1.975   1.557
  205    H    LYS  31           H        LYS  31   3.063  -0.680   0.199
  206    HA   LYS  31           HA       LYS  31   3.307  -1.599  -2.525
  207    HB2  LYS  31           2HB      LYS  31   5.093   0.371  -2.777
  208    HB3  LYS  31           1HB      LYS  31   3.439   0.503  -3.325
  209    HG2  LYS  31           2HG      LYS  31   3.910   2.504  -2.219
  210    HG3  LYS  31           1HG      LYS  31   2.916   1.572  -1.103
  211    HD2  LYS  31           2HD      LYS  31   4.781   2.647   0.054
  212    HD3  LYS  31           1HD      LYS  31   4.940   0.893   0.116
  213    HE2  LYS  31           2HE      LYS  31   6.651   0.896  -1.510
  214    HE3  LYS  31           1HE      LYS  31   6.304   2.557  -1.987
  215    HZ1  LYS  31           3HZ      LYS  31   8.253   2.583  -0.674
  216    HZ2  LYS  31           1HZ      LYS  31   7.556   1.634   0.536
  217    HZ3  LYS  31           2HZ      LYS  31   7.023   3.216   0.289
  218    H    TRP  32           H        TRP  32   5.360  -2.404  -3.024
  219    HA   TRP  32           HA       TRP  32   6.556  -3.899  -1.091
  220    HB2  TRP  32           2HB      TRP  32   8.002  -2.828  -3.516
  221    HB3  TRP  32           1HB      TRP  32   8.364  -4.306  -2.634
  222    HD1  TRP  32           HD       TRP  32   5.558  -2.828  -4.851
  223    HE1  TRP  32           1HE      TRP  32   4.360  -4.774  -6.031
  224    HE3  TRP  32           3HE      TRP  32   7.981  -6.727  -2.623
  225    HZ2  TRP  32           2HZ      TRP  32   4.434  -7.596  -6.012
  226    HZ3  TRP  32           3HZ      TRP  32   7.359  -9.018  -3.256
  227    HH2  TRP  32           HH       TRP  32   5.620  -9.445  -4.915
  228    HA   PRO  33           HA       PRO  33   8.784  -1.097   1.508
  229    HB2  PRO  33           2HB      PRO  33  10.609  -3.412   1.893
  230    HB3  PRO  33           1HB      PRO  33   9.752  -2.445   3.096
  231    HG2  PRO  33           2HG      PRO  33   8.943  -4.917   2.495
  232    HG3  PRO  33           1HG      PRO  33   7.779  -3.628   2.837
  233    HD2  PRO  33           2HD      PRO  33   8.578  -4.810   0.215
  234    HD3  PRO  33           1HD      PRO  33   6.989  -4.244   0.763
  235    H    TRP  34           H        TRP  34  10.532  -3.244  -0.698
  236    HA   TRP  34           HA       TRP  34  12.726  -1.346  -0.906
  237    HB2  TRP  34           2HB      TRP  34  12.369  -4.013  -2.286
  238    HB3  TRP  34           1HB      TRP  34  13.819  -3.036  -2.293
  239    HD1  TRP  34           HD       TRP  34  15.490  -3.472  -0.471
  240    HE1  TRP  34           1HE      TRP  34  15.584  -4.907   1.667
  241    HE3  TRP  34           3HE      TRP  34  10.623  -4.974  -0.321
  242    HZ2  TRP  34           2HZ      TRP  34  13.811  -6.474   3.201
  243    HZ3  TRP  34           3HZ      TRP  34   9.899  -6.448   1.507
  244    HH2  TRP  34           HH       TRP  34  11.460  -7.184   3.230
  245    H    ASN  35           H        ASN  35   9.971  -0.787  -1.904
  246    HA   ASN  35           HA       ASN  35   9.815  -0.937  -4.683
  247    HB2  ASN  35           2HB      ASN  35   7.879  -0.293  -3.399
  248    HB3  ASN  35           1HB      ASN  35   8.693   1.149  -2.805
  249   HD21  ASN  35          1HD2      ASN  35   8.220   2.961  -3.820
  250   HD22  ASN  35          2HD2      ASN  35   7.611   3.091  -5.435
  251    H    ALA  36           H        ALA  36  11.499   1.314  -2.606
  252    HA   ALA  36           HA       ALA  36  13.074   2.893  -3.016
  253    HB1  ALA  36           1HB      ALA  36  13.974   0.973  -4.417
  254    HB2  ALA  36           2HB      ALA  36  14.543   2.590  -4.825
  255    HB3  ALA  36           3HB      ALA  36  13.305   1.818  -5.813
  Start of MODEL   10
    1    H1   LEU   1           1HT      LEU   1   7.002   8.932  -0.715
    2    H2   LEU   1           2HT      LEU   1   8.361   8.619  -1.663
    3    H3   LEU   1           3HT      LEU   1   8.289   8.043  -0.082
    4    HA   LEU   1           HA       LEU   1   7.570   6.691  -2.351
    5    HB2  LEU   1           2HB      LEU   1   8.385   5.970  -0.037
    6    HB3  LEU   1           1HB      LEU   1   6.716   6.078   0.478
    7    HG   LEU   1           HG       LEU   1   6.120   4.336  -1.187
    8   HD11  LEU   1          2HD1      LEU   1   7.980   3.011  -2.168
    9   HD12  LEU   1          3HD1      LEU   1   9.092   4.281  -1.658
   10   HD13  LEU   1          1HD1      LEU   1   7.826   4.635  -2.834
   11   HD21  LEU   1          1HD2      LEU   1   7.976   3.921   1.078
   12   HD22  LEU   1          2HD2      LEU   1   7.703   2.547   0.008
   13   HD23  LEU   1          3HD2      LEU   1   6.340   3.313   0.823
   14    H    PHE   2           H        PHE   2   5.975   8.948  -2.511
   15    HA   PHE   2           HA       PHE   2   3.430   8.987  -1.588
   16    HB2  PHE   2           2HB      PHE   2   4.544   9.718  -4.275
   17    HB3  PHE   2           1HB      PHE   2   2.825   9.881  -3.953
   18    HD1  PHE   2           2HD      PHE   2   5.744  10.558  -1.736
   19    HD2  PHE   2           1HD      PHE   2   2.416  12.149  -3.858
   20    HE1  PHE   2           2HE      PHE   2   6.137  12.754  -0.702
   21    HE2  PHE   2           1HE      PHE   2   2.804  14.347  -2.826
   22    HZ   PHE   2           HZ       PHE   2   4.667  14.650  -1.246
   23    H    CYS   3           H        CYS   3   1.462   8.135  -2.101
   24    HA   CYS   3           HA       CYS   3   1.470   5.442  -3.071
   25    HB2  CYS   3           2HB      CYS   3   0.061   6.259  -1.177
   26    HB3  CYS   3           1HB      CYS   3  -0.885   7.194  -2.330
   27    H    LYS   4           H        LYS   4  -1.234   5.633  -4.233
   28    HA   LYS   4           HA       LYS   4  -2.233   5.737  -6.248
   29    HB2  LYS   4           2HB      LYS   4  -1.855   8.229  -5.750
   30    HB3  LYS   4           1HB      LYS   4  -0.530   8.130  -6.903
   31    HG2  LYS   4           2HG      LYS   4  -2.039   7.486  -8.662
   32    HG3  LYS   4           1HG      LYS   4  -3.381   7.396  -7.523
   33    HD2  LYS   4           2HD      LYS   4  -3.536   9.457  -8.751
   34    HD3  LYS   4           1HD      LYS   4  -3.106   9.819  -7.079
   35    HE2  LYS   4           2HE      LYS   4  -0.776  10.093  -7.720
   36    HE3  LYS   4           1HE      LYS   4  -1.167   9.659  -9.383
   37    HZ1  LYS   4           3HZ      LYS   4  -1.952  11.691  -9.807
   38    HZ2  LYS   4           1HZ      LYS   4  -1.075  12.166  -8.444
   39    HZ3  LYS   4           2HZ      LYS   4  -2.725  11.837  -8.313
   40    H    GLY   5           H        GLY   5  -0.392   3.880  -6.166
   41    HA2  GLY   5           2HA      GLY   5   0.336   3.483  -8.864
   42    HA3  GLY   5           1HA      GLY   5   1.758   3.949  -7.940
   43    H    GLY   6           H        GLY   6   1.175   2.719  -5.513
   44    HA2  GLY   6           2HA      GLY   6   1.971   0.028  -6.084
   45    HA3  GLY   6           1HA      GLY   6   1.676   0.714  -4.492
   46    H    SER   7           H        SER   7   0.448  -0.933  -3.647
   47    HA   SER   7           HA       SER   7  -2.112  -1.455  -5.010
   48    HB2  SER   7           2HB      SER   7  -0.557  -3.421  -4.922
   49    HB3  SER   7           1HB      SER   7  -0.653  -3.354  -3.167
   50    HG   SER   7           HG       SER   7  -2.767  -3.844  -5.001
   51    H    CYS   8           H        CYS   8  -3.884  -0.932  -3.950
   52    HA   CYS   8           HA       CYS   8  -3.724   0.236  -1.325
   53    HB2  CYS   8           2HB      CYS   8  -6.136  -0.247  -3.083
   54    HB3  CYS   8           1HB      CYS   8  -6.045   0.833  -1.704
   55    H    HIS   9           H        HIS   9  -2.934  -2.159  -0.871
   56    HA   HIS   9           HA       HIS   9  -3.285  -4.242  -0.011
   57    HB2  HIS   9           2HB      HIS   9  -4.437  -2.213   1.760
   58    HB3  HIS   9           1HB      HIS   9  -4.910  -3.862   2.124
   59    HD1  HIS   9           1HD      HIS   9  -3.463  -3.390   4.373
   60    HD2  HIS   9           2HD      HIS   9  -1.358  -3.657   0.816
   61    HE1  HIS   9           1HE      HIS   9  -1.070  -3.759   5.037
   62    HE2  HIS   9           2HE      HIS   9   0.138  -4.153   2.865
   63    H    PHE  10           H        PHE  10  -4.753  -4.419  -2.163
   64    HA   PHE  10           HA       PHE  10  -7.497  -5.109  -1.507
   65    HB2  PHE  10           2HB      PHE  10  -5.866  -5.059  -4.015
   66    HB3  PHE  10           1HB      PHE  10  -7.269  -6.117  -3.964
   67    HD1  PHE  10           1HD      PHE  10  -6.561  -2.628  -2.822
   68    HD2  PHE  10           2HD      PHE  10  -9.062  -5.237  -5.059
   69    HE1  PHE  10           1HE      PHE  10  -8.023  -0.732  -3.391
   70    HE2  PHE  10           2HE      PHE  10 -10.525  -3.346  -5.637
   71    HZ   PHE  10           HZ       PHE  10 -10.004  -1.091  -4.803
   72    H    GLY  11           H        GLY  11  -5.324  -6.338  -0.134
   73    HA2  GLY  11           2HA      GLY  11  -6.036  -8.828   0.418
   74    HA3  GLY  11           1HA      GLY  11  -5.156  -9.073  -1.090
   75    H    GLY  12           H        GLY  12  -3.342 -10.088  -0.335
   76    HA2  GLY  12           2HA      GLY  12  -1.918  -9.020   1.961
   77    HA3  GLY  12           1HA      GLY  12  -1.479 -10.437   1.024
   78    H    CYS  13           H        CYS  13  -2.119  -8.065  -1.127
   79    HA   CYS  13           HA       CYS  13  -0.875  -6.764  -2.487
   80    HB2  CYS  13           2HB      CYS  13   0.297  -6.287   0.181
   81    HB3  CYS  13           1HB      CYS  13   1.310  -5.830  -1.184
   82    HA   PRO  14           HA       PRO  14   2.117  -8.906  -4.830
   83    HB2  PRO  14           2HB      PRO  14   4.041  -6.752  -4.014
   84    HB3  PRO  14           1HB      PRO  14   3.792  -7.489  -5.603
   85    HG2  PRO  14           2HG      PRO  14   2.708  -5.118  -4.979
   86    HG3  PRO  14           1HG      PRO  14   1.867  -6.284  -6.012
   87    HD2  PRO  14           2HD      PRO  14   1.254  -5.443  -3.264
   88    HD3  PRO  14           1HD      PRO  14   0.211  -6.241  -4.457
   89    H    SER  15           H        SER  15   3.371  -7.682  -1.728
   90    HA   SER  15           HA       SER  15   4.239 -10.276  -0.945
   91    HB2  SER  15           2HB      SER  15   6.059  -9.811  -2.500
   92    HB3  SER  15           1HB      SER  15   6.377  -8.272  -1.703
   93    HG   SER  15           HG       SER  15   6.815  -9.534   0.226
   94    H    HIS  16           H        HIS  16   2.589  -8.974   0.520
   95    HA   HIS  16           HA       HIS  16   2.172  -7.898   2.497
   96    HB2  HIS  16           2HB      HIS  16   4.893  -9.075   3.109
   97    HB3  HIS  16           1HB      HIS  16   3.809  -8.399   4.319
   98    HD1  HIS  16           1HD      HIS  16   4.439 -11.149   4.936
   99    HD2  HIS  16           2HD      HIS  16   1.475 -10.236   2.170
  100    HE1  HIS  16           1HE      HIS  16   2.974 -13.187   4.818
  101    HE2  HIS  16           2HE      HIS  16   1.291 -12.670   3.019
  102    H    LEU  17           H        LEU  17   3.193  -6.222   0.514
  103    HA   LEU  17           HA       LEU  17   5.355  -4.640   1.244
  104    HB2  LEU  17           2HB      LEU  17   2.886  -3.628  -0.144
  105    HB3  LEU  17           1HB      LEU  17   4.508  -3.004  -0.284
  106    HG   LEU  17           HG       LEU  17   3.427  -5.588  -1.380
  107   HD11  LEU  17          1HD1      LEU  17   4.455  -3.053  -2.622
  108   HD12  LEU  17          2HD1      LEU  17   2.851  -3.769  -2.769
  109   HD13  LEU  17          3HD1      LEU  17   4.237  -4.553  -3.524
  110   HD21  LEU  17          3HD2      LEU  17   5.747  -5.818  -0.432
  111   HD22  LEU  17          1HD2      LEU  17   6.263  -4.622  -1.617
  112   HD23  LEU  17          2HD2      LEU  17   5.594  -6.159  -2.154
  113    H    ILE  18           H        ILE  18   5.631  -2.949   2.621
  114    HA   ILE  18           HA       ILE  18   3.951  -2.745   4.865
  115    HB   ILE  18           HB       ILE  18   6.103  -0.834   3.946
  116   HG12  ILE  18          2HG1      ILE  18   6.187  -3.163   5.879
  117   HG13  ILE  18          1HG1      ILE  18   6.920  -3.122   4.280
  118   HG21  ILE  18          1HG2      ILE  18   6.179  -0.259   6.406
  119   HG22  ILE  18          2HG2      ILE  18   4.635  -1.097   6.560
  120   HG23  ILE  18          3HG2      ILE  18   4.768   0.323   5.523
  121   HD11  ILE  18          3HD1      ILE  18   7.710  -1.547   6.709
  122   HD12  ILE  18          1HD1      ILE  18   8.324  -1.206   5.092
  123   HD13  ILE  18          2HD1      ILE  18   8.648  -2.765   5.847
  124    H    LYS  19           H        LYS  19   2.406  -1.331   5.473
  125    HA   LYS  19           HA       LYS  19   0.912   0.038   3.515
  126    HB2  LYS  19           2HB      LYS  19  -0.163  -0.769   5.515
  127    HB3  LYS  19           1HB      LYS  19   0.867   0.237   6.526
  128    HG2  LYS  19           2HG      LYS  19  -0.147   2.240   5.648
  129    HG3  LYS  19           1HG      LYS  19  -1.100   1.295   4.508
  130    HD2  LYS  19           2HD      LYS  19  -2.444   1.981   6.414
  131    HD3  LYS  19           1HD      LYS  19  -2.267   0.227   6.373
  132    HE2  LYS  19           2HE      LYS  19  -0.486   0.380   8.057
  133    HE3  LYS  19           1HE      LYS  19  -0.696   2.130   8.108
  134    HZ1  LYS  19           3HZ      LYS  19  -1.851   0.992   9.915
  135    HZ2  LYS  19           1HZ      LYS  19  -2.788   0.142   8.796
  136    HZ3  LYS  19           2HZ      LYS  19  -2.929   1.821   8.914
  137    H    VAL  20           H        VAL  20   2.030   1.610   2.433
  138    HA   VAL  20           HA       VAL  20   3.661   3.556   3.763
  139    HB   VAL  20           HB       VAL  20   4.060   2.881   1.403
  140   HG11  VAL  20          1HG1      VAL  20   1.437   4.278   0.946
  141   HG12  VAL  20          2HG1      VAL  20   1.895   2.636   0.499
  142   HG13  VAL  20          3HG1      VAL  20   2.613   4.009  -0.338
  143   HG21  VAL  20          3HG2      VAL  20   4.817   4.964   0.708
  144   HG22  VAL  20          1HG2      VAL  20   4.712   5.142   2.458
  145   HG23  VAL  20          2HG2      VAL  20   3.451   5.813   1.426
  146    H    GLY  21           H        GLY  21   0.348   3.235   2.869
  147    HA2  GLY  21           2HA      GLY  21  -0.501   5.414   4.459
  148    HA3  GLY  21           1HA      GLY  21  -0.513   5.880   2.762
  149    H    SER  22           H        SER  22  -2.696   5.954   2.363
  150    HA   SER  22           HA       SER  22  -4.044   3.408   2.198
  151    HB2  SER  22           2HB      SER  22  -5.294   5.579   3.881
  152    HB3  SER  22           1HB      SER  22  -5.914   3.954   3.606
  153    HG   SER  22           HG       SER  22  -3.602   3.471   4.544
  154    H    CYS  23           H        CYS  23  -5.628   3.384   0.691
  155    HA   CYS  23           HA       CYS  23  -5.842   5.749  -0.987
  156    HB2  CYS  23           2HB      CYS  23  -6.869   2.941  -1.482
  157    HB3  CYS  23           1HB      CYS  23  -6.817   4.254  -2.653
  158    H    PHE  24           H        PHE  24  -8.530   4.258  -1.830
  159    HA   PHE  24           HA       PHE  24 -10.191   6.060  -0.304
  160    HB2  PHE  24           2HB      PHE  24 -10.700   4.234  -2.631
  161    HB3  PHE  24           1HB      PHE  24 -12.022   5.011  -1.773
  162    HD1  PHE  24           2HD      PHE  24  -8.823   5.802  -3.509
  163    HD2  PHE  24           1HD      PHE  24 -12.722   7.095  -2.401
  164    HE1  PHE  24           2HE      PHE  24  -8.542   7.817  -4.893
  165    HE2  PHE  24           1HE      PHE  24 -12.452   9.112  -3.790
  166    HZ   PHE  24           HZ       PHE  24 -10.358   9.475  -5.034
  167    H    GLY  25           H        GLY  25 -12.239   5.393   0.549
  168    HA2  GLY  25           2HA      GLY  25 -13.540   4.251   2.007
  169    HA3  GLY  25           1HA      GLY  25 -12.976   2.797   1.206
  170    H    PHE  26           H        PHE  26 -10.838   1.988   1.919
  171    HA   PHE  26           HA       PHE  26  -9.782   2.729   4.452
  172    HB2  PHE  26           2HB      PHE  26 -10.443   0.506   5.548
  173    HB3  PHE  26           1HB      PHE  26 -11.693   1.738   5.435
  174    HD1  PHE  26           1HD      PHE  26 -10.370  -0.928   3.154
  175    HD2  PHE  26           2HD      PHE  26 -13.759   0.882   4.984
  176    HE1  PHE  26           1HE      PHE  26 -11.842  -2.499   1.972
  177    HE2  PHE  26           2HE      PHE  26 -15.234  -0.690   3.808
  178    HZ   PHE  26           HZ       PHE  26 -14.279  -2.383   2.299
  179    H    ARG  27           H        ARG  27  -9.066   1.994   1.672
  180    HA   ARG  27           HA       ARG  27  -7.662  -0.512   1.835
  181    HB2  ARG  27           2HB      ARG  27  -7.510   1.693  -0.204
  182    HB3  ARG  27           1HB      ARG  27  -6.767   0.119  -0.344
  183    HG2  ARG  27           2HG      ARG  27  -9.708   0.594  -0.110
  184    HG3  ARG  27           1HG      ARG  27  -8.834   0.378  -1.627
  185    HD2  ARG  27           2HD      ARG  27  -8.040  -1.825  -0.726
  186    HD3  ARG  27           1HD      ARG  27  -9.182  -1.608   0.597
  187    HE   ARG  27           HE       ARG  27 -10.556  -1.204  -1.761
  188   HH11  ARG  27          1HH1      ARG  27  -8.866  -3.810  -0.162
  189   HH12  ARG  27          2HH1      ARG  27  -9.820  -5.059  -0.895
  190   HH21  ARG  27          1HH2      ARG  27 -11.823  -2.844  -2.735
  191   HH22  ARG  27          2HH2      ARG  27 -11.501  -4.508  -2.366
  192    H    SER  28           H        SER  28  -5.620  -0.862   2.393
  193    HA   SER  28           HA       SER  28  -4.035   1.397   3.325
  194    HB2  SER  28           2HB      SER  28  -3.907  -0.253   4.933
  195    HB3  SER  28           1HB      SER  28  -3.978  -1.562   3.759
  196    HG   SER  28           HG       SER  28  -1.905  -1.144   4.854
  197    H    CYS  29           H        CYS  29  -2.659   2.335   1.983
  198    HA   CYS  29           HA       CYS  29  -1.929   1.140  -0.512
  199    HB2  CYS  29           2HB      CYS  29  -2.215   3.629  -0.104
  200    HB3  CYS  29           1HB      CYS  29  -0.690   3.581   0.774
  201    H    CYS  30           H        CYS  30  -0.424  -0.385  -0.669
  202    HA   CYS  30           HA       CYS  30   1.605  -0.557   1.428
  203    HB2  CYS  30           2HB      CYS  30   1.777  -2.858   0.915
  204    HB3  CYS  30           1HB      CYS  30   0.075  -2.471   0.944
  205    H    LYS  31           H        LYS  31   3.758  -0.803   1.006
  206    HA   LYS  31           HA       LYS  31   4.734  -0.522  -1.725
  207    HB2  LYS  31           2HB      LYS  31   5.347   1.388   0.537
  208    HB3  LYS  31           1HB      LYS  31   6.348   1.266  -0.903
  209    HG2  LYS  31           2HG      LYS  31   3.419   1.954  -0.918
  210    HG3  LYS  31           1HG      LYS  31   4.729   3.131  -0.973
  211    HD2  LYS  31           2HD      LYS  31   5.558   1.987  -3.040
  212    HD3  LYS  31           1HD      LYS  31   4.097   0.999  -3.009
  213    HE2  LYS  31           2HE      LYS  31   3.677   2.764  -4.515
  214    HE3  LYS  31           1HE      LYS  31   2.782   3.146  -3.046
  215    HZ1  LYS  31           3HZ      LYS  31   4.147   4.983  -4.176
  216    HZ2  LYS  31           1HZ      LYS  31   5.489   4.235  -3.476
  217    HZ3  LYS  31           2HZ      LYS  31   4.249   4.837  -2.496
  218    H    TRP  32           H        TRP  32   6.715  -1.478  -2.031
  219    HA   TRP  32           HA       TRP  32   7.416  -3.602  -0.448
  220    HB2  TRP  32           2HB      TRP  32   9.203  -2.048  -2.324
  221    HB3  TRP  32           1HB      TRP  32   9.549  -3.657  -1.699
  222    HD1  TRP  32           HD       TRP  32   7.024  -1.859  -4.002
  223    HE1  TRP  32           1HE      TRP  32   6.060  -3.591  -5.644
  224    HE3  TRP  32           3HE      TRP  32   9.179  -6.078  -2.085
  225    HZ2  TRP  32           2HZ      TRP  32   6.187  -6.381  -6.061
  226    HZ3  TRP  32           3HZ      TRP  32   8.703  -8.240  -3.159
  227    HH2  TRP  32           HH       TRP  32   7.235  -8.387  -5.106
  228    HA   PRO  33           HA       PRO  33   9.214  -1.965   3.254
  229    HB2  PRO  33           2HB      PRO  33  10.873  -4.433   3.008
  230    HB3  PRO  33           1HB      PRO  33   9.960  -3.827   4.393
  231    HG2  PRO  33           2HG      PRO  33   9.059  -5.865   2.917
  232    HG3  PRO  33           1HG      PRO  33   7.957  -4.661   3.605
  233    HD2  PRO  33           2HD      PRO  33   8.847  -5.025   0.798
  234    HD3  PRO  33           1HD      PRO  33   7.324  -4.376   1.424
  235    H    TRP  34           H        TRP  34  11.242  -3.374   0.736
  236    HA   TRP  34           HA       TRP  34  13.696  -2.344   1.459
  237    HB2  TRP  34           2HB      TRP  34  12.601  -2.829  -1.313
  238    HB3  TRP  34           1HB      TRP  34  14.281  -2.487  -0.965
  239    HD1  TRP  34           HD       TRP  34  15.755  -4.426  -0.380
  240    HE1  TRP  34           1HE      TRP  34  15.442  -6.955   0.000
  241    HE3  TRP  34           3HE      TRP  34  10.657  -4.599  -0.358
  242    HZ2  TRP  34           2HZ      TRP  34  13.306  -8.773   0.256
  243    HZ3  TRP  34           3HZ      TRP  34   9.554  -6.774  -0.046
  244    HH2  TRP  34           HH       TRP  34  10.852  -8.816   0.251
  245    H    ASN  35           H        ASN  35  11.039  -0.835  -0.269
  246    HA   ASN  35           HA       ASN  35  12.564   1.624  -0.637
  247    HB2  ASN  35           2HB      ASN  35   9.745   0.914  -1.479
  248    HB3  ASN  35           1HB      ASN  35  10.571   2.417  -1.870
  249   HD21  ASN  35          1HD2      ASN  35  11.788   2.492  -3.637
  250   HD22  ASN  35          2HD2      ASN  35  12.211   1.132  -4.615
  251    H    ALA  36           H        ALA  36  12.033   0.850   2.036
  252    HA   ALA  36           HA       ALA  36  10.511   3.193   2.884
  253    HB1  ALA  36           1HB      ALA  36   8.985   1.197   2.905
  254    HB2  ALA  36           2HB      ALA  36   9.183   1.998   4.463
  255    HB3  ALA  36           3HB      ALA  36  10.036   0.491   4.133