*HEADER    ANTIMICROBIAL PROTEIN                   10-JAN-14   2MJK              
*TITLE     NMR STRUCTURE OF HEN EGG BETA-DEFENSIN GALLIN (CHICKEN OVO-DEFENSIN)  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GALLIN PROTEIN;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 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    C.LANDON, H.MEUDAL                                                    
*REVDAT   1   22-JAN-14 2MJK    0                                                


! derived from the 2D file(s):
! /home/meudal/Galline/Aria/noes-h2o-080710.xpk
ASSI ( resid 22 and name HN )
     ( resid 22 and name HE1 )
     6.0 0.1 0.1 peak 0 weight 0.11000E+01 volume 1307.01147 ppm1 9.2213755 ppm2 9.5697393
ASSI ( resid 34 and name HN )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 1 weight 0.11000E+01 volume 6879.55225 ppm1 8.7843304 ppm2 9.1670141
ASSI ( resid 36 and name HN )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 2 weight 0.11000E+01 volume 886.19489 ppm1 8.6222973 ppm2 9.1648417
ASSI ( resid 33 and name HN )
     ( resid 32 and name HN )
     6.0 0.1 0.1 peak 3 weight 0.11000E+01 volume 1437.67944 ppm1 8.6613445 ppm2 8.8652821
ASSI ( resid 24 and name HN )
     ( resid 3 and name HN )
     6.0 0.1 0.1 peak 4 weight 0.11000E+01 volume 1635.46729 ppm1 8.5770111 ppm2 8.8300629
ASSI ( resid 23 and name HN )
     ( resid 22 and name HN )
     6.0 0.1 0.1 peak 5 weight 0.11000E+01 volume 1071.12354 ppm1 8.1252909 ppm2 9.2205410
ASSI ( resid 23 and name HN )
     ( resid 32 and name HN )
     6.0 0.1 0.1 peak 6 weight 0.11000E+01 volume 2478.91821 ppm1 8.1214800 ppm2 8.8786983
ASSI ( resid 23 and name HN )
     ( resid 34 and name HN )
     6.0 0.1 0.1 peak 7 weight 0.11000E+01 volume 1244.75977 ppm1 8.1264715 ppm2 8.7856913
ASSI ( resid 19 and name HN )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 8 weight 0.11000E+01 volume 1505.63281 ppm1 8.0554800 ppm2 8.7948446
ASSI ( resid 38 and name HN )
     ( resid 36 and name HN )
     6.0 0.1 0.1 peak 9 weight 0.11000E+01 volume 591.52661 ppm1 8.0648260 ppm2 8.6254969
ASSI ( resid 23 and name HN )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 10 weight 0.11000E+01 volume 609.57593 ppm1 8.1163979 ppm2 8.5807629
ASSI ( resid 37 and name HN )
     ( resid 36 and name HN )
     6.0 0.1 0.1 peak 11 weight 0.11000E+01 volume 8158.54785 ppm1 7.7708960 ppm2 8.6236868
ASSI ( resid 14 and name HD21 )
     ( resid 14 and name HN )
     6.0 0.1 0.1 peak 12 weight 0.11000E+01 volume 873.24158 ppm1 7.7356143 ppm2 8.7243214
ASSI ( resid 15 and name HN )
     ( resid 14 and name HN )
     6.0 0.1 0.1 peak 13 weight 0.11000E+01 volume 9769.28906 ppm1 7.6402817 ppm2 8.7243214
ASSI ( resid 40 and name HE3 )
     ( resid 38 and name HE1 )
     6.0 0.1 0.1 peak 14 weight 0.11000E+01 volume 1057.09607 ppm1 7.7209477 ppm2 9.6083984
ASSI ( resid 40 and name HZ2 )
     ( resid 40 and name HE1 )
     6.0 0.1 0.1 peak 15 weight 0.11000E+01 volume 7949.79248 ppm1 7.5152583 ppm2 10.2159300
ASSI ( resid 40 and name HD1 )
     ( resid 40 and name HE1 )
     6.0 0.1 0.1 peak 16 weight 0.11000E+01 volume 20207.01953 ppm1 7.2438927 ppm2 10.2157288
ASSI ( resid 22 and name HD1 )
     ( resid 22 and name HE1 )
     6.0 0.1 0.1 peak 17 weight 0.11000E+01 volume 27099.14062 ppm1 7.3698797 ppm2 9.5720425
ASSI ( resid 38 and name HZ2 )
     ( resid 38 and name HE1 )
     6.0 0.1 0.1 peak 18 weight 0.11000E+01 volume 10737.26172 ppm1 7.3405290 ppm2 9.6157084
ASSI ( resid 22 and name HZ2 )
     ( resid 22 and name HE1 )
     6.0 0.1 0.1 peak 19 weight 0.11000E+01 volume 11980.75977 ppm1 7.2862139 ppm2 9.5690231
ASSI ( resid 22 and name HH2 )
     ( resid 22 and name HE1 )
     6.0 0.1 0.1 peak 20 weight 0.11000E+01 volume 3105.05420 ppm1 7.2431707 ppm2 9.5720425
ASSI ( resid 22 and name HD1 )
     ( resid 22 and name HN )
     6.0 0.1 0.1 peak 21 weight 0.11000E+01 volume 27028.60742 ppm1 7.3707809 ppm2 9.2212219
ASSI ( resid 20 and name HN )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 22 weight 0.11000E+01 volume 1223.25708 ppm1 7.2619772 ppm2 9.1615572
ASSI ( resid 11 and name HN )
     ( resid 12 and name HN )
     6.0 0.1 0.1 peak 23 weight 0.11000E+01 volume 875.63501 ppm1 7.2352600 ppm2 8.9534693
ASSI ( resid 5 and name HN )
     ( resid 4 and name HN )
     6.0 0.1 0.1 peak 24 weight 0.11000E+01 volume 3493.17529 ppm1 7.1984963 ppm2 8.9473724
ASSI ( resid 31 and name HD1 )
     ( resid 32 and name HN )
     6.0 0.1 0.1 peak 25 weight 0.11000E+01 volume 4229.76660 ppm1 6.9992404 ppm2 8.8748178
  OR ( resid 31 and name HD2 )
     ( resid 32 and name HN )
ASSI ( resid 11 and name HN )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 26 weight 0.11000E+01 volume 5512.35254 ppm1 7.2285557 ppm2 8.6578979
ASSI ( resid 9 and name HN )
     ( resid 8 and name HN )
     6.0 0.1 0.1 peak 27 weight 0.11000E+01 volume 3658.80371 ppm1 7.1710844 ppm2 8.7046328
ASSI ( resid 38 and name HD1 )
     ( resid 38 and name HE1 )
     6.0 0.1 0.1 peak 28 weight 0.11000E+01 volume 18353.08594 ppm1 6.8735151 ppm2 9.6135035
ASSI ( resid 5 and name HD1 )
     ( resid 6 and name HN )
     6.0 0.1 0.1 peak 29 weight 0.11000E+01 volume 1803.10120 ppm1 6.8508177 ppm2 9.1535063
ASSI ( resid 11 and name HD2 )
     ( resid 12 and name HN )
     6.0 0.1 0.1 peak 30 weight 0.11000E+01 volume 3391.10498 ppm1 6.8364601 ppm2 8.9537649
  OR ( resid 11 and name HD1 )
     ( resid 12 and name HN )
ASSI ( resid 5 and name HD1 )
     ( resid 8 and name HN )
     6.0 0.1 0.1 peak 31 weight 0.11000E+01 volume 2497.22754 ppm1 6.8497462 ppm2 8.6935463
  OR ( resid 5 and name HE1 )
     ( resid 8 and name HN )
ASSI ( resid 37 and name HN )
     ( resid 38 and name HN )
     6.0 0.1 0.1 peak 32 weight 0.11000E+01 volume 11104.09863 ppm1 7.7716141 ppm2 8.0730343
ASSI ( resid 9 and name HN )
     ( resid 10 and name HN )
     6.0 0.1 0.1 peak 33 weight 0.11000E+01 volume 12485.32617 ppm1 7.1704578 ppm2 8.2358475
ASSI ( resid 39 and name HN )
     ( resid 38 and name HN )
     6.0 0.1 0.1 peak 34 weight 0.11000E+01 volume 3142.49927 ppm1 7.1897192 ppm2 8.0719080
ASSI ( resid 20 and name HN )
     ( resid 19 and name HN )
     6.0 0.1 0.1 peak 35 weight 0.11000E+01 volume 7157.99561 ppm1 7.2597432 ppm2 8.0553093
ASSI ( resid 38 and name HE3 )
     ( resid 38 and name HN )
     6.0 0.1 0.1 peak 36 weight 0.11000E+01 volume 2015.76160 ppm1 7.3726468 ppm2 8.0754213
ASSI ( resid 31 and name HD2 )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 37 weight 0.11000E+01 volume 1514.34119 ppm1 6.9977474 ppm2 8.1221533
ASSI ( resid 38 and name HZ2 )
     ( resid 40 and name HE3 )
     6.0 0.1 0.1 peak 38 weight 0.11000E+01 volume 2305.27197 ppm1 7.3386426 ppm2 7.7112241
ASSI ( resid 41 and name HN )
     ( resid 40 and name HN )
     6.0 0.1 0.1 peak 39 weight 0.11000E+01 volume 6676.42139 ppm1 7.2947378 ppm2 7.6662073
ASSI ( resid 40 and name HZ3 )
     ( resid 40 and name HE3 )
     6.0 0.1 0.1 peak 40 weight 0.11000E+01 volume 25224.53320 ppm1 7.2014141 ppm2 7.7145391
ASSI ( resid 40 and name HH2 )
     ( resid 40 and name HZ2 )
     6.0 0.1 0.1 peak 41 weight 0.11000E+01 volume 19928.52930 ppm1 7.1640964 ppm2 7.5186901
ASSI ( resid 20 and name HE22 )
     ( resid 20 and name HE21 )
     6.0 0.1 0.1 peak 42 weight 0.11000E+01 volume 85604.12500 ppm1 6.9910421 ppm2 7.6421609
  OR ( resid 20 and name HE22 )
     ( resid 15 and name HN )
  OR ( resid 14 and name HD22 )
     ( resid 20 and name HE21 )
  OR ( resid 14 and name HD22 )
     ( resid 15 and name HN )
  OR ( resid 31 and name HD1 )
     ( resid 20 and name HE21 )
  OR ( resid 31 and name HD1 )
     ( resid 15 and name HN )
  OR ( resid 31 and name HE1 )
     ( resid 20 and name HE21 )
  OR ( resid 31 and name HE1 )
     ( resid 15 and name HN )
ASSI ( resid 14 and name HD22 )
     ( resid 14 and name HD21 )
     6.0 0.1 0.1 peak 43 weight 0.11000E+01 volume 117926.04688 ppm1 6.9795728 ppm2 7.7337685
ASSI ( resid 38 and name HH2 )
     ( resid 40 and name HE3 )
     6.0 0.1 0.1 peak 44 weight 0.11000E+01 volume 3227.94116 ppm1 7.0703530 ppm2 7.7166910
ASSI ( resid 31 and name HD1 )
     ( resid 31 and name HN )
     6.0 0.1 0.1 peak 45 weight 0.11000E+01 volume 5465.28760 ppm1 7.0018821 ppm2 7.8543296
  OR ( resid 31 and name HE1 )
     ( resid 31 and name HN )
  OR ( resid 31 and name HD2 )
     ( resid 31 and name HN )
  OR ( resid 31 and name HE2 )
     ( resid 31 and name HN )
ASSI ( resid 11 and name HD1 )
     ( resid 20 and name HE21 )
     6.0 0.1 0.1 peak 46 weight 0.11000E+01 volume 8093.98975 ppm1 6.8479795 ppm2 7.6618643
  OR ( resid 11 and name HD2 )
     ( resid 20 and name HE21 )
ASSI ( resid 38 and name HH2 )
     ( resid 38 and name HZ2 )
     6.0 0.1 0.1 peak 47 weight 0.11000E+01 volume 35234.27344 ppm1 7.0654445 ppm2 7.3383737
ASSI ( resid 38 and name HZ3 )
     ( resid 38 and name HE3 )
     6.0 0.1 0.1 peak 48 weight 0.11000E+01 volume 32169.21484 ppm1 6.9122434 ppm2 7.3700237
ASSI ( resid 38 and name HD1 )
     ( resid 38 and name HN )
     6.0 0.1 0.1 peak 49 weight 0.11000E+01 volume 1687.82886 ppm1 6.8738523 ppm2 8.0700359
ASSI ( resid 11 and name HE1 )
     ( resid 20 and name HE21 )
     6.0 0.1 0.1 peak 50 weight 0.11000E+01 volume 4725.39502 ppm1 6.7210913 ppm2 7.6416545
  OR ( resid 11 and name HE2 )
     ( resid 20 and name HE21 )
ASSI ( resid 11 and name HE1 )
     ( resid 11 and name HN )
     6.0 0.1 0.1 peak 51 weight 0.11000E+01 volume 1625.71997 ppm1 6.7231193 ppm2 7.2370853
  OR ( resid 11 and name HE2 )
     ( resid 11 and name HN )
ASSI ( resid 22 and name HZ3 )
     ( resid 22 and name HH2 )
     6.0 0.1 0.1 peak 52 weight 0.11000E+01 volume 33292.82031 ppm1 6.9224429 ppm2 7.2359099
  OR ( resid 22 and name HZ3 )
     ( resid 40 and name HD1 )
  OR ( resid 38 and name HZ3 )
     ( resid 22 and name HH2 )
  OR ( resid 38 and name HZ3 )
     ( resid 40 and name HD1 )
ASSI ( resid 11 and name HD1 )
     ( resid 11 and name HN )
     6.0 0.1 0.1 peak 53 weight 0.11000E+01 volume 7511.03320 ppm1 6.8380284 ppm2 7.2223964
  OR ( resid 11 and name HD2 )
     ( resid 11 and name HN )
ASSI ( resid 38 and name HD1 )
     ( resid 39 and name HN )
     6.0 0.1 0.1 peak 54 weight 0.11000E+01 volume 8371.57129 ppm1 6.8652344 ppm2 7.1933227
ASSI ( resid 11 and name HE2 )
     ( resid 20 and name HE22 )
     6.0 0.1 0.1 peak 55 weight 0.11000E+01 volume 7968.18750 ppm1 6.7158899 ppm2 6.9848108
  OR ( resid 11 and name HE1 )
     ( resid 20 and name HE22 )
ASSI ( resid 38 and name HZ3 )
     ( resid 38 and name HH2 )
     6.0 0.1 0.1 peak 56 weight 0.11000E+01 volume 27820.35938 ppm1 6.9129539 ppm2 7.0739923
ASSI ( resid 11 and name HE1 )
     ( resid 11 and name HD1 )
     6.0 0.1 0.1 peak 57 weight 0.11000E+01 volume 72998.96875 ppm1 6.7234650 ppm2 6.8364272
  OR ( resid 11 and name HE1 )
     ( resid 11 and name HD2 )
  OR ( resid 11 and name HE2 )
     ( resid 11 and name HD1 )
  OR ( resid 11 and name HE2 )
     ( resid 11 and name HD2 )
ASSI ( resid 12 and name HN )
     ( resid 12 and name HA )
     6.0 0.1 0.1 peak 58 weight 0.11000E+01 volume 4918.15918 ppm1 8.9608307 ppm2 5.8977637
ASSI ( resid 29 and name HN )
     ( resid 28 and name HA )
     6.0 0.1 0.1 peak 59 weight 0.11000E+01 volume 4706.68359 ppm1 9.0206842 ppm2 5.1401081
ASSI ( resid 33 and name HN )
     ( resid 12 and name HA )
     6.0 0.1 0.1 peak 60 weight 0.11000E+01 volume 3690.28003 ppm1 8.6572866 ppm2 5.8973498
ASSI ( resid 25 and name HN )
     ( resid 25 and name HA )
     6.0 0.1 0.1 peak 61 weight 0.11000E+01 volume 2778.92163 ppm1 9.5385027 ppm2 5.0948272
ASSI ( resid 22 and name HN )
     ( resid 22 and name HA )
     6.0 0.1 0.1 peak 62 weight 0.11000E+01 volume 6296.74512 ppm1 9.2203941 ppm2 4.8939652
  OR ( resid 22 and name HN )
     ( resid 33 and name HA )
ASSI ( resid 6 and name HN )
     ( resid 6 and name HA )
     6.0 0.1 0.1 peak 63 weight 0.11000E+01 volume 4734.64014 ppm1 9.1518288 ppm2 5.0435066
ASSI ( resid 32 and name HN )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 64 weight 0.11000E+01 volume 3238.43848 ppm1 8.8685942 ppm2 4.8788714
ASSI ( resid 12 and name HN )
     ( resid 11 and name HA )
     6.0 0.1 0.1 peak 65 weight 0.11000E+01 volume 24418.99219 ppm1 8.9543886 ppm2 4.7625613
ASSI ( resid 32 and name HN )
     ( resid 31 and name HA )
     6.0 0.1 0.1 peak 66 weight 0.11000E+01 volume 27389.96875 ppm1 8.8770609 ppm2 5.1180482
ASSI ( resid 3 and name HN )
     ( resid 25 and name HA )
     6.0 0.1 0.1 peak 67 weight 0.11000E+01 volume 10473.95996 ppm1 8.8245268 ppm2 5.0927186
ASSI ( resid 34 and name HN )
     ( resid 33 and name HA )
     6.0 0.1 0.1 peak 68 weight 0.11000E+01 volume 45868.25391 ppm1 8.7827168 ppm2 4.8974481
  OR ( resid 34 and name HN )
     ( resid 22 and name HA )
ASSI ( resid 33 and name HN )
     ( resid 33 and name HA )
     6.0 0.1 0.1 peak 69 weight 0.11000E+01 volume 17040.59180 ppm1 8.6587582 ppm2 4.8883176
  OR ( resid 33 and name HN )
     ( resid 32 and name HA )
  OR ( resid 33 and name HN )
     ( resid 22 and name HA )
ASSI ( resid 24 and name HN )
     ( resid 23 and name HA )
     6.0 0.1 0.1 peak 70 weight 0.11000E+01 volume 10598.21875 ppm1 8.5772858 ppm2 4.8585143
ASSI ( resid 14 and name HN )
     ( resid 14 and name HA )
     6.0 0.1 0.1 peak 71 weight 0.11000E+01 volume 2060.11060 ppm1 8.7209597 ppm2 4.7574821
ASSI ( resid 34 and name HN )
     ( resid 34 and name HA )
     6.0 0.1 0.1 peak 72 weight 0.11000E+01 volume 7268.21436 ppm1 8.7772036 ppm2 4.7039013
ASSI ( resid 14 and name HN )
     ( resid 13 and name HA )
     6.0 0.1 0.1 peak 73 weight 0.11000E+01 volume 14055.90430 ppm1 8.7201061 ppm2 4.6882629
ASSI ( resid 18 and name HN )
     ( resid 17 and name HA )
     6.0 0.1 0.1 peak 74 weight 0.11000E+01 volume 16858.10156 ppm1 8.7927446 ppm2 4.6375809
ASSI ( resid 3 and name HN )
     ( resid 3 and name HA )
     6.0 0.1 0.1 peak 75 weight 0.11000E+01 volume 8250.34375 ppm1 8.8226500 ppm2 4.5921946
ASSI ( resid 32 and name HN )
     ( resid 24 and name HA )
     6.0 0.1 0.1 peak 76 weight 0.11000E+01 volume 6936.50781 ppm1 8.8769236 ppm2 4.6828399
ASSI ( resid 33 and name HN )
     ( resid 10 and name HA1 )
     6.0 0.1 0.1 peak 77 weight 0.11000E+01 volume 3258.99463 ppm1 8.6637182 ppm2 4.6576681
ASSI ( resid 36 and name HN )
     ( resid 20 and name HA )
     6.0 0.1 0.1 peak 78 weight 0.11000E+01 volume 8268.70605 ppm1 8.6216431 ppm2 4.5770407
  OR ( resid 36 and name HN )
     ( resid 19 and name HB )
ASSI ( resid 36 and name HN )
     ( resid 35 and name HA )
     6.0 0.1 0.1 peak 79 weight 0.11000E+01 volume 39831.75781 ppm1 8.6227865 ppm2 4.6198182
ASSI ( resid 24 and name HN )
     ( resid 24 and name HA )
     6.0 0.1 0.1 peak 80 weight 0.11000E+01 volume 6514.31689 ppm1 8.5772858 ppm2 4.6828399
ASSI ( resid 8 and name HN )
     ( resid 7 and name HA )
     6.0 0.1 0.1 peak 81 weight 0.11000E+01 volume 20149.41211 ppm1 8.7031670 ppm2 4.5241055
ASSI ( resid 4 and name HN )
     ( resid 3 and name HA )
     6.0 0.1 0.1 peak 82 weight 0.11000E+01 volume 10079.11230 ppm1 8.9464684 ppm2 4.5945282
ASSI ( resid 6 and name HN )
     ( resid 5 and name HA )
     6.0 0.1 0.1 peak 83 weight 0.11000E+01 volume 16018.93262 ppm1 9.1535063 ppm2 4.6480966
ASSI ( resid 21 and name HN )
     ( resid 20 and name HA )
     6.0 0.1 0.1 peak 84 weight 0.11000E+01 volume 29438.87109 ppm1 9.1646338 ppm2 4.5726690
ASSI ( resid 25 and name HN )
     ( resid 24 and name HA )
     6.0 0.1 0.1 peak 85 weight 0.11000E+01 volume 17648.47461 ppm1 9.5408859 ppm2 4.6816154
ASSI ( resid 22 and name HE1 )
     ( resid 18 and name HA )
     6.0 0.1 0.1 peak 86 weight 0.11000E+01 volume 3687.30151 ppm1 9.5690355 ppm2 4.3998809
ASSI ( resid 25 and name HN )
     ( resid 24 and name HB )
     6.0 0.1 0.1 peak 87 weight 0.11000E+01 volume 4676.48242 ppm1 9.5424433 ppm2 4.2159390
ASSI ( resid 22 and name HN )
     ( resid 21 and name HA )
     6.0 0.1 0.1 peak 88 weight 0.11000E+01 volume 52484.22266 ppm1 9.2215576 ppm2 4.2649040
ASSI ( resid 21 and name HN )
     ( resid 21 and name HA )
     6.0 0.1 0.1 peak 89 weight 0.11000E+01 volume 7057.34766 ppm1 9.1627169 ppm2 4.2684011
ASSI ( resid 21 and name HN )
     ( resid 36 and name HA )
     6.0 0.1 0.1 peak 90 weight 0.11000E+01 volume 1565.49304 ppm1 9.1652546 ppm2 4.1664596
ASSI ( resid 3 and name HN )
     ( resid 2 and name HA )
     6.0 0.1 0.1 peak 91 weight 0.11000E+01 volume 40182.28906 ppm1 8.8232355 ppm2 4.4290795
ASSI ( resid 18 and name HN )
     ( resid 18 and name HA )
     6.0 0.1 0.1 peak 92 weight 0.11000E+01 volume 8728.60156 ppm1 8.7936935 ppm2 4.4021802
ASSI ( resid 2 and name HN )
     ( resid 2 and name HA )
     6.0 0.1 0.1 peak 93 weight 0.11000E+01 volume 3826.70508 ppm1 8.6571198 ppm2 4.4306703
ASSI ( resid 24 and name HN )
     ( resid 2 and name HA )
     6.0 0.1 0.1 peak 94 weight 0.11000E+01 volume 5928.06543 ppm1 8.5757227 ppm2 4.4306574
ASSI ( resid 24 and name HN )
     ( resid 24 and name HB )
     6.0 0.1 0.1 peak 95 weight 0.11000E+01 volume 9593.70312 ppm1 8.5779600 ppm2 4.2158756
ASSI ( resid 8 and name HN )
     ( resid 8 and name HA )
     6.0 0.1 0.1 peak 96 weight 0.11000E+01 volume 9154.95508 ppm1 8.7030611 ppm2 4.1430182
ASSI ( resid 18 and name HN )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 97 weight 0.11000E+01 volume 7463.39551 ppm1 8.7923021 ppm2 4.0756297
ASSI ( resid 36 and name HN )
     ( resid 36 and name HA )
     6.0 0.1 0.1 peak 98 weight 0.11000E+01 volume 12661.60938 ppm1 8.6226959 ppm2 4.1715832
ASSI ( resid 17 and name HN )
     ( resid 16 and name HA )
     6.0 0.1 0.1 peak 99 weight 0.11000E+01 volume 1555.92896 ppm1 8.3762283 ppm2 4.8743744
ASSI ( resid 17 and name HN )
     ( resid 17 and name HA )
     6.0 0.1 0.1 peak 100 weight 0.11000E+01 volume 5696.54883 ppm1 8.3734255 ppm2 4.6370068
ASSI ( resid 10 and name HN )
     ( resid 10 and name HA1 )
     6.0 0.1 0.1 peak 101 weight 0.11000E+01 volume 13556.83691 ppm1 8.2387962 ppm2 4.6536083
ASSI ( resid 10 and name HN )
     ( resid 9 and name HA )
     6.0 0.1 0.1 peak 102 weight 0.11000E+01 volume 5717.69189 ppm1 8.2327576 ppm2 4.3414187
ASSI ( resid 10 and name HN )
     ( resid 8 and name HA )
     6.0 0.1 0.1 peak 103 weight 0.11000E+01 volume 3797.39771 ppm1 8.2372837 ppm2 4.1420617
ASSI ( resid 17 and name HN )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 104 weight 0.11000E+01 volume 4017.32910 ppm1 8.3803129 ppm2 4.0756092
ASSI ( resid 19 and name HN )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 105 weight 0.11000E+01 volume 788.96399 ppm1 8.0533628 ppm2 4.0708137
ASSI ( resid 38 and name HN )
     ( resid 37 and name HB1 )
     6.0 0.1 0.1 peak 106 weight 0.11000E+01 volume 736.49463 ppm1 8.0728474 ppm2 4.1066566
ASSI ( resid 38 and name HN )
     ( resid 37 and name HA )
     6.0 0.1 0.1 peak 107 weight 0.11000E+01 volume 6555.63477 ppm1 8.0712156 ppm2 4.2799621
ASSI ( resid 38 and name HN )
     ( resid 36 and name HA )
     6.0 0.1 0.1 peak 108 weight 0.11000E+01 volume 2725.95679 ppm1 8.0728474 ppm2 4.1704860
ASSI ( resid 38 and name HN )
     ( resid 38 and name HA )
     6.0 0.1 0.1 peak 109 weight 0.11000E+01 volume 13145.97461 ppm1 8.0721149 ppm2 4.2170863
ASSI ( resid 19 and name HN )
     ( resid 18 and name HA )
     6.0 0.1 0.1 peak 110 weight 0.11000E+01 volume 7327.30859 ppm1 8.0549517 ppm2 4.4004483
ASSI ( resid 19 and name HN )
     ( resid 19 and name HA )
     6.0 0.1 0.1 peak 111 weight 0.11000E+01 volume 8296.53027 ppm1 8.0579653 ppm2 4.4713092
ASSI ( resid 19 and name HN )
     ( resid 19 and name HB )
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ASSI ( resid 26 and name HN )
     ( resid 26 and name HA )
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ASSI ( resid 23 and name HN )
     ( resid 22 and name HA )
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  OR ( resid 23 and name HN )
     ( resid 33 and name HA )
  OR ( resid 23 and name HN )
     ( resid 32 and name HA )
ASSI ( resid 26 and name HN )
     ( resid 25 and name HA )
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ASSI ( resid 28 and name HN )
     ( resid 28 and name HA )
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ASSI ( resid 22 and name HD1 )
     ( resid 22 and name HA )
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ASSI ( resid 15 and name HN )
     ( resid 14 and name HA )
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ASSI ( resid 15 and name HN )
     ( resid 13 and name HA )
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ASSI ( resid 20 and name HE21 )
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ASSI ( resid 37 and name HN )
     ( resid 35 and name HA )
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ASSI ( resid 15 and name HN )
     ( resid 16 and name HN )
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  OR ( resid 20 and name HE21 )
     ( resid 16 and name HN )
ASSI ( resid 37 and name HN )
     ( resid 37 and name HA )
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ASSI ( resid 40 and name HE3 )
     ( resid 40 and name HA )
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ASSI ( resid 40 and name HN )
     ( resid 40 and name HA )
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ASSI ( resid 37 and name HN )
     ( resid 36 and name HA )
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ASSI ( resid 37 and name HN )
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ASSI ( resid 40 and name HE3 )
     ( resid 39 and name HA )
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ASSI ( resid 40 and name HN )
     ( resid 39 and name HA )
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ASSI ( resid 15 and name HN )
     ( resid 15 and name HB )
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ASSI ( resid 15 and name HN )
     ( resid 15 and name HA )
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ASSI ( resid 38 and name HE3 )
     ( resid 39 and name HA )
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ASSI ( resid 41 and name HN )
     ( resid 41 and name HA )
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  OR ( resid 41 and name HN )
     ( resid 15 and name HB )
  OR ( resid 22 and name HZ2 )
     ( resid 41 and name HA )
  OR ( resid 22 and name HZ2 )
     ( resid 15 and name HB )
ASSI ( resid 22 and name HH2 )
     ( resid 15 and name HB )
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ASSI ( resid 5 and name HN )
     ( resid 4 and name HA )
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  OR ( resid 5 and name HN )
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  OR ( resid 40 and name HZ3 )
     ( resid 4 and name HA )
  OR ( resid 40 and name HZ3 )
     ( resid 1 and name HA )
ASSI ( resid 39 and name HN )
     ( resid 39 and name HA )
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ASSI ( resid 22 and name HH2 )
     ( resid 15 and name HA )
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ASSI ( resid 22 and name HZ2 )
     ( resid 15 and name HA )
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ASSI ( resid 28 and name HN )
     ( resid 27 and name HA1 )
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ASSI ( resid 9 and name HN )
     ( resid 8 and name HA )
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ASSI ( resid 39 and name HN )
     ( resid 38 and name HA )
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ASSI ( resid 40 and name HD1 )
     ( resid 40 and name HA )
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ASSI ( resid 41 and name HN )
     ( resid 40 and name HA )
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ASSI ( resid 38 and name HZ2 )
     ( resid 40 and name HA )
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ASSI ( resid 38 and name HE3 )
     ( resid 38 and name HA )
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  OR ( resid 38 and name HE3 )
     ( resid 40 and name HA )
ASSI ( resid 22 and name HD1 )
     ( resid 21 and name HA )
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ASSI ( resid 9 and name HN )
     ( resid 9 and name HA )
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ASSI ( resid 22 and name HZ2 )
     ( resid 16 and name HN )
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ASSI ( resid 22 and name HH2 )
     ( resid 16 and name HN )
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ASSI ( resid 20 and name HN )
     ( resid 19 and name HA )
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ASSI ( resid 28 and name HN )
     ( resid 26 and name HA )
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ASSI ( resid 20 and name HN )
     ( resid 20 and name HA )
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  OR ( resid 20 and name HN )
     ( resid 19 and name HB )
ASSI ( resid 9 and name HN )
     ( resid 7 and name HA )
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ASSI ( resid 5 and name HN )
     ( resid 3 and name HA )
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  OR ( resid 40 and name HZ3 )
     ( resid 3 and name HA )
ASSI ( resid 11 and name HN )
     ( resid 10 and name HA1 )
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ASSI ( resid 5 and name HN )
     ( resid 5 and name HA )
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ASSI ( resid 9 and name HN )
     ( resid 10 and name HA1 )
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ASSI ( resid 11 and name HN )
     ( resid 11 and name HA )
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ASSI ( resid 22 and name HZ2 )
     ( resid 22 and name HE3 )
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ASSI ( resid 22 and name HH2 )
     ( resid 22 and name HE3 )
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ASSI ( resid 31 and name HE1 )
     ( resid 22 and name HE3 )
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  OR ( resid 31 and name HD1 )
     ( resid 22 and name HE3 )
  OR ( resid 31 and name HE2 )
     ( resid 22 and name HE3 )
  OR ( resid 31 and name HD2 )
     ( resid 22 and name HE3 )
ASSI ( resid 22 and name HZ3 )
     ( resid 22 and name HE3 )
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ASSI ( resid 31 and name HD1 )
     ( resid 31 and name HA )
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  OR ( resid 31 and name HD2 )
     ( resid 31 and name HA )
ASSI ( resid 5 and name HD1 )
     ( resid 6 and name HA )
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ASSI ( resid 20 and name HE22 )
     ( resid 16 and name HA )
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  OR ( resid 20 and name HE22 )
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  OR ( resid 20 and name HE22 )
     ( resid 33 and name HA )
  OR ( resid 20 and name HE22 )
     ( resid 22 and name HA )
  OR ( resid 31 and name HD1 )
     ( resid 16 and name HA )
  OR ( resid 31 and name HD1 )
     ( resid 32 and name HA )
  OR ( resid 31 and name HD1 )
     ( resid 33 and name HA )
  OR ( resid 31 and name HD1 )
     ( resid 22 and name HA )
  OR ( resid 31 and name HD2 )
     ( resid 16 and name HA )
  OR ( resid 31 and name HD2 )
     ( resid 32 and name HA )
  OR ( resid 31 and name HD2 )
     ( resid 33 and name HA )
  OR ( resid 31 and name HD2 )
     ( resid 22 and name HA )
ASSI ( resid 20 and name HE22 )
     ( resid 11 and name HA )
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  OR ( resid 20 and name HE22 )
     ( resid 14 and name HA )
  OR ( resid 31 and name HD1 )
     ( resid 11 and name HA )
  OR ( resid 31 and name HD1 )
     ( resid 14 and name HA )
  OR ( resid 31 and name HE1 )
     ( resid 11 and name HA )
  OR ( resid 31 and name HE1 )
     ( resid 14 and name HA )
ASSI ( resid 31 and name HD1 )
     ( resid 24 and name HA )
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  OR ( resid 31 and name HE2 )
     ( resid 24 and name HA )
  OR ( resid 31 and name HD2 )
     ( resid 24 and name HA )
ASSI ( resid 11 and name HD1 )
     ( resid 11 and name HA )
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  OR ( resid 11 and name HD2 )
     ( resid 11 and name HA )
ASSI ( resid 5 and name HD1 )
     ( resid 5 and name HA )
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  OR ( resid 5 and name HD1 )
     ( resid 10 and name HA1 )
  OR ( resid 5 and name HD2 )
     ( resid 5 and name HA )
  OR ( resid 5 and name HD2 )
     ( resid 10 and name HA1 )
  OR ( resid 11 and name HD1 )
     ( resid 5 and name HA )
  OR ( resid 11 and name HD1 )
     ( resid 10 and name HA1 )
ASSI ( resid 5 and name HD1 )
     ( resid 7 and name HA )
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  OR ( resid 5 and name HE1 )
     ( resid 7 and name HA )
ASSI ( resid 31 and name HD1 )
     ( resid 30 and name HA )
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  OR ( resid 31 and name HE1 )
     ( resid 30 and name HA )
ASSI ( resid 20 and name HE22 )
     ( resid 16 and name HN )
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  OR ( resid 31 and name HE1 )
     ( resid 16 and name HN )
ASSI ( resid 22 and name HZ3 )
     ( resid 16 and name HN )
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ASSI ( resid 38 and name HH2 )
     ( resid 40 and name HA )
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ASSI ( resid 31 and name HE2 )
     ( resid 24 and name HB )
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  OR ( resid 31 and name HD2 )
     ( resid 24 and name HB )
ASSI ( resid 31 and name HD1 )
     ( resid 15 and name HA )
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  OR ( resid 31 and name HE1 )
     ( resid 15 and name HA )
ASSI ( resid 31 and name HE1 )
     ( resid 15 and name HB )
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ASSI ( resid 22 and name HZ3 )
     ( resid 15 and name HB )
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ASSI ( resid 22 and name HZ3 )
     ( resid 15 and name HA )
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ASSI ( resid 38 and name HZ3 )
     ( resid 40 and name HA )
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ASSI ( resid 38 and name HD1 )
     ( resid 38 and name HA )
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ASSI ( resid 5 and name HD1 )
     ( resid 7 and name HD1 )
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  OR ( resid 5 and name HE1 )
     ( resid 7 and name HD1 )
ASSI ( resid 5 and name HD2 )
     ( resid 4 and name HA )
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  OR ( resid 5 and name HD1 )
     ( resid 4 and name HA )
ASSI ( resid 11 and name HD2 )
     ( resid 13 and name HB1 )
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ASSI ( resid 11 and name HD2 )
     ( resid 13 and name HB2 )
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ASSI ( resid 20 and name HE22 )
     ( resid 17 and name HB2 )
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  OR ( resid 20 and name HE22 )
     ( resid 35 and name HD1 )
ASSI ( resid 11 and name HE2 )
     ( resid 13 and name HB2 )
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ASSI ( resid 11 and name HE2 )
     ( resid 13 and name HB1 )
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ASSI ( resid 11 and name HE2 )
     ( resid 10 and name HA1 )
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  OR ( resid 11 and name HE2 )
     ( resid 13 and name HA )
  OR ( resid 11 and name HE1 )
     ( resid 10 and name HA1 )
  OR ( resid 11 and name HE1 )
     ( resid 13 and name HA )
ASSI ( resid 11 and name HE2 )
     ( resid 16 and name HA )
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ASSI ( resid 11 and name HD1 )
     ( resid 11 and name HB1 )
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  OR ( resid 11 and name HD2 )
     ( resid 11 and name HB1 )
ASSI ( resid 5 and name HD2 )
     ( resid 5 and name HB1 )
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  OR ( resid 5 and name HD1 )
     ( resid 5 and name HB1 )
  OR ( resid 5 and name HE2 )
     ( resid 5 and name HB1 )
ASSI ( resid 38 and name HD1 )
     ( resid 38 and name HB1 )
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ASSI ( resid 38 and name HD1 )
     ( resid 38 and name HB2 )
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ASSI ( resid 11 and name HD1 )
     ( resid 10 and name HA2 )
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ASSI ( resid 38 and name HZ3 )
     ( resid 40 and name HB1 )
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  OR ( resid 38 and name HZ3 )
     ( resid 40 and name HB2 )
ASSI ( resid 11 and name HE1 )
     ( resid 11 and name HB1 )
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  OR ( resid 11 and name HE2 )
     ( resid 11 and name HB1 )
ASSI ( resid 5 and name HE2 )
     ( resid 4 and name HE2 )
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  OR ( resid 5 and name HE2 )
     ( resid 4 and name HE1 )
  OR ( resid 5 and name HD2 )
     ( resid 4 and name HE2 )
  OR ( resid 5 and name HD2 )
     ( resid 4 and name HE1 )
  OR ( resid 5 and name HE1 )
     ( resid 4 and name HE2 )
  OR ( resid 5 and name HE1 )
     ( resid 4 and name HE1 )
ASSI ( resid 14 and name HD22 )
     ( resid 14 and name HB1 )
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  OR ( resid 14 and name HD22 )
     ( resid 14 and name HB2 )
ASSI ( resid 11 and name HE2 )
     ( resid 11 and name HB2 )
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  OR ( resid 11 and name HE1 )
     ( resid 11 and name HB2 )
ASSI ( resid 5 and name HD1 )
     ( resid 5 and name HB2 )
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  OR ( resid 5 and name HD1 )
     ( resid 11 and name HB2 )
  OR ( resid 11 and name HD2 )
     ( resid 5 and name HB2 )
  OR ( resid 11 and name HD2 )
     ( resid 11 and name HB2 )
  OR ( resid 5 and name HD2 )
     ( resid 5 and name HB2 )
  OR ( resid 5 and name HD2 )
     ( resid 11 and name HB2 )
  OR ( resid 11 and name HD1 )
     ( resid 5 and name HB2 )
  OR ( resid 11 and name HD1 )
     ( resid 11 and name HB2 )
  OR ( resid 5 and name HE1 )
     ( resid 5 and name HB2 )
  OR ( resid 5 and name HE1 )
     ( resid 11 and name HB2 )
  OR ( resid 5 and name HE2 )
     ( resid 5 and name HB2 )
  OR ( resid 5 and name HE2 )
     ( resid 11 and name HB2 )
ASSI ( resid 31 and name HD2 )
     ( resid 31 and name HB1 )
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  OR ( resid 31 and name HD1 )
     ( resid 31 and name HB1 )
  OR ( resid 31 and name HE2 )
     ( resid 31 and name HB1 )
ASSI ( resid 11 and name HE2 )
     ( resid 33 and name HB1 )
     6.0 0.1 0.1 peak 203 weight 0.11000E+01 volume 3573.98193 ppm1 6.7224054 ppm2 2.3613989
ASSI ( resid 5 and name HD1 )
     ( resid 7 and name HB1 )
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  OR ( resid 5 and name HE1 )
     ( resid 7 and name HB1 )
ASSI ( resid 22 and name HZ3 )
     ( resid 31 and name HB2 )
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ASSI ( resid 31 and name HD1 )
     ( resid 31 and name HB2 )
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  OR ( resid 31 and name HD1 )
     ( resid 22 and name HB2 )
  OR ( resid 31 and name HD2 )
     ( resid 31 and name HB2 )
  OR ( resid 31 and name HD2 )
     ( resid 22 and name HB2 )
  OR ( resid 31 and name HE1 )
     ( resid 31 and name HB2 )
  OR ( resid 31 and name HE1 )
     ( resid 22 and name HB2 )
  OR ( resid 31 and name HE2 )
     ( resid 31 and name HB2 )
  OR ( resid 31 and name HE2 )
     ( resid 22 and name HB2 )
ASSI ( resid 20 and name HE22 )
     ( resid 20 and name HG1 )
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  OR ( resid 20 and name HE22 )
     ( resid 30 and name HG2 )
  OR ( resid 20 and name HE22 )
     ( resid 30 and name HG1 )
  OR ( resid 20 and name HE22 )
     ( resid 33 and name HB1 )
  OR ( resid 31 and name HD1 )
     ( resid 20 and name HG1 )
  OR ( resid 31 and name HD1 )
     ( resid 30 and name HG2 )
  OR ( resid 31 and name HD1 )
     ( resid 30 and name HG1 )
  OR ( resid 31 and name HD1 )
     ( resid 33 and name HB1 )
  OR ( resid 31 and name HE1 )
     ( resid 20 and name HG1 )
  OR ( resid 31 and name HE1 )
     ( resid 30 and name HG2 )
  OR ( resid 31 and name HE1 )
     ( resid 30 and name HG1 )
  OR ( resid 31 and name HE1 )
     ( resid 33 and name HB1 )
ASSI ( resid 20 and name HE22 )
     ( resid 20 and name HG2 )
     6.0 0.1 0.1 peak 208 weight 0.11000E+01 volume 4212.21094 ppm1 6.9893832 ppm2 2.2526116
ASSI ( resid 31 and name HD2 )
     ( resid 30 and name HE1 )
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  OR ( resid 31 and name HE2 )
     ( resid 30 and name HE1 )
ASSI ( resid 5 and name HD1 )
     ( resid 4 and name HB1 )
     6.0 0.1 0.1 peak 210 weight 0.11000E+01 volume 18504.70508 ppm1 6.8525481 ppm2 1.8670634
  OR ( resid 5 and name HE1 )
     ( resid 4 and name HB1 )
  OR ( resid 5 and name HD2 )
     ( resid 4 and name HB1 )
  OR ( resid 5 and name HE2 )
     ( resid 4 and name HB1 )
ASSI ( resid 31 and name HD1 )
     ( resid 30 and name HB1 )
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  OR ( resid 31 and name HD1 )
     ( resid 20 and name HB1 )
  OR ( resid 31 and name HD1 )
     ( resid 30 and name HB2 )
  OR ( resid 20 and name HE22 )
     ( resid 30 and name HB1 )
  OR ( resid 20 and name HE22 )
     ( resid 20 and name HB1 )
  OR ( resid 20 and name HE22 )
     ( resid 30 and name HB2 )
  OR ( resid 31 and name HE1 )
     ( resid 30 and name HB1 )
  OR ( resid 31 and name HE1 )
     ( resid 20 and name HB1 )
  OR ( resid 31 and name HE1 )
     ( resid 30 and name HB2 )
ASSI ( resid 5 and name HD1 )
     ( resid 4 and name HB2 )
     6.0 0.1 0.1 peak 212 weight 0.11000E+01 volume 6719.56689 ppm1 6.8534956 ppm2 1.7382712
  OR ( resid 5 and name HE1 )
     ( resid 4 and name HB2 )
  OR ( resid 5 and name HD2 )
     ( resid 4 and name HB2 )
  OR ( resid 5 and name HE2 )
     ( resid 4 and name HB2 )
ASSI ( resid 20 and name HN )
     ( resid 17 and name HB2 )
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ASSI ( resid 28 and name HN )
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ASSI ( resid 38 and name HH2 )
     ( resid 40 and name HB1 )
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  OR ( resid 38 and name HH2 )
     ( resid 40 and name HB2 )
ASSI ( resid 5 and name HN )
     ( resid 25 and name HB1 )
     6.0 0.1 0.1 peak 216 weight 0.11000E+01 volume 1418.93591 ppm1 7.1892610 ppm2 3.3708787
ASSI ( resid 39 and name HN )
     ( resid 38 and name HB2 )
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  OR ( resid 39 and name HN )
     ( resid 26 and name HB2 )
  OR ( resid 5 and name HN )
     ( resid 38 and name HB2 )
  OR ( resid 5 and name HN )
     ( resid 26 and name HB2 )
ASSI ( resid 39 and name HN )
     ( resid 38 and name HB1 )
     6.0 0.1 0.1 peak 218 weight 0.11000E+01 volume 7949.39404 ppm1 7.1911097 ppm2 3.2558486
  OR ( resid 39 and name HN )
     ( resid 26 and name HB1 )
  OR ( resid 5 and name HN )
     ( resid 38 and name HB1 )
  OR ( resid 5 and name HN )
     ( resid 26 and name HB1 )
ASSI ( resid 11 and name HN )
     ( resid 10 and name HA2 )
     6.0 0.1 0.1 peak 219 weight 0.11000E+01 volume 14816.51270 ppm1 7.2298622 ppm2 3.2539594
ASSI ( resid 40 and name HD1 )
     ( resid 40 and name HB1 )
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  OR ( resid 40 and name HD1 )
     ( resid 40 and name HB2 )
ASSI ( resid 38 and name HE3 )
     ( resid 38 and name HB1 )
     6.0 0.1 0.1 peak 221 weight 0.11000E+01 volume 14645.10059 ppm1 7.3716497 ppm2 3.2597187
ASSI ( resid 38 and name HE3 )
     ( resid 38 and name HB2 )
     6.0 0.1 0.1 peak 222 weight 0.11000E+01 volume 11488.71777 ppm1 7.3704176 ppm2 3.1801651
ASSI ( resid 28 and name HN )
     ( resid 25 and name HB2 )
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ASSI ( resid 41 and name HN )
     ( resid 40 and name HB2 )
     6.0 0.1 0.1 peak 224 weight 0.11000E+01 volume 5683.84229 ppm1 7.2964759 ppm2 3.1715648
  OR ( resid 41 and name HN )
     ( resid 40 and name HB1 )
ASSI ( resid 28 and name HN )
     ( resid 28 and name HB1 )
     6.0 0.1 0.1 peak 225 weight 0.11000E+01 volume 6325.70410 ppm1 7.3315983 ppm2 3.0232079
ASSI ( resid 22 and name HD1 )
     ( resid 22 and name HB1 )
     6.0 0.1 0.1 peak 226 weight 0.11000E+01 volume 4924.71582 ppm1 7.3706732 ppm2 2.9789777
ASSI ( resid 11 and name HN )
     ( resid 11 and name HB2 )
     6.0 0.1 0.1 peak 227 weight 0.11000E+01 volume 1479.29150 ppm1 7.2314019 ppm2 2.8608294
ASSI ( resid 5 and name HN )
     ( resid 5 and name HB2 )
     6.0 0.1 0.1 peak 228 weight 0.11000E+01 volume 3654.68848 ppm1 7.1970439 ppm2 2.8526964
ASSI ( resid 20 and name HN )
     ( resid 16 and name HB1 )
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ASSI ( resid 22 and name HD1 )
     ( resid 16 and name HB1 )
     6.0 0.1 0.1 peak 230 weight 0.11000E+01 volume 1573.65906 ppm1 7.3706441 ppm2 2.7293885
ASSI ( resid 28 and name HN )
     ( resid 28 and name HB2 )
     6.0 0.1 0.1 peak 231 weight 0.11000E+01 volume 2708.72681 ppm1 7.3322144 ppm2 2.5805030
ASSI ( resid 22 and name HD1 )
     ( resid 22 and name HB2 )
     6.0 0.1 0.1 peak 232 weight 0.11000E+01 volume 2432.35083 ppm1 7.3706493 ppm2 2.5377617
ASSI ( resid 38 and name HZ2 )
     ( resid 7 and name HB1 )
     6.0 0.1 0.1 peak 233 weight 0.11000E+01 volume 1255.90564 ppm1 7.3373308 ppm2 2.4776576
ASSI ( resid 9 and name HN )
     ( resid 7 and name HB1 )
     6.0 0.1 0.1 peak 234 weight 0.11000E+01 volume 2590.53491 ppm1 7.1738582 ppm2 2.4732523
ASSI ( resid 20 and name HN )
     ( resid 20 and name HG1 )
     6.0 0.1 0.1 peak 235 weight 0.11000E+01 volume 9430.81250 ppm1 7.2610364 ppm2 2.3751976
ASSI ( resid 11 and name HN )
     ( resid 33 and name HB1 )
     6.0 0.1 0.1 peak 236 weight 0.11000E+01 volume 1520.53821 ppm1 7.2290735 ppm2 2.3682332
ASSI ( resid 20 and name HN )
     ( resid 20 and name HG2 )
     6.0 0.1 0.1 peak 237 weight 0.11000E+01 volume 4006.15771 ppm1 7.2619019 ppm2 2.2490008
ASSI ( resid 9 and name HN )
     ( resid 9 and name HB )
     6.0 0.1 0.1 peak 238 weight 0.11000E+01 volume 15705.92969 ppm1 7.1712646 ppm2 2.0247965
ASSI ( resid 9 and name HN )
     ( resid 8 and name HB2 )
     6.0 0.1 0.1 peak 239 weight 0.11000E+01 volume 7800.88135 ppm1 7.1718421 ppm2 1.9297388
  OR ( resid 9 and name HN )
     ( resid 8 and name HB1 )
ASSI ( resid 9 and name HN )
     ( resid 7 and name HB2 )
     6.0 0.1 0.1 peak 240 weight 0.11000E+01 volume 8342.04395 ppm1 7.1723819 ppm2 1.8769594
  OR ( resid 9 and name HN )
     ( resid 2 and name HB )
  OR ( resid 40 and name HH2 )
     ( resid 7 and name HB2 )
  OR ( resid 40 and name HH2 )
     ( resid 2 and name HB )
ASSI ( resid 20 and name HN )
     ( resid 20 and name HB2 )
     6.0 0.1 0.1 peak 241 weight 0.11000E+01 volume 9619.30566 ppm1 7.2609591 ppm2 1.8441416
ASSI ( resid 20 and name HN )
     ( resid 20 and name HB1 )
     6.0 0.1 0.1 peak 242 weight 0.11000E+01 volume 17982.33984 ppm1 7.2608013 ppm2 1.9242476
ASSI ( resid 22 and name HD1 )
     ( resid 20 and name HB1 )
     6.0 0.1 0.1 peak 243 weight 0.11000E+01 volume 804.42639 ppm1 7.3714147 ppm2 1.9244521
ASSI ( resid 22 and name HD1 )
     ( resid 20 and name HB2 )
     6.0 0.1 0.1 peak 244 weight 0.11000E+01 volume 927.92517 ppm1 7.3708739 ppm2 1.8437504
ASSI ( resid 5 and name HN )
     ( resid 4 and name HB1 )
     6.0 0.1 0.1 peak 245 weight 0.11000E+01 volume 9805.35059 ppm1 7.1974664 ppm2 1.8707718
ASSI ( resid 38 and name HH2 )
     ( resid 7 and name HG1 )
     6.0 0.1 0.1 peak 246 weight 0.11000E+01 volume 1550.03528 ppm1 7.0729389 ppm2 1.7543477
ASSI ( resid 9 and name HN )
     ( resid 7 and name HG1 )
     6.0 0.1 0.1 peak 247 weight 0.11000E+01 volume 1454.63916 ppm1 7.1783390 ppm2 1.7467495
ASSI ( resid 38 and name HZ2 )
     ( resid 7 and name HG1 )
     6.0 0.1 0.1 peak 248 weight 0.11000E+01 volume 2673.18604 ppm1 7.3389239 ppm2 1.7579615
ASSI ( resid 38 and name HE3 )
     ( resid 21 and name HB )
     6.0 0.1 0.1 peak 249 weight 0.11000E+01 volume 771.70758 ppm1 7.3731561 ppm2 1.7144434
ASSI ( resid 38 and name HE3 )
     ( resid 21 and name HG11 )
     6.0 0.1 0.1 peak 250 weight 0.11000E+01 volume 715.12872 ppm1 7.3708739 ppm2 1.6363089
ASSI ( resid 41 and name HN )
     ( resid 41 and name HB2 )
     6.0 0.1 0.1 peak 251 weight 0.11000E+01 volume 3083.53760 ppm1 7.2949734 ppm2 1.6329176
  OR ( resid 41 and name HN )
     ( resid 41 and name HB1 )
ASSI ( resid 41 and name HN )
     ( resid 41 and name HD2 )
     6.0 0.1 0.1 peak 252 weight 0.11000E+01 volume 6650.51660 ppm1 7.2967043 ppm2 1.5413606
  OR ( resid 41 and name HN )
     ( resid 41 and name HD1 )
ASSI ( resid 5 and name HN )
     ( resid 3 and name HB1 )
     6.0 0.1 0.1 peak 253 weight 0.11000E+01 volume 18765.76953 ppm1 7.1965785 ppm2 1.6555856
  OR ( resid 5 and name HN )
     ( resid 3 and name HG )
  OR ( resid 40 and name HZ3 )
     ( resid 3 and name HB1 )
  OR ( resid 40 and name HZ3 )
     ( resid 3 and name HG )
ASSI ( resid 9 and name HN )
     ( resid 8 and name HG2 )
     6.0 0.1 0.1 peak 254 weight 0.11000E+01 volume 1508.34595 ppm1 7.1643400 ppm2 1.5888348
  OR ( resid 9 and name HN )
     ( resid 8 and name HG1 )
ASSI ( resid 39 and name HN )
     ( resid 39 and name HD2 )
     6.0 0.1 0.1 peak 255 weight 0.11000E+01 volume 6527.85107 ppm1 7.1880975 ppm2 1.5183476
  OR ( resid 39 and name HN )
     ( resid 39 and name HD1 )
ASSI ( resid 31 and name HN )
     ( resid 30 and name HB2 )
     6.0 0.1 0.1 peak 256 weight 0.11000E+01 volume 8701.33789 ppm1 7.8705502 ppm2 1.9093627
  OR ( resid 31 and name HN )
     ( resid 30 and name HB1 )
ASSI ( resid 37 and name HN )
     ( resid 35 and name HB2 )
     6.0 0.1 0.1 peak 257 weight 0.11000E+01 volume 9196.30859 ppm1 7.7720618 ppm2 2.0902097
ASSI ( resid 37 and name HN )
     ( resid 35 and name HG2 )
     6.0 0.1 0.1 peak 258 weight 0.11000E+01 volume 2539.88135 ppm1 7.7712383 ppm2 2.1603739
ASSI ( resid 20 and name HE21 )
     ( resid 20 and name HG2 )
     6.0 0.1 0.1 peak 259 weight 0.11000E+01 volume 10120.22949 ppm1 7.6426115 ppm2 2.2524037
ASSI ( resid 20 and name HE21 )
     ( resid 20 and name HG1 )
     6.0 0.1 0.1 peak 260 weight 0.11000E+01 volume 9185.37305 ppm1 7.6414657 ppm2 2.3708825
  OR ( resid 20 and name HE21 )
     ( resid 30 and name HG1 )
  OR ( resid 20 and name HE21 )
     ( resid 33 and name HB1 )
  OR ( resid 15 and name HN )
     ( resid 20 and name HG1 )
  OR ( resid 15 and name HN )
     ( resid 30 and name HG1 )
  OR ( resid 15 and name HN )
     ( resid 33 and name HB1 )
ASSI ( resid 37 and name HN )
     ( resid 35 and name HB1 )
     6.0 0.1 0.1 peak 261 weight 0.11000E+01 volume 3557.82446 ppm1 7.7725258 ppm2 2.5143824
ASSI ( resid 15 and name HN )
     ( resid 14 and name HB2 )
     6.0 0.1 0.1 peak 262 weight 0.11000E+01 volume 7722.64990 ppm1 7.6417265 ppm2 2.9836032
  OR ( resid 15 and name HN )
     ( resid 14 and name HB1 )
ASSI ( resid 14 and name HD21 )
     ( resid 14 and name HB1 )
     6.0 0.1 0.1 peak 263 weight 0.11000E+01 volume 12347.62988 ppm1 7.7341537 ppm2 2.9885485
  OR ( resid 14 and name HD21 )
     ( resid 14 and name HB2 )
ASSI ( resid 40 and name HE3 )
     ( resid 40 and name HB2 )
     6.0 0.1 0.1 peak 264 weight 0.11000E+01 volume 14256.40820 ppm1 7.7187490 ppm2 3.1705327
  OR ( resid 40 and name HE3 )
     ( resid 40 and name HB1 )
ASSI ( resid 40 and name HN )
     ( resid 40 and name HB1 )
     6.0 0.1 0.1 peak 265 weight 0.11000E+01 volume 23882.75586 ppm1 7.6691723 ppm2 3.1703701
  OR ( resid 40 and name HN )
     ( resid 40 and name HB2 )
ASSI ( resid 37 and name HN )
     ( resid 38 and name HB2 )
     6.0 0.1 0.1 peak 266 weight 0.11000E+01 volume 1379.46143 ppm1 7.7712383 ppm2 3.1824012
ASSI ( resid 26 and name HN )
     ( resid 26 and name HB2 )
     6.0 0.1 0.1 peak 267 weight 0.11000E+01 volume 6172.35889 ppm1 7.8464451 ppm2 3.1903999
ASSI ( resid 26 and name HN )
     ( resid 26 and name HB1 )
     6.0 0.1 0.1 peak 268 weight 0.11000E+01 volume 7612.71582 ppm1 7.8442674 ppm2 3.2506454
ASSI ( resid 26 and name HN )
     ( resid 25 and name HB1 )
     6.0 0.1 0.1 peak 269 weight 0.11000E+01 volume 1798.64661 ppm1 7.8420992 ppm2 3.3724556
ASSI ( resid 15 and name HN )
     ( resid 13 and name HB2 )
     6.0 0.1 0.1 peak 270 weight 0.11000E+01 volume 7525.66064 ppm1 7.6410193 ppm2 3.7739217
  OR ( resid 15 and name HN )
     ( resid 17 and name HB2 )
  OR ( resid 20 and name HE21 )
     ( resid 13 and name HB2 )
  OR ( resid 20 and name HE21 )
     ( resid 17 and name HB2 )
ASSI ( resid 26 and name HN )
     ( resid 4 and name HA )
     6.0 0.1 0.1 peak 271 weight 0.11000E+01 volume 743.19702 ppm1 7.8488698 ppm2 3.9834130
ASSI ( resid 37 and name HN )
     ( resid 37 and name HB2 )
     6.0 0.1 0.1 peak 272 weight 0.11000E+01 volume 11223.74219 ppm1 7.7700524 ppm2 3.8479006
ASSI ( resid 15 and name HN )
     ( resid 13 and name HB1 )
     6.0 0.1 0.1 peak 273 weight 0.11000E+01 volume 2222.95288 ppm1 7.6403422 ppm2 3.9222643
  OR ( resid 20 and name HE21 )
     ( resid 13 and name HB1 )
ASSI ( resid 38 and name HN )
     ( resid 37 and name HB2 )
     6.0 0.1 0.1 peak 274 weight 0.11000E+01 volume 929.34198 ppm1 8.0737734 ppm2 3.8573306
ASSI ( resid 19 and name HN )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 275 weight 0.11000E+01 volume 1430.95007 ppm1 8.0622501 ppm2 3.7812033
ASSI ( resid 17 and name HN )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 276 weight 0.11000E+01 volume 6381.48730 ppm1 8.3769522 ppm2 3.7822783
ASSI ( resid 38 and name HN )
     ( resid 38 and name HB1 )
     6.0 0.1 0.1 peak 277 weight 0.11000E+01 volume 28547.49414 ppm1 8.0715876 ppm2 3.2545755
ASSI ( resid 38 and name HN )
     ( resid 38 and name HB2 )
     6.0 0.1 0.1 peak 278 weight 0.11000E+01 volume 24699.42383 ppm1 8.0716887 ppm2 3.1840971
ASSI ( resid 10 and name HN )
     ( resid 10 and name HA2 )
     6.0 0.1 0.1 peak 279 weight 0.11000E+01 volume 23331.37891 ppm1 8.2364340 ppm2 3.2548997
ASSI ( resid 23 and name HN )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 280 weight 0.11000E+01 volume 1507.08435 ppm1 8.1294136 ppm2 2.8074663
ASSI ( resid 23 and name HN )
     ( resid 22 and name HB2 )
     6.0 0.1 0.1 peak 281 weight 0.11000E+01 volume 1413.14136 ppm1 8.1271391 ppm2 2.5374348
ASSI ( resid 23 and name HN )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 282 weight 0.11000E+01 volume 676.36023 ppm1 8.1257248 ppm2 2.2666745
ASSI ( resid 38 and name HN )
     ( resid 35 and name HG2 )
     6.0 0.1 0.1 peak 283 weight 0.11000E+01 volume 3349.27905 ppm1 8.0731964 ppm2 2.1657312
  OR ( resid 38 and name HN )
     ( resid 35 and name HG1 )
ASSI ( resid 38 and name HN )
     ( resid 35 and name HB2 )
     6.0 0.1 0.1 peak 284 weight 0.11000E+01 volume 3492.61572 ppm1 8.0716772 ppm2 2.0879443
ASSI ( resid 19 and name HN )
     ( resid 18 and name HB2 )
     6.0 0.1 0.1 peak 285 weight 0.11000E+01 volume 4012.95654 ppm1 8.0530386 ppm2 2.0073154
  OR ( resid 19 and name HN )
     ( resid 18 and name HB1 )
ASSI ( resid 10 and name HN )
     ( resid 9 and name HB )
     6.0 0.1 0.1 peak 286 weight 0.11000E+01 volume 1069.15540 ppm1 8.2309465 ppm2 2.0251613
ASSI ( resid 10 and name HN )
     ( resid 7 and name HB2 )
     6.0 0.1 0.1 peak 287 weight 0.11000E+01 volume 1998.20068 ppm1 8.2364845 ppm2 1.8740667
ASSI ( resid 17 and name HN )
     ( resid 20 and name HB2 )
     6.0 0.1 0.1 peak 288 weight 0.11000E+01 volume 990.20709 ppm1 8.3790359 ppm2 1.8371854
ASSI ( resid 17 and name HN )
     ( resid 20 and name HB1 )
     6.0 0.1 0.1 peak 289 weight 0.11000E+01 volume 5469.44531 ppm1 8.3762665 ppm2 1.9299836
ASSI ( resid 17 and name HN )
     ( resid 20 and name HG1 )
     6.0 0.1 0.1 peak 290 weight 0.11000E+01 volume 1456.95422 ppm1 8.3700361 ppm2 2.3678010
  OR ( resid 17 and name HN )
     ( resid 33 and name HB1 )
ASSI ( resid 17 and name HN )
     ( resid 16 and name HB1 )
     6.0 0.1 0.1 peak 291 weight 0.11000E+01 volume 12310.40430 ppm1 8.3743591 ppm2 2.7286966
ASSI ( resid 2 and name HN )
     ( resid 1 and name HA )
     6.0 0.1 0.1 peak 292 weight 0.11000E+01 volume 20218.09766 ppm1 8.6594601 ppm2 3.9777555
ASSI ( resid 14 and name HN )
     ( resid 13 and name HB2 )
     6.0 0.1 0.1 peak 293 weight 0.11000E+01 volume 2139.90381 ppm1 8.7180147 ppm2 3.7696657
ASSI ( resid 18 and name HN )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 294 weight 0.11000E+01 volume 4000.62988 ppm1 8.7923307 ppm2 3.7789872
ASSI ( resid 14 and name HN )
     ( resid 13 and name HB1 )
     6.0 0.1 0.1 peak 295 weight 0.11000E+01 volume 1332.09717 ppm1 8.7214327 ppm2 3.9245520
ASSI ( resid 3 and name HN )
     ( resid 25 and name HB2 )
     6.0 0.1 0.1 peak 296 weight 0.11000E+01 volume 1186.70618 ppm1 8.8217382 ppm2 3.1665678
ASSI ( resid 14 and name HN )
     ( resid 14 and name HB1 )
     6.0 0.1 0.1 peak 297 weight 0.11000E+01 volume 14580.73926 ppm1 8.7200489 ppm2 2.9919026
  OR ( resid 14 and name HN )
     ( resid 14 and name HB2 )
ASSI ( resid 32 and name HN )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 298 weight 0.11000E+01 volume 19153.48047 ppm1 8.8764973 ppm2 2.8086858
ASSI ( resid 33 and name HN )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 299 weight 0.11000E+01 volume 2132.74023 ppm1 8.6579380 ppm2 2.8237197
ASSI ( resid 32 and name HN )
     ( resid 31 and name HB2 )
     6.0 0.1 0.1 peak 300 weight 0.11000E+01 volume 3830.02441 ppm1 8.8758059 ppm2 2.5166879
ASSI ( resid 34 and name HN )
     ( resid 33 and name HB1 )
     6.0 0.1 0.1 peak 301 weight 0.11000E+01 volume 3882.80518 ppm1 8.7857342 ppm2 2.3631010
ASSI ( resid 32 and name HN )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 302 weight 0.11000E+01 volume 14601.72852 ppm1 8.8752575 ppm2 2.2623398
ASSI ( resid 8 and name HN )
     ( resid 7 and name HB1 )
     6.0 0.1 0.1 peak 303 weight 0.11000E+01 volume 3469.06519 ppm1 8.7026348 ppm2 2.4695117
ASSI ( resid 33 and name HN )
     ( resid 31 and name HB2 )
     6.0 0.1 0.1 peak 304 weight 0.11000E+01 volume 605.32458 ppm1 8.6589212 ppm2 2.5197637
ASSI ( resid 33 and name HN )
     ( resid 33 and name HB1 )
     6.0 0.1 0.1 peak 305 weight 0.11000E+01 volume 6158.75000 ppm1 8.6582317 ppm2 2.3608272
ASSI ( resid 36 and name HN )
     ( resid 20 and name HG1 )
     6.0 0.1 0.1 peak 306 weight 0.11000E+01 volume 815.66602 ppm1 8.6217155 ppm2 2.3769162
ASSI ( resid 36 and name HN )
     ( resid 35 and name HB1 )
     6.0 0.1 0.1 peak 307 weight 0.11000E+01 volume 4806.17725 ppm1 8.6228218 ppm2 2.5105352
ASSI ( resid 33 and name HN )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 308 weight 0.11000E+01 volume 1493.45667 ppm1 8.6564674 ppm2 2.2526739
ASSI ( resid 36 and name HN )
     ( resid 20 and name HG2 )
     6.0 0.1 0.1 peak 309 weight 0.11000E+01 volume 1352.31006 ppm1 8.6232958 ppm2 2.2440462
ASSI ( resid 36 and name HN )
     ( resid 35 and name HG1 )
     6.0 0.1 0.1 peak 310 weight 0.11000E+01 volume 1122.50977 ppm1 8.6227798 ppm2 2.1571295
ASSI ( resid 36 and name HN )
     ( resid 35 and name HB2 )
     6.0 0.1 0.1 peak 311 weight 0.11000E+01 volume 4565.77246 ppm1 8.6232262 ppm2 2.0902097
ASSI ( resid 18 and name HN )
     ( resid 18 and name HB2 )
     6.0 0.1 0.1 peak 312 weight 0.11000E+01 volume 14290.67871 ppm1 8.7929506 ppm2 2.0111308
  OR ( resid 18 and name HN )
     ( resid 18 and name HB1 )
ASSI ( resid 8 and name HN )
     ( resid 7 and name HB2 )
     6.0 0.1 0.1 peak 313 weight 0.11000E+01 volume 4909.07715 ppm1 8.7027426 ppm2 1.8808610
ASSI ( resid 8 and name HN )
     ( resid 8 and name HB2 )
     6.0 0.1 0.1 peak 314 weight 0.11000E+01 volume 19302.59375 ppm1 8.7041273 ppm2 1.9343985
  OR ( resid 8 and name HN )
     ( resid 8 and name HB1 )
ASSI ( resid 2 and name HN )
     ( resid 2 and name HB )
     6.0 0.1 0.1 peak 315 weight 0.11000E+01 volume 8740.42480 ppm1 8.6585541 ppm2 1.8689039
ASSI ( resid 18 and name HN )
     ( resid 20 and name HB2 )
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  OR ( resid 34 and name HN )
     ( resid 20 and name HB2 )
ASSI ( resid 3 and name HN )
     ( resid 2 and name HB )
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ASSI ( resid 4 and name HN )
     ( resid 4 and name HB1 )
     6.0 0.1 0.1 peak 318 weight 0.11000E+01 volume 5916.17285 ppm1 8.9477997 ppm2 1.8546872
  OR ( resid 4 and name HN )
     ( resid 2 and name HB )
ASSI ( resid 29 and name HN )
     ( resid 29 and name HB2 )
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  OR ( resid 29 and name HN )
     ( resid 29 and name HB1 )
ASSI ( resid 21 and name HN )
     ( resid 20 and name HB2 )
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ASSI ( resid 21 and name HN )
     ( resid 20 and name HB1 )
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ASSI ( resid 21 and name HN )
     ( resid 20 and name HG2 )
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ASSI ( resid 21 and name HN )
     ( resid 20 and name HG1 )
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  OR ( resid 21 and name HN )
     ( resid 33 and name HB1 )
ASSI ( resid 22 and name HN )
     ( resid 22 and name HB2 )
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ASSI ( resid 6 and name HN )
     ( resid 6 and name HB2 )
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ASSI ( resid 6 and name HN )
     ( resid 5 and name HB2 )
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ASSI ( resid 12 and name HN )
     ( resid 12 and name HB2 )
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ASSI ( resid 12 and name HN )
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ASSI ( resid 22 and name HN )
     ( resid 22 and name HB1 )
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ASSI ( resid 6 and name HN )
     ( resid 6 and name HB1 )
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ASSI ( resid 6 and name HN )
     ( resid 5 and name HB1 )
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  OR ( resid 6 and name HN )
     ( resid 26 and name HB2 )
ASSI ( resid 12 and name HN )
     ( resid 11 and name HB1 )
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  OR ( resid 12 and name HN )
     ( resid 6 and name HB1 )
ASSI ( resid 12 and name HN )
     ( resid 12 and name HB1 )
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ASSI ( resid 4 and name HN )
     ( resid 4 and name HA )
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ASSI ( resid 22 and name HE1 )
     ( resid 16 and name HB1 )
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ASSI ( resid 25 and name HN )
     ( resid 24 and name HG21 )
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ASSI ( resid 38 and name HE1 )
     ( resid 9 and name HG21 )
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ASSI ( resid 22 and name HN )
     ( resid 21 and name HG11 )
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ASSI ( resid 22 and name HN )
     ( resid 21 and name HB )
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ASSI ( resid 21 and name HN )
     ( resid 21 and name HG11 )
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ASSI ( resid 21 and name HN )
     ( resid 21 and name HB )
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ASSI ( resid 22 and name HN )
     ( resid 21 and name HG12 )
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ASSI ( resid 21 and name HN )
     ( resid 21 and name HG12 )
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  OR ( resid 21 and name HN )
     ( resid 34 and name HB1 )
ASSI ( resid 22 and name HN )
     ( resid 21 and name HD11 )
     6.0 0.1 0.1 peak 344 weight 0.11000E+01 volume 1225.44116 ppm1 9.2207899 ppm2 1.1061808
ASSI ( resid 21 and name HN )
     ( resid 21 and name HD11 )
     6.0 0.1 0.1 peak 345 weight 0.11000E+01 volume 2910.15698 ppm1 9.1644049 ppm2 1.1134195
ASSI ( resid 22 and name HN )
     ( resid 21 and name HG21 )
     6.0 0.1 0.1 peak 346 weight 0.11000E+01 volume 14802.02832 ppm1 9.2216187 ppm2 0.9614076
ASSI ( resid 21 and name HN )
     ( resid 21 and name HG21 )
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ASSI ( resid 4 and name HN )
     ( resid 3 and name HB1 )
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  OR ( resid 4 and name HN )
     ( resid 3 and name HG )
ASSI ( resid 4 and name HN )
     ( resid 4 and name HD1 )
     6.0 0.1 0.1 peak 349 weight 0.11000E+01 volume 792.47052 ppm1 8.9494095 ppm2 1.5657253
ASSI ( resid 4 and name HN )
     ( resid 3 and name HB2 )
     6.0 0.1 0.1 peak 350 weight 0.11000E+01 volume 1044.06104 ppm1 8.9438744 ppm2 1.4323429
  OR ( resid 4 and name HN )
     ( resid 4 and name HG2 )
  OR ( resid 4 and name HN )
     ( resid 4 and name HG1 )
ASSI ( resid 32 and name HN )
     ( resid 23 and name HB1 )
     6.0 0.1 0.1 peak 351 weight 0.11000E+01 volume 4649.51270 ppm1 8.8791142 ppm2 1.4012030
ASSI ( resid 32 and name HN )
     ( resid 24 and name HG21 )
     6.0 0.1 0.1 peak 352 weight 0.11000E+01 volume 2606.57422 ppm1 8.8741388 ppm2 1.2607729
ASSI ( resid 3 and name HN )
     ( resid 3 and name HB1 )
     6.0 0.1 0.1 peak 353 weight 0.11000E+01 volume 17797.74219 ppm1 8.8221235 ppm2 1.6552927
  OR ( resid 3 and name HN )
     ( resid 3 and name HG )
ASSI ( resid 34 and name HN )
     ( resid 21 and name HB )
     6.0 0.1 0.1 peak 354 weight 0.11000E+01 volume 6615.74316 ppm1 8.7824087 ppm2 1.7046530
ASSI ( resid 3 and name HN )
     ( resid 3 and name HB2 )
     6.0 0.1 0.1 peak 355 weight 0.11000E+01 volume 14756.59570 ppm1 8.8238411 ppm2 1.4481752
ASSI ( resid 34 and name HN )
     ( resid 34 and name HB1 )
     6.0 0.1 0.1 peak 356 weight 0.11000E+01 volume 17729.07617 ppm1 8.7838135 ppm2 1.2950056
ASSI ( resid 34 and name HN )
     ( resid 34 and name HG )
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ASSI ( resid 34 and name HN )
     ( resid 34 and name HB2 )
     6.0 0.1 0.1 peak 358 weight 0.11000E+01 volume 7360.19531 ppm1 8.7829199 ppm2 1.0057844
ASSI ( resid 3 and name HN )
     ( resid 3 and name HD12 )
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  OR ( resid 3 and name HN )
     ( resid 3 and name HD13 )
  OR ( resid 3 and name HN )
     ( resid 3 and name HD11 )
ASSI ( resid 3 and name HN )
     ( resid 2 and name HG11 )
     6.0 0.1 0.1 peak 360 weight 0.11000E+01 volume 2424.91919 ppm1 8.8260469 ppm2 0.8615140
  OR ( resid 3 and name HN )
     ( resid 2 and name HG13 )
  OR ( resid 3 and name HN )
     ( resid 2 and name HG12 )
ASSI ( resid 4 and name HN )
     ( resid 3 and name HD11 )
     6.0 0.1 0.1 peak 361 weight 0.11000E+01 volume 1306.56665 ppm1 8.9471073 ppm2 0.9324529
  OR ( resid 4 and name HN )
     ( resid 3 and name HD13 )
  OR ( resid 4 and name HN )
     ( resid 3 and name HD12 )
ASSI ( resid 8 and name HN )
     ( resid 8 and name HG1 )
     6.0 0.1 0.1 peak 362 weight 0.11000E+01 volume 4324.39307 ppm1 8.7035217 ppm2 1.5899786
  OR ( resid 8 and name HN )
     ( resid 8 and name HG2 )
ASSI ( resid 2 and name HN )
     ( resid 41 and name HD2 )
     6.0 0.1 0.1 peak 363 weight 0.11000E+01 volume 3665.18335 ppm1 8.6571312 ppm2 1.5404480
  OR ( resid 2 and name HN )
     ( resid 41 and name HD1 )
ASSI ( resid 33 and name HN )
     ( resid 33 and name HB2 )
     6.0 0.1 0.1 peak 364 weight 0.11000E+01 volume 15584.04297 ppm1 8.6582470 ppm2 1.4589427
ASSI ( resid 36 and name HN )
     ( resid 36 and name HB1 )
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ASSI ( resid 24 and name HN )
     ( resid 23 and name HB1 )
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ASSI ( resid 24 and name HN )
     ( resid 24 and name HG21 )
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ASSI ( resid 36 and name HN )
     ( resid 19 and name HG21 )
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ASSI ( resid 36 and name HN )
     ( resid 21 and name HD11 )
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ASSI ( resid 2 and name HN )
     ( resid 1 and name HB1 )
     6.0 0.1 0.1 peak 370 weight 0.11000E+01 volume 1230.57715 ppm1 8.6572819 ppm2 1.6806153
ASSI ( resid 2 and name HN )
     ( resid 2 and name HG11 )
     6.0 0.1 0.1 peak 371 weight 0.11000E+01 volume 11949.64941 ppm1 8.6583958 ppm2 0.8659355
  OR ( resid 2 and name HN )
     ( resid 2 and name HG12 )
  OR ( resid 2 and name HN )
     ( resid 2 and name HG13 )
  OR ( resid 2 and name HN )
     ( resid 1 and name HD11 )
  OR ( resid 2 and name HN )
     ( resid 1 and name HD12 )
  OR ( resid 2 and name HN )
     ( resid 1 and name HD13 )
ASSI ( resid 2 and name HN )
     ( resid 2 and name HG21 )
     6.0 0.1 0.1 peak 372 weight 0.11000E+01 volume 2071.51929 ppm1 8.6639156 ppm2 0.6953402
  OR ( resid 2 and name HN )
     ( resid 2 and name HG22 )
  OR ( resid 2 and name HN )
     ( resid 2 and name HG23 )
ASSI ( resid 24 and name HN )
     ( resid 3 and name HD21 )
     6.0 0.1 0.1 peak 373 weight 0.11000E+01 volume 1215.20117 ppm1 8.5785103 ppm2 0.6938924
  OR ( resid 24 and name HN )
     ( resid 3 and name HD23 )
  OR ( resid 24 and name HN )
     ( resid 3 and name HD22 )
  OR ( resid 24 and name HN )
     ( resid 2 and name HG21 )
  OR ( resid 24 and name HN )
     ( resid 2 and name HG22 )
  OR ( resid 24 and name HN )
     ( resid 2 and name HG23 )
ASSI ( resid 24 and name HN )
     ( resid 2 and name HG11 )
     6.0 0.1 0.1 peak 374 weight 0.11000E+01 volume 1049.81018 ppm1 8.5751934 ppm2 0.8589339
  OR ( resid 24 and name HN )
     ( resid 2 and name HG12 )
  OR ( resid 24 and name HN )
     ( resid 2 and name HG13 )
ASSI ( resid 10 and name HN )
     ( resid 7 and name HG2 )
     6.0 0.1 0.1 peak 375 weight 0.11000E+01 volume 3249.84668 ppm1 8.2347355 ppm2 1.4102046
ASSI ( resid 10 and name HN )
     ( resid 9 and name HG12 )
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  OR ( resid 10 and name HN )
     ( resid 9 and name HG11 )
ASSI ( resid 23 and name HN )
     ( resid 23 and name HB1 )
     6.0 0.1 0.1 peak 377 weight 0.11000E+01 volume 24422.62500 ppm1 8.1252832 ppm2 1.3986228
ASSI ( resid 38 and name HN )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 378 weight 0.11000E+01 volume 1343.08301 ppm1 8.0709391 ppm2 1.5290956
ASSI ( resid 19 and name HN )
     ( resid 18 and name HG2 )
     6.0 0.1 0.1 peak 379 weight 0.11000E+01 volume 1219.13684 ppm1 8.0635653 ppm2 1.6341773
  OR ( resid 19 and name HN )
     ( resid 18 and name HG1 )
  OR ( resid 19 and name HN )
     ( resid 21 and name HG11 )
  OR ( resid 38 and name HN )
     ( resid 18 and name HG2 )
  OR ( resid 38 and name HN )
     ( resid 18 and name HG1 )
  OR ( resid 38 and name HN )
     ( resid 21 and name HG11 )
ASSI ( resid 19 and name HN )
     ( resid 19 and name HG21 )
     6.0 0.1 0.1 peak 380 weight 0.11000E+01 volume 6572.60107 ppm1 8.0545769 ppm2 1.2274739
ASSI ( resid 38 and name HN )
     ( resid 21 and name HD11 )
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ASSI ( resid 38 and name HN )
     ( resid 34 and name HB2 )
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ASSI ( resid 23 and name HN )
     ( resid 21 and name HG21 )
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ASSI ( resid 10 and name HN )
     ( resid 9 and name HG21 )
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ASSI ( resid 3 and name HN )
     ( resid 3 and name HD23 )
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  OR ( resid 3 and name HN )
     ( resid 3 and name HD21 )
  OR ( resid 3 and name HN )
     ( resid 3 and name HD22 )
  OR ( resid 3 and name HN )
     ( resid 2 and name HG22 )
  OR ( resid 3 and name HN )
     ( resid 2 and name HG23 )
  OR ( resid 3 and name HN )
     ( resid 2 and name HG21 )
ASSI ( resid 34 and name HN )
     ( resid 34 and name HD13 )
     6.0 0.1 0.1 peak 386 weight 0.11000E+01 volume 2601.28857 ppm1 8.7841644 ppm2 -0.0295204
  OR ( resid 34 and name HN )
     ( resid 34 and name HD11 )
  OR ( resid 34 and name HN )
     ( resid 34 and name HD12 )
ASSI ( resid 34 and name HN )
     ( resid 34 and name HD22 )
     6.0 0.1 0.1 peak 387 weight 0.11000E+01 volume 3520.74951 ppm1 8.7849760 ppm2 -0.2722468
  OR ( resid 34 and name HN )
     ( resid 34 and name HD23 )
  OR ( resid 34 and name HN )
     ( resid 34 and name HD21 )
ASSI ( resid 22 and name HE1 )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 388 weight 0.11000E+01 volume 5599.99414 ppm1 9.5692415 ppm2 -0.4849370
ASSI ( resid 17 and name HN )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 389 weight 0.11000E+01 volume 3783.16235 ppm1 8.3777952 ppm2 -0.4927465
ASSI ( resid 10 and name HN )
     ( resid 34 and name HD12 )
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  OR ( resid 10 and name HN )
     ( resid 34 and name HD13 )
  OR ( resid 10 and name HN )
     ( resid 34 and name HD11 )
ASSI ( resid 23 and name HN )
     ( resid 34 and name HD22 )
     6.0 0.1 0.1 peak 391 weight 0.11000E+01 volume 968.93597 ppm1 8.1265011 ppm2 -0.2715588
  OR ( resid 23 and name HN )
     ( resid 34 and name HD23 )
  OR ( resid 23 and name HN )
     ( resid 34 and name HD21 )
ASSI ( resid 26 and name HN )
     ( resid 2 and name HG21 )
     6.0 0.1 0.1 peak 392 weight 0.11000E+01 volume 1022.63428 ppm1 7.8436971 ppm2 0.7003714
  OR ( resid 26 and name HN )
     ( resid 2 and name HG22 )
  OR ( resid 26 and name HN )
     ( resid 2 and name HG23 )
ASSI ( resid 40 and name HE3 )
     ( resid 3 and name HD11 )
     6.0 0.1 0.1 peak 393 weight 0.11000E+01 volume 2052.74561 ppm1 7.7201490 ppm2 0.9406950
  OR ( resid 40 and name HE3 )
     ( resid 3 and name HD12 )
  OR ( resid 40 and name HE3 )
     ( resid 3 and name HD13 )
ASSI ( resid 37 and name HN )
     ( resid 21 and name HD11 )
     6.0 0.1 0.1 peak 394 weight 0.11000E+01 volume 831.87732 ppm1 7.7676249 ppm2 1.1101500
ASSI ( resid 40 and name HN )
     ( resid 39 and name HG2 )
     6.0 0.1 0.1 peak 395 weight 0.11000E+01 volume 2393.52368 ppm1 7.6670814 ppm2 1.1546441
  OR ( resid 40 and name HN )
     ( resid 39 and name HG1 )
ASSI ( resid 14 and name HD21 )
     ( resid 15 and name HG21 )
     6.0 0.1 0.1 peak 396 weight 0.11000E+01 volume 887.85492 ppm1 7.7339287 ppm2 1.2401139
ASSI ( resid 15 and name HN )
     ( resid 15 and name HG21 )
     6.0 0.1 0.1 peak 397 weight 0.11000E+01 volume 7103.01562 ppm1 7.6408033 ppm2 1.2382394
ASSI ( resid 40 and name HN )
     ( resid 39 and name HB1 )
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  OR ( resid 40 and name HN )
     ( resid 39 and name HB2 )
ASSI ( resid 40 and name HN )
     ( resid 39 and name HD2 )
     6.0 0.1 0.1 peak 399 weight 0.11000E+01 volume 6023.57129 ppm1 7.6695971 ppm2 1.5189785
  OR ( resid 40 and name HN )
     ( resid 39 and name HD1 )
ASSI ( resid 37 and name HN )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 400 weight 0.11000E+01 volume 10873.07129 ppm1 7.7723904 ppm2 1.5294129
ASSI ( resid 38 and name HZ2 )
     ( resid 7 and name HG2 )
     6.0 0.1 0.1 peak 401 weight 0.11000E+01 volume 3590.08203 ppm1 7.3419900 ppm2 1.4091296
ASSI ( resid 38 and name HE3 )
     ( resid 34 and name HB1 )
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  OR ( resid 38 and name HE3 )
     ( resid 21 and name HG12 )
ASSI ( resid 38 and name HE3 )
     ( resid 21 and name HD11 )
     6.0 0.1 0.1 peak 403 weight 0.11000E+01 volume 7798.83545 ppm1 7.3705397 ppm2 1.1151941
ASSI ( resid 22 and name HD1 )
     ( resid 21 and name HG21 )
     6.0 0.1 0.1 peak 404 weight 0.11000E+01 volume 10051.39062 ppm1 7.3714275 ppm2 0.9706753
  OR ( resid 38 and name HE3 )
     ( resid 21 and name HG21 )
ASSI ( resid 38 and name HE3 )
     ( resid 1 and name HD11 )
     6.0 0.1 0.1 peak 405 weight 0.11000E+01 volume 2611.80835 ppm1 7.3722281 ppm2 0.8639652
  OR ( resid 38 and name HE3 )
     ( resid 1 and name HD13 )
  OR ( resid 38 and name HE3 )
     ( resid 1 and name HD12 )
ASSI ( resid 40 and name HZ2 )
     ( resid 21 and name HG21 )
     6.0 0.1 0.1 peak 406 weight 0.11000E+01 volume 2769.37427 ppm1 7.5184493 ppm2 0.9550596
ASSI ( resid 22 and name HD1 )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 407 weight 0.11000E+01 volume 5310.48438 ppm1 7.3708410 ppm2 -0.4870201
ASSI ( resid 22 and name HZ2 )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 408 weight 0.11000E+01 volume 2286.06689 ppm1 7.2842903 ppm2 -0.4862624
ASSI ( resid 38 and name HE3 )
     ( resid 34 and name HD21 )
     6.0 0.1 0.1 peak 409 weight 0.11000E+01 volume 4213.99609 ppm1 7.3722281 ppm2 -0.2697957
  OR ( resid 38 and name HE3 )
     ( resid 34 and name HD22 )
  OR ( resid 38 and name HE3 )
     ( resid 34 and name HD23 )
ASSI ( resid 38 and name HZ2 )
     ( resid 34 and name HD21 )
     6.0 0.1 0.1 peak 410 weight 0.11000E+01 volume 1470.55701 ppm1 7.3382320 ppm2 -0.2741389
  OR ( resid 38 and name HZ2 )
     ( resid 34 and name HD22 )
  OR ( resid 38 and name HZ2 )
     ( resid 34 and name HD23 )
ASSI ( resid 38 and name HE3 )
     ( resid 34 and name HD11 )
     6.0 0.1 0.1 peak 411 weight 0.11000E+01 volume 2433.19312 ppm1 7.3730798 ppm2 -0.0306548
  OR ( resid 38 and name HE3 )
     ( resid 34 and name HD13 )
  OR ( resid 38 and name HE3 )
     ( resid 34 and name HD12 )
ASSI ( resid 11 and name HN )
     ( resid 34 and name HD11 )
     6.0 0.1 0.1 peak 412 weight 0.11000E+01 volume 922.67657 ppm1 7.2358446 ppm2 -0.0287748
  OR ( resid 11 and name HN )
     ( resid 34 and name HD12 )
  OR ( resid 11 and name HN )
     ( resid 34 and name HD13 )
ASSI ( attr store1 < 7.2098088 and attr store1 > 7.1698088 )
     ( attr store1 < -0.2541389 and attr store1 > -0.2941389 )
     6.0 0.1 0.1 peak 413 weight 0.11000E+01 volume 724.37531 ppm1 7.1898088 ppm2 -0.2741389
ASSI ( resid 9 and name HN )
     ( resid 34 and name HD11 )
     6.0 0.1 0.1 peak 414 weight 0.11000E+01 volume 1252.02649 ppm1 7.1741762 ppm2 -0.0347667
  OR ( resid 9 and name HN )
     ( resid 34 and name HD12 )
  OR ( resid 9 and name HN )
     ( resid 34 and name HD13 )
ASSI ( resid 38 and name HZ2 )
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  OR ( resid 38 and name HZ2 )
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ASSI ( resid 40 and name HZ3 )
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ASSI ( resid 40 and name HH2 )
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  OR ( resid 40 and name HH2 )
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ASSI ( resid 38 and name HZ2 )
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ASSI ( resid 38 and name HZ2 )
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ASSI ( resid 40 and name HD1 )
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  OR ( resid 40 and name HD1 )
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ASSI ( resid 40 and name HD1 )
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  OR ( resid 40 and name HD1 )
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ASSI ( resid 9 and name HN )
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  OR ( resid 9 and name HN )
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ASSI ( resid 40 and name HZ3 )
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  OR ( resid 40 and name HZ3 )
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ASSI ( resid 9 and name HN )
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ASSI ( resid 41 and name HN )
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ASSI ( resid 40 and name HD1 )
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ASSI ( resid 39 and name HN )
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ASSI ( resid 22 and name HZ2 )
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ASSI ( resid 22 and name HH2 )
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ASSI ( resid 11 and name HN )
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ASSI ( resid 5 and name HN )
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  OR ( resid 5 and name HN )
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ASSI ( resid 9 and name HN )
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  OR ( resid 9 and name HN )
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ASSI ( resid 39 and name HN )
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  OR ( resid 39 and name HN )
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ASSI ( resid 40 and name HD1 )
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  OR ( resid 40 and name HD1 )
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ASSI ( resid 38 and name HH2 )
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ASSI ( resid 31 and name HD2 )
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ASSI ( resid 31 and name HE1 )
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  OR ( resid 31 and name HD1 )
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ASSI ( resid 38 and name HZ3 )
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ASSI ( resid 5 and name HE2 )
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  OR ( resid 5 and name HE2 )
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  OR ( resid 5 and name HD2 )
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  OR ( resid 5 and name HD2 )
     ( resid 4 and name HD2 )
  OR ( resid 5 and name HD1 )
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  OR ( resid 5 and name HD1 )
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ASSI ( resid 5 and name HD2 )
     ( resid 4 and name HG2 )
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  OR ( resid 5 and name HD2 )
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  OR ( resid 5 and name HD1 )
     ( resid 4 and name HG2 )
  OR ( resid 5 and name HD1 )
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  OR ( resid 5 and name HE2 )
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  OR ( resid 5 and name HE2 )
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ASSI ( resid 38 and name HD1 )
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ASSI ( resid 38 and name HD1 )
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ASSI ( resid 38 and name HD1 )
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ASSI ( resid 38 and name HZ3 )
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ASSI ( resid 38 and name HZ3 )
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  OR ( resid 38 and name HZ3 )
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  OR ( resid 38 and name HZ3 )
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  OR ( resid 38 and name HZ3 )
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  OR ( resid 38 and name HZ3 )
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  OR ( resid 38 and name HZ3 )
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ASSI ( resid 38 and name HD1 )
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ASSI ( resid 38 and name HH2 )
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  OR ( resid 38 and name HH2 )
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  OR ( resid 38 and name HH2 )
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ASSI ( resid 38 and name HH2 )
     ( resid 1 and name HD13 )
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  OR ( resid 38 and name HH2 )
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  OR ( resid 38 and name HH2 )
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ASSI ( resid 38 and name HH2 )
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  OR ( resid 38 and name HH2 )
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  OR ( resid 38 and name HH2 )
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ASSI ( resid 38 and name HZ3 )
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  OR ( resid 38 and name HZ3 )
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  OR ( resid 38 and name HZ3 )
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ASSI ( resid 5 and name HD1 )
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  OR ( resid 5 and name HE1 )
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ASSI ( resid 38 and name HZ3 )
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  OR ( resid 38 and name HZ3 )
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  OR ( resid 38 and name HZ3 )
     ( resid 34 and name HD13 )
ASSI ( resid 38 and name HD1 )
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  OR ( resid 38 and name HD1 )
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  OR ( resid 38 and name HD1 )
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ASSI ( resid 38 and name HD1 )
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  OR ( resid 38 and name HD1 )
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  OR ( resid 38 and name HD1 )
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ASSI ( resid 38 and name HZ3 )
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  OR ( resid 38 and name HZ3 )
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  OR ( resid 38 and name HZ3 )
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ASSI ( resid 38 and name HH2 )
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  OR ( resid 38 and name HH2 )
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  OR ( resid 38 and name HH2 )
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ASSI ( resid 38 and name HZ3 )
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ASSI ( resid 38 and name HZ3 )
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ASSI ( resid 11 and name HE2 )
     ( resid 33 and name HB2 )
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ASSI ( resid 11 and name HD1 )
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  OR ( resid 11 and name HD2 )
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ASSI ( resid 11 and name HN )
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ASSI ( resid 6 and name HN )
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ASSI ( resid 38 and name HN )
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! derived from the 2D file(s):
! /home/meudal/Galline/Aria/noes-d2o-080710.xpk
ASSI ( resid 32 and name HA )
     ( resid 12 and name HA )
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ASSI ( resid 22 and name HA )
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ASSI ( resid 22 and name HE3 )
     ( resid 15 and name HA )
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ASSI ( resid 12 and name HA )
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ASSI ( resid 6 and name HA )
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ASSI ( resid 19 and name HB )
     ( resid 19 and name HA )
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  OR ( resid 20 and name HA )
     ( resid 19 and name HA )
ASSI ( resid 24 and name HA )
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ASSI ( resid 20 and name HA )
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ASSI ( resid 17 and name HA )
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ASSI ( resid 7 and name HA )
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  OR ( resid 7 and name HA )
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ASSI ( resid 2 and name HA )
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ASSI ( resid 13 and name HA )
     ( resid 13 and name HB1 )
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ASSI ( resid 34 and name HA )
     ( resid 35 and name HD1 )
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ASSI ( resid 17 and name HA )
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ASSI ( resid 37 and name HA )
     ( resid 37 and name HB1 )
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ASSI ( resid 37 and name HA )
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ASSI ( resid 37 and name HB1 )
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ASSI ( resid 27 and name HA1 )
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ASSI ( resid 17 and name HB1 )
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ASSI ( resid 13 and name HB1 )
     ( resid 13 and name HB2 )
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ASSI ( resid 12 and name HA )
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ASSI ( resid 12 and name HA )
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ASSI ( resid 22 and name HE3 )
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ASSI ( resid 25 and name HA )
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ASSI ( resid 6 and name HA )
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ASSI ( resid 25 and name HA )
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ASSI ( resid 6 and name HA )
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ASSI ( resid 28 and name HA )
     ( resid 28 and name HB1 )
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ASSI ( resid 31 and name HA )
     ( resid 31 and name HB1 )
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  OR ( resid 31 and name HA )
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  OR ( resid 28 and name HA )
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  OR ( resid 28 and name HA )
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ASSI ( resid 6 and name HA )
     ( resid 6 and name HB2 )
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ASSI ( resid 22 and name HA )
     ( resid 22 and name HB1 )
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  OR ( resid 33 and name HA )
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ASSI ( resid 22 and name HA )
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ASSI ( resid 22 and name HA )
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  OR ( resid 33 and name HA )
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ASSI ( resid 16 and name HA )
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ASSI ( resid 32 and name HA )
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ASSI ( resid 11 and name HA )
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ASSI ( resid 14 and name HA )
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  OR ( resid 14 and name HA )
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ASSI ( resid 24 and name HA )
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ASSI ( resid 5 and name HA )
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ASSI ( resid 11 and name HA )
     ( resid 11 and name HB1 )
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  OR ( resid 11 and name HA )
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ASSI ( resid 13 and name HA )
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  OR ( resid 13 and name HA )
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ASSI ( resid 5 and name HA )
     ( resid 5 and name HB1 )
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ASSI ( resid 10 and name HA1 )
     ( resid 10 and name HA2 )
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ASSI ( resid 5 and name HA )
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ASSI ( resid 34 and name HA )
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ASSI ( resid 26 and name HA )
     ( resid 26 and name HB1 )
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ASSI ( resid 26 and name HA )
     ( resid 26 and name HB2 )
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ASSI ( resid 38 and name HA )
     ( resid 38 and name HB1 )
     6.0 0.1 0.1 peak 47 weight 0.11000E+01 volume 36.24160 ppm1 4.2083583 ppm2 3.2579043
ASSI ( resid 40 and name HA )
     ( resid 40 and name HB2 )
     6.0 0.1 0.1 peak 48 weight 0.11000E+01 volume 96.75010 ppm1 4.1950779 ppm2 3.1658642
  OR ( resid 40 and name HA )
     ( resid 38 and name HB2 )
  OR ( resid 40 and name HA )
     ( resid 40 and name HB1 )
  OR ( resid 38 and name HA )
     ( resid 40 and name HB2 )
  OR ( resid 38 and name HA )
     ( resid 38 and name HB2 )
  OR ( resid 38 and name HA )
     ( resid 40 and name HB1 )
ASSI ( resid 7 and name HD1 )
     ( resid 7 and name HD2 )
     6.0 0.1 0.1 peak 49 weight 0.11000E+01 volume 134.58040 ppm1 4.0799127 ppm2 3.2310362
ASSI ( resid 4 and name HA )
     ( resid 26 and name HB2 )
     6.0 0.1 0.1 peak 50 weight 0.11000E+01 volume 9.80030 ppm1 3.9753642 ppm2 3.2218285
ASSI ( resid 35 and name HD1 )
     ( resid 35 and name HD2 )
     6.0 0.1 0.1 peak 51 weight 0.11000E+01 volume 122.78900 ppm1 3.7834618 ppm2 3.2901967
ASSI ( resid 25 and name HB1 )
     ( resid 25 and name HB2 )
     6.0 0.1 0.1 peak 52 weight 0.11000E+01 volume 165.03470 ppm1 3.3591273 ppm2 3.1641316
ASSI ( resid 11 and name HB1 )
     ( resid 11 and name HB2 )
     6.0 0.1 0.1 peak 53 weight 0.11000E+01 volume 147.43550 ppm1 3.1154642 ppm2 2.8492990
ASSI ( resid 6 and name HB1 )
     ( resid 6 and name HB2 )
     6.0 0.1 0.1 peak 54 weight 0.11000E+01 volume 165.44020 ppm1 3.1279376 ppm2 2.7810884
ASSI ( resid 5 and name HB1 )
     ( resid 5 and name HB2 )
     6.0 0.1 0.1 peak 55 weight 0.11000E+01 volume 154.17059 ppm1 3.1961155 ppm2 2.8438659
ASSI ( resid 12 and name HB1 )
     ( resid 12 and name HB2 )
     6.0 0.1 0.1 peak 56 weight 0.11000E+01 volume 75.72930 ppm1 3.4335561 ppm2 2.7629399
ASSI ( resid 31 and name HB1 )
     ( resid 31 and name HB2 )
     6.0 0.1 0.1 peak 57 weight 0.11000E+01 volume 75.96210 ppm1 2.8037465 ppm2 2.5166636
  OR ( resid 31 and name HB1 )
     ( resid 22 and name HB2 )
ASSI ( resid 22 and name HB1 )
     ( resid 22 and name HB2 )
     6.0 0.1 0.1 peak 58 weight 0.11000E+01 volume 128.09050 ppm1 2.9740753 ppm2 2.5298872
  OR ( resid 22 and name HB1 )
     ( resid 28 and name HB2 )
  OR ( resid 29 and name HE2 )
     ( resid 22 and name HB2 )
  OR ( resid 29 and name HE2 )
     ( resid 28 and name HB2 )
ASSI ( resid 7 and name HD2 )
     ( resid 7 and name HB1 )
     6.0 0.1 0.1 peak 59 weight 0.11000E+01 volume 3.92720 ppm1 3.2392895 ppm2 2.4668069
ASSI ( resid 35 and name HD2 )
     ( resid 35 and name HB1 )
     6.0 0.1 0.1 peak 60 weight 0.11000E+01 volume 3.27760 ppm1 3.2890325 ppm2 2.5021920
ASSI ( resid 16 and name HB1 )
     ( resid 20 and name HG1 )
     6.0 0.1 0.1 peak 61 weight 0.11000E+01 volume 13.84680 ppm1 2.7269368 ppm2 2.3555963
  OR ( resid 16 and name HB1 )
     ( resid 33 and name HB1 )
ASSI ( resid 32 and name HB1 )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 62 weight 0.11000E+01 volume 124.81490 ppm1 2.8203244 ppm2 2.2618196
ASSI ( resid 6 and name HB1 )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 63 weight 0.11000E+01 volume 7.48810 ppm1 3.1420476 ppm2 2.2593334
ASSI ( resid 35 and name HD1 )
     ( resid 35 and name HB1 )
     6.0 0.1 0.1 peak 64 weight 0.11000E+01 volume 6.04570 ppm1 3.7853465 ppm2 2.4971368
ASSI ( resid 17 and name HB2 )
     ( resid 20 and name HG1 )
     6.0 0.1 0.1 peak 65 weight 0.11000E+01 volume 3.37880 ppm1 3.7621331 ppm2 2.3657062
ASSI ( resid 17 and name HB1 )
     ( resid 20 and name HG1 )
     6.0 0.1 0.1 peak 66 weight 0.11000E+01 volume 3.96040 ppm1 4.0495687 ppm2 2.3718278
ASSI ( resid 7 and name HD1 )
     ( resid 7 and name HB1 )
     6.0 0.1 0.1 peak 67 weight 0.11000E+01 volume 7.69050 ppm1 4.0772867 ppm2 2.4608114
ASSI ( resid 35 and name HD1 )
     ( resid 35 and name HG1 )
     6.0 0.1 0.1 peak 68 weight 0.11000E+01 volume 48.22090 ppm1 3.7834778 ppm2 2.1569092
  OR ( resid 35 and name HD1 )
     ( resid 35 and name HG2 )
ASSI ( resid 35 and name HA )
     ( resid 35 and name HB1 )
     6.0 0.1 0.1 peak 69 weight 0.11000E+01 volume 47.97470 ppm1 4.6127329 ppm2 2.5025895
ASSI ( resid 7 and name HA )
     ( resid 7 and name HB1 )
     6.0 0.1 0.1 peak 70 weight 0.11000E+01 volume 54.84960 ppm1 4.5157518 ppm2 2.4616306
ASSI ( resid 30 and name HA )
     ( resid 30 and name HG1 )
     6.0 0.1 0.1 peak 71 weight 0.11000E+01 volume 32.04930 ppm1 4.4907594 ppm2 2.3521676
  OR ( resid 30 and name HA )
     ( resid 30 and name HG2 )
ASSI ( resid 20 and name HA )
     ( resid 20 and name HG1 )
     6.0 0.1 0.1 peak 72 weight 0.11000E+01 volume 21.59440 ppm1 4.5695958 ppm2 2.3664134
  OR ( resid 20 and name HA )
     ( resid 33 and name HB1 )
  OR ( resid 19 and name HB )
     ( resid 20 and name HG1 )
  OR ( resid 19 and name HB )
     ( resid 33 and name HB1 )
ASSI ( resid 35 and name HA )
     ( resid 20 and name HG1 )
     6.0 0.1 0.1 peak 73 weight 0.11000E+01 volume 5.92480 ppm1 4.6124673 ppm2 2.3606608
ASSI ( resid 20 and name HA )
     ( resid 20 and name HG2 )
     6.0 0.1 0.1 peak 74 weight 0.11000E+01 volume 26.13800 ppm1 4.5712957 ppm2 2.2424948
  OR ( resid 19 and name HB )
     ( resid 20 and name HG2 )
ASSI ( resid 35 and name HA )
     ( resid 20 and name HG2 )
     6.0 0.1 0.1 peak 75 weight 0.11000E+01 volume 14.70910 ppm1 4.6131873 ppm2 2.2456849
ASSI ( resid 35 and name HA )
     ( resid 35 and name HG2 )
     6.0 0.1 0.1 peak 76 weight 0.11000E+01 volume 18.28130 ppm1 4.6152449 ppm2 2.1504121
  OR ( resid 35 and name HA )
     ( resid 35 and name HG1 )
ASSI ( resid 35 and name HA )
     ( resid 35 and name HB2 )
     6.0 0.1 0.1 peak 77 weight 0.11000E+01 volume 25.06500 ppm1 4.6119776 ppm2 2.0878501
ASSI ( resid 13 and name HA )
     ( resid 30 and name HE1 )
     6.0 0.1 0.1 peak 78 weight 0.11000E+01 volume 4.68770 ppm1 4.6847916 ppm2 2.0735171
ASSI ( resid 34 and name HA )
     ( resid 35 and name HG2 )
     6.0 0.1 0.1 peak 79 weight 0.11000E+01 volume 7.82180 ppm1 4.6989083 ppm2 2.1558383
  OR ( resid 34 and name HA )
     ( resid 35 and name HG1 )
ASSI ( resid 14 and name HA )
     ( resid 30 and name HE1 )
     6.0 0.1 0.1 peak 80 weight 0.11000E+01 volume 3.98690 ppm1 4.7518640 ppm2 2.0708108
ASSI ( resid 14 and name HA )
     ( resid 30 and name HG1 )
     6.0 0.1 0.1 peak 81 weight 0.11000E+01 volume 17.99190 ppm1 4.7554321 ppm2 2.3608952
  OR ( resid 14 and name HA )
     ( resid 30 and name HG2 )
ASSI ( resid 32 and name HA )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 82 weight 0.11000E+01 volume 11.50920 ppm1 4.8346572 ppm2 2.2634032
ASSI ( resid 33 and name HA )
     ( resid 33 and name HB1 )
     6.0 0.1 0.1 peak 83 weight 0.11000E+01 volume 23.23800 ppm1 4.8829007 ppm2 2.3542781
  OR ( resid 22 and name HA )
     ( resid 33 and name HB1 )
ASSI ( resid 22 and name HA )
     ( resid 22 and name HB2 )
     6.0 0.1 0.1 peak 84 weight 0.11000E+01 volume 24.74900 ppm1 4.8865566 ppm2 2.5281875
ASSI ( resid 28 and name HA )
     ( resid 28 and name HB2 )
     6.0 0.1 0.1 peak 85 weight 0.11000E+01 volume 12.69790 ppm1 5.1213083 ppm2 2.5260184
  OR ( resid 28 and name HA )
     ( resid 31 and name HB2 )
  OR ( resid 31 and name HA )
     ( resid 28 and name HB2 )
  OR ( resid 31 and name HA )
     ( resid 31 and name HB2 )
ASSI ( resid 22 and name HE3 )
     ( resid 22 and name HB2 )
     6.0 0.1 0.1 peak 86 weight 0.11000E+01 volume 27.52420 ppm1 5.6800184 ppm2 2.5303977
ASSI ( resid 14 and name HA )
     ( resid 30 and name HB2 )
     6.0 0.1 0.1 peak 87 weight 0.11000E+01 volume 51.17050 ppm1 4.7537374 ppm2 1.9062020
  OR ( resid 14 and name HA )
     ( resid 30 and name HB1 )
ASSI ( resid 23 and name HA )
     ( resid 1 and name HB1 )
     6.0 0.1 0.1 peak 88 weight 0.11000E+01 volume 11.12670 ppm1 4.8513069 ppm2 1.6845082
ASSI ( resid 6 and name HA )
     ( resid 7 and name HG1 )
     6.0 0.1 0.1 peak 89 weight 0.11000E+01 volume 5.23590 ppm1 5.0424242 ppm2 1.7511947
ASSI ( resid 6 and name HA )
     ( resid 3 and name HB1 )
     6.0 0.1 0.1 peak 90 weight 0.11000E+01 volume 3.45390 ppm1 5.0489907 ppm2 1.6549921
  OR ( resid 6 and name HA )
     ( resid 3 and name HG )
ASSI ( resid 25 and name HA )
     ( resid 3 and name HG )
     6.0 0.1 0.1 peak 91 weight 0.11000E+01 volume 5.97510 ppm1 5.0859561 ppm2 1.6538043
  OR ( resid 25 and name HA )
     ( resid 3 and name HB1 )
ASSI ( resid 30 and name HA )
     ( resid 30 and name HE1 )
     6.0 0.1 0.1 peak 92 weight 0.11000E+01 volume 4.02840 ppm1 4.4908257 ppm2 2.0741439
ASSI ( resid 19 and name HA )
     ( resid 18 and name HB2 )
     6.0 0.1 0.1 peak 93 weight 0.11000E+01 volume 3.59830 ppm1 4.4600801 ppm2 2.0000713
  OR ( resid 19 and name HA )
     ( resid 18 and name HB1 )
ASSI ( resid 20 and name HA )
     ( resid 20 and name HB1 )
     6.0 0.1 0.1 peak 94 weight 0.11000E+01 volume 15.36490 ppm1 4.5701933 ppm2 1.9317478
ASSI ( resid 20 and name HA )
     ( resid 20 and name HB2 )
     6.0 0.1 0.1 peak 95 weight 0.11000E+01 volume 26.45430 ppm1 4.5711055 ppm2 1.8401289
ASSI ( resid 7 and name HA )
     ( resid 7 and name HB2 )
     6.0 0.1 0.1 peak 96 weight 0.11000E+01 volume 35.14620 ppm1 4.5157566 ppm2 1.8678874
ASSI ( resid 30 and name HA )
     ( resid 30 and name HB1 )
     6.0 0.1 0.1 peak 97 weight 0.11000E+01 volume 58.87290 ppm1 4.4916420 ppm2 1.9079919
  OR ( resid 30 and name HA )
     ( resid 30 and name HB2 )
ASSI ( resid 2 and name HA )
     ( resid 2 and name HB )
     6.0 0.1 0.1 peak 98 weight 0.11000E+01 volume 17.77580 ppm1 4.4373488 ppm2 1.8711704
ASSI ( resid 7 and name HA )
     ( resid 7 and name HG1 )
     6.0 0.1 0.1 peak 99 weight 0.11000E+01 volume 10.14660 ppm1 4.5154319 ppm2 1.7503536
ASSI ( resid 18 and name HA )
     ( resid 18 and name HB2 )
     6.0 0.1 0.1 peak 100 weight 0.11000E+01 volume 76.56700 ppm1 4.3913064 ppm2 1.9946903
  OR ( resid 18 and name HA )
     ( resid 18 and name HB1 )
ASSI ( resid 9 and name HA )
     ( resid 9 and name HB )
     6.0 0.1 0.1 peak 101 weight 0.11000E+01 volume 55.53290 ppm1 4.3326750 ppm2 2.0213747
ASSI ( resid 38 and name HA )
     ( resid 35 and name HG2 )
     6.0 0.1 0.1 peak 102 weight 0.11000E+01 volume 2.97290 ppm1 4.2103858 ppm2 2.1616447
  OR ( resid 38 and name HA )
     ( resid 35 and name HG1 )
ASSI ( resid 18 and name HA )
     ( resid 18 and name HD2 )
     6.0 0.1 0.1 peak 103 weight 0.11000E+01 volume 5.81080 ppm1 4.3922896 ppm2 1.7761873
  OR ( resid 18 and name HA )
     ( resid 18 and name HD1 )
ASSI ( resid 8 and name HA )
     ( resid 8 and name HB2 )
     6.0 0.1 0.1 peak 104 weight 0.11000E+01 volume 72.81880 ppm1 4.1339588 ppm2 1.9320108
  OR ( resid 8 and name HA )
     ( resid 8 and name HB1 )
ASSI ( resid 7 and name HD1 )
     ( resid 7 and name HB2 )
     6.0 0.1 0.1 peak 105 weight 0.11000E+01 volume 6.13290 ppm1 4.0798883 ppm2 1.8671308
ASSI ( resid 8 and name HA )
     ( resid 8 and name HD2 )
     6.0 0.1 0.1 peak 106 weight 0.11000E+01 volume 8.88330 ppm1 4.1332808 ppm2 1.7537273
  OR ( resid 8 and name HA )
     ( resid 8 and name HD1 )
ASSI ( resid 7 and name HD1 )
     ( resid 7 and name HG1 )
     6.0 0.1 0.1 peak 107 weight 0.11000E+01 volume 43.25940 ppm1 4.0798078 ppm2 1.7542697
ASSI ( resid 29 and name HA )
     ( resid 29 and name HB2 )
     6.0 0.1 0.1 peak 108 weight 0.11000E+01 volume 47.60390 ppm1 4.0425482 ppm2 1.7763919
  OR ( resid 29 and name HA )
     ( resid 29 and name HB1 )
ASSI ( resid 4 and name HA )
     ( resid 4 and name HB1 )
     6.0 0.1 0.1 peak 109 weight 0.11000E+01 volume 70.81580 ppm1 3.9757667 ppm2 1.8614063
  OR ( resid 4 and name HA )
     ( resid 2 and name HB )
  OR ( resid 1 and name HA )
     ( resid 4 and name HB1 )
  OR ( resid 1 and name HA )
     ( resid 2 and name HB )
ASSI ( resid 1 and name HA )
     ( resid 1 and name HB1 )
     6.0 0.1 0.1 peak 110 weight 0.11000E+01 volume 25.16970 ppm1 3.9773161 ppm2 1.6901470
ASSI ( resid 35 and name HD2 )
     ( resid 35 and name HB2 )
     6.0 0.1 0.1 peak 111 weight 0.11000E+01 volume 16.03190 ppm1 3.2856266 ppm2 2.0848522
ASSI ( resid 35 and name HD2 )
     ( resid 35 and name HG2 )
     6.0 0.1 0.1 peak 112 weight 0.11000E+01 volume 44.74970 ppm1 3.2915394 ppm2 2.1633673
  OR ( resid 35 and name HD2 )
     ( resid 35 and name HG1 )
ASSI ( resid 38 and name HB2 )
     ( resid 35 and name HB2 )
     6.0 0.1 0.1 peak 113 weight 0.11000E+01 volume 3.46770 ppm1 3.1794879 ppm2 2.0897241
ASSI ( resid 38 and name HB2 )
     ( resid 35 and name HG2 )
     6.0 0.1 0.1 peak 114 weight 0.11000E+01 volume 9.17780 ppm1 3.1771777 ppm2 2.1609917
  OR ( resid 38 and name HB2 )
     ( resid 35 and name HG1 )
ASSI ( resid 7 and name HD2 )
     ( resid 7 and name HB2 )
     6.0 0.1 0.1 peak 115 weight 0.11000E+01 volume 10.13300 ppm1 3.2291181 ppm2 1.8664693
ASSI ( resid 7 and name HD2 )
     ( resid 7 and name HG1 )
     6.0 0.1 0.1 peak 116 weight 0.11000E+01 volume 18.43200 ppm1 3.2286174 ppm2 1.7482915
ASSI ( resid 25 and name HB1 )
     ( resid 3 and name HG )
     6.0 0.1 0.1 peak 117 weight 0.11000E+01 volume 8.29950 ppm1 3.3631485 ppm2 1.6556832
  OR ( resid 25 and name HB1 )
     ( resid 3 and name HB1 )
ASSI ( resid 25 and name HB2 )
     ( resid 3 and name HG )
     6.0 0.1 0.1 peak 118 weight 0.11000E+01 volume 11.75770 ppm1 3.1645892 ppm2 1.6529375
  OR ( resid 25 and name HB2 )
     ( resid 3 and name HB1 )
ASSI ( resid 14 and name HB1 )
     ( resid 30 and name HB2 )
     6.0 0.1 0.1 peak 119 weight 0.11000E+01 volume 4.65600 ppm1 2.9743187 ppm2 1.9062741
  OR ( resid 14 and name HB1 )
     ( resid 30 and name HB1 )
  OR ( resid 14 and name HB2 )
     ( resid 30 and name HB2 )
  OR ( resid 14 and name HB2 )
     ( resid 30 and name HB1 )
ASSI ( resid 16 and name HB1 )
     ( resid 20 and name HB1 )
     6.0 0.1 0.1 peak 120 weight 0.11000E+01 volume 25.79690 ppm1 2.7267013 ppm2 1.9246210
ASSI ( resid 16 and name HB1 )
     ( resid 20 and name HB2 )
     6.0 0.1 0.1 peak 121 weight 0.11000E+01 volume 15.21810 ppm1 2.7243907 ppm2 1.8367244
ASSI ( resid 35 and name HB1 )
     ( resid 35 and name HG1 )
     6.0 0.1 0.1 peak 122 weight 0.11000E+01 volume 57.12750 ppm1 2.5018258 ppm2 2.1507537
  OR ( resid 35 and name HB1 )
     ( resid 35 and name HG2 )
ASSI ( resid 35 and name HB1 )
     ( resid 35 and name HB2 )
     6.0 0.1 0.1 peak 123 weight 0.11000E+01 volume 138.54720 ppm1 2.4985750 ppm2 2.0814097
ASSI ( resid 7 and name HB1 )
     ( resid 7 and name HB2 )
     6.0 0.1 0.1 peak 124 weight 0.11000E+01 volume 132.02521 ppm1 2.4639199 ppm2 1.8735459
ASSI ( resid 7 and name HB1 )
     ( resid 7 and name HG1 )
     6.0 0.1 0.1 peak 125 weight 0.11000E+01 volume 13.35870 ppm1 2.4604545 ppm2 1.7512033
ASSI ( resid 30 and name HG2 )
     ( resid 30 and name HB2 )
     6.0 0.1 0.1 peak 126 weight 0.11000E+01 volume 88.21940 ppm1 2.3541789 ppm2 1.9139309
  OR ( resid 30 and name HG2 )
     ( resid 30 and name HB1 )
  OR ( resid 30 and name HG1 )
     ( resid 30 and name HB2 )
  OR ( resid 30 and name HG1 )
     ( resid 30 and name HB1 )
ASSI ( resid 30 and name HG2 )
     ( resid 29 and name HB2 )
     6.0 0.1 0.1 peak 127 weight 0.11000E+01 volume 22.80160 ppm1 2.3569734 ppm2 1.7831739
  OR ( resid 30 and name HG2 )
     ( resid 29 and name HB1 )
  OR ( resid 30 and name HG1 )
     ( resid 29 and name HB2 )
  OR ( resid 30 and name HG1 )
     ( resid 29 and name HB1 )
ASSI ( resid 20 and name HG2 )
     ( resid 20 and name HB2 )
     6.0 0.1 0.1 peak 128 weight 0.11000E+01 volume 18.90310 ppm1 2.2429273 ppm2 1.8370733
ASSI ( resid 18 and name HB1 )
     ( resid 18 and name HG2 )
     6.0 0.1 0.1 peak 129 weight 0.11000E+01 volume 53.09670 ppm1 1.9901364 ppm2 1.6238079
  OR ( resid 18 and name HB1 )
     ( resid 18 and name HG1 )
  OR ( resid 18 and name HB2 )
     ( resid 18 and name HG2 )
  OR ( resid 18 and name HB2 )
     ( resid 18 and name HG1 )
ASSI ( resid 8 and name HB1 )
     ( resid 8 and name HG2 )
     6.0 0.1 0.1 peak 130 weight 0.11000E+01 volume 56.92750 ppm1 1.9214376 ppm2 1.5853739
  OR ( resid 8 and name HB1 )
     ( resid 8 and name HG1 )
  OR ( resid 8 and name HB2 )
     ( resid 8 and name HG2 )
  OR ( resid 8 and name HB2 )
     ( resid 8 and name HG1 )
ASSI ( resid 4 and name HB1 )
     ( resid 4 and name HD1 )
     6.0 0.1 0.1 peak 131 weight 0.11000E+01 volume 25.72910 ppm1 1.8436470 ppm2 1.5471418
  OR ( resid 4 and name HB1 )
     ( resid 4 and name HD2 )
ASSI ( resid 7 and name HB2 )
     ( resid 7 and name HG2 )
     6.0 0.1 0.1 peak 132 weight 0.11000E+01 volume 52.03380 ppm1 1.8682733 ppm2 1.4105842
  OR ( resid 7 and name HB2 )
     ( resid 4 and name HG1 )
  OR ( resid 7 and name HB2 )
     ( resid 4 and name HG2 )
  OR ( resid 4 and name HB1 )
     ( resid 7 and name HG2 )
  OR ( resid 4 and name HB1 )
     ( resid 4 and name HG1 )
  OR ( resid 4 and name HB1 )
     ( resid 4 and name HG2 )
  OR ( resid 2 and name HB )
     ( resid 7 and name HG2 )
  OR ( resid 2 and name HB )
     ( resid 4 and name HG1 )
  OR ( resid 2 and name HB )
     ( resid 4 and name HG2 )
ASSI ( resid 7 and name HG1 )
     ( resid 7 and name HG2 )
     6.0 0.1 0.1 peak 133 weight 0.11000E+01 volume 142.02921 ppm1 1.7583007 ppm2 1.4110793
ASSI ( resid 3 and name HB1 )
     ( resid 3 and name HB2 )
     6.0 0.1 0.1 peak 134 weight 0.11000E+01 volume 207.10150 ppm1 1.6555434 ppm2 1.4471685
  OR ( resid 3 and name HG )
     ( resid 3 and name HB2 )
ASSI ( resid 4 and name HB2 )
     ( resid 4 and name HD2 )
     6.0 0.1 0.1 peak 135 weight 0.11000E+01 volume 61.99880 ppm1 1.7154492 ppm2 1.5657972
  OR ( resid 4 and name HB2 )
     ( resid 4 and name HD1 )
ASSI ( resid 4 and name HD2 )
     ( resid 4 and name HG1 )
     6.0 0.1 0.1 peak 136 weight 0.11000E+01 volume 18.43070 ppm1 1.5675876 ppm2 1.4101964
  OR ( resid 4 and name HD2 )
     ( resid 4 and name HG2 )
  OR ( resid 4 and name HD1 )
     ( resid 4 and name HG1 )
  OR ( resid 4 and name HD1 )
     ( resid 4 and name HG2 )
ASSI ( resid 39 and name HD2 )
     ( resid 39 and name HB2 )
     6.0 0.1 0.1 peak 137 weight 0.11000E+01 volume 82.90190 ppm1 1.4966871 ppm2 1.3497397
  OR ( resid 39 and name HD2 )
     ( resid 39 and name HB1 )
  OR ( resid 39 and name HD1 )
     ( resid 39 and name HB2 )
  OR ( resid 39 and name HD1 )
     ( resid 39 and name HB1 )
ASSI ( resid 21 and name HG11 )
     ( resid 21 and name HG12 )
     6.0 0.1 0.1 peak 138 weight 0.11000E+01 volume 149.89970 ppm1 1.6396645 ppm2 1.2850943
ASSI ( resid 21 and name HB )
     ( resid 21 and name HG12 )
     6.0 0.1 0.1 peak 139 weight 0.11000E+01 volume 71.59170 ppm1 1.7022613 ppm2 1.2890396
  OR ( resid 21 and name HB )
     ( resid 34 and name HB1 )
ASSI ( resid 39 and name HD2 )
     ( resid 39 and name HG2 )
     6.0 0.1 0.1 peak 140 weight 0.11000E+01 volume 62.36330 ppm1 1.5075189 ppm2 1.1524454
  OR ( resid 39 and name HD2 )
     ( resid 39 and name HG1 )
  OR ( resid 39 and name HD1 )
     ( resid 39 and name HG2 )
  OR ( resid 39 and name HD1 )
     ( resid 39 and name HG1 )
ASSI ( resid 21 and name HG11 )
     ( resid 21 and name HD11 )
     6.0 0.1 0.1 peak 141 weight 0.11000E+01 volume 42.56810 ppm1 1.6322770 ppm2 1.1084971
  OR ( resid 21 and name HG11 )
     ( resid 41 and name HG2 )
  OR ( resid 21 and name HG11 )
     ( resid 41 and name HG1 )
  OR ( resid 41 and name HB2 )
     ( resid 21 and name HD11 )
  OR ( resid 41 and name HB2 )
     ( resid 41 and name HG2 )
  OR ( resid 41 and name HB2 )
     ( resid 41 and name HG1 )
  OR ( resid 41 and name HB1 )
     ( resid 21 and name HD11 )
  OR ( resid 41 and name HB1 )
     ( resid 41 and name HG2 )
  OR ( resid 41 and name HB1 )
     ( resid 41 and name HG1 )
ASSI ( resid 21 and name HB )
     ( resid 21 and name HD11 )
     6.0 0.1 0.1 peak 142 weight 0.11000E+01 volume 23.50030 ppm1 1.7055453 ppm2 1.1108375
ASSI ( resid 7 and name HB2 )
     ( resid 34 and name HB1 )
     6.0 0.1 0.1 peak 143 weight 0.11000E+01 volume 9.08110 ppm1 1.8644660 ppm2 1.3056706
ASSI ( resid 18 and name HB2 )
     ( resid 19 and name HG21 )
     6.0 0.1 0.1 peak 144 weight 0.11000E+01 volume 10.19430 ppm1 1.9984655 ppm2 1.2142106
  OR ( resid 18 and name HB1 )
     ( resid 19 and name HG21 )
ASSI ( resid 9 and name HB )
     ( resid 9 and name HG12 )
     6.0 0.1 0.1 peak 145 weight 0.11000E+01 volume 47.78200 ppm1 2.0192585 ppm2 1.3234875
  OR ( resid 9 and name HB )
     ( resid 9 and name HG11 )
ASSI ( resid 35 and name HG2 )
     ( resid 9 and name HG12 )
     6.0 0.1 0.1 peak 146 weight 0.11000E+01 volume 17.67620 ppm1 2.1544132 ppm2 1.3163608
  OR ( resid 35 and name HG2 )
     ( resid 9 and name HG11 )
ASSI ( resid 32 and name HB2 )
     ( resid 23 and name HB1 )
     6.0 0.1 0.1 peak 147 weight 0.11000E+01 volume 30.53010 ppm1 2.2604086 ppm2 1.3944299
ASSI ( resid 33 and name HB1 )
     ( resid 33 and name HB2 )
     6.0 0.1 0.1 peak 148 weight 0.11000E+01 volume 111.86240 ppm1 2.3582418 ppm2 1.4529569
ASSI ( resid 7 and name HB1 )
     ( resid 7 and name HG2 )
     6.0 0.1 0.1 peak 149 weight 0.11000E+01 volume 9.81250 ppm1 2.4570787 ppm2 1.4136797
ASSI ( resid 32 and name HB1 )
     ( resid 23 and name HB1 )
     6.0 0.1 0.1 peak 150 weight 0.11000E+01 volume 11.92960 ppm1 2.8195457 ppm2 1.3969675
ASSI ( resid 4 and name HE2 )
     ( resid 4 and name HG2 )
     6.0 0.1 0.1 peak 151 weight 0.11000E+01 volume 6.09510 ppm1 3.0064383 ppm2 1.4077632
  OR ( resid 4 and name HE2 )
     ( resid 4 and name HG1 )
  OR ( resid 4 and name HE1 )
     ( resid 4 and name HG2 )
  OR ( resid 4 and name HE1 )
     ( resid 4 and name HG1 )
ASSI ( resid 14 and name HB2 )
     ( resid 15 and name HG21 )
     6.0 0.1 0.1 peak 152 weight 0.11000E+01 volume 10.96120 ppm1 2.9733100 ppm2 1.2296519
  OR ( resid 14 and name HB1 )
     ( resid 15 and name HG21 )
ASSI ( resid 39 and name HE2 )
     ( resid 39 and name HG2 )
     6.0 0.1 0.1 peak 153 weight 0.11000E+01 volume 10.91930 ppm1 2.8792171 ppm2 1.1580241
  OR ( resid 39 and name HE2 )
     ( resid 39 and name HG1 )
  OR ( resid 39 and name HE1 )
     ( resid 39 and name HG2 )
  OR ( resid 39 and name HE1 )
     ( resid 39 and name HG1 )
ASSI ( resid 25 and name HB2 )
     ( resid 3 and name HB2 )
     6.0 0.1 0.1 peak 154 weight 0.11000E+01 volume 25.31310 ppm1 3.1615515 ppm2 1.4361943
ASSI ( resid 7 and name HD2 )
     ( resid 7 and name HG2 )
     6.0 0.1 0.1 peak 155 weight 0.11000E+01 volume 35.91360 ppm1 3.2294478 ppm2 1.4095131
  OR ( resid 7 and name HD2 )
     ( resid 23 and name HB1 )
  OR ( resid 7 and name HD2 )
     ( resid 4 and name HG1 )
  OR ( resid 26 and name HB2 )
     ( resid 7 and name HG2 )
  OR ( resid 26 and name HB2 )
     ( resid 23 and name HB1 )
  OR ( resid 26 and name HB2 )
     ( resid 4 and name HG1 )
ASSI ( resid 25 and name HB1 )
     ( resid 3 and name HB2 )
     6.0 0.1 0.1 peak 156 weight 0.11000E+01 volume 18.28550 ppm1 3.3575623 ppm2 1.4455390
ASSI ( resid 35 and name HD2 )
     ( resid 34 and name HB1 )
     6.0 0.1 0.1 peak 157 weight 0.11000E+01 volume 23.49680 ppm1 3.2863607 ppm2 1.2997317
ASSI ( resid 38 and name HB2 )
     ( resid 34 and name HB1 )
     6.0 0.1 0.1 peak 158 weight 0.11000E+01 volume 6.46030 ppm1 3.1780262 ppm2 1.2832532
ASSI ( resid 38 and name HB1 )
     ( resid 34 and name HG )
     6.0 0.1 0.1 peak 159 weight 0.11000E+01 volume 6.52520 ppm1 3.2517056 ppm2 1.2189618
  OR ( resid 10 and name HA2 )
     ( resid 34 and name HG )
ASSI ( resid 40 and name HB1 )
     ( resid 41 and name HG1 )
     6.0 0.1 0.1 peak 160 weight 0.11000E+01 volume 9.89670 ppm1 3.1743095 ppm2 1.1120604
  OR ( resid 40 and name HB1 )
     ( resid 41 and name HG2 )
  OR ( resid 40 and name HB1 )
     ( resid 21 and name HD11 )
  OR ( resid 38 and name HB2 )
     ( resid 41 and name HG1 )
  OR ( resid 38 and name HB2 )
     ( resid 41 and name HG2 )
  OR ( resid 38 and name HB2 )
     ( resid 21 and name HD11 )
  OR ( resid 40 and name HB2 )
     ( resid 41 and name HG1 )
  OR ( resid 40 and name HB2 )
     ( resid 41 and name HG2 )
  OR ( resid 40 and name HB2 )
     ( resid 21 and name HD11 )
ASSI ( resid 38 and name HB1 )
     ( resid 21 and name HD11 )
     6.0 0.1 0.1 peak 161 weight 0.11000E+01 volume 16.80250 ppm1 3.2563264 ppm2 1.1108727
ASSI ( resid 37 and name HB2 )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 162 weight 0.11000E+01 volume 3.13740 ppm1 3.8349872 ppm2 1.5218489
ASSI ( resid 35 and name HD1 )
     ( resid 34 and name HB1 )
     6.0 0.1 0.1 peak 163 weight 0.11000E+01 volume 10.53500 ppm1 3.7841065 ppm2 1.2926507
ASSI ( resid 35 and name HD1 )
     ( resid 34 and name HG )
     6.0 0.1 0.1 peak 164 weight 0.11000E+01 volume 3.92930 ppm1 3.7726083 ppm2 1.2225251
  OR ( resid 35 and name HD1 )
     ( resid 19 and name HG21 )
  OR ( resid 17 and name HB2 )
     ( resid 34 and name HG )
  OR ( resid 17 and name HB2 )
     ( resid 19 and name HG21 )
ASSI ( resid 29 and name HA )
     ( resid 29 and name HD1 )
     6.0 0.1 0.1 peak 165 weight 0.11000E+01 volume 4.05380 ppm1 4.0439873 ppm2 1.6678460
  OR ( resid 29 and name HA )
     ( resid 29 and name HD2 )
ASSI ( resid 4 and name HA )
     ( resid 4 and name HD1 )
     6.0 0.1 0.1 peak 166 weight 0.11000E+01 volume 53.91050 ppm1 3.9767632 ppm2 1.5659486
  OR ( resid 4 and name HA )
     ( resid 4 and name HD2 )
ASSI ( resid 29 and name HA )
     ( resid 29 and name HG1 )
     6.0 0.1 0.1 peak 167 weight 0.11000E+01 volume 58.99870 ppm1 4.0446267 ppm2 1.5089794
  OR ( resid 29 and name HA )
     ( resid 39 and name HD1 )
  OR ( resid 29 and name HA )
     ( resid 39 and name HD2 )
  OR ( resid 39 and name HA )
     ( resid 29 and name HG1 )
  OR ( resid 39 and name HA )
     ( resid 39 and name HD1 )
  OR ( resid 39 and name HA )
     ( resid 39 and name HD2 )
ASSI ( resid 1 and name HA )
     ( resid 1 and name HG )
     6.0 0.1 0.1 peak 168 weight 0.11000E+01 volume 24.80920 ppm1 3.9763188 ppm2 1.4177051
  OR ( resid 1 and name HA )
     ( resid 4 and name HG1 )
  OR ( resid 1 and name HA )
     ( resid 4 and name HG2 )
  OR ( resid 4 and name HA )
     ( resid 1 and name HG )
  OR ( resid 4 and name HA )
     ( resid 4 and name HG1 )
  OR ( resid 4 and name HA )
     ( resid 4 and name HG2 )
ASSI ( resid 39 and name HA )
     ( resid 39 and name HB2 )
     6.0 0.1 0.1 peak 169 weight 0.11000E+01 volume 34.24040 ppm1 4.0463829 ppm2 1.3721870
  OR ( resid 39 and name HA )
     ( resid 39 and name HB1 )
ASSI ( resid 7 and name HD1 )
     ( resid 7 and name HG2 )
     6.0 0.1 0.1 peak 170 weight 0.11000E+01 volume 39.02750 ppm1 4.0766225 ppm2 1.4105403
ASSI ( resid 8 and name HA )
     ( resid 8 and name HG1 )
     6.0 0.1 0.1 peak 171 weight 0.11000E+01 volume 21.16840 ppm1 4.1326756 ppm2 1.5916715
  OR ( resid 8 and name HA )
     ( resid 8 and name HG2 )
ASSI ( resid 36 and name HA )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 172 weight 0.11000E+01 volume 100.94100 ppm1 4.1636128 ppm2 1.5194733
ASSI ( resid 36 and name HA )
     ( resid 21 and name HG11 )
     6.0 0.1 0.1 peak 173 weight 0.11000E+01 volume 25.01220 ppm1 4.1657567 ppm2 1.6397973
ASSI ( resid 37 and name HA )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 174 weight 0.11000E+01 volume 6.47500 ppm1 4.2708120 ppm2 1.5216647
ASSI ( resid 21 and name HA )
     ( resid 21 and name HG11 )
     6.0 0.1 0.1 peak 175 weight 0.11000E+01 volume 17.78970 ppm1 4.2594919 ppm2 1.6370647
ASSI ( resid 21 and name HA )
     ( resid 21 and name HB )
     6.0 0.1 0.1 peak 176 weight 0.11000E+01 volume 25.28890 ppm1 4.2583370 ppm2 1.7118956
ASSI ( resid 15 and name HB )
     ( resid 15 and name HG21 )
     6.0 0.1 0.1 peak 177 weight 0.11000E+01 volume 70.67570 ppm1 4.0273032 ppm2 1.2308397
ASSI ( resid 39 and name HA )
     ( resid 39 and name HG1 )
     6.0 0.1 0.1 peak 178 weight 0.11000E+01 volume 19.73340 ppm1 4.0441699 ppm2 1.1561123
  OR ( resid 39 and name HA )
     ( resid 39 and name HG2 )
ASSI ( resid 41 and name HA )
     ( resid 41 and name HG2 )
     6.0 0.1 0.1 peak 179 weight 0.11000E+01 volume 5.95580 ppm1 4.0103512 ppm2 1.1157126
  OR ( resid 41 and name HA )
     ( resid 41 and name HG1 )
ASSI ( resid 15 and name HA )
     ( resid 15 and name HG21 )
     6.0 0.1 0.1 peak 180 weight 0.11000E+01 volume 35.06910 ppm1 4.1079607 ppm2 1.2290076
ASSI ( resid 36 and name HA )
     ( resid 21 and name HG12 )
     6.0 0.1 0.1 peak 181 weight 0.11000E+01 volume 18.09580 ppm1 4.1673703 ppm2 1.2848278
ASSI ( resid 24 and name HB )
     ( resid 24 and name HG21 )
     6.0 0.1 0.1 peak 182 weight 0.11000E+01 volume 71.38770 ppm1 4.2097359 ppm2 1.2514628
ASSI ( resid 21 and name HA )
     ( resid 21 and name HG12 )
     6.0 0.1 0.1 peak 183 weight 0.11000E+01 volume 31.22510 ppm1 4.2594919 ppm2 1.2819148
ASSI ( resid 9 and name HA )
     ( resid 9 and name HG11 )
     6.0 0.1 0.1 peak 184 weight 0.11000E+01 volume 28.06840 ppm1 4.3327131 ppm2 1.3317482
  OR ( resid 9 and name HA )
     ( resid 9 and name HG12 )
ASSI ( resid 9 and name HA )
     ( resid 8 and name HG2 )
     6.0 0.1 0.1 peak 185 weight 0.11000E+01 volume 2.80940 ppm1 4.3328562 ppm2 1.5816727
  OR ( resid 9 and name HA )
     ( resid 8 and name HG1 )
ASSI ( resid 18 and name HA )
     ( resid 18 and name HG1 )
     6.0 0.1 0.1 peak 186 weight 0.11000E+01 volume 19.58500 ppm1 4.3940496 ppm2 1.6311258
  OR ( resid 18 and name HA )
     ( resid 18 and name HG2 )
ASSI ( resid 19 and name HA )
     ( resid 18 and name HG2 )
     6.0 0.1 0.1 peak 187 weight 0.11000E+01 volume 1.91960 ppm1 4.4605269 ppm2 1.6334692
  OR ( resid 19 and name HA )
     ( resid 18 and name HG1 )
  OR ( resid 19 and name HA )
     ( resid 21 and name HG11 )
ASSI ( resid 2 and name HA )
     ( resid 3 and name HG )
     6.0 0.1 0.1 peak 188 weight 0.11000E+01 volume 3.07370 ppm1 4.4356356 ppm2 1.6631962
ASSI ( resid 19 and name HA )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 189 weight 0.11000E+01 volume 4.86350 ppm1 4.4605269 ppm2 1.5233427
ASSI ( resid 2 and name HA )
     ( resid 1 and name HG )
     6.0 0.1 0.1 peak 190 weight 0.11000E+01 volume 2.93920 ppm1 4.4344807 ppm2 1.4244499
ASSI ( resid 7 and name HA )
     ( resid 7 and name HG2 )
     6.0 0.1 0.1 peak 191 weight 0.11000E+01 volume 4.71070 ppm1 4.5136042 ppm2 1.4098476
ASSI ( resid 19 and name HA )
     ( resid 19 and name HG21 )
     6.0 0.1 0.1 peak 192 weight 0.11000E+01 volume 57.69030 ppm1 4.4609175 ppm2 1.2212504
ASSI ( resid 18 and name HA )
     ( resid 19 and name HG21 )
     6.0 0.1 0.1 peak 193 weight 0.11000E+01 volume 1.71290 ppm1 4.3926735 ppm2 1.2231741
ASSI ( resid 3 and name HA )
     ( resid 3 and name HB1 )
     6.0 0.1 0.1 peak 194 weight 0.11000E+01 volume 39.94490 ppm1 4.5832906 ppm2 1.6532129
  OR ( resid 3 and name HA )
     ( resid 3 and name HG )
ASSI ( resid 17 and name HA )
     ( resid 18 and name HG2 )
     6.0 0.1 0.1 peak 195 weight 0.11000E+01 volume 23.52800 ppm1 4.6261759 ppm2 1.6398913
  OR ( resid 17 and name HA )
     ( resid 18 and name HG1 )
ASSI ( resid 13 and name HA )
     ( resid 29 and name HD2 )
     6.0 0.1 0.1 peak 196 weight 0.11000E+01 volume 6.07250 ppm1 4.6868634 ppm2 1.6833972
ASSI ( resid 19 and name HB )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 197 weight 0.11000E+01 volume 24.23690 ppm1 4.5679951 ppm2 1.5218303
  OR ( resid 20 and name HA )
     ( resid 36 and name HB1 )
ASSI ( resid 35 and name HA )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 198 weight 0.11000E+01 volume 5.58850 ppm1 4.6083140 ppm2 1.5218489
ASSI ( resid 3 and name HA )
     ( resid 3 and name HB2 )
     6.0 0.1 0.1 peak 199 weight 0.11000E+01 volume 16.78420 ppm1 4.5898314 ppm2 1.4398912
ASSI ( resid 24 and name HA )
     ( resid 23 and name HB1 )
     6.0 0.1 0.1 peak 200 weight 0.11000E+01 volume 6.28240 ppm1 4.6732039 ppm2 1.3954612
ASSI ( resid 19 and name HB )
     ( resid 19 and name HG21 )
     6.0 0.1 0.1 peak 201 weight 0.11000E+01 volume 94.43740 ppm1 4.5701933 ppm2 1.2177740
  OR ( resid 20 and name HA )
     ( resid 19 and name HG21 )
ASSI ( resid 10 and name HA1 )
     ( resid 34 and name HG )
     6.0 0.1 0.1 peak 202 weight 0.11000E+01 volume 7.79100 ppm1 4.6402125 ppm2 1.2250242
ASSI ( resid 34 and name HA )
     ( resid 34 and name HG )
     6.0 0.1 0.1 peak 203 weight 0.11000E+01 volume 40.33900 ppm1 4.7007275 ppm2 1.2130228
ASSI ( resid 34 and name HA )
     ( resid 34 and name HB1 )
     6.0 0.1 0.1 peak 204 weight 0.11000E+01 volume 15.93990 ppm1 4.7041931 ppm2 1.2961683
ASSI ( resid 24 and name HA )
     ( resid 24 and name HG21 )
     6.0 0.1 0.1 peak 205 weight 0.11000E+01 volume 58.89080 ppm1 4.6765962 ppm2 1.2509447
ASSI ( resid 33 and name HA )
     ( resid 33 and name HB2 )
     6.0 0.1 0.1 peak 206 weight 0.11000E+01 volume 8.33340 ppm1 4.8907328 ppm2 1.4577081
  OR ( resid 22 and name HA )
     ( resid 33 and name HB2 )
ASSI ( resid 22 and name HA )
     ( resid 23 and name HB1 )
     6.0 0.1 0.1 peak 207 weight 0.11000E+01 volume 20.85750 ppm1 4.8895774 ppm2 1.3947551
  OR ( resid 33 and name HA )
     ( resid 23 and name HB1 )
ASSI ( resid 23 and name HA )
     ( resid 23 and name HB1 )
     6.0 0.1 0.1 peak 208 weight 0.11000E+01 volume 83.81350 ppm1 4.8418546 ppm2 1.3916564
  OR ( resid 32 and name HA )
     ( resid 23 and name HB1 )
ASSI ( resid 23 and name HA )
     ( resid 24 and name HG21 )
     6.0 0.1 0.1 peak 209 weight 0.11000E+01 volume 7.05350 ppm1 4.8467913 ppm2 1.2478540
ASSI ( resid 6 and name HA )
     ( resid 7 and name HG2 )
     6.0 0.1 0.1 peak 210 weight 0.11000E+01 volume 10.24430 ppm1 5.0452213 ppm2 1.4234158
ASSI ( resid 25 and name HA )
     ( resid 3 and name HB2 )
     6.0 0.1 0.1 peak 211 weight 0.11000E+01 volume 14.86620 ppm1 5.0858235 ppm2 1.4492757
ASSI ( resid 31 and name HA )
     ( resid 24 and name HG21 )
     6.0 0.1 0.1 peak 212 weight 0.11000E+01 volume 8.83410 ppm1 5.1117759 ppm2 1.2506046
ASSI ( resid 22 and name HE3 )
     ( resid 15 and name HG21 )
     6.0 0.1 0.1 peak 213 weight 0.11000E+01 volume 1.58830 ppm1 5.6807895 ppm2 1.2355909
ASSI ( resid 22 and name HA )
     ( resid 21 and name HG21 )
     6.0 0.1 0.1 peak 214 weight 0.11000E+01 volume 7.54840 ppm1 4.8843217 ppm2 0.9610416
ASSI ( resid 25 and name HA )
     ( resid 2 and name HG12 )
     6.0 0.1 0.1 peak 215 weight 0.11000E+01 volume 2.22930 ppm1 5.0795832 ppm2 0.8553868
  OR ( resid 25 and name HA )
     ( resid 2 and name HG13 )
  OR ( resid 25 and name HA )
     ( resid 2 and name HG11 )
ASSI ( resid 25 and name HA )
     ( resid 3 and name HD21 )
     6.0 0.1 0.1 peak 216 weight 0.11000E+01 volume 20.31370 ppm1 5.0840998 ppm2 0.6982653
  OR ( resid 25 and name HA )
     ( resid 3 and name HD22 )
  OR ( resid 25 and name HA )
     ( resid 3 and name HD23 )
ASSI ( resid 6 and name HA )
     ( resid 3 and name HD21 )
     6.0 0.1 0.1 peak 217 weight 0.11000E+01 volume 18.10620 ppm1 5.0437727 ppm2 0.6819691
  OR ( resid 6 and name HA )
     ( resid 3 and name HD22 )
  OR ( resid 6 and name HA )
     ( resid 3 and name HD23 )
ASSI ( resid 34 and name HA )
     ( resid 34 and name HB2 )
     6.0 0.1 0.1 peak 218 weight 0.11000E+01 volume 28.83110 ppm1 4.6998734 ppm2 1.0001429
ASSI ( resid 34 and name HA )
     ( resid 9 and name HG21 )
     6.0 0.1 0.1 peak 219 weight 0.11000E+01 volume 3.60080 ppm1 4.6941147 ppm2 0.8671223
ASSI ( resid 3 and name HA )
     ( resid 3 and name HD13 )
     6.0 0.1 0.1 peak 220 weight 0.11000E+01 volume 60.79960 ppm1 4.5915637 ppm2 0.9319286
  OR ( resid 3 and name HA )
     ( resid 3 and name HD11 )
  OR ( resid 3 and name HA )
     ( resid 3 and name HD12 )
ASSI ( resid 3 and name HA )
     ( resid 3 and name HD21 )
     6.0 0.1 0.1 peak 221 weight 0.11000E+01 volume 8.88660 ppm1 4.5915637 ppm2 0.6869769
  OR ( resid 3 and name HA )
     ( resid 3 and name HD22 )
  OR ( resid 3 and name HA )
     ( resid 3 and name HD23 )
ASSI ( resid 26 and name HA )
     ( resid 2 and name HG21 )
     6.0 0.1 0.1 peak 222 weight 0.11000E+01 volume 3.01560 ppm1 4.4945097 ppm2 0.7021616
  OR ( resid 26 and name HA )
     ( resid 2 and name HG22 )
  OR ( resid 26 and name HA )
     ( resid 2 and name HG23 )
ASSI ( resid 2 and name HA )
     ( resid 2 and name HG23 )
     6.0 0.1 0.1 peak 223 weight 0.11000E+01 volume 36.80520 ppm1 4.4367514 ppm2 0.7009738
  OR ( resid 2 and name HA )
     ( resid 2 and name HG21 )
  OR ( resid 2 and name HA )
     ( resid 2 and name HG22 )
ASSI ( resid 2 and name HA )
     ( resid 2 and name HG12 )
     6.0 0.1 0.1 peak 224 weight 0.11000E+01 volume 41.90430 ppm1 4.4367514 ppm2 0.8589502
  OR ( resid 2 and name HA )
     ( resid 2 and name HG13 )
  OR ( resid 2 and name HA )
     ( resid 2 and name HG11 )
ASSI ( resid 9 and name HA )
     ( resid 9 and name HD11 )
     6.0 0.1 0.1 peak 225 weight 0.11000E+01 volume 13.28180 ppm1 4.3325157 ppm2 0.9748550
ASSI ( resid 9 and name HA )
     ( resid 9 and name HG21 )
     6.0 0.1 0.1 peak 226 weight 0.11000E+01 volume 38.16190 ppm1 4.3324213 ppm2 0.8675939
ASSI ( resid 21 and name HA )
     ( resid 21 and name HD11 )
     6.0 0.1 0.1 peak 227 weight 0.11000E+01 volume 15.39630 ppm1 4.2588949 ppm2 1.1143255
ASSI ( resid 21 and name HA )
     ( resid 21 and name HG21 )
     6.0 0.1 0.1 peak 228 weight 0.11000E+01 volume 37.26980 ppm1 4.2676921 ppm2 0.9570518
ASSI ( resid 36 and name HA )
     ( resid 21 and name HD11 )
     6.0 0.1 0.1 peak 229 weight 0.11000E+01 volume 22.16830 ppm1 4.1653547 ppm2 1.1112458
ASSI ( resid 38 and name HA )
     ( resid 9 and name HD11 )
     6.0 0.1 0.1 peak 230 weight 0.11000E+01 volume 3.30670 ppm1 4.2156720 ppm2 0.9774457
ASSI ( resid 36 and name HA )
     ( resid 21 and name HG21 )
     6.0 0.1 0.1 peak 231 weight 0.11000E+01 volume 4.10770 ppm1 4.1661067 ppm2 0.9600715
ASSI ( resid 24 and name HB )
     ( resid 2 and name HG11 )
     6.0 0.1 0.1 peak 232 weight 0.11000E+01 volume 14.92230 ppm1 4.2092004 ppm2 0.8598131
  OR ( resid 24 and name HB )
     ( resid 2 and name HG12 )
  OR ( resid 24 and name HB )
     ( resid 2 and name HG13 )
  OR ( resid 24 and name HB )
     ( resid 9 and name HG21 )
  OR ( resid 38 and name HA )
     ( resid 2 and name HG11 )
  OR ( resid 38 and name HA )
     ( resid 2 and name HG12 )
  OR ( resid 38 and name HA )
     ( resid 2 and name HG13 )
  OR ( resid 38 and name HA )
     ( resid 9 and name HG21 )
ASSI ( resid 24 and name HB )
     ( resid 2 and name HG21 )
     6.0 0.1 0.1 peak 233 weight 0.11000E+01 volume 6.21810 ppm1 4.2068305 ppm2 0.6994441
  OR ( resid 24 and name HB )
     ( resid 2 and name HG22 )
  OR ( resid 24 and name HB )
     ( resid 2 and name HG23 )
ASSI ( resid 7 and name HD1 )
     ( resid 3 and name HD11 )
     6.0 0.1 0.1 peak 234 weight 0.11000E+01 volume 4.09670 ppm1 4.0815959 ppm2 0.9302177
  OR ( resid 7 and name HD1 )
     ( resid 3 and name HD13 )
  OR ( resid 7 and name HD1 )
     ( resid 3 and name HD12 )
ASSI ( resid 7 and name HD1 )
     ( resid 3 and name HD21 )
     6.0 0.1 0.1 peak 235 weight 0.11000E+01 volume 26.00350 ppm1 4.0796728 ppm2 0.6822605
  OR ( resid 7 and name HD1 )
     ( resid 3 and name HD22 )
  OR ( resid 7 and name HD1 )
     ( resid 3 and name HD23 )
ASSI ( resid 1 and name HA )
     ( resid 2 and name HG21 )
     6.0 0.1 0.1 peak 236 weight 0.11000E+01 volume 1.84080 ppm1 3.9765732 ppm2 0.7013838
  OR ( resid 1 and name HA )
     ( resid 2 and name HG22 )
  OR ( resid 1 and name HA )
     ( resid 2 and name HG23 )
ASSI ( resid 1 and name HA )
     ( resid 1 and name HD13 )
     6.0 0.1 0.1 peak 237 weight 0.11000E+01 volume 37.68300 ppm1 3.9779539 ppm2 0.8613667
  OR ( resid 1 and name HA )
     ( resid 1 and name HD12 )
  OR ( resid 1 and name HA )
     ( resid 1 and name HD11 )
  OR ( resid 1 and name HA )
     ( resid 2 and name HG12 )
  OR ( resid 1 and name HA )
     ( resid 2 and name HG11 )
  OR ( resid 4 and name HA )
     ( resid 1 and name HD13 )
  OR ( resid 4 and name HA )
     ( resid 1 and name HD12 )
  OR ( resid 4 and name HA )
     ( resid 1 and name HD11 )
  OR ( resid 4 and name HA )
     ( resid 2 and name HG12 )
  OR ( resid 4 and name HA )
     ( resid 2 and name HG11 )
ASSI ( resid 35 and name HD1 )
     ( resid 34 and name HB2 )
     6.0 0.1 0.1 peak 238 weight 0.11000E+01 volume 16.32840 ppm1 3.7818782 ppm2 0.9920011
ASSI ( resid 35 and name HD1 )
     ( resid 9 and name HG21 )
     6.0 0.1 0.1 peak 239 weight 0.11000E+01 volume 8.15680 ppm1 3.7858729 ppm2 0.8684525
ASSI ( resid 35 and name HD2 )
     ( resid 34 and name HB2 )
     6.0 0.1 0.1 peak 240 weight 0.11000E+01 volume 45.29650 ppm1 3.2880738 ppm2 0.9967341
ASSI ( resid 10 and name HA2 )
     ( resid 9 and name HD11 )
     6.0 0.1 0.1 peak 241 weight 0.11000E+01 volume 13.17470 ppm1 3.2467933 ppm2 0.9876648
  OR ( resid 10 and name HA2 )
     ( resid 34 and name HB2 )
  OR ( resid 38 and name HB1 )
     ( resid 9 and name HD11 )
  OR ( resid 38 and name HB1 )
     ( resid 34 and name HB2 )
ASSI ( resid 38 and name HB2 )
     ( resid 34 and name HB2 )
     6.0 0.1 0.1 peak 242 weight 0.11000E+01 volume 20.61780 ppm1 3.1786432 ppm2 0.9880466
  OR ( resid 38 and name HB2 )
     ( resid 9 and name HD11 )
  OR ( resid 40 and name HB2 )
     ( resid 34 and name HB2 )
  OR ( resid 40 and name HB2 )
     ( resid 9 and name HD11 )
ASSI ( resid 40 and name HB2 )
     ( resid 1 and name HD12 )
     6.0 0.1 0.1 peak 243 weight 0.11000E+01 volume 8.49640 ppm1 3.1725569 ppm2 0.8589502
  OR ( resid 40 and name HB2 )
     ( resid 1 and name HD13 )
  OR ( resid 40 and name HB2 )
     ( resid 1 and name HD11 )
  OR ( resid 40 and name HB2 )
     ( resid 9 and name HG21 )
  OR ( resid 40 and name HB1 )
     ( resid 1 and name HD12 )
  OR ( resid 40 and name HB1 )
     ( resid 1 and name HD13 )
  OR ( resid 40 and name HB1 )
     ( resid 1 and name HD11 )
  OR ( resid 40 and name HB1 )
     ( resid 9 and name HG21 )
  OR ( resid 38 and name HB2 )
     ( resid 1 and name HD12 )
  OR ( resid 38 and name HB2 )
     ( resid 1 and name HD13 )
  OR ( resid 38 and name HB2 )
     ( resid 1 and name HD11 )
  OR ( resid 38 and name HB2 )
     ( resid 9 and name HG21 )
ASSI ( resid 35 and name HD2 )
     ( resid 9 and name HG21 )
     6.0 0.1 0.1 peak 244 weight 0.11000E+01 volume 11.95670 ppm1 3.2900534 ppm2 0.8663644
ASSI ( resid 10 and name HA2 )
     ( resid 9 and name HG21 )
     6.0 0.1 0.1 peak 245 weight 0.11000E+01 volume 4.31670 ppm1 3.2384017 ppm2 0.8684525
ASSI ( resid 25 and name HB2 )
     ( resid 3 and name HD21 )
     6.0 0.1 0.1 peak 246 weight 0.11000E+01 volume 10.23900 ppm1 3.1604769 ppm2 0.6815261
  OR ( resid 25 and name HB2 )
     ( resid 3 and name HD22 )
  OR ( resid 25 and name HB2 )
     ( resid 3 and name HD23 )
ASSI ( resid 7 and name HD2 )
     ( resid 3 and name HD21 )
     6.0 0.1 0.1 peak 247 weight 0.11000E+01 volume 14.41190 ppm1 3.2291043 ppm2 0.6817744
  OR ( resid 7 and name HD2 )
     ( resid 3 and name HD22 )
  OR ( resid 7 and name HD2 )
     ( resid 3 and name HD23 )
ASSI ( resid 25 and name HB1 )
     ( resid 3 and name HD21 )
     6.0 0.1 0.1 peak 248 weight 0.11000E+01 volume 6.84590 ppm1 3.3608494 ppm2 0.6843447
  OR ( resid 25 and name HB1 )
     ( resid 3 and name HD23 )
  OR ( resid 25 and name HB1 )
     ( resid 3 and name HD22 )
ASSI ( resid 7 and name HB1 )
     ( resid 9 and name HG21 )
     6.0 0.1 0.1 peak 249 weight 0.11000E+01 volume 3.29300 ppm1 2.4645584 ppm2 0.8694081
ASSI ( resid 32 and name HB2 )
     ( resid 3 and name HD21 )
     6.0 0.1 0.1 peak 250 weight 0.11000E+01 volume 5.76490 ppm1 2.2623627 ppm2 0.6819691
  OR ( resid 32 and name HB2 )
     ( resid 3 and name HD23 )
  OR ( resid 32 and name HB2 )
     ( resid 3 and name HD22 )
ASSI ( resid 35 and name HG1 )
     ( resid 9 and name HG21 )
     6.0 0.1 0.1 peak 251 weight 0.11000E+01 volume 9.34290 ppm1 2.1572423 ppm2 0.8696404
  OR ( resid 35 and name HG2 )
     ( resid 9 and name HG21 )
ASSI ( resid 35 and name HG2 )
     ( resid 9 and name HD11 )
     6.0 0.1 0.1 peak 252 weight 0.11000E+01 volume 23.12460 ppm1 2.1549320 ppm2 0.9741660
  OR ( resid 35 and name HG1 )
     ( resid 9 and name HD11 )
ASSI ( resid 9 and name HB )
     ( resid 9 and name HD11 )
     6.0 0.1 0.1 peak 253 weight 0.11000E+01 volume 26.13560 ppm1 2.0211995 ppm2 0.9740643
ASSI ( resid 9 and name HB )
     ( resid 9 and name HG21 )
     6.0 0.1 0.1 peak 254 weight 0.11000E+01 volume 70.99920 ppm1 2.0179183 ppm2 0.8684348
ASSI ( resid 2 and name HB )
     ( resid 2 and name HG12 )
     6.0 0.1 0.1 peak 255 weight 0.11000E+01 volume 92.31620 ppm1 1.8643990 ppm2 0.8618223
  OR ( resid 2 and name HB )
     ( resid 2 and name HG13 )
  OR ( resid 2 and name HB )
     ( resid 2 and name HG11 )
  OR ( resid 2 and name HB )
     ( resid 9 and name HG21 )
  OR ( resid 7 and name HB2 )
     ( resid 2 and name HG12 )
  OR ( resid 7 and name HB2 )
     ( resid 2 and name HG13 )
  OR ( resid 7 and name HB2 )
     ( resid 2 and name HG11 )
  OR ( resid 7 and name HB2 )
     ( resid 9 and name HG21 )
  OR ( resid 4 and name HB1 )
     ( resid 2 and name HG12 )
  OR ( resid 4 and name HB1 )
     ( resid 2 and name HG13 )
  OR ( resid 4 and name HB1 )
     ( resid 2 and name HG11 )
  OR ( resid 4 and name HB1 )
     ( resid 9 and name HG21 )
ASSI ( resid 8 and name HB2 )
     ( resid 9 and name HG21 )
     6.0 0.1 0.1 peak 256 weight 0.11000E+01 volume 4.96430 ppm1 1.9308686 ppm2 0.8755793
  OR ( resid 8 and name HB1 )
     ( resid 9 and name HG21 )
ASSI ( resid 2 and name HB )
     ( resid 2 and name HG21 )
     6.0 0.1 0.1 peak 257 weight 0.11000E+01 volume 64.35590 ppm1 1.8650867 ppm2 0.7024513
  OR ( resid 2 and name HB )
     ( resid 2 and name HG22 )
  OR ( resid 2 and name HB )
     ( resid 2 and name HG23 )
ASSI ( resid 21 and name HB )
     ( resid 21 and name HG21 )
     6.0 0.1 0.1 peak 258 weight 0.11000E+01 volume 90.59050 ppm1 1.7017850 ppm2 0.9576047
ASSI ( resid 3 and name HG )
     ( resid 3 and name HD12 )
     6.0 0.1 0.1 peak 259 weight 0.11000E+01 volume 88.69010 ppm1 1.6535342 ppm2 0.9341710
  OR ( resid 3 and name HG )
     ( resid 3 and name HD13 )
  OR ( resid 3 and name HG )
     ( resid 3 and name HD11 )
  OR ( resid 3 and name HB1 )
     ( resid 3 and name HD12 )
  OR ( resid 3 and name HB1 )
     ( resid 3 and name HD13 )
  OR ( resid 3 and name HB1 )
     ( resid 3 and name HD11 )
ASSI ( resid 1 and name HB1 )
     ( resid 1 and name HD21 )
     6.0 0.1 0.1 peak 260 weight 0.11000E+01 volume 30.93820 ppm1 1.6881087 ppm2 0.8378120
  OR ( resid 1 and name HB1 )
     ( resid 1 and name HD22 )
  OR ( resid 1 and name HB1 )
     ( resid 1 and name HD23 )
ASSI ( resid 1 and name HB2 )
     ( resid 3 and name HD12 )
     6.0 0.1 0.1 peak 261 weight 0.11000E+01 volume 6.70150 ppm1 1.5843573 ppm2 0.9337811
  OR ( resid 1 and name HB2 )
     ( resid 3 and name HD11 )
  OR ( resid 1 and name HB2 )
     ( resid 3 and name HD13 )
  OR ( resid 4 and name HD1 )
     ( resid 3 and name HD12 )
  OR ( resid 4 and name HD1 )
     ( resid 3 and name HD11 )
  OR ( resid 4 and name HD1 )
     ( resid 3 and name HD13 )
  OR ( resid 4 and name HD2 )
     ( resid 3 and name HD12 )
  OR ( resid 4 and name HD2 )
     ( resid 3 and name HD11 )
  OR ( resid 4 and name HD2 )
     ( resid 3 and name HD13 )
ASSI ( resid 1 and name HB2 )
     ( resid 1 and name HD21 )
     6.0 0.1 0.1 peak 262 weight 0.11000E+01 volume 41.87550 ppm1 1.5837226 ppm2 0.8477342
  OR ( resid 1 and name HB2 )
     ( resid 1 and name HD22 )
  OR ( resid 1 and name HB2 )
     ( resid 1 and name HD23 )
  OR ( resid 1 and name HB2 )
     ( resid 1 and name HD11 )
  OR ( resid 1 and name HB2 )
     ( resid 1 and name HD12 )
  OR ( resid 1 and name HB2 )
     ( resid 1 and name HD13 )
  OR ( resid 1 and name HB2 )
     ( resid 2 and name HG12 )
  OR ( resid 1 and name HB2 )
     ( resid 2 and name HG13 )
  OR ( resid 1 and name HB2 )
     ( resid 2 and name HG11 )
  OR ( resid 4 and name HD2 )
     ( resid 1 and name HD21 )
  OR ( resid 4 and name HD2 )
     ( resid 1 and name HD22 )
  OR ( resid 4 and name HD2 )
     ( resid 1 and name HD23 )
  OR ( resid 4 and name HD2 )
     ( resid 1 and name HD11 )
  OR ( resid 4 and name HD2 )
     ( resid 1 and name HD12 )
  OR ( resid 4 and name HD2 )
     ( resid 1 and name HD13 )
  OR ( resid 4 and name HD2 )
     ( resid 2 and name HG12 )
  OR ( resid 4 and name HD2 )
     ( resid 2 and name HG13 )
  OR ( resid 4 and name HD2 )
     ( resid 2 and name HG11 )
  OR ( resid 4 and name HD1 )
     ( resid 1 and name HD21 )
  OR ( resid 4 and name HD1 )
     ( resid 1 and name HD22 )
  OR ( resid 4 and name HD1 )
     ( resid 1 and name HD23 )
  OR ( resid 4 and name HD1 )
     ( resid 1 and name HD11 )
  OR ( resid 4 and name HD1 )
     ( resid 1 and name HD12 )
  OR ( resid 4 and name HD1 )
     ( resid 1 and name HD13 )
  OR ( resid 4 and name HD1 )
     ( resid 2 and name HG12 )
  OR ( resid 4 and name HD1 )
     ( resid 2 and name HG13 )
  OR ( resid 4 and name HD1 )
     ( resid 2 and name HG11 )
ASSI ( resid 3 and name HG )
     ( resid 3 and name HD21 )
     6.0 0.1 0.1 peak 263 weight 0.11000E+01 volume 80.72390 ppm1 1.6530418 ppm2 0.6822752
  OR ( resid 3 and name HG )
     ( resid 3 and name HD22 )
  OR ( resid 3 and name HG )
     ( resid 3 and name HD23 )
  OR ( resid 3 and name HB1 )
     ( resid 3 and name HD21 )
  OR ( resid 3 and name HB1 )
     ( resid 3 and name HD22 )
  OR ( resid 3 and name HB1 )
     ( resid 3 and name HD23 )
ASSI ( resid 1 and name HG )
     ( resid 1 and name HD21 )
     6.0 0.1 0.1 peak 264 weight 0.11000E+01 volume 83.45510 ppm1 1.4203233 ppm2 0.8470722
  OR ( resid 1 and name HG )
     ( resid 1 and name HD22 )
  OR ( resid 1 and name HG )
     ( resid 1 and name HD23 )
  OR ( resid 1 and name HG )
     ( resid 1 and name HD12 )
  OR ( resid 1 and name HG )
     ( resid 1 and name HD13 )
  OR ( resid 1 and name HG )
     ( resid 1 and name HD11 )
  OR ( resid 1 and name HG )
     ( resid 2 and name HG12 )
  OR ( resid 1 and name HG )
     ( resid 2 and name HG13 )
  OR ( resid 1 and name HG )
     ( resid 2 and name HG11 )
  OR ( resid 4 and name HG1 )
     ( resid 1 and name HD21 )
  OR ( resid 4 and name HG1 )
     ( resid 1 and name HD22 )
  OR ( resid 4 and name HG1 )
     ( resid 1 and name HD23 )
  OR ( resid 4 and name HG1 )
     ( resid 1 and name HD12 )
  OR ( resid 4 and name HG1 )
     ( resid 1 and name HD13 )
  OR ( resid 4 and name HG1 )
     ( resid 1 and name HD11 )
  OR ( resid 4 and name HG1 )
     ( resid 2 and name HG12 )
  OR ( resid 4 and name HG1 )
     ( resid 2 and name HG13 )
  OR ( resid 4 and name HG1 )
     ( resid 2 and name HG11 )
  OR ( resid 4 and name HG2 )
     ( resid 1 and name HD21 )
  OR ( resid 4 and name HG2 )
     ( resid 1 and name HD22 )
  OR ( resid 4 and name HG2 )
     ( resid 1 and name HD23 )
  OR ( resid 4 and name HG2 )
     ( resid 1 and name HD12 )
  OR ( resid 4 and name HG2 )
     ( resid 1 and name HD13 )
  OR ( resid 4 and name HG2 )
     ( resid 1 and name HD11 )
  OR ( resid 4 and name HG2 )
     ( resid 2 and name HG12 )
  OR ( resid 4 and name HG2 )
     ( resid 2 and name HG13 )
  OR ( resid 4 and name HG2 )
     ( resid 2 and name HG11 )
ASSI ( resid 3 and name HB2 )
     ( resid 3 and name HD22 )
     6.0 0.1 0.1 peak 265 weight 0.11000E+01 volume 49.32800 ppm1 1.4462880 ppm2 0.6815887
  OR ( resid 3 and name HB2 )
     ( resid 3 and name HD21 )
  OR ( resid 3 and name HB2 )
     ( resid 3 and name HD23 )
ASSI ( resid 7 and name HG2 )
     ( resid 3 and name HD21 )
     6.0 0.1 0.1 peak 266 weight 0.11000E+01 volume 39.54560 ppm1 1.3955510 ppm2 0.6818161
  OR ( resid 7 and name HG2 )
     ( resid 3 and name HD23 )
  OR ( resid 7 and name HG2 )
     ( resid 3 and name HD22 )
  OR ( resid 23 and name HB1 )
     ( resid 3 and name HD21 )
  OR ( resid 23 and name HB1 )
     ( resid 3 and name HD23 )
  OR ( resid 23 and name HB1 )
     ( resid 3 and name HD22 )
ASSI ( resid 3 and name HB2 )
     ( resid 3 and name HD12 )
     6.0 0.1 0.1 peak 267 weight 0.11000E+01 volume 33.20080 ppm1 1.4451767 ppm2 0.9316707
  OR ( resid 3 and name HB2 )
     ( resid 3 and name HD13 )
  OR ( resid 3 and name HB2 )
     ( resid 3 and name HD11 )
ASSI ( resid 23 and name HB1 )
     ( resid 21 and name HG21 )
     6.0 0.1 0.1 peak 268 weight 0.11000E+01 volume 30.44020 ppm1 1.3967291 ppm2 0.9529395
ASSI ( resid 9 and name HG11 )
     ( resid 9 and name HG21 )
     6.0 0.1 0.1 peak 269 weight 0.11000E+01 volume 44.99830 ppm1 1.3301793 ppm2 0.8636473
  OR ( resid 9 and name HG12 )
     ( resid 9 and name HG21 )
ASSI ( resid 24 and name HG21 )
     ( resid 2 and name HG11 )
     6.0 0.1 0.1 peak 270 weight 0.11000E+01 volume 5.59140 ppm1 1.2528238 ppm2 0.8601380
  OR ( resid 24 and name HG21 )
     ( resid 2 and name HG12 )
  OR ( resid 24 and name HG21 )
     ( resid 2 and name HG13 )
ASSI ( resid 24 and name HG21 )
     ( resid 2 and name HG21 )
     6.0 0.1 0.1 peak 271 weight 0.11000E+01 volume 5.91380 ppm1 1.2507124 ppm2 0.6995289
  OR ( resid 24 and name HG21 )
     ( resid 2 and name HG22 )
  OR ( resid 24 and name HG21 )
     ( resid 2 and name HG23 )
ASSI ( resid 34 and name HB1 )
     ( resid 34 and name HB2 )
     6.0 0.1 0.1 peak 272 weight 0.11000E+01 volume 199.53970 ppm1 1.2888693 ppm2 0.9917312
ASSI ( resid 39 and name HB2 )
     ( resid 39 and name HG2 )
     6.0 0.1 0.1 peak 273 weight 0.11000E+01 volume 22.67020 ppm1 1.3544787 ppm2 1.1594617
  OR ( resid 39 and name HB2 )
     ( resid 39 and name HG1 )
  OR ( resid 39 and name HB1 )
     ( resid 39 and name HG2 )
  OR ( resid 39 and name HB1 )
     ( resid 39 and name HG1 )
ASSI ( resid 21 and name HG12 )
     ( resid 21 and name HD11 )
     6.0 0.1 0.1 peak 274 weight 0.11000E+01 volume 3.71240 ppm1 1.2792461 ppm2 1.1119837
ASSI ( resid 21 and name HD11 )
     ( resid 21 and name HG21 )
     6.0 0.1 0.1 peak 275 weight 0.11000E+01 volume 1.03990 ppm1 1.1038463 ppm2 0.9492224
ASSI ( resid 3 and name HD12 )
     ( resid 3 and name HD21 )
     6.0 0.1 0.1 peak 276 weight 0.11000E+01 volume 32.54890 ppm1 0.9320261 ppm2 0.6803946
  OR ( resid 3 and name HD12 )
     ( resid 3 and name HD22 )
  OR ( resid 3 and name HD12 )
     ( resid 3 and name HD23 )
  OR ( resid 3 and name HD13 )
     ( resid 3 and name HD21 )
  OR ( resid 3 and name HD13 )
     ( resid 3 and name HD22 )
  OR ( resid 3 and name HD13 )
     ( resid 3 and name HD23 )
  OR ( resid 3 and name HD11 )
     ( resid 3 and name HD21 )
  OR ( resid 3 and name HD11 )
     ( resid 3 and name HD22 )
  OR ( resid 3 and name HD11 )
     ( resid 3 and name HD23 )
ASSI ( resid 6 and name HA )
     ( resid 34 and name HD12 )
     6.0 0.1 0.1 peak 277 weight 0.11000E+01 volume 4.47180 ppm1 5.0449281 ppm2 -0.0381094
  OR ( resid 6 and name HA )
     ( resid 34 and name HD11 )
  OR ( resid 6 and name HA )
     ( resid 34 and name HD13 )
ASSI ( resid 6 and name HA )
     ( resid 34 and name HD22 )
     6.0 0.1 0.1 peak 278 weight 0.11000E+01 volume 1.77770 ppm1 5.0449281 ppm2 -0.2816068
  OR ( resid 6 and name HA )
     ( resid 34 and name HD23 )
  OR ( resid 6 and name HA )
     ( resid 34 and name HD21 )
ASSI ( resid 33 and name HA )
     ( resid 34 and name HD22 )
     6.0 0.1 0.1 peak 279 weight 0.11000E+01 volume 3.38190 ppm1 4.8870888 ppm2 -0.2799926
  OR ( resid 33 and name HA )
     ( resid 34 and name HD23 )
  OR ( resid 33 and name HA )
     ( resid 34 and name HD21 )
  OR ( resid 22 and name HA )
     ( resid 34 and name HD22 )
  OR ( resid 22 and name HA )
     ( resid 34 and name HD23 )
  OR ( resid 22 and name HA )
     ( resid 34 and name HD21 )
ASSI ( resid 16 and name HA )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 280 weight 0.11000E+01 volume 14.44430 ppm1 4.8566356 ppm2 -0.4954095
ASSI ( resid 34 and name HA )
     ( resid 34 and name HD21 )
     6.0 0.1 0.1 peak 281 weight 0.11000E+01 volume 7.26130 ppm1 4.6998630 ppm2 -0.2791376
  OR ( resid 34 and name HA )
     ( resid 34 and name HD22 )
  OR ( resid 34 and name HA )
     ( resid 34 and name HD23 )
ASSI ( resid 34 and name HA )
     ( resid 34 and name HD12 )
     6.0 0.1 0.1 peak 282 weight 0.11000E+01 volume 51.02870 ppm1 4.7002239 ppm2 -0.0385382
  OR ( resid 34 and name HA )
     ( resid 34 and name HD11 )
  OR ( resid 34 and name HA )
     ( resid 34 and name HD13 )
ASSI ( resid 10 and name HA1 )
     ( resid 34 and name HD11 )
     6.0 0.1 0.1 peak 283 weight 0.11000E+01 volume 20.94650 ppm1 4.6452794 ppm2 -0.0381094
  OR ( resid 10 and name HA1 )
     ( resid 34 and name HD12 )
  OR ( resid 10 and name HA1 )
     ( resid 34 and name HD13 )
ASSI ( resid 7 and name HD1 )
     ( resid 34 and name HD11 )
     6.0 0.1 0.1 peak 284 weight 0.11000E+01 volume 11.43730 ppm1 4.0781307 ppm2 -0.0404849
  OR ( resid 7 and name HD1 )
     ( resid 34 and name HD12 )
  OR ( resid 7 and name HD1 )
     ( resid 34 and name HD13 )
ASSI ( resid 7 and name HD1 )
     ( resid 34 and name HD21 )
     6.0 0.1 0.1 peak 285 weight 0.11000E+01 volume 4.61240 ppm1 4.0761795 ppm2 -0.2803678
  OR ( resid 7 and name HD1 )
     ( resid 34 and name HD22 )
  OR ( resid 7 and name HD1 )
     ( resid 34 and name HD23 )
ASSI ( resid 35 and name HD1 )
     ( resid 34 and name HD12 )
     6.0 0.1 0.1 peak 286 weight 0.11000E+01 volume 16.81780 ppm1 3.7834513 ppm2 -0.0394673
  OR ( resid 35 and name HD1 )
     ( resid 34 and name HD11 )
  OR ( resid 35 and name HD1 )
     ( resid 34 and name HD13 )
ASSI ( resid 38 and name HB1 )
     ( resid 34 and name HD21 )
     6.0 0.1 0.1 peak 287 weight 0.11000E+01 volume 27.13370 ppm1 3.2362480 ppm2 -0.2786258
  OR ( resid 38 and name HB1 )
     ( resid 34 and name HD22 )
  OR ( resid 38 and name HB1 )
     ( resid 34 and name HD23 )
  OR ( resid 10 and name HA2 )
     ( resid 34 and name HD21 )
  OR ( resid 10 and name HA2 )
     ( resid 34 and name HD22 )
  OR ( resid 10 and name HA2 )
     ( resid 34 and name HD23 )
  OR ( resid 7 and name HD2 )
     ( resid 34 and name HD21 )
  OR ( resid 7 and name HD2 )
     ( resid 34 and name HD22 )
  OR ( resid 7 and name HD2 )
     ( resid 34 and name HD23 )
ASSI ( resid 35 and name HD2 )
     ( resid 34 and name HD12 )
     6.0 0.1 0.1 peak 288 weight 0.11000E+01 volume 96.73440 ppm1 3.2627997 ppm2 -0.0416640
  OR ( resid 35 and name HD2 )
     ( resid 34 and name HD13 )
  OR ( resid 35 and name HD2 )
     ( resid 34 and name HD11 )
  OR ( resid 38 and name HB1 )
     ( resid 34 and name HD12 )
  OR ( resid 38 and name HB1 )
     ( resid 34 and name HD13 )
  OR ( resid 38 and name HB1 )
     ( resid 34 and name HD11 )
  OR ( resid 10 and name HA2 )
     ( resid 34 and name HD12 )
  OR ( resid 10 and name HA2 )
     ( resid 34 and name HD13 )
  OR ( resid 10 and name HA2 )
     ( resid 34 and name HD11 )
  OR ( resid 7 and name HD2 )
     ( resid 34 and name HD12 )
  OR ( resid 7 and name HD2 )
     ( resid 34 and name HD13 )
  OR ( resid 7 and name HD2 )
     ( resid 34 and name HD11 )
ASSI ( resid 16 and name HB1 )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 289 weight 0.11000E+01 volume 109.93910 ppm1 2.7244537 ppm2 -0.4952990
ASSI ( resid 7 and name HB1 )
     ( resid 34 and name HD11 )
     6.0 0.1 0.1 peak 290 weight 0.11000E+01 volume 2.60370 ppm1 2.4684777 ppm2 -0.0385237
  OR ( resid 7 and name HB1 )
     ( resid 34 and name HD12 )
  OR ( resid 7 and name HB1 )
     ( resid 34 and name HD13 )
ASSI ( resid 33 and name HB1 )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 291 weight 0.11000E+01 volume 3.78520 ppm1 2.3548706 ppm2 -0.4923709
ASSI ( resid 20 and name HB1 )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 292 weight 0.11000E+01 volume 8.10830 ppm1 1.9241970 ppm2 -0.4952990
ASSI ( resid 20 and name HB2 )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 293 weight 0.11000E+01 volume 2.93390 ppm1 1.8422587 ppm2 -0.4943364
ASSI ( resid 21 and name HB )
     ( resid 34 and name HD22 )
     6.0 0.1 0.1 peak 294 weight 0.11000E+01 volume 13.42040 ppm1 1.7013767 ppm2 -0.2807413
  OR ( resid 21 and name HB )
     ( resid 34 and name HD23 )
  OR ( resid 21 and name HB )
     ( resid 34 and name HD21 )
ASSI ( resid 3 and name HG )
     ( resid 34 and name HD21 )
     6.0 0.1 0.1 peak 295 weight 0.11000E+01 volume 5.91050 ppm1 1.6495261 ppm2 -0.2786235
  OR ( resid 3 and name HG )
     ( resid 34 and name HD22 )
  OR ( resid 3 and name HG )
     ( resid 34 and name HD23 )
ASSI ( resid 7 and name HG1 )
     ( resid 34 and name HD11 )
     6.0 0.1 0.1 peak 296 weight 0.11000E+01 volume 10.67490 ppm1 1.7473147 ppm2 -0.0341316
  OR ( resid 7 and name HG1 )
     ( resid 34 and name HD12 )
  OR ( resid 7 and name HG1 )
     ( resid 34 and name HD13 )
ASSI ( resid 7 and name HB2 )
     ( resid 34 and name HD11 )
     6.0 0.1 0.1 peak 297 weight 0.11000E+01 volume 11.65880 ppm1 1.8666742 ppm2 -0.0399877
  OR ( resid 7 and name HB2 )
     ( resid 34 and name HD12 )
  OR ( resid 7 and name HB2 )
     ( resid 34 and name HD13 )
ASSI ( resid 23 and name HB1 )
     ( resid 34 and name HD22 )
     6.0 0.1 0.1 peak 298 weight 0.11000E+01 volume 55.69450 ppm1 1.3950711 ppm2 -0.2790722
  OR ( resid 23 and name HB1 )
     ( resid 34 and name HD23 )
  OR ( resid 23 and name HB1 )
     ( resid 34 and name HD21 )
ASSI ( resid 34 and name HB1 )
     ( resid 34 and name HD21 )
     6.0 0.1 0.1 peak 299 weight 0.11000E+01 volume 39.43110 ppm1 1.2885973 ppm2 -0.2793768
  OR ( resid 34 and name HB1 )
     ( resid 34 and name HD22 )
  OR ( resid 34 and name HB1 )
     ( resid 34 and name HD23 )
ASSI ( resid 34 and name HG )
     ( resid 34 and name HD21 )
     6.0 0.1 0.1 peak 300 weight 0.11000E+01 volume 56.92450 ppm1 1.2193741 ppm2 -0.2784101
  OR ( resid 34 and name HG )
     ( resid 34 and name HD22 )
  OR ( resid 34 and name HG )
     ( resid 34 and name HD23 )
ASSI ( resid 23 and name HB1 )
     ( resid 34 and name HD12 )
     6.0 0.1 0.1 peak 301 weight 0.11000E+01 volume 21.87310 ppm1 1.4051623 ppm2 -0.0368871
  OR ( resid 23 and name HB1 )
     ( resid 34 and name HD13 )
  OR ( resid 23 and name HB1 )
     ( resid 34 and name HD11 )
  OR ( resid 7 and name HG2 )
     ( resid 34 and name HD12 )
  OR ( resid 7 and name HG2 )
     ( resid 34 and name HD13 )
  OR ( resid 7 and name HG2 )
     ( resid 34 and name HD11 )
ASSI ( resid 34 and name HB1 )
     ( resid 34 and name HD11 )
     6.0 0.1 0.1 peak 302 weight 0.11000E+01 volume 25.53520 ppm1 1.2903680 ppm2 -0.0391231
  OR ( resid 34 and name HB1 )
     ( resid 34 and name HD12 )
  OR ( resid 34 and name HB1 )
     ( resid 34 and name HD13 )
ASSI ( resid 34 and name HG )
     ( resid 34 and name HD11 )
     6.0 0.1 0.1 peak 303 weight 0.11000E+01 volume 56.37920 ppm1 1.2169753 ppm2 -0.0385528
  OR ( resid 34 and name HG )
     ( resid 34 and name HD12 )
  OR ( resid 34 and name HG )
     ( resid 34 and name HD13 )
ASSI ( resid 21 and name HD11 )
     ( resid 34 and name HD22 )
     6.0 0.1 0.1 peak 304 weight 0.11000E+01 volume 6.50780 ppm1 1.1089705 ppm2 -0.2756365
  OR ( resid 21 and name HD11 )
     ( resid 34 and name HD23 )
  OR ( resid 21 and name HD11 )
     ( resid 34 and name HD21 )
ASSI ( resid 34 and name HB2 )
     ( resid 34 and name HD21 )
     6.0 0.1 0.1 peak 305 weight 0.11000E+01 volume 29.05120 ppm1 1.0009447 ppm2 -0.2790214
  OR ( resid 34 and name HB2 )
     ( resid 34 and name HD23 )
  OR ( resid 34 and name HB2 )
     ( resid 34 and name HD22 )
ASSI ( resid 34 and name HB2 )
     ( resid 34 and name HD11 )
     6.0 0.1 0.1 peak 306 weight 0.11000E+01 volume 42.75780 ppm1 0.9995747 ppm2 -0.0385237
  OR ( resid 34 and name HB2 )
     ( resid 34 and name HD12 )
  OR ( resid 34 and name HB2 )
     ( resid 34 and name HD13 )
ASSI ( resid 3 and name HD13 )
     ( resid 34 and name HD22 )
     6.0 0.1 0.1 peak 307 weight 0.11000E+01 volume 24.34840 ppm1 0.9420521 ppm2 -0.2771595
  OR ( resid 3 and name HD13 )
     ( resid 34 and name HD23 )
  OR ( resid 3 and name HD13 )
     ( resid 34 and name HD21 )
  OR ( resid 3 and name HD11 )
     ( resid 34 and name HD22 )
  OR ( resid 3 and name HD11 )
     ( resid 34 and name HD23 )
  OR ( resid 3 and name HD11 )
     ( resid 34 and name HD21 )
  OR ( resid 3 and name HD12 )
     ( resid 34 and name HD22 )
  OR ( resid 3 and name HD12 )
     ( resid 34 and name HD23 )
  OR ( resid 3 and name HD12 )
     ( resid 34 and name HD21 )
ASSI ( resid 1 and name HD21 )
     ( resid 34 and name HD23 )
     6.0 0.1 0.1 peak 308 weight 0.11000E+01 volume 9.44380 ppm1 0.8325856 ppm2 -0.2780311
  OR ( resid 1 and name HD21 )
     ( resid 34 and name HD22 )
  OR ( resid 1 and name HD21 )
     ( resid 34 and name HD21 )
  OR ( resid 1 and name HD23 )
     ( resid 34 and name HD23 )
  OR ( resid 1 and name HD23 )
     ( resid 34 and name HD22 )
  OR ( resid 1 and name HD23 )
     ( resid 34 and name HD21 )
  OR ( resid 1 and name HD22 )
     ( resid 34 and name HD23 )
  OR ( resid 1 and name HD22 )
     ( resid 34 and name HD22 )
  OR ( resid 1 and name HD22 )
     ( resid 34 and name HD21 )
ASSI ( resid 9 and name HG21 )
     ( resid 34 and name HD12 )
     6.0 0.1 0.1 peak 309 weight 0.11000E+01 volume 14.18010 ppm1 0.8677170 ppm2 -0.0407247
  OR ( resid 9 and name HG21 )
     ( resid 34 and name HD13 )
  OR ( resid 9 and name HG21 )
     ( resid 34 and name HD11 )
ASSI ( resid 3 and name HD21 )
     ( resid 34 and name HD12 )
     6.0 0.1 0.1 peak 310 weight 0.11000E+01 volume 6.84140 ppm1 0.6826896 ppm2 -0.0372815
  OR ( resid 3 and name HD21 )
     ( resid 34 and name HD13 )
  OR ( resid 3 and name HD21 )
     ( resid 34 and name HD11 )
  OR ( resid 3 and name HD23 )
     ( resid 34 and name HD12 )
  OR ( resid 3 and name HD23 )
     ( resid 34 and name HD13 )
  OR ( resid 3 and name HD23 )
     ( resid 34 and name HD11 )
  OR ( resid 3 and name HD22 )
     ( resid 34 and name HD12 )
  OR ( resid 3 and name HD22 )
     ( resid 34 and name HD13 )
  OR ( resid 3 and name HD22 )
     ( resid 34 and name HD11 )
ASSI ( resid 3 and name HD21 )
     ( resid 34 and name HD23 )
     6.0 0.1 0.1 peak 311 weight 0.11000E+01 volume 34.42290 ppm1 0.6825540 ppm2 -0.2786966
  OR ( resid 3 and name HD21 )
     ( resid 34 and name HD22 )
  OR ( resid 3 and name HD21 )
     ( resid 34 and name HD21 )
  OR ( resid 3 and name HD23 )
     ( resid 34 and name HD23 )
  OR ( resid 3 and name HD23 )
     ( resid 34 and name HD22 )
  OR ( resid 3 and name HD23 )
     ( resid 34 and name HD21 )
  OR ( resid 3 and name HD22 )
     ( resid 34 and name HD23 )
  OR ( resid 3 and name HD22 )
     ( resid 34 and name HD22 )
  OR ( resid 3 and name HD22 )
     ( resid 34 and name HD21 )
ASSI ( resid 34 and name HD12 )
     ( resid 34 and name HD21 )
     6.0 0.1 0.1 peak 312 weight 0.11000E+01 volume 41.09300 ppm1 -0.0376577 ppm2 -0.2789331
  OR ( resid 34 and name HD12 )
     ( resid 34 and name HD22 )
  OR ( resid 34 and name HD12 )
     ( resid 34 and name HD23 )
  OR ( resid 34 and name HD13 )
     ( resid 34 and name HD21 )
  OR ( resid 34 and name HD13 )
     ( resid 34 and name HD22 )
  OR ( resid 34 and name HD13 )
     ( resid 34 and name HD23 )
  OR ( resid 34 and name HD11 )
     ( resid 34 and name HD21 )
  OR ( resid 34 and name HD11 )
     ( resid 34 and name HD22 )
  OR ( resid 34 and name HD11 )
     ( resid 34 and name HD23 )
ASSI ( resid 20 and name HG1 )
     ( resid 20 and name HB2 )
     6.0 0.1 0.1 peak 313 weight 0.11000E+01 volume 27.69230 ppm1 2.3557091 ppm2 1.8386531
  OR ( resid 33 and name HB1 )
     ( resid 20 and name HB2 )
ASSI ( resid 29 and name HE2 )
     ( resid 29 and name HG2 )
     6.0 0.1 0.1 peak 314 weight 0.11000E+01 volume 5.05840 ppm1 2.9716454 ppm2 1.4030616
  OR ( resid 29 and name HE1 )
     ( resid 29 and name HG2 )
ASSI ( resid 29 and name HE2 )
     ( resid 29 and name HG1 )
     6.0 0.1 0.1 peak 315 weight 0.11000E+01 volume 4.12530 ppm1 2.9735417 ppm2 1.4764069
  OR ( resid 29 and name HE1 )
     ( resid 29 and name HG1 )
ASSI ( resid 41 and name HE1 )
     ( resid 41 and name HG1 )
     6.0 0.1 0.1 peak 316 weight 0.11000E+01 volume 2.95770 ppm1 2.8420007 ppm2 1.1144198
  OR ( resid 41 and name HE1 )
     ( resid 41 and name HG2 )
  OR ( resid 41 and name HE2 )
     ( resid 41 and name HG1 )
  OR ( resid 41 and name HE2 )
     ( resid 41 and name HG2 )
ASSI ( resid 7 and name HD1 )
     ( resid 3 and name HB1 )
     6.0 0.1 0.1 peak 317 weight 0.11000E+01 volume 3.46070 ppm1 4.0755963 ppm2 1.6546814
  OR ( resid 7 and name HD1 )
     ( resid 3 and name HG )
ASSI ( resid 23 and name HA )
     ( resid 21 and name HG21 )
     6.0 0.1 0.1 peak 318 weight 0.11000E+01 volume 6.47790 ppm1 4.8486257 ppm2 0.9538631
ASSI ( resid 2 and name HG13 )
     ( resid 2 and name HG22 )
     6.0 0.1 0.1 peak 319 weight 0.11000E+01 volume 7.26440 ppm1 0.8523711 ppm2 0.6926188
  OR ( resid 2 and name HG13 )
     ( resid 2 and name HG21 )
  OR ( resid 2 and name HG13 )
     ( resid 2 and name HG23 )
  OR ( resid 2 and name HG12 )
     ( resid 2 and name HG22 )
  OR ( resid 2 and name HG12 )
     ( resid 2 and name HG21 )
  OR ( resid 2 and name HG12 )
     ( resid 2 and name HG23 )
  OR ( resid 2 and name HG11 )
     ( resid 2 and name HG22 )
  OR ( resid 2 and name HG11 )
     ( resid 2 and name HG21 )
  OR ( resid 2 and name HG11 )
     ( resid 2 and name HG23 )
ASSI ( resid 2 and name HA )
     ( resid 1 and name HA )
     6.0 0.1 0.1 peak 320 weight 0.11000E+01 volume 1.48800 ppm1 4.4355035 ppm2 3.9817860
ASSI ( resid 35 and name HA )
     ( resid 36 and name HA )
     6.0 0.1 0.1 peak 321 weight 0.11000E+01 volume 1.72750 ppm1 4.6118665 ppm2 4.1646080
ASSI ( resid 25 and name HB1 )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 322 weight 0.11000E+01 volume 3.08030 ppm1 3.3580477 ppm2 2.2630081
ASSI ( resid 24 and name HA )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 323 weight 0.11000E+01 volume 1.95580 ppm1 4.6739230 ppm2 2.2549353
ASSI ( resid 31 and name HD1 )
     ( resid 30 and name HE1 )
     6.0 0.1 0.1 peak 324 weight 0.11000E+01 volume 9.45350 ppm1 6.9952898 ppm2 2.0719218
  OR ( resid 31 and name HE1 )
     ( resid 30 and name HE1 )
ASSI ( resid 5 and name HA )
     ( resid 4 and name HB1 )
     6.0 0.1 0.1 peak 325 weight 0.11000E+01 volume 1.62170 ppm1 4.6407242 ppm2 1.8673421
  OR ( resid 5 and name HA )
     ( resid 7 and name HB2 )
  OR ( resid 10 and name HA1 )
     ( resid 4 and name HB1 )
  OR ( resid 10 and name HA1 )
     ( resid 7 and name HB2 )
ASSI ( resid 17 and name HA )
     ( resid 18 and name HB2 )
     6.0 0.1 0.1 peak 326 weight 0.11000E+01 volume 2.56940 ppm1 4.6308908 ppm2 2.0033295
  OR ( resid 17 and name HA )
     ( resid 18 and name HB1 )
ASSI ( resid 29 and name HE2 )
     ( resid 30 and name HE1 )
     6.0 0.1 0.1 peak 327 weight 0.11000E+01 volume 2.06640 ppm1 2.9671359 ppm2 2.0710442
  OR ( resid 29 and name HE1 )
     ( resid 30 and name HE1 )
  OR ( resid 14 and name HB1 )
     ( resid 30 and name HE1 )
  OR ( resid 14 and name HB2 )
     ( resid 30 and name HE1 )
ASSI ( resid 6 and name HA )
     ( resid 3 and name HD11 )
     6.0 0.1 0.1 peak 328 weight 0.11000E+01 volume 1.74370 ppm1 5.0440073 ppm2 0.9294218
ASSI ( resid 24 and name HA )
     ( resid 3 and name HD23 )
     6.0 0.1 0.1 peak 329 weight 0.11000E+01 volume 1.66110 ppm1 4.6787319 ppm2 0.6932134
ASSI ( resid 22 and name HA )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 330 weight 0.11000E+01 volume 4.14260 ppm1 4.8847284 ppm2 -0.4970582
ASSI ( resid 33 and name HA )
     ( resid 34 and name HD13 )
     6.0 0.1 0.1 peak 331 weight 0.11000E+01 volume 0.94990 ppm1 4.8885536 ppm2 -0.0385997
  OR ( resid 33 and name HA )
     ( resid 34 and name HD11 )
  OR ( resid 33 and name HA )
     ( resid 34 and name HD12 )


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LEU   1           H1       LEU   1   3.198   0.926   9.817
    2    H2   LEU   1           H2       LEU   1   2.620   2.452   9.393
    3    H3   LEU   1           H3       LEU   1   4.281   2.149   9.396
    4    HA   LEU   1           HA       LEU   1   4.270   1.115   7.419
    5    HB2  LEU   1           HB2      LEU   1   2.846  -0.671   8.425
    6    HB3  LEU   1           HB3      LEU   1   1.427   0.271   8.017
    7    HG   LEU   1           HG       LEU   1   2.002   0.046   5.620
    8   HD11  LEU   1          HD11      LEU   1   4.342  -1.385   6.760
    9   HD12  LEU   1          HD12      LEU   1   4.243  -0.290   5.382
   10   HD13  LEU   1          HD13      LEU   1   3.664  -1.947   5.233
   11   HD21  LEU   1          HD21      LEU   1   1.858  -2.640   6.964
   12   HD22  LEU   1          HD22      LEU   1   1.218  -2.181   5.386
   13   HD23  LEU   1          HD23      LEU   1   0.488  -1.535   6.855
   14    H    VAL   2           H        VAL   2   3.813   3.782   7.813
   15    HA   VAL   2           HA       VAL   2   1.595   4.586   6.110
   16    HB   VAL   2           HB       VAL   2   3.564   6.296   7.632
   17   HG11  VAL   2          HG11      VAL   2   2.647   7.512   5.769
   18   HG12  VAL   2          HG12      VAL   2   1.886   8.084   7.253
   19   HG13  VAL   2          HG13      VAL   2   1.013   6.990   6.181
   20   HG21  VAL   2          HG21      VAL   2   0.748   5.454   8.307
   21   HG22  VAL   2          HG22      VAL   2   1.677   6.668   9.184
   22   HG23  VAL   2          HG23      VAL   2   2.221   4.991   9.159
   23    H    LEU   3           H        LEU   3   1.793   5.409   4.133
   24    HA   LEU   3           HA       LEU   3   4.473   5.672   2.955
   25    HB2  LEU   3           HB2      LEU   3   1.862   4.709   1.815
   26    HB3  LEU   3           HB3      LEU   3   3.143   5.292   0.785
   27    HG   LEU   3           HG       LEU   3   4.618   3.506   1.622
   28   HD11  LEU   3          HD11      LEU   3   2.162   2.624   3.131
   29   HD12  LEU   3          HD12      LEU   3   3.699   3.141   3.821
   30   HD13  LEU   3          HD13      LEU   3   3.611   1.646   2.893
   31   HD21  LEU   3          HD21      LEU   3   2.007   2.953   0.305
   32   HD22  LEU   3          HD22      LEU   3   3.086   1.604   0.677
   33   HD23  LEU   3          HD23      LEU   3   3.642   2.914  -0.365
   34    H    LYS   4           H        LYS   4   4.893   7.539   1.801
   35    HA   LYS   4           HA       LYS   4   3.403   9.858   2.351
   36    HB2  LYS   4           HB2      LYS   4   5.409   9.269   0.165
   37    HB3  LYS   4           HB3      LYS   4   4.730  10.862   0.445
   38    HG2  LYS   4           HG2      LYS   4   6.926  10.684   1.433
   39    HG3  LYS   4           HG3      LYS   4   5.704  10.882   2.688
   40    HD2  LYS   4           HD2      LYS   4   5.811   8.566   3.260
   41    HD3  LYS   4           HD3      LYS   4   6.819   8.208   1.856
   42    HE2  LYS   4           HE2      LYS   4   8.636   9.492   2.781
   43    HE3  LYS   4           HE3      LYS   4   7.629  10.017   4.126
   44    HZ1  LYS   4           HZ1      LYS   4   8.517   7.243   3.574
   45    HZ2  LYS   4           HZ2      LYS   4   7.469   7.686   4.823
   46    HZ3  LYS   4           HZ3      LYS   4   9.066   8.241   4.821
   47    H    TYR   5           H        TYR   5   3.384   7.566  -0.250
   48    HA   TYR   5           HA       TYR   5   0.749   8.314  -1.114
   49    HB2  TYR   5           HB2      TYR   5   1.566   8.680  -3.510
   50    HB3  TYR   5           HB3      TYR   5   1.888   9.988  -2.374
   51    HD1  TYR   5           HD1      TYR   5   3.423   7.118  -4.137
   52    HD2  TYR   5           HD2      TYR   5   4.106  10.636  -1.846
   53    HE1  TYR   5           HE1      TYR   5   5.828   6.959  -4.614
   54    HE2  TYR   5           HE2      TYR   5   6.512  10.488  -2.319
   55    HH   TYR   5           HH       TYR   5   7.815   7.938  -4.423
   56    H    CYS   6           H        CYS   6  -0.108   6.755  -2.634
   57    HA   CYS   6           HA       CYS   6   0.862   4.122  -2.161
   58    HB2  CYS   6           HB2      CYS   6  -1.550   4.750  -2.443
   59    HB3  CYS   6           HB3      CYS   6  -1.234   5.021  -4.151
   60    HA   PRO   7           HA       PRO   7   3.885   4.112  -5.463
   61    HB2  PRO   7           HB2      PRO   7   3.691   1.176  -5.140
   62    HB3  PRO   7           HB3      PRO   7   5.106   2.225  -5.051
   63    HG2  PRO   7           HG2      PRO   7   4.044   1.143  -2.857
   64    HG3  PRO   7           HG3      PRO   7   4.714   2.784  -2.843
   65    HD2  PRO   7           HD2      PRO   7   1.862   1.899  -2.932
   66    HD3  PRO   7           HD3      PRO   7   2.593   3.260  -2.059
   67    H    LYS   8           H        LYS   8   3.665   4.052  -7.613
   68    HA   LYS   8           HA       LYS   8   1.293   3.629  -8.907
   69    HB2  LYS   8           HB2      LYS   8   2.572   3.542 -11.001
   70    HB3  LYS   8           HB3      LYS   8   3.092   4.843  -9.942
   71    HG2  LYS   8           HG2      LYS   8   5.043   3.605  -9.290
   72    HG3  LYS   8           HG3      LYS   8   4.495   2.193 -10.198
   73    HD2  LYS   8           HD2      LYS   8   4.660   3.425 -12.272
   74    HD3  LYS   8           HD3      LYS   8   5.110   4.887 -11.398
   75    HE2  LYS   8           HE2      LYS   8   6.701   2.323 -11.458
   76    HE3  LYS   8           HE3      LYS   8   7.055   3.764 -12.408
   77    HZ1  LYS   8           HZ1      LYS   8   6.834   4.554  -9.748
   78    HZ2  LYS   8           HZ2      LYS   8   8.224   4.519 -10.709
   79    HZ3  LYS   8           HZ3      LYS   8   7.815   3.179  -9.768
   80    H    ILE   9           H        ILE   9   3.748   1.247  -8.147
   81    HA   ILE   9           HA       ILE   9   2.932  -0.783  -9.887
   82    HB   ILE   9           HB       ILE   9   5.028  -0.953  -8.672
   83   HG12  ILE   9          HG12      ILE   9   4.898  -3.303  -7.983
   84   HG13  ILE   9          HG13      ILE   9   3.144  -3.193  -7.891
   85   HG21  ILE   9          HG21      ILE   9   3.579  -0.166  -6.470
   86   HG22  ILE   9          HG22      ILE   9   5.253  -0.715  -6.467
   87   HG23  ILE   9          HG23      ILE   9   3.951  -1.854  -6.127
   88   HD11  ILE   9          HD11      ILE   9   2.895  -3.184 -10.174
   89   HD12  ILE   9          HD12      ILE   9   4.284  -4.249  -9.967
   90   HD13  ILE   9          HD13      ILE   9   4.525  -2.573 -10.458
   91    H    GLY  10           H        GLY  10   1.706   0.170  -6.730
   92    HA2  GLY  10           HA2      GLY  10  -0.193  -2.060  -6.764
   93    HA3  GLY  10           HA3      GLY  10   0.119  -0.986  -5.416
   94    H    TYR  11           H        TYR  11  -2.127  -0.783  -5.180
   95    HA   TYR  11           HA       TYR  11  -3.187   1.475  -6.595
   96    HB2  TYR  11           HB2      TYR  11  -5.376   0.305  -7.101
   97    HB3  TYR  11           HB3      TYR  11  -4.027  -0.118  -8.141
   98    HD1  TYR  11           HD1      TYR  11  -5.488  -1.354  -4.904
   99    HD2  TYR  11           HD2      TYR  11  -3.905  -2.319  -8.730
  100    HE1  TYR  11           HE1      TYR  11  -5.909  -3.729  -4.474
  101    HE2  TYR  11           HE2      TYR  11  -4.331  -4.701  -8.310
  102    HH   TYR  11           HH       TYR  11  -6.330  -5.872  -6.269
  103    H    CYS  12           H        CYS  12  -4.808   2.522  -5.376
  104    HA   CYS  12           HA       CYS  12  -4.791   1.688  -2.587
  105    HB2  CYS  12           HB2      CYS  12  -4.165   3.990  -3.180
  106    HB3  CYS  12           HB3      CYS  12  -5.760   4.242  -3.872
  107    H    SER  13           H        SER  13  -6.504   1.012  -1.463
  108    HA   SER  13           HA       SER  13  -9.209   1.343  -2.452
  109    HB2  SER  13           HB2      SER  13  -8.066  -1.427  -2.000
  110    HB3  SER  13           HB3      SER  13  -9.707  -1.033  -2.509
  111    HG   SER  13           HG       SER  13  -7.875   0.116  -4.139
  112    H    ASN  14           H        ASN  14 -10.810   0.595  -0.854
  113    HA   ASN  14           HA       ASN  14 -10.278   1.517   1.704
  114    HB2  ASN  14           HB2      ASN  14 -12.437   0.630   2.351
  115    HB3  ASN  14           HB3      ASN  14 -12.545   1.329   0.741
  116   HD21  ASN  14          HD21      ASN  14 -13.513   0.156  -0.744
  117   HD22  ASN  14          HD22      ASN  14 -13.767  -1.553  -0.682
  118    H    THR  15           H        THR  15  -9.925  -1.698   0.392
  119    HA   THR  15           HA       THR  15  -8.429  -2.452   2.757
  120    HB   THR  15           HB       THR  15  -9.636  -4.606   3.019
  121    HG1  THR  15           HG1      THR  15 -11.471  -3.363   1.219
  122   HG21  THR  15          HG21      THR  15 -10.112  -2.601   4.447
  123   HG22  THR  15          HG22      THR  15 -11.442  -3.752   4.330
  124   HG23  THR  15          HG23      THR  15 -11.487  -2.257   3.399
  125    H    CYS  16           H        CYS  16  -6.903  -4.036   2.352
  126    HA   CYS  16           HA       CYS  16  -6.601  -4.771  -0.480
  127    HB2  CYS  16           HB2      CYS  16  -4.479  -4.455   1.650
  128    HB3  CYS  16           HB3      CYS  16  -4.194  -4.836  -0.046
  129    H    SER  17           H        SER  17  -6.071  -6.844  -1.057
  130    HA   SER  17           HA       SER  17  -7.045  -8.939   0.503
  131    HB2  SER  17           HB2      SER  17  -6.652  -8.868  -2.034
  132    HB3  SER  17           HB3      SER  17  -4.977  -9.280  -1.669
  133    HG   SER  17           HG       SER  17  -7.203 -10.795  -0.762
  134    H    LYS  18           H        LYS  18  -6.021 -10.527   1.731
  135    HA   LYS  18           HA       LYS  18  -4.117  -9.837   3.520
  136    HB2  LYS  18           HB2      LYS  18  -4.683 -12.576   2.386
  137    HB3  LYS  18           HB3      LYS  18  -3.686 -12.302   3.809
  138    HG2  LYS  18           HG2      LYS  18  -6.537 -11.369   3.592
  139    HG3  LYS  18           HG3      LYS  18  -6.074 -12.937   4.254
  140    HD2  LYS  18           HD2      LYS  18  -4.877 -11.930   6.037
  141    HD3  LYS  18           HD3      LYS  18  -4.970 -10.336   5.293
  142    HE2  LYS  18           HE2      LYS  18  -7.378 -11.893   6.214
  143    HE3  LYS  18           HE3      LYS  18  -6.536 -10.715   7.216
  144    HZ1  LYS  18           HZ1      LYS  18  -8.120 -10.264   4.780
  145    HZ2  LYS  18           HZ2      LYS  18  -6.927  -9.158   5.230
  146    HZ3  LYS  18           HZ3      LYS  18  -8.215  -9.479   6.270
  147    H    THR  19           H        THR  19  -3.468 -11.445   0.412
  148    HA   THR  19           HA       THR  19  -0.713 -11.769   0.747
  149    HB   THR  19           HB       THR  19  -2.105 -12.730  -1.134
  150    HG1  THR  19           HG1      THR  19   0.406 -12.234  -1.030
  151   HG21  THR  19          HG21      THR  19  -3.213 -10.645  -1.821
  152   HG22  THR  19          HG22      THR  19  -2.356 -11.400  -3.163
  153   HG23  THR  19          HG23      THR  19  -1.659 -10.001  -2.351
  154    H    GLN  20           H        GLN  20  -2.622  -9.029  -0.273
  155    HA   GLN  20           HA       GLN  20  -0.381  -7.405  -1.004
  156    HB2  GLN  20           HB2      GLN  20  -3.246  -6.628  -0.445
  157    HB3  GLN  20           HB3      GLN  20  -2.035  -5.599  -1.191
  158    HG2  GLN  20           HG2      GLN  20  -1.925  -7.055  -3.110
  159    HG3  GLN  20           HG3      GLN  20  -3.046  -8.185  -2.349
  160   HE21  GLN  20          HE21      GLN  20  -2.806  -5.733  -4.523
  161   HE22  GLN  20          HE22      GLN  20  -4.455  -5.217  -4.547
  162    H    ILE  21           H        ILE  21   0.626  -5.852   0.170
  163    HA   ILE  21           HA       ILE  21   0.375  -5.976   3.035
  164    HB   ILE  21           HB       ILE  21   2.048  -4.156   1.284
  165   HG12  ILE  21          HG12      ILE  21   2.802  -6.627   2.866
  166   HG13  ILE  21          HG13      ILE  21   2.635  -6.548   1.117
  167   HG21  ILE  21          HG21      ILE  21   3.309  -3.652   3.342
  168   HG22  ILE  21          HG22      ILE  21   2.134  -4.580   4.272
  169   HG23  ILE  21          HG23      ILE  21   1.635  -3.111   3.435
  170   HD11  ILE  21          HD11      ILE  21   4.903  -5.973   2.738
  171   HD12  ILE  21          HD12      ILE  21   4.446  -4.523   1.846
  172   HD13  ILE  21          HD13      ILE  21   4.773  -6.023   0.980
  173    H    TRP  22           H        TRP  22  -0.882  -4.689   4.259
  174    HA   TRP  22           HA       TRP  22  -2.615  -2.782   3.010
  175    HB2  TRP  22           HB2      TRP  22  -2.236  -3.680   5.860
  176    HB3  TRP  22           HB3      TRP  22  -3.329  -2.363   5.442
  177    HD1  TRP  22           HD1      TRP  22  -2.822  -5.900   3.895
  178    HE1  TRP  22           HE1      TRP  22  -5.145  -6.990   3.664
  179    HE3  TRP  22           HE3      TRP  22  -5.664  -2.155   5.886
  180    HZ2  TRP  22           HZ2      TRP  22  -7.831  -6.337   4.257
  181    HZ3  TRP  22           HZ3      TRP  22  -8.099  -2.456   6.010
  182    HH2  TRP  22           HH2      TRP  22  -9.160  -4.508   5.216
  183    H    ALA  23           H        ALA  23  -0.367  -1.774   2.324
  184    HA   ALA  23           HA       ALA  23   0.919  -0.066   4.164
  185    HB1  ALA  23           HB1      ALA  23   1.321   1.047   1.660
  186    HB2  ALA  23           HB2      ALA  23   1.092  -0.671   1.338
  187    HB3  ALA  23           HB3      ALA  23   2.349  -0.143   2.456
  188    H    THR  24           H        THR  24  -0.143   1.532   5.194
  189    HA   THR  24           HA       THR  24  -2.410   2.828   4.012
  190    HB   THR  24           HB       THR  24  -2.091   4.416   6.024
  191    HG1  THR  24           HG1      THR  24   0.219   3.369   6.172
  192   HG21  THR  24          HG21      THR  24  -2.947   2.710   7.617
  193   HG22  THR  24          HG22      THR  24  -2.548   1.460   6.439
  194   HG23  THR  24          HG23      THR  24  -3.765   2.677   6.056
  195    H    SER  25           H        SER  25  -2.060   4.102   2.292
  196    HA   SER  25           HA       SER  25   0.362   5.714   2.168
  197    HB2  SER  25           HB2      SER  25  -0.391   6.186  -0.163
  198    HB3  SER  25           HB3      SER  25  -0.166   4.471   0.172
  199    HG   SER  25           HG       SER  25  -2.706   5.509   0.628
  200    H    HIS  26           H        HIS  26   0.252   7.619   3.159
  201    HA   HIS  26           HA       HIS  26  -1.993   9.002   3.960
  202    HB2  HIS  26           HB2      HIS  26   0.328   9.482   4.711
  203    HB3  HIS  26           HB3      HIS  26   0.666  10.204   3.144
  204    HD1  HIS  26           HD1      HIS  26   1.225  12.246   4.954
  205    HD2  HIS  26           HD2      HIS  26  -2.759  11.347   4.200
  206    HE1  HIS  26           HE1      HIS  26  -0.073  14.268   5.681
  207    HE2  HIS  26           HE2      HIS  26  -2.484  13.609   5.416
  208    H    GLY  27           H        GLY  27  -0.206   9.190   0.930
  209    HA2  GLY  27           HA2      GLY  27  -1.660  11.362  -0.171
  210    HA3  GLY  27           HA3      GLY  27  -0.662  10.226  -1.064
  211    H    CYS  28           H        CYS  28  -3.295   9.035   0.880
  212    HA   CYS  28           HA       CYS  28  -5.155   9.058  -1.304
  213    HB2  CYS  28           HB2      CYS  28  -3.788   7.090  -1.893
  214    HB3  CYS  28           HB3      CYS  28  -4.145   6.388  -0.314
  215    H    LYS  29           H        LYS  29  -7.218   8.431  -0.756
  216    HA   LYS  29           HA       LYS  29  -8.031   9.090   1.854
  217    HB2  LYS  29           HB2      LYS  29 -10.279   8.396   1.039
  218    HB3  LYS  29           HB3      LYS  29  -9.454   9.499  -0.055
  219    HG2  LYS  29           HG2      LYS  29  -8.721   7.464  -1.359
  220    HG3  LYS  29           HG3      LYS  29  -9.840   6.537  -0.368
  221    HD2  LYS  29           HD2      LYS  29 -10.934   7.104  -2.423
  222    HD3  LYS  29           HD3      LYS  29 -11.668   8.043  -1.122
  223    HE2  LYS  29           HE2      LYS  29 -10.544  10.018  -1.784
  224    HE3  LYS  29           HE3      LYS  29  -9.463   9.130  -2.855
  225    HZ1  LYS  29           HZ1      LYS  29 -11.191  10.303  -4.072
  226    HZ2  LYS  29           HZ2      LYS  29 -12.385   9.438  -3.250
  227    HZ3  LYS  29           HZ3      LYS  29 -11.324   8.635  -4.288
  228    H    MET  30           H        MET  30  -7.903   5.973   0.145
  229    HA   MET  30           HA       MET  30  -8.479   4.584   2.665
  230    HB2  MET  30           HB2      MET  30  -8.542   3.619  -0.197
  231    HB3  MET  30           HB3      MET  30  -8.863   2.606   1.196
  232    HG2  MET  30           HG2      MET  30 -10.463   5.079   0.691
  233    HG3  MET  30           HG3      MET  30 -10.845   3.562  -0.112
  234    HE1  MET  30           HE1      MET  30  -9.873   4.004   4.021
  235    HE2  MET  30           HE2      MET  30 -11.436   4.799   4.196
  236    HE3  MET  30           HE3      MET  30 -10.253   5.427   3.051
  237    H    TYR  31           H        TYR  31  -7.335   2.072   1.848
  238    HA   TYR  31           HA       TYR  31  -4.585   2.586   2.599
  239    HB2  TYR  31           HB2      TYR  31  -6.012  -0.039   2.099
  240    HB3  TYR  31           HB3      TYR  31  -4.397   0.136   2.767
  241    HD1  TYR  31           HD1      TYR  31  -7.932   1.128   3.439
  242    HD2  TYR  31           HD2      TYR  31  -4.130   0.126   5.060
  243    HE1  TYR  31           HE1      TYR  31  -8.901   1.126   5.695
  244    HE2  TYR  31           HE2      TYR  31  -5.089   0.120   7.321
  245    HH   TYR  31           HH       TYR  31  -8.257  -0.080   7.975
  246    H    CYS  32           H        CYS  32  -2.811   1.494   1.483
  247    HA   CYS  32           HA       CYS  32  -3.204   1.521  -1.424
  248    HB2  CYS  32           HB2      CYS  32  -1.473   3.059  -0.606
  249    HB3  CYS  32           HB3      CYS  32  -0.651   1.729   0.192
  250    H    CYS  33           H        CYS  33  -3.113  -0.337  -2.481
  251    HA   CYS  33           HA       CYS  33  -2.344  -2.744  -1.004
  252    HB2  CYS  33           HB2      CYS  33  -3.882  -2.532  -3.598
  253    HB3  CYS  33           HB3      CYS  33  -3.695  -3.961  -2.591
  254    H    LEU  34           H        LEU  34  -0.617  -3.870  -1.560
  255    HA   LEU  34           HA       LEU  34   0.576  -3.518  -4.206
  256    HB2  LEU  34           HB2      LEU  34   2.053  -3.236  -1.587
  257    HB3  LEU  34           HB3      LEU  34   2.810  -3.288  -3.163
  258    HG   LEU  34           HG       LEU  34   0.753  -1.188  -2.647
  259   HD11  LEU  34          HD11      LEU  34   2.524  -1.361  -0.732
  260   HD12  LEU  34          HD12      LEU  34   2.135   0.203  -1.447
  261   HD13  LEU  34          HD13      LEU  34   3.596  -0.650  -1.936
  262   HD21  LEU  34          HD21      LEU  34   1.811  -0.069  -4.357
  263   HD22  LEU  34          HD22      LEU  34   2.036  -1.750  -4.840
  264   HD23  LEU  34          HD23      LEU  34   3.354  -0.872  -4.067
  265    HA   PRO  35           HA       PRO  35   0.889  -7.920  -4.066
  266    HB2  PRO  35           HB2      PRO  35   3.518  -7.596  -5.400
  267    HB3  PRO  35           HB3      PRO  35   2.095  -8.497  -5.927
  268    HG2  PRO  35           HG2      PRO  35   2.817  -6.169  -7.064
  269    HG3  PRO  35           HG3      PRO  35   1.121  -6.654  -6.897
  270    HD2  PRO  35           HD2      PRO  35   2.681  -4.643  -5.360
  271    HD3  PRO  35           HD3      PRO  35   0.958  -4.661  -5.778
  272    H    ALA  36           H        ALA  36   1.854  -9.446  -2.760
  273    HA   ALA  36           HA       ALA  36   3.285  -8.684  -0.523
  274    HB1  ALA  36           HB1      ALA  36   2.113 -10.978  -1.294
  275    HB2  ALA  36           HB2      ALA  36   3.227 -10.870   0.068
  276    HB3  ALA  36           HB3      ALA  36   3.807 -11.423  -1.503
  277    H    SER  37           H        SER  37   4.362  -9.411  -3.711
  278    HA   SER  37           HA       SER  37   7.082  -9.928  -3.229
  279    HB2  SER  37           HB2      SER  37   5.903 -10.440  -5.350
  280    HB3  SER  37           HB3      SER  37   5.787  -8.714  -5.684
  281    HG   SER  37           HG       SER  37   8.336  -9.543  -5.107
  282    H    TRP  38           H        TRP  38   5.249  -6.991  -3.439
  283    HA   TRP  38           HA       TRP  38   7.174  -5.095  -4.018
  284    HB2  TRP  38           HB2      TRP  38   4.813  -4.543  -3.872
  285    HB3  TRP  38           HB3      TRP  38   4.811  -4.904  -2.152
  286    HD1  TRP  38           HD1      TRP  38   6.697  -2.414  -4.483
  287    HE1  TRP  38           HE1      TRP  38   6.866  -0.165  -3.236
  288    HE3  TRP  38           HE3      TRP  38   4.480  -3.760  -0.088
  289    HZ2  TRP  38           HZ2      TRP  38   6.140   0.894  -0.701
  290    HZ3  TRP  38           HZ3      TRP  38   4.253  -2.084   1.694
  291    HH2  TRP  38           HH2      TRP  38   5.068   0.194   1.390
  292    H    LYS  39           H        LYS  39   8.663  -3.972  -2.860
  293    HA   LYS  39           HA       LYS  39   9.380  -5.088  -0.249
  294    HB2  LYS  39           HB2      LYS  39  10.996  -3.225  -1.996
  295    HB3  LYS  39           HB3      LYS  39  11.560  -4.094  -0.576
  296    HG2  LYS  39           HG2      LYS  39  10.835  -5.209  -3.265
  297    HG3  LYS  39           HG3      LYS  39  12.391  -5.266  -2.438
  298    HD2  LYS  39           HD2      LYS  39  11.435  -6.745  -0.739
  299    HD3  LYS  39           HD3      LYS  39   9.871  -6.674  -1.551
  300    HE2  LYS  39           HE2      LYS  39  11.035  -7.581  -3.598
  301    HE3  LYS  39           HE3      LYS  39  12.428  -7.887  -2.564
  302    HZ1  LYS  39           HZ1      LYS  39   9.723  -9.070  -2.327
  303    HZ2  LYS  39           HZ2      LYS  39  10.917  -9.235  -1.143
  304    HZ3  LYS  39           HZ3      LYS  39  11.167  -9.870  -2.686
  305    H    TRP  40           H        TRP  40   9.041  -3.989   1.554
  306    HA   TRP  40           HA       TRP  40   7.684  -1.504   1.463
  307    HB2  TRP  40           HB2      TRP  40   7.220  -3.256   3.141
  308    HB3  TRP  40           HB3      TRP  40   8.815  -3.004   3.833
  309    HD1  TRP  40           HD1      TRP  40   7.368  -2.525   6.121
  310    HE1  TRP  40           HE1      TRP  40   6.406  -0.320   7.016
  311    HE3  TRP  40           HE3      TRP  40   7.412   0.225   1.791
  312    HZ2  TRP  40           HZ2      TRP  40   5.747   2.228   6.034
  313    HZ3  TRP  40           HZ3      TRP  40   6.600   2.536   1.870
  314    HH2  TRP  40           HH2      TRP  40   5.788   3.519   3.947
  315    H    LYS  41           H        LYS  41   9.369  -0.951   4.107
  316    HA   LYS  41           HA       LYS  41  11.063   1.026   2.861
  317    HB2  LYS  41           HB2      LYS  41  10.502   0.352   5.754
  318    HB3  LYS  41           HB3      LYS  41  11.596   1.634   5.252
  319    HG2  LYS  41           HG2      LYS  41   9.833   2.865   4.249
  320    HG3  LYS  41           HG3      LYS  41   8.715   1.516   4.414
  321    HD2  LYS  41           HD2      LYS  41   8.218   3.151   6.104
  322    HD3  LYS  41           HD3      LYS  41   8.899   1.721   6.877
  323    HE2  LYS  41           HE2      LYS  41  11.049   2.807   7.075
  324    HE3  LYS  41           HE3      LYS  41  10.456   4.211   6.190
  325    HZ1  LYS  41           HZ1      LYS  41   9.515   3.284   8.849
  326    HZ2  LYS  41           HZ2      LYS  41   8.852   4.580   7.992
  327    HZ3  LYS  41           HZ3      LYS  41  10.446   4.657   8.538
  Start of MODEL    2
    1    H1   LEU   1           H1       LEU   1   5.071   0.814   9.111
    2    H2   LEU   1           H2       LEU   1   3.460   1.002   9.566
    3    H3   LEU   1           H3       LEU   1   4.293   2.290   8.863
    4    HA   LEU   1           HA       LEU   1   4.617   0.579   6.925
    5    HB2  LEU   1           HB2      LEU   1   3.419  -1.139   8.340
    6    HB3  LEU   1           HB3      LEU   1   1.957  -0.199   8.127
    7    HG   LEU   1           HG       LEU   1   2.154  -0.546   5.664
    8   HD11  LEU   1          HD11      LEU   1   4.184  -1.140   4.947
    9   HD12  LEU   1          HD12      LEU   1   3.693  -2.775   5.384
   10   HD13  LEU   1          HD13      LEU   1   4.649  -1.811   6.510
   11   HD21  LEU   1          HD21      LEU   1   0.996  -2.510   5.745
   12   HD22  LEU   1          HD22      LEU   1   0.947  -2.077   7.452
   13   HD23  LEU   1          HD23      LEU   1   2.123  -3.257   6.877
   14    H    VAL   2           H        VAL   2   4.397   3.222   7.081
   15    HA   VAL   2           HA       VAL   2   1.901   3.831   5.653
   16    HB   VAL   2           HB       VAL   2   1.976   6.104   6.500
   17   HG11  VAL   2          HG11      VAL   2   1.969   3.869   8.490
   18   HG12  VAL   2          HG12      VAL   2   0.613   4.787   7.838
   19   HG13  VAL   2          HG13      VAL   2   1.704   5.534   9.005
   20   HG21  VAL   2          HG21      VAL   2   3.599   6.467   8.494
   21   HG22  VAL   2          HG22      VAL   2   4.190   6.653   6.844
   22   HG23  VAL   2          HG23      VAL   2   4.527   5.173   7.738
   23    H    LEU   3           H        LEU   3   2.108   4.631   3.696
   24    HA   LEU   3           HA       LEU   3   4.768   5.175   2.631
   25    HB2  LEU   3           HB2      LEU   3   2.071   4.667   1.392
   26    HB3  LEU   3           HB3      LEU   3   3.427   5.237   0.449
   27    HG   LEU   3           HG       LEU   3   4.651   3.221   0.821
   28   HD11  LEU   3          HD11      LEU   3   3.744   1.386   2.198
   29   HD12  LEU   3          HD12      LEU   3   2.464   2.465   2.752
   30   HD13  LEU   3          HD13      LEU   3   4.146   2.817   3.144
   31   HD21  LEU   3          HD21      LEU   3   2.642   1.540   0.226
   32   HD22  LEU   3          HD22      LEU   3   3.349   2.668  -0.931
   33   HD23  LEU   3          HD23      LEU   3   1.853   3.087  -0.090
   34    H    LYS   4           H        LYS   4   5.025   7.003   1.136
   35    HA   LYS   4           HA       LYS   4   3.940   9.428   2.263
   36    HB2  LYS   4           HB2      LYS   4   5.849   8.852  -0.003
   37    HB3  LYS   4           HB3      LYS   4   5.240  10.473   0.288
   38    HG2  LYS   4           HG2      LYS   4   7.401  10.237   1.301
   39    HG3  LYS   4           HG3      LYS   4   6.183  10.392   2.562
   40    HD2  LYS   4           HD2      LYS   4   7.667   8.682   3.258
   41    HD3  LYS   4           HD3      LYS   4   6.193   7.881   2.722
   42    HE2  LYS   4           HE2      LYS   4   7.274   7.441   0.539
   43    HE3  LYS   4           HE3      LYS   4   8.757   8.161   1.160
   44    HZ1  LYS   4           HZ1      LYS   4   8.872   5.786   1.362
   45    HZ2  LYS   4           HZ2      LYS   4   7.410   5.732   2.201
   46    HZ3  LYS   4           HZ3      LYS   4   8.760   6.449   2.908
   47    H    TYR   5           H        TYR   5   3.517   7.412  -0.509
   48    HA   TYR   5           HA       TYR   5   0.934   8.521  -1.102
   49    HB2  TYR   5           HB2      TYR   5   1.425   9.076  -3.435
   50    HB3  TYR   5           HB3      TYR   5   2.407  10.054  -2.356
   51    HD1  TYR   5           HD1      TYR   5   2.440   7.286  -4.774
   52    HD2  TYR   5           HD2      TYR   5   4.816   9.805  -2.297
   53    HE1  TYR   5           HE1      TYR   5   4.458   6.540  -5.963
   54    HE2  TYR   5           HE2      TYR   5   6.839   9.070  -3.485
   55    HH   TYR   5           HH       TYR   5   6.955   7.809  -6.319
   56    H    CYS   6           H        CYS   6  -0.260   7.130  -2.513
   57    HA   CYS   6           HA       CYS   6   0.485   4.392  -2.240
   58    HB2  CYS   6           HB2      CYS   6  -1.878   5.293  -2.176
   59    HB3  CYS   6           HB3      CYS   6  -1.772   5.486  -3.922
   60    HA   PRO   7           HA       PRO   7   2.846   4.349  -6.068
   61    HB2  PRO   7           HB2      PRO   7   3.132   1.481  -5.552
   62    HB3  PRO   7           HB3      PRO   7   4.374   2.730  -5.627
   63    HG2  PRO   7           HG2      PRO   7   3.661   1.532  -3.318
   64    HG3  PRO   7           HG3      PRO   7   4.205   3.217  -3.390
   65    HD2  PRO   7           HD2      PRO   7   1.426   2.128  -3.170
   66    HD3  PRO   7           HD3      PRO   7   2.157   3.529  -2.361
   67    H    LYS   8           H        LYS   8   2.180   4.019  -8.096
   68    HA   LYS   8           HA       LYS   8  -0.360   3.071  -8.702
   69    HB2  LYS   8           HB2      LYS   8   0.265   3.264 -11.032
   70    HB3  LYS   8           HB3      LYS   8   0.898   4.627 -10.124
   71    HG2  LYS   8           HG2      LYS   8   2.651   4.063 -11.513
   72    HG3  LYS   8           HG3      LYS   8   3.072   3.260 -10.002
   73    HD2  LYS   8           HD2      LYS   8   2.351   1.143 -10.838
   74    HD3  LYS   8           HD3      LYS   8   1.624   1.887 -12.259
   75    HE2  LYS   8           HE2      LYS   8   4.565   1.811 -11.599
   76    HE3  LYS   8           HE3      LYS   8   3.748   0.808 -12.795
   77    HZ1  LYS   8           HZ1      LYS   8   4.745   2.583 -13.949
   78    HZ2  LYS   8           HZ2      LYS   8   4.150   3.740 -12.872
   79    HZ3  LYS   8           HZ3      LYS   8   3.094   2.929 -13.913
   80    H    ILE   9           H        ILE   9   2.591   1.339  -8.286
   81    HA   ILE   9           HA       ILE   9   2.069  -0.924  -9.858
   82    HB   ILE   9           HB       ILE   9   4.267  -0.585  -8.874
   83   HG12  ILE   9          HG12      ILE   9   4.696  -2.858  -8.036
   84   HG13  ILE   9          HG13      ILE   9   2.971  -3.102  -7.791
   85   HG21  ILE   9          HG21      ILE   9   4.528   0.045  -6.765
   86   HG22  ILE   9          HG22      ILE   9   3.893  -1.504  -6.212
   87   HG23  ILE   9          HG23      ILE   9   2.798  -0.152  -6.490
   88   HD11  ILE   9          HD11      ILE   9   2.570  -3.021 -10.149
   89   HD12  ILE   9          HD12      ILE   9   3.870  -4.169  -9.832
   90   HD13  ILE   9          HD13      ILE   9   4.244  -2.566 -10.462
   91    H    GLY  10           H        GLY  10   0.906   0.051  -6.720
   92    HA2  GLY  10           HA2      GLY  10  -0.402  -2.535  -6.303
   93    HA3  GLY  10           HA3      GLY  10  -0.287  -1.225  -5.143
   94    H    TYR  11           H        TYR  11  -2.418  -1.201  -4.647
   95    HA   TYR  11           HA       TYR  11  -4.154   0.240  -6.456
   96    HB2  TYR  11           HB2      TYR  11  -5.090  -2.387  -5.276
   97    HB3  TYR  11           HB3      TYR  11  -5.981  -1.334  -6.362
   98    HD1  TYR  11           HD1      TYR  11  -2.960  -3.496  -6.192
   99    HD2  TYR  11           HD2      TYR  11  -5.916  -1.690  -8.654
  100    HE1  TYR  11           HE1      TYR  11  -2.157  -4.814  -8.105
  101    HE2  TYR  11           HE2      TYR  11  -5.124  -3.002 -10.580
  102    HH   TYR  11           HH       TYR  11  -2.759  -4.149 -11.189
  103    H    CYS  12           H        CYS  12  -5.367   1.649  -5.247
  104    HA   CYS  12           HA       CYS  12  -5.193   1.352  -2.337
  105    HB2  CYS  12           HB2      CYS  12  -4.477   3.500  -3.310
  106    HB3  CYS  12           HB3      CYS  12  -6.082   3.722  -3.991
  107    H    SER  13           H        SER  13  -6.895   0.726  -1.147
  108    HA   SER  13           HA       SER  13  -9.597   1.254  -2.051
  109    HB2  SER  13           HB2      SER  13 -10.134  -1.270  -1.684
  110    HB3  SER  13           HB3      SER  13  -9.425  -0.761  -3.215
  111    HG   SER  13           HG       SER  13  -7.504  -1.320  -1.384
  112    H    ASN  14           H        ASN  14 -11.232   0.511  -0.457
  113    HA   ASN  14           HA       ASN  14 -10.787   1.536   2.066
  114    HB2  ASN  14           HB2      ASN  14 -12.917   0.751   2.650
  115    HB3  ASN  14           HB3      ASN  14 -13.009   0.917   0.900
  116   HD21  ASN  14          HD21      ASN  14 -13.930  -0.995   3.312
  117   HD22  ASN  14          HD22      ASN  14 -13.958  -2.527   2.510
  118    H    THR  15           H        THR  15 -10.250  -1.686   0.870
  119    HA   THR  15           HA       THR  15  -8.801  -2.356   3.303
  120    HB   THR  15           HB       THR  15  -9.915  -4.616   3.366
  121    HG1  THR  15           HG1      THR  15 -11.918  -3.310   1.804
  122   HG21  THR  15          HG21      THR  15 -10.465  -2.802   4.964
  123   HG22  THR  15          HG22      THR  15 -11.829  -3.872   4.645
  124   HG23  THR  15          HG23      THR  15 -11.759  -2.283   3.886
  125    H    CYS  16           H        CYS  16  -7.235  -4.006   2.960
  126    HA   CYS  16           HA       CYS  16  -6.692  -4.487   0.114
  127    HB2  CYS  16           HB2      CYS  16  -4.818  -4.270   2.467
  128    HB3  CYS  16           HB3      CYS  16  -4.315  -4.747   0.849
  129    H    SER  17           H        SER  17  -6.140  -6.457  -0.633
  130    HA   SER  17           HA       SER  17  -7.185  -8.727   0.638
  131    HB2  SER  17           HB2      SER  17  -5.926  -9.970  -1.182
  132    HB3  SER  17           HB3      SER  17  -7.015  -8.711  -1.758
  133    HG   SER  17           HG       SER  17  -5.233  -7.344  -2.010
  134    H    LYS  18           H        LYS  18  -6.168 -10.439   1.694
  135    HA   LYS  18           HA       LYS  18  -4.178  -9.910   3.491
  136    HB2  LYS  18           HB2      LYS  18  -4.779 -12.577   2.208
  137    HB3  LYS  18           HB3      LYS  18  -3.897 -12.349   3.712
  138    HG2  LYS  18           HG2      LYS  18  -5.847 -11.455   4.788
  139    HG3  LYS  18           HG3      LYS  18  -6.739 -11.469   3.270
  140    HD2  LYS  18           HD2      LYS  18  -5.645 -13.930   4.622
  141    HD3  LYS  18           HD3      LYS  18  -7.301 -13.349   4.803
  142    HE2  LYS  18           HE2      LYS  18  -5.986 -14.169   2.215
  143    HE3  LYS  18           HE3      LYS  18  -7.146 -15.126   3.129
  144    HZ1  LYS  18           HZ1      LYS  18  -8.263 -12.599   2.677
  145    HZ2  LYS  18           HZ2      LYS  18  -8.771 -14.092   2.068
  146    HZ3  LYS  18           HZ3      LYS  18  -7.659 -13.164   1.203
  147    H    THR  19           H        THR  19  -3.839 -11.061   0.201
  148    HA   THR  19           HA       THR  19  -1.082 -11.620   0.299
  149    HB   THR  19           HB       THR  19  -2.709 -10.743  -2.095
  150    HG1  THR  19           HG1      THR  19  -2.222 -13.335  -0.983
  151   HG21  THR  19          HG21      THR  19  -0.519 -10.657  -2.824
  152   HG22  THR  19          HG22      THR  19  -0.934 -12.334  -3.176
  153   HG23  THR  19          HG23      THR  19   0.005 -11.940  -1.735
  154    H    GLN  20           H        GLN  20  -2.893  -8.672  -0.368
  155    HA   GLN  20           HA       GLN  20  -0.485  -7.199  -1.018
  156    HB2  GLN  20           HB2      GLN  20  -3.375  -6.363  -0.832
  157    HB3  GLN  20           HB3      GLN  20  -2.064  -5.267  -1.242
  158    HG2  GLN  20           HG2      GLN  20  -1.572  -6.524  -3.235
  159    HG3  GLN  20           HG3      GLN  20  -2.777  -7.738  -2.802
  160   HE21  GLN  20          HE21      GLN  20  -2.245  -5.177  -4.743
  161   HE22  GLN  20          HE22      GLN  20  -3.873  -4.644  -4.978
  162    H    ILE  21           H        ILE  21   0.515  -5.718   0.218
  163    HA   ILE  21           HA       ILE  21   0.201  -5.818   3.043
  164    HB   ILE  21           HB       ILE  21   1.740  -3.821   1.369
  165   HG12  ILE  21          HG12      ILE  21   2.706  -6.375   2.677
  166   HG13  ILE  21          HG13      ILE  21   2.422  -6.165   0.952
  167   HG21  ILE  21          HG21      ILE  21   3.113  -3.607   3.477
  168   HG22  ILE  21          HG22      ILE  21   1.821  -4.478   4.304
  169   HG23  ILE  21          HG23      ILE  21   1.490  -2.922   3.543
  170   HD11  ILE  21          HD11      ILE  21   4.710  -5.426   2.565
  171   HD12  ILE  21          HD12      ILE  21   4.122  -4.092   1.576
  172   HD13  ILE  21          HD13      ILE  21   4.568  -5.621   0.819
  173    H    TRP  22           H        TRP  22  -0.983  -4.527   4.365
  174    HA   TRP  22           HA       TRP  22  -2.810  -2.625   3.205
  175    HB2  TRP  22           HB2      TRP  22  -2.299  -3.520   6.042
  176    HB3  TRP  22           HB3      TRP  22  -3.461  -2.261   5.642
  177    HD1  TRP  22           HD1      TRP  22  -2.849  -5.846   4.232
  178    HE1  TRP  22           HE1      TRP  22  -5.140  -7.022   4.087
  179    HE3  TRP  22           HE3      TRP  22  -5.796  -2.090   6.043
  180    HZ2  TRP  22           HZ2      TRP  22  -7.835  -6.419   4.670
  181    HZ3  TRP  22           HZ3      TRP  22  -8.221  -2.464   6.212
  182    HH2  TRP  22           HH2      TRP  22  -9.218  -4.587   5.540
  183    H    ALA  23           H        ALA  23  -0.459  -1.697   2.520
  184    HA   ALA  23           HA       ALA  23   0.813   0.017   4.375
  185    HB1  ALA  23           HB1      ALA  23   1.261   1.012   1.783
  186    HB2  ALA  23           HB2      ALA  23   1.136  -0.739   1.629
  187    HB3  ALA  23           HB3      ALA  23   2.312  -0.034   2.737
  188    H    THR  24           H        THR  24   0.064   1.850   5.199
  189    HA   THR  24           HA       THR  24  -2.232   3.145   3.995
  190    HB   THR  24           HB       THR  24  -0.649   4.017   6.419
  191    HG1  THR  24           HG1      THR  24  -2.526   1.983   6.033
  192   HG21  THR  24          HG21      THR  24  -2.831   5.057   7.052
  193   HG22  THR  24          HG22      THR  24  -3.448   4.625   5.458
  194   HG23  THR  24          HG23      THR  24  -2.106   5.758   5.606
  195    H    SER  25           H        SER  25  -1.825   4.398   2.280
  196    HA   SER  25           HA       SER  25   0.690   5.813   2.050
  197    HB2  SER  25           HB2      SER  25  -0.257   6.524  -0.166
  198    HB3  SER  25           HB3      SER  25  -0.099   4.781   0.041
  199    HG   SER  25           HG       SER  25  -2.510   5.663   0.906
  200    H    HIS  26           H        HIS  26   0.991   7.885   2.506
  201    HA   HIS  26           HA       HIS  26  -1.081   9.430   3.722
  202    HB2  HIS  26           HB2      HIS  26   1.780  10.092   2.995
  203    HB3  HIS  26           HB3      HIS  26   0.712  11.191   3.861
  204    HD1  HIS  26           HD1      HIS  26  -0.442   9.696   6.072
  205    HD2  HIS  26           HD2      HIS  26   3.424   8.915   4.771
  206    HE1  HIS  26           HE1      HIS  26   0.703   8.574   8.002
  207    HE2  HIS  26           HE2      HIS  26   3.097   8.337   7.271
  208    H    GLY  27           H        GLY  27  -1.831   8.799   1.115
  209    HA2  GLY  27           HA2      GLY  27  -2.364  11.419   0.098
  210    HA3  GLY  27           HA3      GLY  27  -1.229  10.539  -0.912
  211    H    CYS  28           H        CYS  28  -3.748   8.834   0.807
  212    HA   CYS  28           HA       CYS  28  -5.473   8.856  -1.530
  213    HB2  CYS  28           HB2      CYS  28  -3.893   6.964  -1.928
  214    HB3  CYS  28           HB3      CYS  28  -4.479   6.219  -0.441
  215    H    LYS  29           H        LYS  29  -7.563   8.330  -1.138
  216    HA   LYS  29           HA       LYS  29  -8.657   8.979   1.301
  217    HB2  LYS  29           HB2      LYS  29 -10.754   7.893   0.380
  218    HB3  LYS  29           HB3      LYS  29 -10.016   9.132  -0.624
  219    HG2  LYS  29           HG2      LYS  29  -9.037   7.438  -2.051
  220    HG3  LYS  29           HG3      LYS  29  -9.663   6.162  -1.008
  221    HD2  LYS  29           HD2      LYS  29 -11.939   6.812  -1.533
  222    HD3  LYS  29           HD3      LYS  29 -11.355   8.159  -2.511
  223    HE2  LYS  29           HE2      LYS  29 -10.849   5.234  -3.055
  224    HE3  LYS  29           HE3      LYS  29 -12.045   6.234  -3.873
  225    HZ1  LYS  29           HZ1      LYS  29 -10.289   6.305  -5.323
  226    HZ2  LYS  29           HZ2      LYS  29  -9.117   6.284  -4.106
  227    HZ3  LYS  29           HZ3      LYS  29  -9.990   7.696  -4.412
  228    H    MET  30           H        MET  30  -8.197   5.699  -0.018
  229    HA   MET  30           HA       MET  30  -8.863   4.631   2.641
  230    HB2  MET  30           HB2      MET  30  -8.836   3.248  -0.048
  231    HB3  MET  30           HB3      MET  30  -9.281   2.506   1.480
  232    HG2  MET  30           HG2      MET  30 -10.718   4.819   0.214
  233    HG3  MET  30           HG3      MET  30 -11.223   3.133   0.122
  234    HE1  MET  30           HE1      MET  30 -13.099   5.633   1.327
  235    HE2  MET  30           HE2      MET  30 -13.904   4.607   2.515
  236    HE3  MET  30           HE3      MET  30 -13.541   3.976   0.908
  237    H    TYR  31           H        TYR  31  -7.656   2.020   1.906
  238    HA   TYR  31           HA       TYR  31  -4.960   2.605   2.794
  239    HB2  TYR  31           HB2      TYR  31  -6.329  -0.042   2.260
  240    HB3  TYR  31           HB3      TYR  31  -4.734   0.149   2.967
  241    HD1  TYR  31           HD1      TYR  31  -8.263   1.243   3.570
  242    HD2  TYR  31           HD2      TYR  31  -4.549   0.017   5.244
  243    HE1  TYR  31           HE1      TYR  31  -9.277   1.243   5.808
  244    HE2  TYR  31           HE2      TYR  31  -5.557   0.013   7.485
  245    HH   TYR  31           HH       TYR  31  -8.106  -0.288   8.356
  246    H    CYS  32           H        CYS  32  -3.090   1.733   1.731
  247    HA   CYS  32           HA       CYS  32  -3.451   1.540  -1.175
  248    HB2  CYS  32           HB2      CYS  32  -1.865   3.289  -0.281
  249    HB3  CYS  32           HB3      CYS  32  -0.861   1.981   0.330
  250    H    CYS  33           H        CYS  33  -3.351  -0.404  -2.006
  251    HA   CYS  33           HA       CYS  33  -2.261  -2.592  -0.399
  252    HB2  CYS  33           HB2      CYS  33  -3.936  -2.840  -2.897
  253    HB3  CYS  33           HB3      CYS  33  -3.696  -4.030  -1.622
  254    H    LEU  34           H        LEU  34  -0.509  -3.687  -1.029
  255    HA   LEU  34           HA       LEU  34   0.444  -3.406  -3.781
  256    HB2  LEU  34           HB2      LEU  34   2.066  -2.866  -1.298
  257    HB3  LEU  34           HB3      LEU  34   2.756  -3.053  -2.894
  258    HG   LEU  34           HG       LEU  34   0.654  -0.972  -2.421
  259   HD11  LEU  34          HD11      LEU  34   2.653  -0.893  -0.732
  260   HD12  LEU  34          HD12      LEU  34   2.108   0.571  -1.548
  261   HD13  LEU  34          HD13      LEU  34   3.535  -0.282  -2.128
  262   HD21  LEU  34          HD21      LEU  34   1.762  -1.774  -4.670
  263   HD22  LEU  34          HD22      LEU  34   3.043  -0.679  -4.156
  264   HD23  LEU  34          HD23      LEU  34   1.402  -0.072  -4.378
  265    HA   PRO  35           HA       PRO  35   1.012  -7.766  -3.659
  266    HB2  PRO  35           HB2      PRO  35   3.640  -7.211  -4.951
  267    HB3  PRO  35           HB3      PRO  35   2.341  -8.291  -5.465
  268    HG2  PRO  35           HG2      PRO  35   2.776  -5.927  -6.662
  269    HG3  PRO  35           HG3      PRO  35   1.151  -6.602  -6.470
  270    HD2  PRO  35           HD2      PRO  35   2.446  -4.354  -5.040
  271    HD3  PRO  35           HD3      PRO  35   0.728  -4.641  -5.377
  272    H    ALA  36           H        ALA  36   1.940  -9.191  -2.250
  273    HA   ALA  36           HA       ALA  36   3.366  -8.360  -0.036
  274    HB1  ALA  36           HB1      ALA  36   4.042 -10.830   0.128
  275    HB2  ALA  36           HB2      ALA  36   3.103 -11.052  -1.347
  276    HB3  ALA  36           HB3      ALA  36   2.319 -10.458   0.115
  277    H    SER  37           H        SER  37   4.473  -9.444  -3.159
  278    HA   SER  37           HA       SER  37   7.214  -9.724  -2.567
  279    HB2  SER  37           HB2      SER  37   5.939 -10.591  -4.604
  280    HB3  SER  37           HB3      SER  37   6.083  -8.962  -5.260
  281    HG   SER  37           HG       SER  37   7.847 -10.902  -5.399
  282    H    TRP  38           H        TRP  38   5.229  -6.956  -3.225
  283    HA   TRP  38           HA       TRP  38   7.015  -5.084  -4.168
  284    HB2  TRP  38           HB2      TRP  38   4.649  -4.577  -3.871
  285    HB3  TRP  38           HB3      TRP  38   4.823  -4.706  -2.126
  286    HD1  TRP  38           HD1      TRP  38   6.309  -2.486  -4.960
  287    HE1  TRP  38           HE1      TRP  38   6.561  -0.097  -4.019
  288    HE3  TRP  38           HE3      TRP  38   4.777  -3.343  -0.170
  289    HZ2  TRP  38           HZ2      TRP  38   6.151   1.238  -1.556
  290    HZ3  TRP  38           HZ3      TRP  38   4.734  -1.466   1.418
  291    HH2  TRP  38           HH2      TRP  38   5.411   0.777   0.735
  292    H    LYS  39           H        LYS  39   8.730  -4.054  -3.367
  293    HA   LYS  39           HA       LYS  39   9.745  -4.850  -0.795
  294    HB2  LYS  39           HB2      LYS  39  10.835  -3.019  -2.931
  295    HB3  LYS  39           HB3      LYS  39  11.665  -3.335  -1.417
  296    HG2  LYS  39           HG2      LYS  39  10.899  -5.472  -3.388
  297    HG3  LYS  39           HG3      LYS  39  12.472  -4.679  -3.352
  298    HD2  LYS  39           HD2      LYS  39  11.346  -6.037  -0.921
  299    HD3  LYS  39           HD3      LYS  39  12.213  -6.944  -2.159
  300    HE2  LYS  39           HE2      LYS  39  13.746  -6.348  -0.409
  301    HE3  LYS  39           HE3      LYS  39  14.144  -5.426  -1.855
  302    HZ1  LYS  39           HZ1      LYS  39  13.566  -3.483  -0.883
  303    HZ2  LYS  39           HZ2      LYS  39  13.959  -4.329   0.527
  304    HZ3  LYS  39           HZ3      LYS  39  12.346  -4.169   0.064
  305    H    TRP  40           H        TRP  40   9.210  -3.919   1.006
  306    HA   TRP  40           HA       TRP  40   8.140  -1.227   0.993
  307    HB2  TRP  40           HB2      TRP  40   6.950  -2.986   2.247
  308    HB3  TRP  40           HB3      TRP  40   8.380  -3.251   3.232
  309    HD1  TRP  40           HD1      TRP  40   7.024  -2.681   5.439
  310    HE1  TRP  40           HE1      TRP  40   6.283  -0.457   6.491
  311    HE3  TRP  40           HE3      TRP  40   7.660   0.405   1.394
  312    HZ2  TRP  40           HZ2      TRP  40   5.997   2.231   5.718
  313    HZ3  TRP  40           HZ3      TRP  40   7.130   2.786   1.647
  314    HH2  TRP  40           HH2      TRP  40   6.318   3.682   3.764
  315    H    LYS  41           H        LYS  41   9.316  -1.340   3.973
  316    HA   LYS  41           HA       LYS  41  11.551   0.326   3.365
  317    HB2  LYS  41           HB2      LYS  41  10.982  -0.920   6.048
  318    HB3  LYS  41           HB3      LYS  41  11.783   0.610   5.707
  319    HG2  LYS  41           HG2      LYS  41   9.577   1.388   4.743
  320    HG3  LYS  41           HG3      LYS  41   8.873  -0.055   5.462
  321    HD2  LYS  41           HD2      LYS  41  10.261   2.193   6.899
  322    HD3  LYS  41           HD3      LYS  41   8.543   1.811   6.932
  323    HE2  LYS  41           HE2      LYS  41   9.347   0.945   8.942
  324    HE3  LYS  41           HE3      LYS  41   9.263  -0.459   7.884
  325    HZ1  LYS  41           HZ1      LYS  41  11.357  -0.077   9.293
  326    HZ2  LYS  41           HZ2      LYS  41  11.763   1.079   8.131
  327    HZ3  LYS  41           HZ3      LYS  41  11.550  -0.533   7.680
  Start of MODEL    3
    1    H1   LEU   1           H1       LEU   1   2.911   1.570   9.862
    2    H2   LEU   1           H2       LEU   1   3.797   2.871   9.258
    3    H3   LEU   1           H3       LEU   1   4.577   1.417   9.619
    4    HA   LEU   1           HA       LEU   1   4.406   1.118   7.412
    5    HB2  LEU   1           HB2      LEU   1   3.014  -0.568   8.655
    6    HB3  LEU   1           HB3      LEU   1   1.602   0.396   8.273
    7    HG   LEU   1           HG       LEU   1   2.076   0.036   5.849
    8   HD11  LEU   1          HD11      LEU   1   4.248  -0.501   5.505
    9   HD12  LEU   1          HD12      LEU   1   3.582  -2.130   5.584
   10   HD13  LEU   1          HD13      LEU   1   4.374  -1.433   6.997
   11   HD21  LEU   1          HD21      LEU   1   0.414  -1.319   6.915
   12   HD22  LEU   1          HD22      LEU   1   1.645  -2.392   7.578
   13   HD23  LEU   1          HD23      LEU   1   1.360  -2.343   5.838
   14    H    VAL   2           H        VAL   2   4.167   3.790   7.574
   15    HA   VAL   2           HA       VAL   2   1.832   4.483   5.940
   16    HB   VAL   2           HB       VAL   2   1.990   5.754   8.024
   17   HG11  VAL   2          HG11      VAL   2   4.665   5.673   7.661
   18   HG12  VAL   2          HG12      VAL   2   3.844   6.775   8.764
   19   HG13  VAL   2          HG13      VAL   2   4.310   7.322   7.153
   20   HG21  VAL   2          HG21      VAL   2   1.791   7.993   7.064
   21   HG22  VAL   2          HG22      VAL   2   0.972   6.797   6.059
   22   HG23  VAL   2          HG23      VAL   2   2.544   7.429   5.573
   23    H    LEU   3           H        LEU   3   2.132   4.920   3.880
   24    HA   LEU   3           HA       LEU   3   4.839   5.251   2.830
   25    HB2  LEU   3           HB2      LEU   3   2.178   4.628   1.574
   26    HB3  LEU   3           HB3      LEU   3   3.586   5.022   0.620
   27    HG   LEU   3           HG       LEU   3   4.719   3.037   1.328
   28   HD11  LEU   3          HD11      LEU   3   2.383   2.587   3.180
   29   HD12  LEU   3          HD12      LEU   3   4.034   2.975   3.655
   30   HD13  LEU   3          HD13      LEU   3   3.684   1.437   2.873
   31   HD21  LEU   3          HD21      LEU   3   2.859   1.320   0.717
   32   HD22  LEU   3          HD22      LEU   3   3.378   2.514  -0.474
   33   HD23  LEU   3          HD23      LEU   3   1.884   2.766   0.433
   34    H    LYS   4           H        LYS   4   5.495   7.079   1.753
   35    HA   LYS   4           HA       LYS   4   4.149   9.517   2.219
   36    HB2  LYS   4           HB2      LYS   4   6.310   8.799   0.230
   37    HB3  LYS   4           HB3      LYS   4   5.708  10.431   0.450
   38    HG2  LYS   4           HG2      LYS   4   7.746  10.209   1.649
   39    HG3  LYS   4           HG3      LYS   4   6.431  10.308   2.820
   40    HD2  LYS   4           HD2      LYS   4   6.488   7.950   3.189
   41    HD3  LYS   4           HD3      LYS   4   7.643   7.722   1.872
   42    HE2  LYS   4           HE2      LYS   4   8.131   9.210   4.444
   43    HE3  LYS   4           HE3      LYS   4   8.766   7.622   4.023
   44    HZ1  LYS   4           HZ1      LYS   4  10.331   9.529   3.715
   45    HZ2  LYS   4           HZ2      LYS   4   9.351  10.058   2.444
   46    HZ3  LYS   4           HZ3      LYS   4  10.116   8.558   2.351
   47    H    TYR   5           H        TYR   5   4.233   7.196  -0.351
   48    HA   TYR   5           HA       TYR   5   1.811   8.245  -1.535
   49    HB2  TYR   5           HB2      TYR   5   3.016   8.230  -3.830
   50    HB3  TYR   5           HB3      TYR   5   3.285   9.608  -2.764
   51    HD1  TYR   5           HD1      TYR   5   5.409   9.907  -1.622
   52    HD2  TYR   5           HD2      TYR   5   4.800   6.620  -4.255
   53    HE1  TYR   5           HE1      TYR   5   7.828   9.474  -1.623
   54    HE2  TYR   5           HE2      TYR   5   7.221   6.189  -4.277
   55    HH   TYR   5           HH       TYR   5   9.326   7.440  -2.047
   56    H    CYS   6           H        CYS   6   0.670   6.697  -2.588
   57    HA   CYS   6           HA       CYS   6   1.458   3.966  -2.227
   58    HB2  CYS   6           HB2      CYS   6  -0.877   4.682  -1.954
   59    HB3  CYS   6           HB3      CYS   6  -0.935   5.169  -3.637
   60    HA   PRO   7           HA       PRO   7   3.628   3.636  -6.131
   61    HB2  PRO   7           HB2      PRO   7   3.009   0.749  -5.792
   62    HB3  PRO   7           HB3      PRO   7   4.567   1.541  -6.050
   63    HG2  PRO   7           HG2      PRO   7   3.914   0.566  -3.660
   64    HG3  PRO   7           HG3      PRO   7   4.807   2.088  -3.809
   65    HD2  PRO   7           HD2      PRO   7   1.911   1.643  -3.207
   66    HD3  PRO   7           HD3      PRO   7   3.034   2.841  -2.529
   67    H    LYS   8           H        LYS   8   2.889   3.703  -8.191
   68    HA   LYS   8           HA       LYS   8   0.225   3.726  -8.834
   69    HB2  LYS   8           HB2      LYS   8   1.901   4.682 -10.295
   70    HB3  LYS   8           HB3      LYS   8   2.562   3.089 -10.628
   71    HG2  LYS   8           HG2      LYS   8   1.285   3.734 -12.514
   72    HG3  LYS   8           HG3      LYS   8   0.375   2.483 -11.674
   73    HD2  LYS   8           HD2      LYS   8  -0.231   5.279 -10.919
   74    HD3  LYS   8           HD3      LYS   8  -0.703   4.793 -12.545
   75    HE2  LYS   8           HE2      LYS   8  -2.597   4.207 -11.427
   76    HE3  LYS   8           HE3      LYS   8  -1.693   2.710 -11.241
   77    HZ1  LYS   8           HZ1      LYS   8  -1.574   2.984  -9.044
   78    HZ2  LYS   8           HZ2      LYS   8  -2.801   4.130  -9.232
   79    HZ3  LYS   8           HZ3      LYS   8  -1.190   4.627  -9.156
   80    H    ILE   9           H        ILE   9   2.446   1.012  -8.918
   81    HA   ILE   9           HA       ILE   9   0.814  -0.830 -10.257
   82    HB   ILE   9           HB       ILE   9   3.170  -1.289  -9.860
   83   HG12  ILE   9          HG12      ILE   9   1.383  -3.295  -8.461
   84   HG13  ILE   9          HG13      ILE   9   1.664  -3.202 -10.196
   85   HG21  ILE   9          HG21      ILE   9   2.528  -1.719  -6.951
   86   HG22  ILE   9          HG22      ILE   9   3.202  -0.217  -7.582
   87   HG23  ILE   9          HG23      ILE   9   4.112  -1.719  -7.727
   88   HD11  ILE   9          HD11      ILE   9   4.200  -3.389  -9.080
   89   HD12  ILE   9          HD12      ILE   9   3.297  -4.659  -9.903
   90   HD13  ILE   9          HD13      ILE   9   3.204  -4.508  -8.149
   91    H    GLY  10           H        GLY  10   0.958   0.178  -6.908
   92    HA2  GLY  10           HA2      GLY  10  -0.763  -1.848  -5.889
   93    HA3  GLY  10           HA3      GLY  10  -0.326  -0.349  -5.083
   94    H    TYR  11           H        TYR  11  -2.751  -1.038  -4.590
   95    HA   TYR  11           HA       TYR  11  -4.384   0.796  -6.192
   96    HB2  TYR  11           HB2      TYR  11  -5.394  -1.894  -5.248
   97    HB3  TYR  11           HB3      TYR  11  -6.246  -0.729  -6.256
   98    HD1  TYR  11           HD1      TYR  11  -3.270  -2.955  -6.204
   99    HD2  TYR  11           HD2      TYR  11  -6.101  -0.848  -8.576
  100    HE1  TYR  11           HE1      TYR  11  -2.388  -4.053  -8.218
  101    HE2  TYR  11           HE2      TYR  11  -5.229  -1.946 -10.594
  102    HH   TYR  11           HH       TYR  11  -2.501  -3.175 -10.983
  103    H    CYS  12           H        CYS  12  -5.515   2.163  -4.924
  104    HA   CYS  12           HA       CYS  12  -5.392   1.681  -2.050
  105    HB2  CYS  12           HB2      CYS  12  -6.082   4.173  -3.610
  106    HB3  CYS  12           HB3      CYS  12  -6.062   4.072  -1.853
  107    H    SER  13           H        SER  13  -7.039   0.894  -0.987
  108    HA   SER  13           HA       SER  13  -9.761   1.630  -1.668
  109    HB2  SER  13           HB2      SER  13  -9.246  -0.344  -3.118
  110    HB3  SER  13           HB3      SER  13  -8.912  -1.284  -1.665
  111    HG   SER  13           HG       SER  13 -10.976  -1.721  -1.852
  112    H    ASN  14           H        ASN  14 -11.302   0.449  -0.080
  113    HA   ASN  14           HA       ASN  14 -10.523   1.123   2.541
  114    HB2  ASN  14           HB2      ASN  14 -12.862   1.171   1.836
  115    HB3  ASN  14           HB3      ASN  14 -12.848  -0.576   1.630
  116   HD21  ASN  14          HD21      ASN  14 -13.465   1.951   3.733
  117   HD22  ASN  14          HD22      ASN  14 -13.623   1.038   5.192
  118    H    THR  15           H        THR  15 -10.303  -1.832   0.747
  119    HA   THR  15           HA       THR  15  -8.853  -3.019   2.978
  120    HB   THR  15           HB       THR  15 -10.027  -5.191   2.690
  121    HG1  THR  15           HG1      THR  15 -11.686  -3.592   1.020
  122   HG21  THR  15          HG21      THR  15 -11.797  -4.683   4.128
  123   HG22  THR  15          HG22      THR  15 -12.055  -3.098   3.402
  124   HG23  THR  15          HG23      THR  15 -10.642  -3.386   4.416
  125    H    CYS  16           H        CYS  16  -7.249  -4.419   2.371
  126    HA   CYS  16           HA       CYS  16  -6.761  -4.631  -0.518
  127    HB2  CYS  16           HB2      CYS  16  -4.844  -4.517   1.811
  128    HB3  CYS  16           HB3      CYS  16  -4.352  -4.886   0.160
  129    H    SER  17           H        SER  17  -6.128  -6.566  -1.414
  130    HA   SER  17           HA       SER  17  -7.186  -8.906  -0.396
  131    HB2  SER  17           HB2      SER  17  -6.400  -8.427  -2.782
  132    HB3  SER  17           HB3      SER  17  -4.782  -8.828  -2.220
  133    HG   SER  17           HG       SER  17  -6.819 -10.471  -2.892
  134    H    LYS  18           H        LYS  18  -6.327 -10.636   0.766
  135    HA   LYS  18           HA       LYS  18  -4.593 -10.108   2.833
  136    HB2  LYS  18           HB2      LYS  18  -5.017 -12.797   1.520
  137    HB3  LYS  18           HB3      LYS  18  -4.375 -12.530   3.131
  138    HG2  LYS  18           HG2      LYS  18  -7.166 -11.936   2.175
  139    HG3  LYS  18           HG3      LYS  18  -6.671 -13.205   3.289
  140    HD2  LYS  18           HD2      LYS  18  -7.415 -11.643   4.784
  141    HD3  LYS  18           HD3      LYS  18  -5.726 -11.159   4.666
  142    HE2  LYS  18           HE2      LYS  18  -7.154  -9.209   4.549
  143    HE3  LYS  18           HE3      LYS  18  -6.360  -9.451   3.001
  144    HZ1  LYS  18           HZ1      LYS  18  -9.177  -9.692   3.700
  145    HZ2  LYS  18           HZ2      LYS  18  -8.584 -10.781   2.555
  146    HZ3  LYS  18           HZ3      LYS  18  -8.462  -9.120   2.281
  147    H    THR  19           H        THR  19  -3.883 -11.322  -0.379
  148    HA   THR  19           HA       THR  19  -1.074 -11.665   0.128
  149    HB   THR  19           HB       THR  19  -2.259 -13.042  -1.546
  150    HG1  THR  19           HG1      THR  19  -0.195 -11.360  -2.593
  151   HG21  THR  19          HG21      THR  19  -2.269 -10.941  -3.600
  152   HG22  THR  19          HG22      THR  19  -3.480 -10.741  -2.334
  153   HG23  THR  19          HG23      THR  19  -3.434 -12.224  -3.284
  154    H    GLN  20           H        GLN  20  -2.175  -9.017   0.695
  155    HA   GLN  20           HA       GLN  20  -0.267  -7.467  -0.854
  156    HB2  GLN  20           HB2      GLN  20  -3.175  -6.657  -0.640
  157    HB3  GLN  20           HB3      GLN  20  -1.892  -5.686  -1.343
  158    HG2  GLN  20           HG2      GLN  20  -1.588  -7.339  -3.103
  159    HG3  GLN  20           HG3      GLN  20  -2.850  -8.340  -2.389
  160   HE21  GLN  20          HE21      GLN  20  -2.309  -6.395  -4.869
  161   HE22  GLN  20          HE22      GLN  20  -3.873  -5.685  -5.085
  162    H    ILE  21           H        ILE  21   0.654  -5.852   0.315
  163    HA   ILE  21           HA       ILE  21   0.222  -5.828   3.143
  164    HB   ILE  21           HB       ILE  21   1.899  -3.978   1.429
  165   HG12  ILE  21          HG12      ILE  21   2.705  -6.408   3.049
  166   HG13  ILE  21          HG13      ILE  21   2.542  -6.373   1.298
  167   HG21  ILE  21          HG21      ILE  21   1.981  -4.429   4.414
  168   HG22  ILE  21          HG22      ILE  21   1.340  -2.997   3.611
  169   HG23  ILE  21          HG23      ILE  21   3.055  -3.379   3.490
  170   HD11  ILE  21          HD11      ILE  21   4.633  -5.690   1.107
  171   HD12  ILE  21          HD12      ILE  21   4.804  -5.762   2.861
  172   HD13  ILE  21          HD13      ILE  21   4.283  -4.266   2.086
  173    H    TRP  22           H        TRP  22  -1.183  -4.628   4.253
  174    HA   TRP  22           HA       TRP  22  -2.818  -2.660   2.932
  175    HB2  TRP  22           HB2      TRP  22  -2.705  -3.577   5.813
  176    HB3  TRP  22           HB3      TRP  22  -3.877  -2.422   5.192
  177    HD1  TRP  22           HD1      TRP  22  -2.773  -5.876   3.789
  178    HE1  TRP  22           HE1      TRP  22  -4.898  -7.278   3.400
  179    HE3  TRP  22           HE3      TRP  22  -6.243  -2.562   5.527
  180    HZ2  TRP  22           HZ2      TRP  22  -7.685  -7.007   3.796
  181    HZ3  TRP  22           HZ3      TRP  22  -8.614  -3.203   5.486
  182    HH2  TRP  22           HH2      TRP  22  -9.320  -5.381   4.640
  183    H    ALA  23           H        ALA  23  -0.449  -1.656   2.591
  184    HA   ALA  23           HA       ALA  23   0.529  -0.045   4.728
  185    HB1  ALA  23           HB1      ALA  23   1.384  -0.786   2.133
  186    HB2  ALA  23           HB2      ALA  23   2.299   0.035   3.396
  187    HB3  ALA  23           HB3      ALA  23   1.385   0.975   2.216
  188    H    THR  24           H        THR  24  -0.107   1.927   5.369
  189    HA   THR  24           HA       THR  24  -2.299   3.202   3.970
  190    HB   THR  24           HB       THR  24  -0.841   4.084   6.468
  191    HG1  THR  24           HG1      THR  24  -3.334   2.712   6.224
  192   HG21  THR  24          HG21      THR  24  -3.332   5.030   5.084
  193   HG22  THR  24          HG22      THR  24  -1.978   5.977   5.701
  194   HG23  THR  24          HG23      THR  24  -3.126   5.244   6.822
  195    H    SER  25           H        SER  25  -1.804   4.382   2.244
  196    HA   SER  25           HA       SER  25   0.721   5.842   2.135
  197    HB2  SER  25           HB2      SER  25  -0.018   6.266  -0.256
  198    HB3  SER  25           HB3      SER  25   0.280   4.581   0.170
  199    HG   SER  25           HG       SER  25  -2.280   5.279   0.690
  200    H    HIS  26           H        HIS  26   0.862   8.033   2.172
  201    HA   HIS  26           HA       HIS  26  -1.141   9.594   3.288
  202    HB2  HIS  26           HB2      HIS  26   1.130  10.348   3.402
  203    HB3  HIS  26           HB3      HIS  26   1.273  10.370   1.650
  204    HD1  HIS  26           HD1      HIS  26  -0.605  12.169   0.523
  205    HD2  HIS  26           HD2      HIS  26   0.742  12.823   4.401
  206    HE1  HIS  26           HE1      HIS  26  -1.093  14.583   1.011
  207    HE2  HIS  26           HE2      HIS  26  -0.395  14.918   3.405
  208    H    GLY  27           H        GLY  27  -0.252   9.166  -0.116
  209    HA2  GLY  27           HA2      GLY  27  -2.231  11.043  -1.026
  210    HA3  GLY  27           HA3      GLY  27  -1.243  10.007  -2.032
  211    H    CYS  28           H        CYS  28  -3.284   8.805   0.558
  212    HA   CYS  28           HA       CYS  28  -5.426   8.120  -1.245
  213    HB2  CYS  28           HB2      CYS  28  -3.626   5.999  -0.094
  214    HB3  CYS  28           HB3      CYS  28  -5.259   5.656  -0.644
  215    H    LYS  29           H        LYS  29  -7.305   7.754  -0.225
  216    HA   LYS  29           HA       LYS  29  -7.641   8.706   2.394
  217    HB2  LYS  29           HB2      LYS  29  -9.594   6.943   0.933
  218    HB3  LYS  29           HB3      LYS  29  -9.947   8.201   2.101
  219    HG2  LYS  29           HG2      LYS  29  -9.557   9.903   0.558
  220    HG3  LYS  29           HG3      LYS  29  -8.671   8.837  -0.534
  221    HD2  LYS  29           HD2      LYS  29 -10.760   7.580  -0.955
  222    HD3  LYS  29           HD3      LYS  29 -11.626   8.729   0.070
  223    HE2  LYS  29           HE2      LYS  29 -11.100  10.538  -1.436
  224    HE3  LYS  29           HE3      LYS  29 -10.098   9.475  -2.420
  225    HZ1  LYS  29           HZ1      LYS  29 -12.925   9.858  -2.466
  226    HZ2  LYS  29           HZ2      LYS  29 -12.519   8.227  -2.316
  227    HZ3  LYS  29           HZ3      LYS  29 -11.923   9.126  -3.610
  228    H    MET  30           H        MET  30  -8.450   5.479   1.183
  229    HA   MET  30           HA       MET  30  -8.412   4.346   3.814
  230    HB2  MET  30           HB2      MET  30  -8.722   2.999   1.129
  231    HB3  MET  30           HB3      MET  30  -9.042   2.266   2.694
  232    HG2  MET  30           HG2      MET  30 -11.129   2.873   1.766
  233    HG3  MET  30           HG3      MET  30 -10.786   4.014   3.062
  234    HE1  MET  30           HE1      MET  30 -10.618   4.859  -1.447
  235    HE2  MET  30           HE2      MET  30 -10.574   3.283  -0.657
  236    HE3  MET  30           HE3      MET  30  -9.132   4.297  -0.682
  237    H    TYR  31           H        TYR  31  -7.321   1.836   2.119
  238    HA   TYR  31           HA       TYR  31  -4.551   2.234   3.019
  239    HB2  TYR  31           HB2      TYR  31  -5.943  -0.358   2.313
  240    HB3  TYR  31           HB3      TYR  31  -4.346  -0.186   3.025
  241    HD1  TYR  31           HD1      TYR  31  -7.961   0.297   3.668
  242    HD2  TYR  31           HD2      TYR  31  -4.075  -0.086   5.351
  243    HE1  TYR  31           HE1      TYR  31  -8.960   0.041   5.896
  244    HE2  TYR  31           HE2      TYR  31  -5.061  -0.350   7.582
  245    HH   TYR  31           HH       TYR  31  -8.495   0.097   8.144
  246    H    CYS  32           H        CYS  32  -2.859   1.346   1.724
  247    HA   CYS  32           HA       CYS  32  -3.410   1.462  -1.159
  248    HB2  CYS  32           HB2      CYS  32  -1.703   3.046  -0.536
  249    HB3  CYS  32           HB3      CYS  32  -0.854   1.849   0.425
  250    H    CYS  33           H        CYS  33  -3.232  -0.394  -2.279
  251    HA   CYS  33           HA       CYS  33  -2.430  -2.778  -0.787
  252    HB2  CYS  33           HB2      CYS  33  -3.910  -2.625  -3.418
  253    HB3  CYS  33           HB3      CYS  33  -3.760  -4.021  -2.356
  254    H    LEU  34           H        LEU  34  -0.701  -3.922  -1.316
  255    HA   LEU  34           HA       LEU  34   0.538  -3.607  -3.936
  256    HB2  LEU  34           HB2      LEU  34   1.966  -3.129  -1.324
  257    HB3  LEU  34           HB3      LEU  34   2.755  -3.252  -2.880
  258    HG   LEU  34           HG       LEU  34   0.662  -1.165  -2.326
  259   HD11  LEU  34          HD11      LEU  34   2.257   0.347  -1.578
  260   HD12  LEU  34          HD12      LEU  34   3.599  -0.639  -2.150
  261   HD13  LEU  34          HD13      LEU  34   2.686  -1.137  -0.728
  262   HD21  LEU  34          HD21      LEU  34   1.329  -1.781  -4.662
  263   HD22  LEU  34          HD22      LEU  34   2.948  -1.205  -4.275
  264   HD23  LEU  34          HD23      LEU  34   1.581  -0.090  -4.232
  265    HA   PRO  35           HA       PRO  35   1.003  -7.989  -3.607
  266    HB2  PRO  35           HB2      PRO  35   3.579  -7.586  -5.022
  267    HB3  PRO  35           HB3      PRO  35   2.201  -8.595  -5.464
  268    HG2  PRO  35           HG2      PRO  35   2.738  -6.293  -6.734
  269    HG3  PRO  35           HG3      PRO  35   1.079  -6.860  -6.472
  270    HD2  PRO  35           HD2      PRO  35   2.585  -4.694  -5.101
  271    HD3  PRO  35           HD3      PRO  35   0.851  -4.823  -5.450
  272    H    ALA  36           H        ALA  36   2.052  -9.432  -2.295
  273    HA   ALA  36           HA       ALA  36   3.455  -8.593  -0.083
  274    HB1  ALA  36           HB1      ALA  36   3.632 -11.300  -1.403
  275    HB2  ALA  36           HB2      ALA  36   2.394 -10.785  -0.257
  276    HB3  ALA  36           HB3      ALA  36   4.073 -10.930   0.264
  277    H    SER  37           H        SER  37   4.685  -9.449  -3.238
  278    HA   SER  37           HA       SER  37   7.411  -9.691  -2.592
  279    HB2  SER  37           HB2      SER  37   6.461 -10.508  -4.702
  280    HB3  SER  37           HB3      SER  37   6.121  -8.854  -5.201
  281    HG   SER  37           HG       SER  37   8.383 -10.263  -5.470
  282    H    TRP  38           H        TRP  38   5.381  -6.919  -3.127
  283    HA   TRP  38           HA       TRP  38   7.143  -4.949  -3.848
  284    HB2  TRP  38           HB2      TRP  38   4.766  -4.510  -3.621
  285    HB3  TRP  38           HB3      TRP  38   4.858  -4.761  -1.881
  286    HD1  TRP  38           HD1      TRP  38   6.470  -2.347  -4.470
  287    HE1  TRP  38           HE1      TRP  38   6.664  -0.027  -3.364
  288    HE3  TRP  38           HE3      TRP  38   4.641  -3.505   0.154
  289    HZ2  TRP  38           HZ2      TRP  38   6.109   1.149  -0.854
  290    HZ3  TRP  38           HZ3      TRP  38   4.506  -1.730   1.853
  291    HH2  TRP  38           HH2      TRP  38   5.226   0.548   1.355
  292    H    LYS  39           H        LYS  39   8.716  -3.790  -2.898
  293    HA   LYS  39           HA       LYS  39   9.691  -4.684  -0.318
  294    HB2  LYS  39           HB2      LYS  39  10.782  -2.931  -2.495
  295    HB3  LYS  39           HB3      LYS  39  11.493  -2.873  -0.888
  296    HG2  LYS  39           HG2      LYS  39  12.556  -4.422  -2.613
  297    HG3  LYS  39           HG3      LYS  39  12.239  -5.076  -1.007
  298    HD2  LYS  39           HD2      LYS  39  10.210  -6.135  -1.811
  299    HD3  LYS  39           HD3      LYS  39  10.448  -5.428  -3.409
  300    HE2  LYS  39           HE2      LYS  39  11.158  -7.755  -3.382
  301    HE3  LYS  39           HE3      LYS  39  12.537  -6.690  -3.648
  302    HZ1  LYS  39           HZ1      LYS  39  13.087  -8.404  -2.070
  303    HZ2  LYS  39           HZ2      LYS  39  11.784  -7.976  -1.083
  304    HZ3  LYS  39           HZ3      LYS  39  13.071  -6.908  -1.286
  305    H    TRP  40           H        TRP  40   9.233  -3.749   1.512
  306    HA   TRP  40           HA       TRP  40   7.743  -1.282   1.537
  307    HB2  TRP  40           HB2      TRP  40   7.022  -3.107   2.980
  308    HB3  TRP  40           HB3      TRP  40   8.585  -3.120   3.786
  309    HD1  TRP  40           HD1      TRP  40   7.136  -2.750   6.072
  310    HE1  TRP  40           HE1      TRP  40   6.321  -0.579   7.181
  311    HE3  TRP  40           HE3      TRP  40   7.519   0.425   2.064
  312    HZ2  TRP  40           HZ2      TRP  40   5.888   2.104   6.457
  313    HZ3  TRP  40           HZ3      TRP  40   6.887   2.775   2.369
  314    HH2  TRP  40           HH2      TRP  40   6.091   3.598   4.522
  315    H    LYS  41           H        LYS  41   9.400  -1.313   4.388
  316    HA   LYS  41           HA       LYS  41  11.424   0.561   3.357
  317    HB2  LYS  41           HB2      LYS  41  11.268   1.757   5.477
  318    HB3  LYS  41           HB3      LYS  41   9.697   1.678   4.698
  319    HG2  LYS  41           HG2      LYS  41   9.144  -0.249   6.193
  320    HG3  LYS  41           HG3      LYS  41  10.655   0.061   7.049
  321    HD2  LYS  41           HD2      LYS  41   8.400   2.040   6.708
  322    HD3  LYS  41           HD3      LYS  41   8.716   1.098   8.163
  323    HE2  LYS  41           HE2      LYS  41  10.840   2.194   8.467
  324    HE3  LYS  41           HE3      LYS  41  10.668   3.040   6.931
  325    HZ1  LYS  41           HZ1      LYS  41   8.833   3.383   9.236
  326    HZ2  LYS  41           HZ2      LYS  41   8.839   4.277   7.801
  327    HZ3  LYS  41           HZ3      LYS  41  10.125   4.412   8.887
  Start of MODEL    4
    1    H1   LEU   1           H1       LEU   1   4.483   1.751   8.987
    2    H2   LEU   1           H2       LEU   1   3.945   0.186   9.299
    3    H3   LEU   1           H3       LEU   1   2.845   1.465   9.283
    4    HA   LEU   1           HA       LEU   1   4.431   0.683   6.922
    5    HB2  LEU   1           HB2      LEU   1   3.024  -1.180   7.776
    6    HB3  LEU   1           HB3      LEU   1   1.618  -0.145   7.658
    7    HG   LEU   1           HG       LEU   1   1.950  -0.011   5.211
    8   HD11  LEU   1          HD11      LEU   1   3.474  -1.736   4.199
    9   HD12  LEU   1          HD12      LEU   1   4.207  -1.899   5.795
   10   HD13  LEU   1          HD13      LEU   1   4.268  -0.353   4.950
   11   HD21  LEU   1          HD21      LEU   1   0.511  -1.745   6.352
   12   HD22  LEU   1          HD22      LEU   1   1.838  -2.879   6.109
   13   HD23  LEU   1          HD23      LEU   1   1.043  -2.139   4.719
   14    H    VAL   2           H        VAL   2   4.306   3.250   7.492
   15    HA   VAL   2           HA       VAL   2   1.975   4.407   6.144
   16    HB   VAL   2           HB       VAL   2   4.153   5.751   7.753
   17   HG11  VAL   2          HG11      VAL   2   1.691   6.866   6.419
   18   HG12  VAL   2          HG12      VAL   2   3.372   7.295   6.105
   19   HG13  VAL   2          HG13      VAL   2   2.624   7.728   7.641
   20   HG21  VAL   2          HG21      VAL   2   2.283   6.165   9.360
   21   HG22  VAL   2          HG22      VAL   2   2.748   4.472   9.203
   22   HG23  VAL   2          HG23      VAL   2   1.291   5.064   8.404
   23    H    LEU   3           H        LEU   3   2.171   5.614   4.303
   24    HA   LEU   3           HA       LEU   3   4.832   5.745   3.039
   25    HB2  LEU   3           HB2      LEU   3   2.219   5.201   1.640
   26    HB3  LEU   3           HB3      LEU   3   3.800   5.248   0.904
   27    HG   LEU   3           HG       LEU   3   2.982   3.209   2.966
   28   HD11  LEU   3          HD11      LEU   3   2.819   1.678   1.011
   29   HD12  LEU   3          HD12      LEU   3   2.942   3.086  -0.042
   30   HD13  LEU   3          HD13      LEU   3   1.570   2.925   1.055
   31   HD21  LEU   3          HD21      LEU   3   5.265   3.221   1.000
   32   HD22  LEU   3          HD22      LEU   3   4.949   2.032   2.263
   33   HD23  LEU   3          HD23      LEU   3   5.410   3.679   2.696
   34    H    LYS   4           H        LYS   4   5.072   7.411   1.444
   35    HA   LYS   4           HA       LYS   4   3.975   9.924   2.191
   36    HB2  LYS   4           HB2      LYS   4   5.340   9.222  -0.371
   37    HB3  LYS   4           HB3      LYS   4   5.184  10.820   0.311
   38    HG2  LYS   4           HG2      LYS   4   6.745   8.584   1.566
   39    HG3  LYS   4           HG3      LYS   4   7.437   9.820   0.519
   40    HD2  LYS   4           HD2      LYS   4   6.528  11.533   2.124
   41    HD3  LYS   4           HD3      LYS   4   6.145  10.194   3.211
   42    HE2  LYS   4           HE2      LYS   4   8.877  10.855   2.124
   43    HE3  LYS   4           HE3      LYS   4   8.306  11.226   3.752
   44    HZ1  LYS   4           HZ1      LYS   4   8.497   8.490   2.626
   45    HZ2  LYS   4           HZ2      LYS   4   8.111   8.900   4.218
   46    HZ3  LYS   4           HZ3      LYS   4   9.663   9.191   3.624
   47    H    TYR   5           H        TYR   5   3.456   7.637  -0.369
   48    HA   TYR   5           HA       TYR   5   0.776   8.527  -0.865
   49    HB2  TYR   5           HB2      TYR   5   1.305   8.931  -3.339
   50    HB3  TYR   5           HB3      TYR   5   1.787  10.199  -2.215
   51    HD1  TYR   5           HD1      TYR   5   3.068   7.296  -4.145
   52    HD2  TYR   5           HD2      TYR   5   4.038  10.863  -2.036
   53    HE1  TYR   5           HE1      TYR   5   5.386   7.134  -4.945
   54    HE2  TYR   5           HE2      TYR   5   6.360  10.711  -2.827
   55    HH   TYR   5           HH       TYR   5   7.493   7.912  -4.656
   56    H    CYS   6           H        CYS   6  -0.276   7.107  -2.459
   57    HA   CYS   6           HA       CYS   6   0.518   4.411  -2.062
   58    HB2  CYS   6           HB2      CYS   6  -1.851   5.221  -2.294
   59    HB3  CYS   6           HB3      CYS   6  -1.542   5.470  -4.007
   60    HA   PRO   7           HA       PRO   7   3.530   4.379  -5.396
   61    HB2  PRO   7           HB2      PRO   7   3.201   1.448  -4.968
   62    HB3  PRO   7           HB3      PRO   7   4.679   2.413  -5.052
   63    HG2  PRO   7           HG2      PRO   7   3.777   1.527  -2.712
   64    HG3  PRO   7           HG3      PRO   7   4.481   3.149  -2.860
   65    HD2  PRO   7           HD2      PRO   7   1.614   2.337  -2.643
   66    HD3  PRO   7           HD3      PRO   7   2.445   3.745  -1.952
   67    H    LYS   8           H        LYS   8   3.174   4.376  -7.516
   68    HA   LYS   8           HA       LYS   8   0.790   4.065  -8.750
   69    HB2  LYS   8           HB2      LYS   8   2.747   5.052  -9.820
   70    HB3  LYS   8           HB3      LYS   8   3.508   3.472  -9.924
   71    HG2  LYS   8           HG2      LYS   8   1.922   2.726 -11.532
   72    HG3  LYS   8           HG3      LYS   8   0.914   4.152 -11.287
   73    HD2  LYS   8           HD2      LYS   8   2.218   4.333 -13.349
   74    HD3  LYS   8           HD3      LYS   8   2.690   5.570 -12.184
   75    HE2  LYS   8           HE2      LYS   8   4.583   4.082 -11.501
   76    HE3  LYS   8           HE3      LYS   8   4.154   3.017 -12.836
   77    HZ1  LYS   8           HZ1      LYS   8   5.198   5.776 -12.952
   78    HZ2  LYS   8           HZ2      LYS   8   4.408   5.078 -14.272
   79    HZ3  LYS   8           HZ3      LYS   8   5.823   4.383 -13.669
   80    H    ILE   9           H        ILE   9   3.188   1.522  -8.237
   81    HA   ILE   9           HA       ILE   9   1.898  -0.499  -9.703
   82    HB   ILE   9           HB       ILE   9   4.211  -0.734  -8.958
   83   HG12  ILE   9          HG12      ILE   9   2.393  -2.857  -7.793
   84   HG13  ILE   9          HG13      ILE   9   2.937  -2.771  -9.465
   85   HG21  ILE   9          HG21      ILE   9   3.340  -1.354  -6.174
   86   HG22  ILE   9          HG22      ILE   9   3.592   0.324  -6.649
   87   HG23  ILE   9          HG23      ILE   9   4.915  -0.834  -6.772
   88   HD11  ILE   9          HD11      ILE   9   4.511  -4.198  -8.783
   89   HD12  ILE   9          HD12      ILE   9   4.303  -3.775  -7.085
   90   HD13  ILE   9          HD13      ILE   9   5.302  -2.765  -8.130
   91    H    GLY  10           H        GLY  10   1.599   0.525  -6.348
   92    HA2  GLY  10           HA2      GLY  10  -0.222  -1.574  -5.643
   93    HA3  GLY  10           HA3      GLY  10   0.211  -0.189  -4.658
   94    H    TYR  11           H        TYR  11  -2.366  -1.510  -5.331
   95    HA   TYR  11           HA       TYR  11  -3.806   0.800  -6.440
   96    HB2  TYR  11           HB2      TYR  11  -5.644  -1.278  -6.241
   97    HB3  TYR  11           HB3      TYR  11  -4.834  -0.745  -7.708
   98    HD1  TYR  11           HD1      TYR  11  -3.768  -2.743  -4.752
   99    HD2  TYR  11           HD2      TYR  11  -4.142  -2.538  -8.969
  100    HE1  TYR  11           HE1      TYR  11  -2.670  -4.939  -4.942
  101    HE2  TYR  11           HE2      TYR  11  -3.055  -4.732  -9.185
  102    HH   TYR  11           HH       TYR  11  -1.569  -6.167  -7.949
  103    H    CYS  12           H        CYS  12  -5.138   1.886  -5.162
  104    HA   CYS  12           HA       CYS  12  -5.212   1.149  -2.349
  105    HB2  CYS  12           HB2      CYS  12  -4.470   3.364  -2.777
  106    HB3  CYS  12           HB3      CYS  12  -5.822   3.684  -3.852
  107    H    SER  13           H        SER  13  -6.989   0.645  -1.214
  108    HA   SER  13           HA       SER  13  -9.639   1.086  -2.292
  109    HB2  SER  13           HB2      SER  13  -8.684  -1.729  -1.720
  110    HB3  SER  13           HB3      SER  13 -10.282  -1.251  -2.293
  111    HG   SER  13           HG       SER  13  -8.908  -0.239  -4.096
  112    H    ASN  14           H        ASN  14 -11.319   0.135  -0.718
  113    HA   ASN  14           HA       ASN  14 -10.926   1.245   1.813
  114    HB2  ASN  14           HB2      ASN  14 -13.044   0.295   2.438
  115    HB3  ASN  14           HB3      ASN  14 -13.154   0.809   0.760
  116   HD21  ASN  14          HD21      ASN  14 -14.147  -0.578  -0.516
  117   HD22  ASN  14          HD22      ASN  14 -14.204  -2.294  -0.307
  118    H    THR  15           H        THR  15 -10.335  -1.970   0.608
  119    HA   THR  15           HA       THR  15  -8.791  -2.584   2.972
  120    HB   THR  15           HB       THR  15  -9.866  -4.827   3.261
  121    HG1  THR  15           HG1      THR  15 -11.790  -3.662   1.517
  122   HG21  THR  15          HG21      THR  15 -10.374  -2.713   4.639
  123   HG22  THR  15          HG22      THR  15 -11.492  -4.069   4.762
  124   HG23  THR  15          HG23      THR  15 -11.902  -2.677   3.762
  125    H    CYS  16           H        CYS  16  -7.278  -4.265   2.612
  126    HA   CYS  16           HA       CYS  16  -6.871  -4.838  -0.240
  127    HB2  CYS  16           HB2      CYS  16  -4.843  -4.823   1.996
  128    HB3  CYS  16           HB3      CYS  16  -4.505  -5.003   0.280
  129    H    SER  17           H        SER  17  -6.634  -6.851  -0.966
  130    HA   SER  17           HA       SER  17  -7.543  -9.056   0.501
  131    HB2  SER  17           HB2      SER  17  -5.760  -9.146  -1.948
  132    HB3  SER  17           HB3      SER  17  -6.926 -10.363  -1.428
  133    HG   SER  17           HG       SER  17  -8.591  -8.881  -1.860
  134    H    LYS  18           H        LYS  18  -6.409 -10.777   1.482
  135    HA   LYS  18           HA       LYS  18  -4.236 -10.254   3.028
  136    HB2  LYS  18           HB2      LYS  18  -4.924 -12.913   1.763
  137    HB3  LYS  18           HB3      LYS  18  -3.813 -12.701   3.107
  138    HG2  LYS  18           HG2      LYS  18  -5.628 -11.834   4.483
  139    HG3  LYS  18           HG3      LYS  18  -6.745 -12.019   3.132
  140    HD2  LYS  18           HD2      LYS  18  -6.940 -13.885   4.696
  141    HD3  LYS  18           HD3      LYS  18  -6.354 -14.429   3.125
  142    HE2  LYS  18           HE2      LYS  18  -5.144 -15.472   4.997
  143    HE3  LYS  18           HE3      LYS  18  -4.087 -14.520   3.961
  144    HZ1  LYS  18           HZ1      LYS  18  -5.120 -12.916   6.050
  145    HZ2  LYS  18           HZ2      LYS  18  -3.511 -13.274   5.678
  146    HZ3  LYS  18           HZ3      LYS  18  -4.390 -14.296   6.694
  147    H    THR  19           H        THR  19  -4.206 -11.471  -0.275
  148    HA   THR  19           HA       THR  19  -1.366 -11.754  -0.417
  149    HB   THR  19           HB       THR  19  -2.924 -13.066  -1.834
  150    HG1  THR  19           HG1      THR  19  -0.922 -11.447  -3.022
  151   HG21  THR  19          HG21      THR  19  -4.261 -12.167  -3.481
  152   HG22  THR  19          HG22      THR  19  -3.285 -10.705  -3.627
  153   HG23  THR  19          HG23      THR  19  -4.365 -10.911  -2.249
  154    H    GLN  20           H        GLN  20  -2.402  -9.111   0.428
  155    HA   GLN  20           HA       GLN  20  -0.740  -7.501  -1.303
  156    HB2  GLN  20           HB2      GLN  20  -3.664  -6.816  -0.910
  157    HB3  GLN  20           HB3      GLN  20  -2.472  -5.790  -1.696
  158    HG2  GLN  20           HG2      GLN  20  -2.169  -7.478  -3.440
  159    HG3  GLN  20           HG3      GLN  20  -3.365  -8.503  -2.653
  160   HE21  GLN  20          HE21      GLN  20  -4.468  -5.495  -2.160
  161   HE22  GLN  20          HE22      GLN  20  -5.479  -5.305  -3.544
  162    H    ILE  21           H        ILE  21   0.248  -5.913  -0.194
  163    HA   ILE  21           HA       ILE  21   0.018  -5.874   2.647
  164    HB   ILE  21           HB       ILE  21   1.584  -4.068   0.797
  165   HG12  ILE  21          HG12      ILE  21   2.479  -6.466   2.414
  166   HG13  ILE  21          HG13      ILE  21   2.167  -6.485   0.683
  167   HG21  ILE  21          HG21      ILE  21   1.941  -2.803   2.599
  168   HG22  ILE  21          HG22      ILE  21   2.870  -4.148   3.257
  169   HG23  ILE  21          HG23      ILE  21   1.165  -3.973   3.663
  170   HD11  ILE  21          HD11      ILE  21   4.140  -5.558   0.197
  171   HD12  ILE  21          HD12      ILE  21   4.590  -6.099   1.814
  172   HD13  ILE  21          HD13      ILE  21   4.068  -4.434   1.554
  173    H    TRP  22           H        TRP  22  -1.223  -4.639   3.894
  174    HA   TRP  22           HA       TRP  22  -2.992  -2.663   2.772
  175    HB2  TRP  22           HB2      TRP  22  -2.498  -3.586   5.613
  176    HB3  TRP  22           HB3      TRP  22  -3.692  -2.368   5.184
  177    HD1  TRP  22           HD1      TRP  22  -2.973  -5.918   3.739
  178    HE1  TRP  22           HE1      TRP  22  -5.223  -7.175   3.632
  179    HE3  TRP  22           HE3      TRP  22  -6.007  -2.311   5.702
  180    HZ2  TRP  22           HZ2      TRP  22  -7.922  -6.693   4.307
  181    HZ3  TRP  22           HZ3      TRP  22  -8.406  -2.781   5.937
  182    HH2  TRP  22           HH2      TRP  22  -9.343  -4.931   5.258
  183    H    ALA  23           H        ALA  23  -0.781  -1.607   2.062
  184    HA   ALA  23           HA       ALA  23   0.595  -0.098   4.031
  185    HB1  ALA  23           HB1      ALA  23   1.215  -0.889   1.546
  186    HB2  ALA  23           HB2      ALA  23   2.043   0.416   2.393
  187    HB3  ALA  23           HB3      ALA  23   0.768   0.787   1.232
  188    H    THR  24           H        THR  24   0.157   1.819   4.885
  189    HA   THR  24           HA       THR  24  -2.151   3.310   3.925
  190    HB   THR  24           HB       THR  24  -0.306   3.798   6.284
  191    HG1  THR  24           HG1      THR  24  -1.664   1.971   6.534
  192   HG21  THR  24          HG21      THR  24  -2.278   5.504   5.020
  193   HG22  THR  24          HG22      THR  24  -1.144   5.870   6.319
  194   HG23  THR  24          HG23      THR  24  -2.709   5.153   6.691
  195    H    SER  25           H        SER  25  -1.975   5.153   2.688
  196    HA   SER  25           HA       SER  25   0.725   6.269   2.374
  197    HB2  SER  25           HB2      SER  25   0.242   6.561  -0.044
  198    HB3  SER  25           HB3      SER  25   0.331   4.875   0.452
  199    HG   SER  25           HG       SER  25  -2.099   5.203   0.702
  200    H    HIS  26           H        HIS  26   0.909   8.412   2.320
  201    HA   HIS  26           HA       HIS  26  -1.345  10.037   3.010
  202    HB2  HIS  26           HB2      HIS  26   1.590  10.534   2.626
  203    HB3  HIS  26           HB3      HIS  26   0.483  11.895   2.737
  204    HD1  HIS  26           HD1      HIS  26   1.183   8.744   4.763
  205    HD2  HIS  26           HD2      HIS  26   0.194  12.745   5.276
  206    HE1  HIS  26           HE1      HIS  26   1.122   9.111   7.250
  207    HE2  HIS  26           HE2      HIS  26   0.625  11.562   7.532
  208    H    GLY  27           H        GLY  27  -2.148   9.055   0.749
  209    HA2  GLY  27           HA2      GLY  27  -2.188  11.345  -1.027
  210    HA3  GLY  27           HA3      GLY  27  -1.481   9.889  -1.707
  211    H    CYS  28           H        CYS  28  -3.273   8.080  -0.291
  212    HA   CYS  28           HA       CYS  28  -5.717   8.635  -1.832
  213    HB2  CYS  28           HB2      CYS  28  -4.497   6.681  -2.658
  214    HB3  CYS  28           HB3      CYS  28  -4.552   5.958  -1.052
  215    H    LYS  29           H        LYS  29  -7.686   8.307  -0.933
  216    HA   LYS  29           HA       LYS  29  -8.098   8.901   1.718
  217    HB2  LYS  29           HB2      LYS  29 -10.414   7.675   1.155
  218    HB3  LYS  29           HB3      LYS  29  -9.999   9.268   0.543
  219    HG2  LYS  29           HG2      LYS  29  -9.454   8.433  -1.585
  220    HG3  LYS  29           HG3      LYS  29  -9.396   6.773  -1.006
  221    HD2  LYS  29           HD2      LYS  29 -11.716   6.604  -0.876
  222    HD3  LYS  29           HD3      LYS  29 -11.937   8.357  -0.866
  223    HE2  LYS  29           HE2      LYS  29 -12.622   7.468  -3.004
  224    HE3  LYS  29           HE3      LYS  29 -11.161   8.429  -3.212
  225    HZ1  LYS  29           HZ1      LYS  29 -11.520   5.935  -4.155
  226    HZ2  LYS  29           HZ2      LYS  29 -10.672   5.632  -2.728
  227    HZ3  LYS  29           HZ3      LYS  29 -10.015   6.654  -3.899
  228    H    MET  30           H        MET  30  -8.786   5.693   0.298
  229    HA   MET  30           HA       MET  30  -8.905   4.511   2.909
  230    HB2  MET  30           HB2      MET  30  -8.915   3.138   0.218
  231    HB3  MET  30           HB3      MET  30  -9.423   2.448   1.752
  232    HG2  MET  30           HG2      MET  30 -10.751   4.719   0.297
  233    HG3  MET  30           HG3      MET  30 -11.340   3.063   0.428
  234    HE1  MET  30           HE1      MET  30 -13.729   4.060   1.312
  235    HE2  MET  30           HE2      MET  30 -13.014   5.656   1.082
  236    HE3  MET  30           HE3      MET  30 -13.810   5.259   2.604
  237    H    TYR  31           H        TYR  31  -7.713   1.949   1.944
  238    HA   TYR  31           HA       TYR  31  -4.993   2.514   2.786
  239    HB2  TYR  31           HB2      TYR  31  -6.342  -0.132   2.198
  240    HB3  TYR  31           HB3      TYR  31  -4.745   0.070   2.898
  241    HD1  TYR  31           HD1      TYR  31  -8.301   1.034   3.559
  242    HD2  TYR  31           HD2      TYR  31  -4.530  -0.092   5.176
  243    HE1  TYR  31           HE1      TYR  31  -9.298   0.932   5.804
  244    HE2  TYR  31           HE2      TYR  31  -5.516  -0.191   7.423
  245    HH   TYR  31           HH       TYR  31  -7.914  -0.609   8.349
  246    H    CYS  32           H        CYS  32  -3.168   1.757   1.633
  247    HA   CYS  32           HA       CYS  32  -3.589   1.615  -1.268
  248    HB2  CYS  32           HB2      CYS  32  -2.042   3.386  -0.534
  249    HB3  CYS  32           HB3      CYS  32  -1.058   2.193   0.300
  250    H    CYS  33           H        CYS  33  -3.457  -0.340  -2.146
  251    HA   CYS  33           HA       CYS  33  -2.272  -2.478  -0.545
  252    HB2  CYS  33           HB2      CYS  33  -3.972  -2.848  -2.992
  253    HB3  CYS  33           HB3      CYS  33  -3.669  -3.981  -1.689
  254    H    LEU  34           H        LEU  34  -0.525  -3.513  -1.151
  255    HA   LEU  34           HA       LEU  34   0.528  -3.069  -3.861
  256    HB2  LEU  34           HB2      LEU  34   2.038  -3.179  -1.251
  257    HB3  LEU  34           HB3      LEU  34   2.794  -3.138  -2.828
  258    HG   LEU  34           HG       LEU  34   0.900  -0.954  -2.058
  259   HD11  LEU  34          HD11      LEU  34   2.899  -1.508  -0.344
  260   HD12  LEU  34          HD12      LEU  34   2.333   0.126  -0.690
  261   HD13  LEU  34          HD13      LEU  34   3.761  -0.503  -1.509
  262   HD21  LEU  34          HD21      LEU  34   1.977   0.248  -3.706
  263   HD22  LEU  34          HD22      LEU  34   2.007  -1.388  -4.359
  264   HD23  LEU  34          HD23      LEU  34   3.447  -0.721  -3.596
  265    HA   PRO  35           HA       PRO  35   0.572  -7.467  -4.284
  266    HB2  PRO  35           HB2      PRO  35   3.136  -7.095  -5.728
  267    HB3  PRO  35           HB3      PRO  35   1.639  -7.858  -6.272
  268    HG2  PRO  35           HG2      PRO  35   2.391  -5.449  -7.170
  269    HG3  PRO  35           HG3      PRO  35   0.686  -5.855  -6.899
  270    HD2  PRO  35           HD2      PRO  35   2.527  -4.181  -5.254
  271    HD3  PRO  35           HD3      PRO  35   0.788  -3.991  -5.557
  272    H    ALA  36           H        ALA  36   1.475  -9.181  -3.214
  273    HA   ALA  36           HA       ALA  36   3.023  -8.824  -0.977
  274    HB1  ALA  36           HB1      ALA  36   3.344 -11.216  -0.935
  275    HB2  ALA  36           HB2      ALA  36   2.943 -11.332  -2.649
  276    HB3  ALA  36           HB3      ALA  36   1.709 -10.850  -1.484
  277    H    SER  37           H        SER  37   4.074  -9.367  -4.271
  278    HA   SER  37           HA       SER  37   6.779  -9.954  -3.751
  279    HB2  SER  37           HB2      SER  37   5.624  -8.620  -6.209
  280    HB3  SER  37           HB3      SER  37   7.140  -9.514  -6.105
  281    HG   SER  37           HG       SER  37   5.733 -11.333  -5.399
  282    H    TRP  38           H        TRP  38   5.019  -6.964  -3.888
  283    HA   TRP  38           HA       TRP  38   7.019  -5.118  -4.386
  284    HB2  TRP  38           HB2      TRP  38   4.601  -4.579  -4.155
  285    HB3  TRP  38           HB3      TRP  38   4.743  -4.811  -2.416
  286    HD1  TRP  38           HD1      TRP  38   6.219  -2.509  -5.169
  287    HE1  TRP  38           HE1      TRP  38   6.711  -0.216  -4.100
  288    HE3  TRP  38           HE3      TRP  38   4.998  -3.586  -0.323
  289    HZ2  TRP  38           HZ2      TRP  38   6.597   0.973  -1.551
  290    HZ3  TRP  38           HZ3      TRP  38   5.216  -1.813   1.369
  291    HH2  TRP  38           HH2      TRP  38   5.998   0.420   0.764
  292    H    LYS  39           H        LYS  39   8.763  -4.442  -3.299
  293    HA   LYS  39           HA       LYS  39   9.347  -5.647  -0.724
  294    HB2  LYS  39           HB2      LYS  39  11.007  -3.844  -2.496
  295    HB3  LYS  39           HB3      LYS  39  11.575  -4.597  -1.012
  296    HG2  LYS  39           HG2      LYS  39  10.621  -6.081  -3.453
  297    HG3  LYS  39           HG3      LYS  39  12.309  -5.791  -3.027
  298    HD2  LYS  39           HD2      LYS  39  12.028  -7.066  -0.970
  299    HD3  LYS  39           HD3      LYS  39  10.321  -7.314  -1.341
  300    HE2  LYS  39           HE2      LYS  39  12.615  -8.278  -3.043
  301    HE3  LYS  39           HE3      LYS  39  11.734  -9.271  -1.886
  302    HZ1  LYS  39           HZ1      LYS  39  10.869  -8.242  -4.486
  303    HZ2  LYS  39           HZ2      LYS  39   9.700  -8.445  -3.281
  304    HZ3  LYS  39           HZ3      LYS  39  10.623  -9.761  -3.793
  305    H    TRP  40           H        TRP  40   8.844  -4.723   1.106
  306    HA   TRP  40           HA       TRP  40   8.070  -1.946   1.158
  307    HB2  TRP  40           HB2      TRP  40   6.671  -3.584   2.308
  308    HB3  TRP  40           HB3      TRP  40   8.027  -4.050   3.326
  309    HD1  TRP  40           HD1      TRP  40   6.592  -3.405   5.488
  310    HE1  TRP  40           HE1      TRP  40   6.111  -1.146   6.611
  311    HE3  TRP  40           HE3      TRP  40   7.913  -0.263   1.646
  312    HZ2  TRP  40           HZ2      TRP  40   6.262   1.580   5.972
  313    HZ3  TRP  40           HZ3      TRP  40   7.717   2.157   2.008
  314    HH2  TRP  40           HH2      TRP  40   6.911   3.062   4.126
  315    H    LYS  41           H        LYS  41   9.152  -2.530   4.194
  316    HA   LYS  41           HA       LYS  41  11.862  -1.522   3.658
  317    HB2  LYS  41           HB2      LYS  41  11.648   0.034   5.507
  318    HB3  LYS  41           HB3      LYS  41  10.351   0.324   4.355
  319    HG2  LYS  41           HG2      LYS  41   8.849  -1.033   5.796
  320    HG3  LYS  41           HG3      LYS  41  10.150  -1.130   6.979
  321    HD2  LYS  41           HD2      LYS  41   9.014   1.460   5.958
  322    HD3  LYS  41           HD3      LYS  41   8.446   0.653   7.419
  323    HE2  LYS  41           HE2      LYS  41  11.251   1.637   6.900
  324    HE3  LYS  41           HE3      LYS  41  10.061   2.400   7.952
  325    HZ1  LYS  41           HZ1      LYS  41  11.518  -0.125   8.352
  326    HZ2  LYS  41           HZ2      LYS  41  10.055   0.151   9.148
  327    HZ3  LYS  41           HZ3      LYS  41  11.364   1.187   9.398
  Start of MODEL    5
    1    H1   LEU   1           H1       LEU   1   5.226   2.020   8.905
    2    H2   LEU   1           H2       LEU   1   3.802   1.296   9.445
    3    H3   LEU   1           H3       LEU   1   3.786   2.903   8.930
    4    HA   LEU   1           HA       LEU   1   4.826   1.235   6.901
    5    HB2  LEU   1           HB2      LEU   1   3.442  -0.435   8.097
    6    HB3  LEU   1           HB3      LEU   1   2.049   0.609   7.921
    7    HG   LEU   1           HG       LEU   1   2.160   0.332   5.473
    8   HD11  LEU   1          HD11      LEU   1   4.377  -0.060   4.935
    9   HD12  LEU   1          HD12      LEU   1   3.629  -1.641   4.712
   10   HD13  LEU   1          HD13      LEU   1   4.563  -1.306   6.169
   11   HD21  LEU   1          HD21      LEU   1   0.740  -1.142   6.771
   12   HD22  LEU   1          HD22      LEU   1   2.094  -2.239   7.042
   13   HD23  LEU   1          HD23      LEU   1   1.450  -2.017   5.415
   14    H    VAL   2           H        VAL   2   4.566   3.980   7.291
   15    HA   VAL   2           HA       VAL   2   2.231   4.788   5.735
   16    HB   VAL   2           HB       VAL   2   2.969   7.119   6.234
   17   HG11  VAL   2          HG11      VAL   2   2.226   5.155   8.361
   18   HG12  VAL   2          HG12      VAL   2   1.242   6.402   7.597
   19   HG13  VAL   2          HG13      VAL   2   2.478   6.850   8.773
   20   HG21  VAL   2          HG21      VAL   2   4.596   7.370   8.095
   21   HG22  VAL   2          HG22      VAL   2   5.301   6.763   6.600
   22   HG23  VAL   2          HG23      VAL   2   4.971   5.655   7.928
   23    H    LEU   3           H        LEU   3   2.308   5.324   3.702
   24    HA   LEU   3           HA       LEU   3   4.856   5.366   2.279
   25    HB2  LEU   3           HB2      LEU   3   1.983   4.984   1.492
   26    HB3  LEU   3           HB3      LEU   3   3.186   5.374   0.290
   27    HG   LEU   3           HG       LEU   3   4.330   3.310   0.630
   28   HD11  LEU   3          HD11      LEU   3   2.443   2.697   2.898
   29   HD12  LEU   3          HD12      LEU   3   4.096   3.271   3.110
   30   HD13  LEU   3          HD13      LEU   3   3.797   1.718   2.331
   31   HD21  LEU   3          HD21      LEU   3   1.351   3.140   0.449
   32   HD22  LEU   3          HD22      LEU   3   2.334   1.674   0.408
   33   HD23  LEU   3          HD23      LEU   3   2.564   2.923  -0.814
   34    H    LYS   4           H        LYS   4   5.547   7.155   1.143
   35    HA   LYS   4           HA       LYS   4   4.623   9.707   1.887
   36    HB2  LYS   4           HB2      LYS   4   6.232   8.849  -0.529
   37    HB3  LYS   4           HB3      LYS   4   5.940  10.522  -0.093
   38    HG2  LYS   4           HG2      LYS   4   8.132   9.870   0.623
   39    HG3  LYS   4           HG3      LYS   4   7.115  10.148   2.037
   40    HD2  LYS   4           HD2      LYS   4   6.916   7.866   2.488
   41    HD3  LYS   4           HD3      LYS   4   7.449   7.407   0.870
   42    HE2  LYS   4           HE2      LYS   4   9.212   6.964   2.467
   43    HE3  LYS   4           HE3      LYS   4   9.694   8.267   1.386
   44    HZ1  LYS   4           HZ1      LYS   4  10.304   9.016   3.475
   45    HZ2  LYS   4           HZ2      LYS   4   8.912   8.421   4.224
   46    HZ3  LYS   4           HZ3      LYS   4   8.820   9.783   3.232
   47    H    TYR   5           H        TYR   5   3.953   7.531  -0.689
   48    HA   TYR   5           HA       TYR   5   1.408   8.653  -1.290
   49    HB2  TYR   5           HB2      TYR   5   1.896   9.157  -3.672
   50    HB3  TYR   5           HB3      TYR   5   2.779  10.220  -2.582
   51    HD1  TYR   5           HD1      TYR   5   3.076   7.400  -4.925
   52    HD2  TYR   5           HD2      TYR   5   5.181  10.128  -2.430
   53    HE1  TYR   5           HE1      TYR   5   5.189   6.737  -5.993
   54    HE2  TYR   5           HE2      TYR   5   7.299   9.476  -3.492
   55    HH   TYR   5           HH       TYR   5   8.228   8.372  -5.218
   56    H    CYS   6           H        CYS   6   0.206   7.243  -2.634
   57    HA   CYS   6           HA       CYS   6   0.997   4.520  -2.393
   58    HB2  CYS   6           HB2      CYS   6  -1.370   5.424  -2.259
   59    HB3  CYS   6           HB3      CYS   6  -1.317   5.593  -4.010
   60    HA   PRO   7           HA       PRO   7   3.374   4.510  -6.219
   61    HB2  PRO   7           HB2      PRO   7   3.263   1.580  -5.761
   62    HB3  PRO   7           HB3      PRO   7   4.666   2.625  -6.003
   63    HG2  PRO   7           HG2      PRO   7   4.095   1.627  -3.592
   64    HG3  PRO   7           HG3      PRO   7   4.743   3.264  -3.777
   65    HD2  PRO   7           HD2      PRO   7   1.936   2.385  -3.236
   66    HD3  PRO   7           HD3      PRO   7   2.833   3.773  -2.585
   67    H    LYS   8           H        LYS   8   2.835   4.028  -8.364
   68    HA   LYS   8           HA       LYS   8   0.225   3.890  -9.102
   69    HB2  LYS   8           HB2      LYS   8   2.097   4.367 -10.653
   70    HB3  LYS   8           HB3      LYS   8   2.487   2.651 -10.678
   71    HG2  LYS   8           HG2      LYS   8   0.234   2.191 -11.583
   72    HG3  LYS   8           HG3      LYS   8  -0.064   3.926 -11.642
   73    HD2  LYS   8           HD2      LYS   8   1.819   4.193 -13.188
   74    HD3  LYS   8           HD3      LYS   8   2.106   2.452 -13.131
   75    HE2  LYS   8           HE2      LYS   8  -0.158   2.073 -14.020
   76    HE3  LYS   8           HE3      LYS   8  -0.391   3.815 -14.126
   77    HZ1  LYS   8           HZ1      LYS   8   0.513   3.737 -16.123
   78    HZ2  LYS   8           HZ2      LYS   8   0.854   2.088 -15.969
   79    HZ3  LYS   8           HZ3      LYS   8   1.974   3.238 -15.444
   80    H    ILE   9           H        ILE   9   2.376   1.084  -8.694
   81    HA   ILE   9           HA       ILE   9   0.485  -0.859  -9.465
   82    HB   ILE   9           HB       ILE   9   2.887  -1.372  -9.293
   83   HG12  ILE   9          HG12      ILE   9   1.217  -3.091  -7.441
   84   HG13  ILE   9          HG13      ILE   9   1.183  -3.185  -9.197
   85   HG21  ILE   9          HG21      ILE   9   2.599  -1.542  -6.317
   86   HG22  ILE   9          HG22      ILE   9   3.095  -0.041  -7.097
   87   HG23  ILE   9          HG23      ILE   9   4.068  -1.500  -7.292
   88   HD11  ILE   9          HD11      ILE   9   3.475  -3.849  -7.372
   89   HD12  ILE   9          HD12      ILE   9   3.611  -3.756  -9.128
   90   HD13  ILE   9          HD13      ILE   9   2.547  -4.950  -8.387
   91    H    GLY  10           H        GLY  10   1.107   0.769  -6.439
   92    HA2  GLY  10           HA2      GLY  10  -0.369  -0.923  -4.748
   93    HA3  GLY  10           HA3      GLY  10  -0.004   0.766  -4.435
   94    H    TYR  11           H        TYR  11  -2.438  -1.334  -4.678
   95    HA   TYR  11           HA       TYR  11  -4.298   0.360  -6.124
   96    HB2  TYR  11           HB2      TYR  11  -4.952  -2.150  -4.581
   97    HB3  TYR  11           HB3      TYR  11  -5.882  -1.403  -5.876
   98    HD1  TYR  11           HD1      TYR  11  -2.677  -3.114  -5.155
   99    HD2  TYR  11           HD2      TYR  11  -5.541  -2.047  -8.105
  100    HE1  TYR  11           HE1      TYR  11  -1.531  -4.556  -6.765
  101    HE2  TYR  11           HE2      TYR  11  -4.401  -3.489  -9.741
  102    HH   TYR  11           HH       TYR  11  -1.526  -5.386  -8.832
  103    H    CYS  12           H        CYS  12  -5.648   1.751  -5.221
  104    HA   CYS  12           HA       CYS  12  -5.640   2.007  -2.305
  105    HB2  CYS  12           HB2      CYS  12  -5.102   4.009  -3.684
  106    HB3  CYS  12           HB3      CYS  12  -6.691   3.901  -4.428
  107    H    SER  13           H        SER  13  -7.228   0.889  -1.317
  108    HA   SER  13           HA       SER  13  -9.955   1.137  -2.299
  109    HB2  SER  13           HB2      SER  13  -8.615  -1.561  -1.996
  110    HB3  SER  13           HB3      SER  13 -10.329  -1.304  -2.324
  111    HG   SER  13           HG       SER  13  -8.592  -0.003  -4.037
  112    H    ASN  14           H        ASN  14 -11.553   0.379  -0.790
  113    HA   ASN  14           HA       ASN  14 -11.117   1.172   1.834
  114    HB2  ASN  14           HB2      ASN  14 -13.344   0.937   0.704
  115    HB3  ASN  14           HB3      ASN  14 -13.208  -0.805   0.911
  116   HD21  ASN  14          HD21      ASN  14 -14.533   1.892   2.161
  117   HD22  ASN  14          HD22      ASN  14 -14.749   1.392   3.802
  118    H    THR  15           H        THR  15 -10.653  -1.877   0.289
  119    HA   THR  15           HA       THR  15  -9.236  -2.903   2.596
  120    HB   THR  15           HB       THR  15 -10.470  -5.080   2.505
  121    HG1  THR  15           HG1      THR  15 -12.738  -4.700   1.593
  122   HG21  THR  15          HG21      THR  15 -10.945  -3.166   4.148
  123   HG22  THR  15          HG22      THR  15 -12.168  -4.425   3.984
  124   HG23  THR  15          HG23      THR  15 -12.390  -2.872   3.181
  125    H    CYS  16           H        CYS  16  -7.710  -4.499   2.005
  126    HA   CYS  16           HA       CYS  16  -7.434  -4.910  -0.904
  127    HB2  CYS  16           HB2      CYS  16  -5.200  -4.747   1.111
  128    HB3  CYS  16           HB3      CYS  16  -5.043  -4.820  -0.640
  129    H    SER  17           H        SER  17  -6.507  -6.845  -1.619
  130    HA   SER  17           HA       SER  17  -7.329  -9.179  -0.325
  131    HB2  SER  17           HB2      SER  17  -5.715 -10.279  -1.989
  132    HB3  SER  17           HB3      SER  17  -6.985  -9.273  -2.682
  133    HG   SER  17           HG       SER  17  -4.574  -9.028  -3.299
  134    H    LYS  18           H        LYS  18  -6.259 -10.617   1.010
  135    HA   LYS  18           HA       LYS  18  -4.458  -9.697   2.841
  136    HB2  LYS  18           HB2      LYS  18  -4.700 -12.556   1.897
  137    HB3  LYS  18           HB3      LYS  18  -3.964 -12.038   3.405
  138    HG2  LYS  18           HG2      LYS  18  -6.203 -11.031   4.007
  139    HG3  LYS  18           HG3      LYS  18  -6.857 -11.882   2.609
  140    HD2  LYS  18           HD2      LYS  18  -7.277 -13.364   4.334
  141    HD3  LYS  18           HD3      LYS  18  -5.760 -13.975   3.678
  142    HE2  LYS  18           HE2      LYS  18  -6.058 -12.196   6.095
  143    HE3  LYS  18           HE3      LYS  18  -5.739 -13.925   6.127
  144    HZ1  LYS  18           HZ1      LYS  18  -3.676 -12.926   6.420
  145    HZ2  LYS  18           HZ2      LYS  18  -3.952 -11.747   5.247
  146    HZ3  LYS  18           HZ3      LYS  18  -3.677 -13.347   4.789
  147    H    THR  19           H        THR  19  -3.786 -11.036  -0.310
  148    HA   THR  19           HA       THR  19  -1.039 -11.501   0.005
  149    HB   THR  19           HB       THR  19  -0.972 -11.150  -2.524
  150    HG1  THR  19           HG1      THR  19  -3.621 -11.409  -2.881
  151   HG21  THR  19          HG21      THR  19  -1.760 -13.293  -2.896
  152   HG22  THR  19          HG22      THR  19  -3.114 -13.103  -1.784
  153   HG23  THR  19          HG23      THR  19  -1.480 -13.317  -1.156
  154    H    GLN  20           H        GLN  20  -2.816  -8.584  -0.918
  155    HA   GLN  20           HA       GLN  20  -0.362  -7.097  -1.296
  156    HB2  GLN  20           HB2      GLN  20  -3.257  -6.254  -1.429
  157    HB3  GLN  20           HB3      GLN  20  -1.903  -5.184  -1.765
  158    HG2  GLN  20           HG2      GLN  20  -1.194  -6.729  -3.569
  159    HG3  GLN  20           HG3      GLN  20  -2.640  -7.683  -3.268
  160   HE21  GLN  20          HE21      GLN  20  -3.433  -4.538  -2.734
  161   HE22  GLN  20          HE22      GLN  20  -4.081  -4.146  -4.276
  162    H    ILE  21           H        ILE  21   0.604  -5.818   0.121
  163    HA   ILE  21           HA       ILE  21  -0.039  -5.920   2.871
  164    HB   ILE  21           HB       ILE  21   1.805  -4.013   1.417
  165   HG12  ILE  21          HG12      ILE  21   2.478  -6.601   2.833
  166   HG13  ILE  21          HG13      ILE  21   2.286  -6.455   1.090
  167   HG21  ILE  21          HG21      ILE  21   2.894  -3.659   3.548
  168   HG22  ILE  21          HG22      ILE  21   1.787  -4.785   4.334
  169   HG23  ILE  21          HG23      ILE  21   1.182  -3.261   3.687
  170   HD11  ILE  21          HD11      ILE  21   4.154  -4.507   2.146
  171   HD12  ILE  21          HD12      ILE  21   4.348  -5.677   0.841
  172   HD13  ILE  21          HD13      ILE  21   4.624  -6.166   2.513
  173    H    TRP  22           H        TRP  22  -1.468  -4.741   4.010
  174    HA   TRP  22           HA       TRP  22  -2.916  -2.567   2.823
  175    HB2  TRP  22           HB2      TRP  22  -2.897  -3.691   5.628
  176    HB3  TRP  22           HB3      TRP  22  -3.942  -2.373   5.119
  177    HD1  TRP  22           HD1      TRP  22  -3.247  -5.687   3.215
  178    HE1  TRP  22           HE1      TRP  22  -5.510  -6.856   2.823
  179    HE3  TRP  22           HE3      TRP  22  -6.275  -2.453   5.748
  180    HZ2  TRP  22           HZ2      TRP  22  -8.217  -6.452   3.505
  181    HZ3  TRP  22           HZ3      TRP  22  -8.689  -2.906   5.827
  182    HH2  TRP  22           HH2      TRP  22  -9.639  -4.869   4.731
  183    H    ALA  23           H        ALA  23  -0.833  -1.410   2.368
  184    HA   ALA  23           HA       ALA  23   0.462  -0.148   4.609
  185    HB1  ALA  23           HB1      ALA  23   2.084   0.526   3.141
  186    HB2  ALA  23           HB2      ALA  23   0.955   0.689   1.795
  187    HB3  ALA  23           HB3      ALA  23   1.472  -0.912   2.325
  188    H    THR  24           H        THR  24   0.179   1.851   5.379
  189    HA   THR  24           HA       THR  24  -2.088   3.382   4.482
  190    HB   THR  24           HB       THR  24  -1.185   5.047   6.231
  191    HG1  THR  24           HG1      THR  24   0.930   3.592   6.078
  192   HG21  THR  24          HG21      THR  24  -3.024   3.733   6.877
  193   HG22  THR  24          HG22      THR  24  -1.827   3.474   8.145
  194   HG23  THR  24          HG23      THR  24  -2.068   2.251   6.898
  195    H    SER  25           H        SER  25  -2.026   5.209   3.212
  196    HA   SER  25           HA       SER  25   0.630   6.161   2.372
  197    HB2  SER  25           HB2      SER  25  -0.566   6.571   0.100
  198    HB3  SER  25           HB3      SER  25  -0.019   4.940   0.489
  199    HG   SER  25           HG       SER  25  -2.298   4.799   1.425
  200    H    HIS  26           H        HIS  26   0.868   8.328   2.158
  201    HA   HIS  26           HA       HIS  26  -1.175  10.006   3.297
  202    HB2  HIS  26           HB2      HIS  26   1.256  10.354   3.724
  203    HB3  HIS  26           HB3      HIS  26   1.464  10.780   2.029
  204    HD1  HIS  26           HD1      HIS  26   2.387  13.004   3.442
  205    HD2  HIS  26           HD2      HIS  26  -1.712  12.418   3.143
  206    HE1  HIS  26           HE1      HIS  26   1.347  15.233   3.958
  207    HE2  HIS  26           HE2      HIS  26  -1.113  14.895   3.541
  208    H    GLY  27           H        GLY  27  -2.170   8.789   1.025
  209    HA2  GLY  27           HA2      GLY  27  -3.294  10.877  -0.394
  210    HA3  GLY  27           HA3      GLY  27  -1.883  10.385  -1.311
  211    H    CYS  28           H        CYS  28  -4.337   8.569   0.510
  212    HA   CYS  28           HA       CYS  28  -5.164   7.244  -1.972
  213    HB2  CYS  28           HB2      CYS  28  -3.648   5.646  -1.122
  214    HB3  CYS  28           HB3      CYS  28  -4.164   5.916   0.536
  215    H    LYS  29           H        LYS  29  -7.303   6.925  -2.123
  216    HA   LYS  29           HA       LYS  29  -9.101   8.251  -0.493
  217    HB2  LYS  29           HB2      LYS  29  -9.585   5.846  -2.261
  218    HB3  LYS  29           HB3      LYS  29 -10.848   6.877  -1.602
  219    HG2  LYS  29           HG2      LYS  29 -10.117   8.738  -2.883
  220    HG3  LYS  29           HG3      LYS  29  -8.644   7.904  -3.365
  221    HD2  LYS  29           HD2      LYS  29 -10.042   6.238  -4.567
  222    HD3  LYS  29           HD3      LYS  29 -11.467   7.199  -4.163
  223    HE2  LYS  29           HE2      LYS  29 -10.698   7.690  -6.423
  224    HE3  LYS  29           HE3      LYS  29 -10.532   9.101  -5.380
  225    HZ1  LYS  29           HZ1      LYS  29  -8.524   9.067  -6.452
  226    HZ2  LYS  29           HZ2      LYS  29  -8.441   7.383  -6.519
  227    HZ3  LYS  29           HZ3      LYS  29  -8.140   8.187  -5.067
  228    H    MET  30           H        MET  30  -7.831   5.017  -0.280
  229    HA   MET  30           HA       MET  30  -8.917   4.780   2.413
  230    HB2  MET  30           HB2      MET  30  -9.269   2.614   0.334
  231    HB3  MET  30           HB3      MET  30  -9.730   2.506   2.026
  232    HG2  MET  30           HG2      MET  30 -11.731   2.942   0.959
  233    HG3  MET  30           HG3      MET  30 -11.229   4.535   1.517
  234    HE1  MET  30           HE1      MET  30 -12.752   6.056  -0.720
  235    HE2  MET  30           HE2      MET  30 -13.345   4.522  -0.086
  236    HE3  MET  30           HE3      MET  30 -13.228   4.769  -1.827
  237    H    TYR  31           H        TYR  31  -7.961   1.763   1.602
  238    HA   TYR  31           HA       TYR  31  -5.327   2.188   2.744
  239    HB2  TYR  31           HB2      TYR  31  -6.740  -0.366   1.944
  240    HB3  TYR  31           HB3      TYR  31  -5.177  -0.286   2.742
  241    HD1  TYR  31           HD1      TYR  31  -8.758   0.601   3.176
  242    HD2  TYR  31           HD2      TYR  31  -5.043  -0.246   5.066
  243    HE1  TYR  31           HE1      TYR  31  -9.894   0.512   5.350
  244    HE2  TYR  31           HE2      TYR  31  -6.169  -0.333   7.250
  245    HH   TYR  31           HH       TYR  31  -9.157   0.882   7.833
  246    H    CYS  32           H        CYS  32  -3.421   1.915   1.704
  247    HA   CYS  32           HA       CYS  32  -3.543   1.470  -1.201
  248    HB2  CYS  32           HB2      CYS  32  -2.449   3.560  -0.632
  249    HB3  CYS  32           HB3      CYS  32  -1.405   2.748   0.530
  250    H    CYS  33           H        CYS  33  -2.725  -0.429  -1.960
  251    HA   CYS  33           HA       CYS  33  -0.879  -1.869  -0.223
  252    HB2  CYS  33           HB2      CYS  33  -3.324  -3.233  -1.308
  253    HB3  CYS  33           HB3      CYS  33  -2.219  -3.800  -0.057
  254    H    LEU  34           H        LEU  34   0.417  -3.304  -1.150
  255    HA   LEU  34           HA       LEU  34   0.249  -3.668  -4.057
  256    HB2  LEU  34           HB2      LEU  34   2.872  -3.342  -2.625
  257    HB3  LEU  34           HB3      LEU  34   2.538  -3.200  -4.334
  258    HG   LEU  34           HG       LEU  34   1.142  -1.128  -3.661
  259   HD11  LEU  34          HD11      LEU  34   1.030  -0.717  -1.493
  260   HD12  LEU  34          HD12      LEU  34   2.737  -0.285  -1.558
  261   HD13  LEU  34          HD13      LEU  34   2.260  -1.929  -1.139
  262   HD21  LEU  34          HD21      LEU  34   2.815  -0.033  -4.610
  263   HD22  LEU  34          HD22      LEU  34   3.787  -1.496  -4.476
  264   HD23  LEU  34          HD23      LEU  34   3.842  -0.280  -3.202
  265    HA   PRO  35           HA       PRO  35   0.688  -8.005  -3.457
  266    HB2  PRO  35           HB2      PRO  35   3.203  -7.840  -5.049
  267    HB3  PRO  35           HB3      PRO  35   1.805  -8.898  -5.264
  268    HG2  PRO  35           HG2      PRO  35   2.253  -6.747  -6.832
  269    HG3  PRO  35           HG3      PRO  35   0.625  -7.323  -6.440
  270    HD2  PRO  35           HD2      PRO  35   2.043  -4.915  -5.516
  271    HD3  PRO  35           HD3      PRO  35   0.302  -5.252  -5.566
  272    H    ALA  36           H        ALA  36   1.788  -9.403  -2.078
  273    HA   ALA  36           HA       ALA  36   3.361  -8.372  -0.054
  274    HB1  ALA  36           HB1      ALA  36   3.385 -10.473   0.791
  275    HB2  ALA  36           HB2      ALA  36   3.863 -11.200  -0.740
  276    HB3  ALA  36           HB3      ALA  36   2.180 -10.755  -0.465
  277    H    SER  37           H        SER  37   4.277  -9.700  -3.154
  278    HA   SER  37           HA       SER  37   7.030 -10.010  -2.765
  279    HB2  SER  37           HB2      SER  37   5.793 -10.885  -4.722
  280    HB3  SER  37           HB3      SER  37   5.573  -9.238  -5.307
  281    HG   SER  37           HG       SER  37   8.005 -10.670  -5.010
  282    H    TRP  38           H        TRP  38   5.094  -7.203  -3.169
  283    HA   TRP  38           HA       TRP  38   6.785  -5.311  -4.217
  284    HB2  TRP  38           HB2      TRP  38   4.461  -4.837  -3.696
  285    HB3  TRP  38           HB3      TRP  38   4.789  -5.008  -1.976
  286    HD1  TRP  38           HD1      TRP  38   6.176  -2.763  -4.834
  287    HE1  TRP  38           HE1      TRP  38   6.421  -0.380  -3.896
  288    HE3  TRP  38           HE3      TRP  38   4.680  -3.630  -0.035
  289    HZ2  TRP  38           HZ2      TRP  38   6.028   0.958  -1.431
  290    HZ3  TRP  38           HZ3      TRP  38   4.639  -1.751   1.553
  291    HH2  TRP  38           HH2      TRP  38   5.303   0.496   0.863
  292    H    LYS  39           H        LYS  39   8.423  -4.060  -3.481
  293    HA   LYS  39           HA       LYS  39   9.698  -4.905  -1.011
  294    HB2  LYS  39           HB2      LYS  39  10.572  -3.296  -3.381
  295    HB3  LYS  39           HB3      LYS  39  11.459  -3.163  -1.871
  296    HG2  LYS  39           HG2      LYS  39  12.316  -4.823  -3.592
  297    HG3  LYS  39           HG3      LYS  39  12.133  -5.398  -1.934
  298    HD2  LYS  39           HD2      LYS  39  10.010  -6.435  -2.506
  299    HD3  LYS  39           HD3      LYS  39  10.136  -5.821  -4.157
  300    HE2  LYS  39           HE2      LYS  39  10.793  -8.179  -4.006
  301    HE3  LYS  39           HE3      LYS  39  12.131  -7.158  -4.526
  302    HZ1  LYS  39           HZ1      LYS  39  13.027  -7.222  -2.306
  303    HZ2  LYS  39           HZ2      LYS  39  12.793  -8.800  -2.859
  304    HZ3  LYS  39           HZ3      LYS  39  11.714  -8.126  -1.749
  305    H    TRP  40           H        TRP  40   9.375  -3.908   0.811
  306    HA   TRP  40           HA       TRP  40   7.986  -1.393   0.863
  307    HB2  TRP  40           HB2      TRP  40   7.448  -3.271   2.410
  308    HB3  TRP  40           HB3      TRP  40   9.022  -3.059   3.163
  309    HD1  TRP  40           HD1      TRP  40   7.433  -2.717   5.402
  310    HE1  TRP  40           HE1      TRP  40   6.468  -0.552   6.388
  311    HE3  TRP  40           HE3      TRP  40   7.788   0.315   1.276
  312    HZ2  TRP  40           HZ2      TRP  40   5.930   2.074   5.542
  313    HZ3  TRP  40           HZ3      TRP  40   7.029   2.636   1.467
  314    HH2  TRP  40           HH2      TRP  40   6.122   3.501   3.557
  315    H    LYS  41           H        LYS  41   9.641  -1.037   3.557
  316    HA   LYS  41           HA       LYS  41  11.362   0.981   2.499
  317    HB2  LYS  41           HB2      LYS  41  11.334  -0.153   5.297
  318    HB3  LYS  41           HB3      LYS  41  11.972   1.404   4.797
  319    HG2  LYS  41           HG2      LYS  41   9.787   2.222   4.302
  320    HG3  LYS  41           HG3      LYS  41   9.086   0.629   4.552
  321    HD2  LYS  41           HD2      LYS  41  10.510   2.157   6.709
  322    HD3  LYS  41           HD3      LYS  41   8.774   2.270   6.429
  323    HE2  LYS  41           HE2      LYS  41   9.057   0.684   8.158
  324    HE3  LYS  41           HE3      LYS  41   8.684  -0.234   6.705
  325    HZ1  LYS  41           HZ1      LYS  41  11.502   0.211   7.331
  326    HZ2  LYS  41           HZ2      LYS  41  10.748  -1.131   6.631
  327    HZ3  LYS  41           HZ3      LYS  41  10.654  -0.884   8.296
  Start of MODEL    6
    1    H1   LEU   1           H1       LEU   1   3.618   1.609   9.971
    2    H2   LEU   1           H2       LEU   1   2.911   3.119   9.711
    3    H3   LEU   1           H3       LEU   1   4.496   2.832   9.207
    4    HA   LEU   1           HA       LEU   1   3.858   1.467   7.469
    5    HB2  LEU   1           HB2      LEU   1   2.252   0.210   8.955
    6    HB3  LEU   1           HB3      LEU   1   1.076   1.467   8.645
    7    HG   LEU   1           HG       LEU   1   1.063   0.917   6.284
    8   HD11  LEU   1          HD11      LEU   1   3.392  -0.658   7.026
    9   HD12  LEU   1          HD12      LEU   1   2.894  -0.036   5.453
   10   HD13  LEU   1          HD13      LEU   1   2.228  -1.553   6.052
   11   HD21  LEU   1          HD21      LEU   1  -0.333  -0.907   6.479
   12   HD22  LEU   1          HD22      LEU   1  -0.310  -0.303   8.133
   13   HD23  LEU   1          HD23      LEU   1   0.685  -1.688   7.688
   14    H    VAL   2           H        VAL   2   4.081   4.254   7.767
   15    HA   VAL   2           HA       VAL   2   1.827   5.379   6.281
   16    HB   VAL   2           HB       VAL   2   4.204   6.734   7.561
   17   HG11  VAL   2          HG11      VAL   2   3.620   8.109   5.747
   18   HG12  VAL   2          HG12      VAL   2   2.788   8.813   7.132
   19   HG13  VAL   2          HG13      VAL   2   1.896   7.825   5.977
   20   HG21  VAL   2          HG21      VAL   2   2.308   7.695   9.002
   21   HG22  VAL   2          HG22      VAL   2   2.805   6.030   9.299
   22   HG23  VAL   2          HG23      VAL   2   1.340   6.361   8.377
   23    H    LEU   3           H        LEU   3   2.015   6.333   4.305
   24    HA   LEU   3           HA       LEU   3   4.569   6.127   2.861
   25    HB2  LEU   3           HB2      LEU   3   1.882   5.386   1.701
   26    HB3  LEU   3           HB3      LEU   3   3.426   5.299   0.890
   27    HG   LEU   3           HG       LEU   3   2.744   3.614   3.292
   28   HD11  LEU   3          HD11      LEU   3   2.191   3.214   0.382
   29   HD12  LEU   3          HD12      LEU   3   1.171   2.863   1.776
   30   HD13  LEU   3          HD13      LEU   3   2.553   1.829   1.411
   31   HD21  LEU   3          HD21      LEU   3   4.913   3.554   1.208
   32   HD22  LEU   3          HD22      LEU   3   4.568   2.201   2.284
   33   HD23  LEU   3          HD23      LEU   3   5.089   3.749   2.950
   34    H    LYS   4           H        LYS   4   4.914   7.811   1.404
   35    HA   LYS   4           HA       LYS   4   3.553  10.236   1.831
   36    HB2  LYS   4           HB2      LYS   4   5.277   9.374  -0.505
   37    HB3  LYS   4           HB3      LYS   4   4.727  11.019  -0.239
   38    HG2  LYS   4           HG2      LYS   4   7.031  10.719   0.470
   39    HG3  LYS   4           HG3      LYS   4   5.989  11.130   1.833
   40    HD2  LYS   4           HD2      LYS   4   6.061   8.957   2.691
   41    HD3  LYS   4           HD3      LYS   4   6.633   8.277   1.167
   42    HE2  LYS   4           HE2      LYS   4   8.787   9.284   1.454
   43    HE3  LYS   4           HE3      LYS   4   8.233  10.186   2.862
   44    HZ1  LYS   4           HZ1      LYS   4   8.238   8.315   4.169
   45    HZ2  LYS   4           HZ2      LYS   4   9.577   8.023   3.182
   46    HZ3  LYS   4           HZ3      LYS   4   8.108   7.248   2.869
   47    H    TYR   5           H        TYR   5   3.329   7.764  -0.614
   48    HA   TYR   5           HA       TYR   5   0.602   8.383  -1.241
   49    HB2  TYR   5           HB2      TYR   5   1.191   8.668  -3.731
   50    HB3  TYR   5           HB3      TYR   5   1.480  10.049  -2.678
   51    HD1  TYR   5           HD1      TYR   5   3.181   7.158  -4.293
   52    HD2  TYR   5           HD2      TYR   5   3.616  10.999  -2.518
   53    HE1  TYR   5           HE1      TYR   5   5.540   7.203  -4.976
   54    HE2  TYR   5           HE2      TYR   5   5.975  11.057  -3.201
   55    HH   TYR   5           HH       TYR   5   7.752   9.589  -3.818
   56    H    CYS   6           H        CYS   6  -0.373   6.683  -2.426
   57    HA   CYS   6           HA       CYS   6   0.880   4.160  -2.048
   58    HB2  CYS   6           HB2      CYS   6  -1.602   4.612  -1.920
   59    HB3  CYS   6           HB3      CYS   6  -1.599   4.720  -3.676
   60    HA   PRO   7           HA       PRO   7   3.268   4.158  -5.827
   61    HB2  PRO   7           HB2      PRO   7   3.191   1.228  -5.307
   62    HB3  PRO   7           HB3      PRO   7   4.577   2.277  -5.616
   63    HG2  PRO   7           HG2      PRO   7   4.068   1.374  -3.168
   64    HG3  PRO   7           HG3      PRO   7   4.666   3.024  -3.426
   65    HD2  PRO   7           HD2      PRO   7   1.910   2.082  -2.774
   66    HD3  PRO   7           HD3      PRO   7   2.762   3.545  -2.239
   67    H    LYS   8           H        LYS   8   2.649   3.988  -7.908
   68    HA   LYS   8           HA       LYS   8   0.078   3.450  -8.683
   69    HB2  LYS   8           HB2      LYS   8   0.937   3.254 -10.983
   70    HB3  LYS   8           HB3      LYS   8   1.521   4.666 -10.117
   71    HG2  LYS   8           HG2      LYS   8   3.646   3.572  -9.719
   72    HG3  LYS   8           HG3      LYS   8   3.064   2.119 -10.542
   73    HD2  LYS   8           HD2      LYS   8   3.081   4.811 -11.845
   74    HD3  LYS   8           HD3      LYS   8   4.479   3.734 -11.908
   75    HE2  LYS   8           HE2      LYS   8   3.136   2.022 -12.987
   76    HE3  LYS   8           HE3      LYS   8   1.700   3.033 -12.847
   77    HZ1  LYS   8           HZ1      LYS   8   2.595   4.581 -14.371
   78    HZ2  LYS   8           HZ2      LYS   8   2.789   3.050 -15.063
   79    HZ3  LYS   8           HZ3      LYS   8   4.110   3.837 -14.364
   80    H    ILE   9           H        ILE   9   2.749   1.210  -8.386
   81    HA   ILE   9           HA       ILE   9   1.661  -0.962  -9.785
   82    HB   ILE   9           HB       ILE   9   4.001  -0.929  -9.070
   83   HG12  ILE   9          HG12      ILE   9   4.166  -3.249  -8.203
   84   HG13  ILE   9          HG13      ILE   9   2.437  -3.231  -7.875
   85   HG21  ILE   9          HG21      ILE   9   3.473   0.137  -6.838
   86   HG22  ILE   9          HG22      ILE   9   4.711  -1.116  -6.833
   87   HG23  ILE   9          HG23      ILE   9   3.082  -1.482  -6.263
   88   HD11  ILE   9          HD11      ILE   9   3.602  -2.826 -10.613
   89   HD12  ILE   9          HD12      ILE   9   1.919  -3.133 -10.184
   90   HD13  ILE   9          HD13      ILE   9   3.128  -4.397  -9.969
   91    H    GLY  10           H        GLY  10   1.112   0.243  -6.553
   92    HA2  GLY  10           HA2      GLY  10  -0.365  -2.081  -5.698
   93    HA3  GLY  10           HA3      GLY  10  -0.179  -0.570  -4.821
   94    H    TYR  11           H        TYR  11  -2.373  -0.620  -4.264
   95    HA   TYR  11           HA       TYR  11  -4.096   0.641  -6.209
   96    HB2  TYR  11           HB2      TYR  11  -5.163  -1.809  -4.816
   97    HB3  TYR  11           HB3      TYR  11  -5.881  -0.912  -6.146
   98    HD1  TYR  11           HD1      TYR  11  -3.114  -3.201  -5.250
   99    HD2  TYR  11           HD2      TYR  11  -5.443  -1.507  -8.377
  100    HE1  TYR  11           HE1      TYR  11  -2.136  -4.804  -6.830
  101    HE2  TYR  11           HE2      TYR  11  -4.471  -3.108  -9.975
  102    HH   TYR  11           HH       TYR  11  -1.904  -5.342  -9.006
  103    H    CYS  12           H        CYS  12  -5.407   2.075  -5.200
  104    HA   CYS  12           HA       CYS  12  -5.323   2.109  -2.275
  105    HB2  CYS  12           HB2      CYS  12  -6.153   4.230  -4.267
  106    HB3  CYS  12           HB3      CYS  12  -6.188   4.436  -2.518
  107    H    SER  13           H        SER  13  -6.974   1.175  -1.243
  108    HA   SER  13           HA       SER  13  -9.695   1.701  -2.118
  109    HB2  SER  13           HB2      SER  13  -8.689  -1.148  -1.875
  110    HB3  SER  13           HB3      SER  13 -10.328  -0.644  -2.287
  111    HG   SER  13           HG       SER  13  -8.778   0.586  -3.984
  112    H    ASN  14           H        ASN  14 -11.296   0.770  -0.585
  113    HA   ASN  14           HA       ASN  14 -10.825   1.595   2.015
  114    HB2  ASN  14           HB2      ASN  14 -13.071   1.225   0.955
  115    HB3  ASN  14           HB3      ASN  14 -12.838  -0.504   1.184
  116   HD21  ASN  14          HD21      ASN  14 -14.295   2.119   2.433
  117   HD22  ASN  14          HD22      ASN  14 -14.423   1.637   4.087
  118    H    THR  15           H        THR  15 -10.265  -1.488   0.513
  119    HA   THR  15           HA       THR  15  -8.715  -2.341   2.798
  120    HB   THR  15           HB       THR  15  -9.848  -4.610   2.788
  121    HG1  THR  15           HG1      THR  15 -11.381  -3.296   0.944
  122   HG21  THR  15          HG21      THR  15 -11.595  -2.345   3.733
  123   HG22  THR  15          HG22      THR  15 -10.131  -2.873   4.563
  124   HG23  THR  15          HG23      THR  15 -11.495  -3.976   4.396
  125    H    CYS  16           H        CYS  16  -7.369  -4.198   2.308
  126    HA   CYS  16           HA       CYS  16  -6.812  -4.404  -0.574
  127    HB2  CYS  16           HB2      CYS  16  -4.960  -4.852   1.774
  128    HB3  CYS  16           HB3      CYS  16  -4.503  -4.864   0.069
  129    H    SER  17           H        SER  17  -6.447  -6.391  -1.524
  130    HA   SER  17           HA       SER  17  -7.779  -8.627  -0.487
  131    HB2  SER  17           HB2      SER  17  -5.503  -8.783  -2.470
  132    HB3  SER  17           HB3      SER  17  -6.933  -9.809  -2.371
  133    HG   SER  17           HG       SER  17  -6.671  -7.816  -3.947
  134    H    LYS  18           H        LYS  18  -7.098 -10.203   0.930
  135    HA   LYS  18           HA       LYS  18  -5.039  -9.836   2.658
  136    HB2  LYS  18           HB2      LYS  18  -6.819 -11.585   2.858
  137    HB3  LYS  18           HB3      LYS  18  -5.918 -12.567   1.711
  138    HG2  LYS  18           HG2      LYS  18  -5.499 -13.263   4.008
  139    HG3  LYS  18           HG3      LYS  18  -4.029 -12.656   3.245
  140    HD2  LYS  18           HD2      LYS  18  -4.355 -10.492   4.360
  141    HD3  LYS  18           HD3      LYS  18  -5.814 -11.116   5.131
  142    HE2  LYS  18           HE2      LYS  18  -4.490 -12.797   6.296
  143    HE3  LYS  18           HE3      LYS  18  -3.031 -12.219   5.494
  144    HZ1  LYS  18           HZ1      LYS  18  -4.398 -10.098   6.801
  145    HZ2  LYS  18           HZ2      LYS  18  -2.804 -10.625   6.994
  146    HZ3  LYS  18           HZ3      LYS  18  -4.044 -11.341   7.886
  147    H    THR  19           H        THR  19  -4.902 -11.330  -0.498
  148    HA   THR  19           HA       THR  19  -2.163 -12.158  -0.291
  149    HB   THR  19           HB       THR  19  -2.448 -12.371  -2.849
  150    HG1  THR  19           HG1      THR  19  -4.193 -11.299  -3.469
  151   HG21  THR  19          HG21      THR  19  -2.639 -14.245  -1.216
  152   HG22  THR  19          HG22      THR  19  -3.661 -14.444  -2.639
  153   HG23  THR  19          HG23      THR  19  -4.370 -13.922  -1.111
  154    H    GLN  20           H        GLN  20  -2.586  -9.406   0.393
  155    HA   GLN  20           HA       GLN  20  -0.643  -8.175  -1.362
  156    HB2  GLN  20           HB2      GLN  20  -3.376  -6.930  -0.972
  157    HB3  GLN  20           HB3      GLN  20  -2.025  -6.186  -1.809
  158    HG2  GLN  20           HG2      GLN  20  -2.101  -7.944  -3.500
  159    HG3  GLN  20           HG3      GLN  20  -3.439  -8.708  -2.649
  160   HE21  GLN  20          HE21      GLN  20  -3.350  -5.287  -2.694
  161   HE22  GLN  20          HE22      GLN  20  -4.600  -5.046  -3.862
  162    H    ILE  21           H        ILE  21   0.579  -6.701  -0.301
  163    HA   ILE  21           HA       ILE  21   0.434  -6.564   2.529
  164    HB   ILE  21           HB       ILE  21   2.087  -4.969   0.561
  165   HG12  ILE  21          HG12      ILE  21   2.824  -7.311   2.330
  166   HG13  ILE  21          HG13      ILE  21   2.504  -7.412   0.604
  167   HG21  ILE  21          HG21      ILE  21   2.264  -5.114   3.566
  168   HG22  ILE  21          HG22      ILE  21   1.906  -3.693   2.586
  169   HG23  ILE  21          HG23      ILE  21   3.509  -4.424   2.526
  170   HD11  ILE  21          HD11      ILE  21   4.780  -6.006   1.967
  171   HD12  ILE  21          HD12      ILE  21   4.409  -5.832   0.251
  172   HD13  ILE  21          HD13      ILE  21   4.851  -7.411   0.903
  173    H    TRP  22           H        TRP  22  -0.393  -5.035   3.837
  174    HA   TRP  22           HA       TRP  22  -2.004  -2.918   2.618
  175    HB2  TRP  22           HB2      TRP  22  -1.878  -3.774   5.521
  176    HB3  TRP  22           HB3      TRP  22  -3.069  -2.707   4.790
  177    HD1  TRP  22           HD1      TRP  22  -1.905  -6.309   3.871
  178    HE1  TRP  22           HE1      TRP  22  -4.011  -7.764   3.609
  179    HE3  TRP  22           HE3      TRP  22  -5.454  -2.799   4.963
  180    HZ2  TRP  22           HZ2      TRP  22  -6.807  -7.463   3.837
  181    HZ3  TRP  22           HZ3      TRP  22  -7.822  -3.463   4.914
  182    HH2  TRP  22           HH2      TRP  22  -8.482  -5.746   4.362
  183    H    ALA  23           H        ALA  23  -1.562  -0.766   2.925
  184    HA   ALA  23           HA       ALA  23   0.349   0.076   4.915
  185    HB1  ALA  23           HB1      ALA  23   1.923   1.085   3.356
  186    HB2  ALA  23           HB2      ALA  23   1.009   0.430   1.996
  187    HB3  ALA  23           HB3      ALA  23   1.829  -0.659   3.114
  188    H    THR  24           H        THR  24   0.095   2.182   5.488
  189    HA   THR  24           HA       THR  24  -2.215   3.546   4.420
  190    HB   THR  24           HB       THR  24  -0.302   4.559   6.528
  191    HG1  THR  24           HG1      THR  24  -2.367   2.627   6.669
  192   HG21  THR  24          HG21      THR  24  -3.204   5.053   6.691
  193   HG22  THR  24          HG22      THR  24  -2.377   5.841   5.348
  194   HG23  THR  24          HG23      THR  24  -1.851   6.137   7.006
  195    H    SER  25           H        SER  25  -2.150   5.144   2.923
  196    HA   SER  25           HA       SER  25   0.431   6.470   2.456
  197    HB2  SER  25           HB2      SER  25  -0.141   6.548   0.029
  198    HB3  SER  25           HB3      SER  25   0.107   4.913   0.637
  199    HG   SER  25           HG       SER  25  -2.319   5.014   0.939
  200    H    HIS  26           H        HIS  26   0.316   8.558   2.812
  201    HA   HIS  26           HA       HIS  26  -1.920   9.994   3.519
  202    HB2  HIS  26           HB2      HIS  26   0.476  10.687   3.824
  203    HB3  HIS  26           HB3      HIS  26   0.511  11.135   2.126
  204    HD1  HIS  26           HD1      HIS  26   1.181  13.448   3.603
  205    HD2  HIS  26           HD2      HIS  26  -2.808  12.316   3.351
  206    HE1  HIS  26           HE1      HIS  26  -0.139  15.512   4.150
  207    HE2  HIS  26           HE2      HIS  26  -2.536  14.747   4.182
  208    H    GLY  27           H        GLY  27  -0.460   9.626   0.332
  209    HA2  GLY  27           HA2      GLY  27  -2.008  11.456  -1.085
  210    HA3  GLY  27           HA3      GLY  27  -1.261  10.025  -1.772
  211    H    CYS  28           H        CYS  28  -2.847   8.237   0.017
  212    HA   CYS  28           HA       CYS  28  -5.395   8.485  -1.424
  213    HB2  CYS  28           HB2      CYS  28  -3.843   6.041  -0.608
  214    HB3  CYS  28           HB3      CYS  28  -5.524   5.968  -1.127
  215    H    LYS  29           H        LYS  29  -7.252   8.447  -0.390
  216    HA   LYS  29           HA       LYS  29  -7.431   9.049   2.327
  217    HB2  LYS  29           HB2      LYS  29  -9.881   8.643   2.016
  218    HB3  LYS  29           HB3      LYS  29  -9.173   9.718   0.820
  219    HG2  LYS  29           HG2      LYS  29  -9.162   7.979  -0.829
  220    HG3  LYS  29           HG3      LYS  29  -9.657   6.784   0.358
  221    HD2  LYS  29           HD2      LYS  29 -11.547   7.389  -0.997
  222    HD3  LYS  29           HD3      LYS  29 -11.790   7.992   0.642
  223    HE2  LYS  29           HE2      LYS  29 -12.455   9.662  -1.002
  224    HE3  LYS  29           HE3      LYS  29 -11.073  10.221  -0.063
  225    HZ1  LYS  29           HZ1      LYS  29  -9.822   9.099  -2.103
  226    HZ2  LYS  29           HZ2      LYS  29 -10.306  10.714  -2.107
  227    HZ3  LYS  29           HZ3      LYS  29 -11.245   9.549  -2.886
  228    H    MET  30           H        MET  30  -8.195   6.004   0.665
  229    HA   MET  30           HA       MET  30  -8.763   4.680   3.155
  230    HB2  MET  30           HB2      MET  30  -8.660   3.665   0.312
  231    HB3  MET  30           HB3      MET  30  -9.133   2.689   1.697
  232    HG2  MET  30           HG2      MET  30 -11.055   3.981   2.094
  233    HG3  MET  30           HG3      MET  30 -10.522   5.250   1.000
  234    HE1  MET  30           HE1      MET  30 -10.673   5.141  -1.608
  235    HE2  MET  30           HE2      MET  30 -11.034   3.668  -2.508
  236    HE3  MET  30           HE3      MET  30  -9.548   3.784  -1.567
  237    H    TYR  31           H        TYR  31  -7.412   2.230   1.577
  238    HA   TYR  31           HA       TYR  31  -4.835   2.551   2.963
  239    HB2  TYR  31           HB2      TYR  31  -6.242  -0.007   2.165
  240    HB3  TYR  31           HB3      TYR  31  -4.750   0.116   3.085
  241    HD1  TYR  31           HD1      TYR  31  -8.229   1.498   3.315
  242    HD2  TYR  31           HD2      TYR  31  -4.955  -0.337   5.314
  243    HE1  TYR  31           HE1      TYR  31  -9.532   1.451   5.393
  244    HE2  TYR  31           HE2      TYR  31  -6.254  -0.393   7.397
  245    HH   TYR  31           HH       TYR  31  -9.565   0.105   7.522
  246    H    CYS  32           H        CYS  32  -3.005   1.460   1.986
  247    HA   CYS  32           HA       CYS  32  -3.072   1.602  -0.945
  248    HB2  CYS  32           HB2      CYS  32  -1.365   3.018   0.216
  249    HB3  CYS  32           HB3      CYS  32  -0.661   1.555   0.894
  250    H    CYS  33           H        CYS  33  -2.981  -0.236  -2.031
  251    HA   CYS  33           HA       CYS  33  -2.317  -2.701  -0.564
  252    HB2  CYS  33           HB2      CYS  33  -4.068  -2.459  -3.006
  253    HB3  CYS  33           HB3      CYS  33  -3.951  -3.810  -1.883
  254    H    LEU  34           H        LEU  34  -0.723  -3.983  -1.334
  255    HA   LEU  34           HA       LEU  34   0.057  -3.761  -4.134
  256    HB2  LEU  34           HB2      LEU  34   2.150  -3.582  -1.975
  257    HB3  LEU  34           HB3      LEU  34   2.367  -3.386  -3.699
  258    HG   LEU  34           HG       LEU  34   0.663  -1.367  -3.270
  259   HD11  LEU  34          HD11      LEU  34   0.423  -0.755  -1.164
  260   HD12  LEU  34          HD12      LEU  34   2.172  -0.708  -0.937
  261   HD13  LEU  34          HD13      LEU  34   1.289  -2.211  -0.678
  262   HD21  LEU  34          HD21      LEU  34   2.393  -0.214  -4.031
  263   HD22  LEU  34          HD22      LEU  34   3.388  -1.651  -3.815
  264   HD23  LEU  34          HD23      LEU  34   3.280  -0.452  -2.528
  265    HA   PRO  35           HA       PRO  35   0.398  -8.140  -3.918
  266    HB2  PRO  35           HB2      PRO  35   2.965  -7.860  -5.393
  267    HB3  PRO  35           HB3      PRO  35   1.531  -8.807  -5.802
  268    HG2  PRO  35           HG2      PRO  35   2.115  -6.536  -7.089
  269    HG3  PRO  35           HG3      PRO  35   0.441  -7.002  -6.741
  270    HD2  PRO  35           HD2      PRO  35   2.150  -4.945  -5.431
  271    HD3  PRO  35           HD3      PRO  35   0.397  -4.949  -5.717
  272    H    ALA  36           H        ALA  36   1.442  -9.697  -2.684
  273    HA   ALA  36           HA       ALA  36   2.928  -8.942  -0.483
  274    HB1  ALA  36           HB1      ALA  36   3.234 -11.661  -1.714
  275    HB2  ALA  36           HB2      ALA  36   1.718 -11.156  -0.969
  276    HB3  ALA  36           HB3      ALA  36   3.194 -11.212  -0.009
  277    H    SER  37           H        SER  37   3.963  -9.777  -3.692
  278    HA   SER  37           HA       SER  37   6.704 -10.160  -3.232
  279    HB2  SER  37           HB2      SER  37   5.413  -9.041  -5.726
  280    HB3  SER  37           HB3      SER  37   6.953  -9.891  -5.618
  281    HG   SER  37           HG       SER  37   5.803 -11.754  -4.974
  282    H    TRP  38           H        TRP  38   4.778  -7.272  -3.528
  283    HA   TRP  38           HA       TRP  38   6.586  -5.350  -4.269
  284    HB2  TRP  38           HB2      TRP  38   4.202  -4.900  -3.803
  285    HB3  TRP  38           HB3      TRP  38   4.515  -5.094  -2.083
  286    HD1  TRP  38           HD1      TRP  38   5.987  -2.852  -4.906
  287    HE1  TRP  38           HE1      TRP  38   6.294  -0.485  -3.939
  288    HE3  TRP  38           HE3      TRP  38   4.384  -3.717  -0.141
  289    HZ2  TRP  38           HZ2      TRP  38   5.894   0.840  -1.482
  290    HZ3  TRP  38           HZ3      TRP  38   4.363  -1.844   1.458
  291    HH2  TRP  38           HH2      TRP  38   5.111   0.385   0.800
  292    H    LYS  39           H        LYS  39   8.250  -4.282  -3.327
  293    HA   LYS  39           HA       LYS  39   9.342  -5.441  -0.910
  294    HB2  LYS  39           HB2      LYS  39  10.421  -3.445  -2.894
  295    HB3  LYS  39           HB3      LYS  39  11.269  -3.852  -1.411
  296    HG2  LYS  39           HG2      LYS  39  10.495  -5.851  -3.524
  297    HG3  LYS  39           HG3      LYS  39  12.076  -5.077  -3.402
  298    HD2  LYS  39           HD2      LYS  39  12.270  -6.000  -1.092
  299    HD3  LYS  39           HD3      LYS  39  10.773  -6.889  -1.373
  300    HE2  LYS  39           HE2      LYS  39  11.797  -8.112  -3.191
  301    HE3  LYS  39           HE3      LYS  39  13.271  -7.160  -3.040
  302    HZ1  LYS  39           HZ1      LYS  39  13.225  -9.451  -1.968
  303    HZ2  LYS  39           HZ2      LYS  39  12.249  -8.753  -0.779
  304    HZ3  LYS  39           HZ3      LYS  39  13.810  -8.173  -1.037
  305    H    TRP  40           H        TRP  40   7.927  -4.748   0.636
  306    HA   TRP  40           HA       TRP  40   7.407  -1.970   1.032
  307    HB2  TRP  40           HB2      TRP  40   5.746  -3.682   1.611
  308    HB3  TRP  40           HB3      TRP  40   6.844  -4.349   2.807
  309    HD1  TRP  40           HD1      TRP  40   4.887  -3.908   4.619
  310    HE1  TRP  40           HE1      TRP  40   4.299  -1.810   5.968
  311    HE3  TRP  40           HE3      TRP  40   7.333  -0.402   1.792
  312    HZ2  TRP  40           HZ2      TRP  40   4.800   0.965   5.854
  313    HZ3  TRP  40           HZ3      TRP  40   7.225   1.946   2.492
  314    HH2  TRP  40           HH2      TRP  40   5.983   2.615   4.481
  315    H    LYS  41           H        LYS  41   7.763  -2.891   4.093
  316    HA   LYS  41           HA       LYS  41  10.268  -1.492   4.417
  317    HB2  LYS  41           HB2      LYS  41   8.323  -2.675   6.406
  318    HB3  LYS  41           HB3      LYS  41   9.800  -1.845   6.867
  319    HG2  LYS  41           HG2      LYS  41   9.019   0.207   5.930
  320    HG3  LYS  41           HG3      LYS  41   7.617  -0.590   5.232
  321    HD2  LYS  41           HD2      LYS  41   6.936   0.590   7.219
  322    HD3  LYS  41           HD3      LYS  41   6.849  -1.145   7.527
  323    HE2  LYS  41           HE2      LYS  41   7.832   0.002   9.425
  324    HE3  LYS  41           HE3      LYS  41   9.027  -1.041   8.658
  325    HZ1  LYS  41           HZ1      LYS  41   9.662   1.356   9.310
  326    HZ2  LYS  41           HZ2      LYS  41   8.851   1.795   7.896
  327    HZ3  LYS  41           HZ3      LYS  41  10.178   0.751   7.823
  Start of MODEL    7
    1    H1   LEU   1           H1       LEU   1   1.246   1.424   9.858
    2    H2   LEU   1           H2       LEU   1   1.587  -0.226   9.749
    3    H3   LEU   1           H3       LEU   1   0.346   0.445   8.820
    4    HA   LEU   1           HA       LEU   1   3.209   1.136   8.558
    5    HB2  LEU   1           HB2      LEU   1   2.553  -1.214   7.943
    6    HB3  LEU   1           HB3      LEU   1   1.460  -0.537   6.752
    7    HG   LEU   1           HG       LEU   1   4.441  -0.113   6.753
    8   HD11  LEU   1          HD11      LEU   1   2.712  -2.189   5.492
    9   HD12  LEU   1          HD12      LEU   1   4.302  -2.350   6.237
   10   HD13  LEU   1          HD13      LEU   1   4.148  -1.621   4.639
   11   HD21  LEU   1          HD21      LEU   1   2.210   0.868   5.086
   12   HD22  LEU   1          HD22      LEU   1   3.673   0.361   4.245
   13   HD23  LEU   1          HD23      LEU   1   3.756   1.619   5.475
   14    H    VAL   2           H        VAL   2   3.540   2.983   7.428
   15    HA   VAL   2           HA       VAL   2   1.343   3.993   5.772
   16    HB   VAL   2           HB       VAL   2   1.804   6.285   6.540
   17   HG11  VAL   2          HG11      VAL   2  -0.054   5.102   7.513
   18   HG12  VAL   2          HG12      VAL   2   0.746   6.041   8.771
   19   HG13  VAL   2          HG13      VAL   2   1.011   4.303   8.668
   20   HG21  VAL   2          HG21      VAL   2   3.936   4.897   7.958
   21   HG22  VAL   2          HG22      VAL   2   3.022   6.007   8.977
   22   HG23  VAL   2          HG23      VAL   2   3.796   6.594   7.505
   23    H    LEU   3           H        LEU   3   1.887   5.024   3.916
   24    HA   LEU   3           HA       LEU   3   4.731   5.003   3.172
   25    HB2  LEU   3           HB2      LEU   3   2.183   4.641   1.639
   26    HB3  LEU   3           HB3      LEU   3   3.622   5.195   0.824
   27    HG   LEU   3           HG       LEU   3   4.776   3.161   1.269
   28   HD11  LEU   3          HD11      LEU   3   4.078   2.734   3.531
   29   HD12  LEU   3          HD12      LEU   3   3.717   1.328   2.533
   30   HD13  LEU   3          HD13      LEU   3   2.423   2.432   3.003
   31   HD21  LEU   3          HD21      LEU   3   2.980   1.495   0.382
   32   HD22  LEU   3          HD22      LEU   3   3.505   2.846  -0.623
   33   HD23  LEU   3          HD23      LEU   3   1.979   2.946   0.257
   34    H    LYS   4           H        LYS   4   5.700   6.837   2.485
   35    HA   LYS   4           HA       LYS   4   4.505   9.378   2.906
   36    HB2  LYS   4           HB2      LYS   4   6.962   8.494   1.381
   37    HB3  LYS   4           HB3      LYS   4   6.480  10.176   1.482
   38    HG2  LYS   4           HG2      LYS   4   8.201   9.722   3.094
   39    HG3  LYS   4           HG3      LYS   4   6.689  10.065   3.931
   40    HD2  LYS   4           HD2      LYS   4   6.352   7.779   4.452
   41    HD3  LYS   4           HD3      LYS   4   7.623   7.266   3.340
   42    HE2  LYS   4           HE2      LYS   4   9.306   8.299   4.731
   43    HE3  LYS   4           HE3      LYS   4   8.067   8.939   5.808
   44    HZ1  LYS   4           HZ1      LYS   4   8.062   6.061   5.397
   45    HZ2  LYS   4           HZ2      LYS   4   7.783   6.951   6.805
   46    HZ3  LYS   4           HZ3      LYS   4   9.363   6.683   6.274
   47    H    TYR   5           H        TYR   5   4.749   7.135   0.365
   48    HA   TYR   5           HA       TYR   5   2.696   8.305  -1.226
   49    HB2  TYR   5           HB2      TYR   5   4.138   8.542  -3.265
   50    HB3  TYR   5           HB3      TYR   5   4.491   9.720  -2.008
   51    HD1  TYR   5           HD1      TYR   5   5.685   6.688  -3.701
   52    HD2  TYR   5           HD2      TYR   5   6.605   9.694  -0.835
   53    HE1  TYR   5           HE1      TYR   5   8.025   5.948  -3.685
   54    HE2  TYR   5           HE2      TYR   5   8.954   8.965  -0.813
   55    HH   TYR   5           HH       TYR   5  10.152   6.604  -3.109
   56    H    CYS   6           H        CYS   6   1.836   6.765  -2.594
   57    HA   CYS   6           HA       CYS   6   2.846   4.070  -2.185
   58    HB2  CYS   6           HB2      CYS   6   0.390   4.687  -1.984
   59    HB3  CYS   6           HB3      CYS   6   0.377   4.828  -3.736
   60    HA   PRO   7           HA       PRO   7   4.950   4.045  -6.092
   61    HB2  PRO   7           HB2      PRO   7   4.866   1.124  -5.933
   62    HB3  PRO   7           HB3      PRO   7   6.257   2.206  -5.899
   63    HG2  PRO   7           HG2      PRO   7   5.415   0.834  -3.726
   64    HG3  PRO   7           HG3      PRO   7   6.210   2.413  -3.621
   65    HD2  PRO   7           HD2      PRO   7   3.316   1.721  -3.376
   66    HD3  PRO   7           HD3      PRO   7   4.273   2.931  -2.497
   67    H    LYS   8           H        LYS   8   4.429   3.730  -8.226
   68    HA   LYS   8           HA       LYS   8   1.833   3.639  -9.054
   69    HB2  LYS   8           HB2      LYS   8   2.609   3.370 -11.281
   70    HB3  LYS   8           HB3      LYS   8   3.843   4.285 -10.430
   71    HG2  LYS   8           HG2      LYS   8   3.978   1.318 -10.902
   72    HG3  LYS   8           HG3      LYS   8   4.707   2.520 -11.962
   73    HD2  LYS   8           HD2      LYS   8   5.344   2.309  -9.025
   74    HD3  LYS   8           HD3      LYS   8   6.249   1.454 -10.271
   75    HE2  LYS   8           HE2      LYS   8   6.904   3.526 -11.297
   76    HE3  LYS   8           HE3      LYS   8   5.868   4.444 -10.209
   77    HZ1  LYS   8           HZ1      LYS   8   7.785   2.760  -8.871
   78    HZ2  LYS   8           HZ2      LYS   8   7.391   4.378  -8.594
   79    HZ3  LYS   8           HZ3      LYS   8   8.485   3.971  -9.813
   80    H    ILE   9           H        ILE   9   3.900   0.918  -8.369
   81    HA   ILE   9           HA       ILE   9   2.497  -1.096  -9.699
   82    HB   ILE   9           HB       ILE   9   4.680  -1.554  -8.822
   83   HG12  ILE   9          HG12      ILE   9   4.282  -3.661  -7.567
   84   HG13  ILE   9          HG13      ILE   9   2.599  -3.196  -7.358
   85   HG21  ILE   9          HG21      ILE   9   4.403  -1.912  -6.076
   86   HG22  ILE   9          HG22      ILE   9   3.625  -0.369  -6.416
   87   HG23  ILE   9          HG23      ILE   9   5.298  -0.638  -6.901
   88   HD11  ILE   9          HD11      ILE   9   2.050  -3.764  -9.460
   89   HD12  ILE   9          HD12      ILE   9   3.477  -4.788  -9.318
   90   HD13  ILE   9          HD13      ILE   9   3.591  -3.226 -10.128
   91    H    GLY  10           H        GLY  10   1.899   0.419  -6.585
   92    HA2  GLY  10           HA2      GLY  10  -0.122  -1.517  -5.860
   93    HA3  GLY  10           HA3      GLY  10   0.340  -0.098  -4.938
   94    H    TYR  11           H        TYR  11  -2.178  -0.506  -4.866
   95    HA   TYR  11           HA       TYR  11  -3.333   1.667  -6.388
   96    HB2  TYR  11           HB2      TYR  11  -5.173   0.409  -7.312
   97    HB3  TYR  11           HB3      TYR  11  -3.677  -0.348  -7.838
   98    HD1  TYR  11           HD1      TYR  11  -6.467  -0.652  -5.408
   99    HD2  TYR  11           HD2      TYR  11  -3.256  -2.637  -7.378
  100    HE1  TYR  11           HE1      TYR  11  -7.285  -2.812  -4.568
  101    HE2  TYR  11           HE2      TYR  11  -4.073  -4.791  -6.553
  102    HH   TYR  11           HH       TYR  11  -6.809  -4.996  -4.318
  103    H    CYS  12           H        CYS  12  -5.120   2.580  -5.288
  104    HA   CYS  12           HA       CYS  12  -5.285   1.733  -2.513
  105    HB2  CYS  12           HB2      CYS  12  -6.133   4.209  -3.981
  106    HB3  CYS  12           HB3      CYS  12  -6.669   3.896  -2.333
  107    H    SER  13           H        SER  13  -6.998   0.990  -1.472
  108    HA   SER  13           HA       SER  13  -9.644   1.021  -2.636
  109    HB2  SER  13           HB2      SER  13  -8.188  -1.591  -2.131
  110    HB3  SER  13           HB3      SER  13  -9.909  -1.447  -2.492
  111    HG   SER  13           HG       SER  13  -7.981  -0.322  -4.211
  112    H    ASN  14           H        ASN  14 -11.252   0.107  -1.112
  113    HA   ASN  14           HA       ASN  14 -11.074   1.193   1.423
  114    HB2  ASN  14           HB2      ASN  14 -13.101   0.093   1.915
  115    HB3  ASN  14           HB3      ASN  14 -13.138   0.285   0.166
  116   HD21  ASN  14          HD21      ASN  14 -13.968  -1.772   2.444
  117   HD22  ASN  14          HD22      ASN  14 -13.704  -3.284   1.646
  118    H    THR  15           H        THR  15 -10.199  -1.986   0.283
  119    HA   THR  15           HA       THR  15  -8.569  -2.452   2.627
  120    HB   THR  15           HB       THR  15  -9.566  -4.729   2.985
  121    HG1  THR  15           HG1      THR  15 -11.397  -3.687   1.096
  122   HG21  THR  15          HG21      THR  15 -11.621  -2.587   3.466
  123   HG22  THR  15          HG22      THR  15 -10.104  -2.655   4.363
  124   HG23  THR  15          HG23      THR  15 -11.246  -3.993   4.462
  125    H    CYS  16           H        CYS  16  -6.974  -4.059   2.235
  126    HA   CYS  16           HA       CYS  16  -6.699  -4.766  -0.606
  127    HB2  CYS  16           HB2      CYS  16  -4.589  -4.315   1.509
  128    HB3  CYS  16           HB3      CYS  16  -4.258  -4.846  -0.137
  129    H    SER  17           H        SER  17  -6.076  -6.809  -1.216
  130    HA   SER  17           HA       SER  17  -6.947  -8.964   0.344
  131    HB2  SER  17           HB2      SER  17  -6.630  -8.887  -2.188
  132    HB3  SER  17           HB3      SER  17  -4.912  -9.134  -1.889
  133    HG   SER  17           HG       SER  17  -7.073 -10.872  -1.299
  134    H    LYS  18           H        LYS  18  -5.741 -10.560   1.503
  135    HA   LYS  18           HA       LYS  18  -3.769  -9.635   3.187
  136    HB2  LYS  18           HB2      LYS  18  -4.143 -12.499   2.293
  137    HB3  LYS  18           HB3      LYS  18  -3.273 -11.978   3.728
  138    HG2  LYS  18           HG2      LYS  18  -6.220 -11.733   3.188
  139    HG3  LYS  18           HG3      LYS  18  -5.427 -12.745   4.392
  140    HD2  LYS  18           HD2      LYS  18  -5.524  -9.730   4.350
  141    HD3  LYS  18           HD3      LYS  18  -6.379 -10.798   5.461
  142    HE2  LYS  18           HE2      LYS  18  -4.238 -11.584   6.351
  143    HE3  LYS  18           HE3      LYS  18  -3.382 -10.520   5.237
  144    HZ1  LYS  18           HZ1      LYS  18  -5.264  -9.014   6.673
  145    HZ2  LYS  18           HZ2      LYS  18  -3.580  -8.881   6.686
  146    HZ3  LYS  18           HZ3      LYS  18  -4.356  -9.916   7.771
  147    H    THR  19           H        THR  19  -3.425 -11.210   0.074
  148    HA   THR  19           HA       THR  19  -0.674 -11.644   0.059
  149    HB   THR  19           HB       THR  19  -0.914 -11.375  -2.469
  150    HG1  THR  19           HG1      THR  19  -3.630 -11.532  -2.382
  151   HG21  THR  19          HG21      THR  19  -2.307 -13.311  -0.718
  152   HG22  THR  19          HG22      THR  19  -1.089 -13.582  -1.963
  153   HG23  THR  19          HG23      THR  19  -2.770 -13.319  -2.417
  154    H    GLN  20           H        GLN  20  -2.514  -8.747  -0.272
  155    HA   GLN  20           HA       GLN  20  -0.173  -7.206  -1.117
  156    HB2  GLN  20           HB2      GLN  20  -3.071  -6.380  -0.904
  157    HB3  GLN  20           HB3      GLN  20  -1.768  -5.413  -1.580
  158    HG2  GLN  20           HG2      GLN  20  -1.589  -6.746  -3.472
  159    HG3  GLN  20           HG3      GLN  20  -2.431  -8.098  -2.714
  160   HE21  GLN  20          HE21      GLN  20  -2.745  -5.692  -4.929
  161   HE22  GLN  20          HE22      GLN  20  -4.467  -5.561  -4.940
  162    H    ILE  21           H        ILE  21   0.817  -5.803   0.218
  163    HA   ILE  21           HA       ILE  21   0.279  -5.819   3.006
  164    HB   ILE  21           HB       ILE  21   1.987  -3.911   1.387
  165   HG12  ILE  21          HG12      ILE  21   2.796  -6.377   2.947
  166   HG13  ILE  21          HG13      ILE  21   2.619  -6.316   1.197
  167   HG21  ILE  21          HG21      ILE  21   2.021  -4.468   4.354
  168   HG22  ILE  21          HG22      ILE  21   1.389  -3.009   3.592
  169   HG23  ILE  21          HG23      ILE  21   3.108  -3.385   3.486
  170   HD11  ILE  21          HD11      ILE  21   4.903  -5.768   2.710
  171   HD12  ILE  21          HD12      ILE  21   4.362  -4.217   2.069
  172   HD13  ILE  21          HD13      ILE  21   4.682  -5.560   0.974
  173    H    TRP  22           H        TRP  22  -1.032  -4.513   4.185
  174    HA   TRP  22           HA       TRP  22  -2.761  -2.658   2.838
  175    HB2  TRP  22           HB2      TRP  22  -2.465  -3.449   5.736
  176    HB3  TRP  22           HB3      TRP  22  -3.612  -2.228   5.199
  177    HD1  TRP  22           HD1      TRP  22  -2.851  -5.711   3.659
  178    HE1  TRP  22           HE1      TRP  22  -5.079  -6.993   3.477
  179    HE3  TRP  22           HE3      TRP  22  -5.941  -2.273   5.830
  180    HZ2  TRP  22           HZ2      TRP  22  -7.784  -6.592   4.169
  181    HZ3  TRP  22           HZ3      TRP  22  -8.335  -2.792   6.023
  182    HH2  TRP  22           HH2      TRP  22  -9.237  -4.911   5.213
  183    H    ALA  23           H        ALA  23  -0.416  -1.698   2.281
  184    HA   ALA  23           HA       ALA  23   0.661   0.120   4.180
  185    HB1  ALA  23           HB1      ALA  23   1.533   1.010   1.744
  186    HB2  ALA  23           HB2      ALA  23   1.196  -0.690   1.425
  187    HB3  ALA  23           HB3      ALA  23   2.314  -0.240   2.712
  188    H    THR  24           H        THR  24  -0.470   1.834   4.876
  189    HA   THR  24           HA       THR  24  -2.381   3.136   3.121
  190    HB   THR  24           HB       THR  24  -1.577   3.847   5.949
  191    HG1  THR  24           HG1      THR  24  -3.038   1.804   4.982
  192   HG21  THR  24          HG21      THR  24  -4.006   4.649   4.339
  193   HG22  THR  24          HG22      THR  24  -2.634   5.695   4.702
  194   HG23  THR  24          HG23      THR  24  -3.664   5.107   6.007
  195    H    SER  25           H        SER  25  -1.551   4.458   1.650
  196    HA   SER  25           HA       SER  25   0.891   5.916   2.168
  197    HB2  SER  25           HB2      SER  25   0.298   6.712  -0.270
  198    HB3  SER  25           HB3      SER  25   0.938   5.095   0.020
  199    HG   SER  25           HG       SER  25  -1.152   5.498  -1.286
  200    H    HIS  26           H        HIS  26   1.075   8.159   2.232
  201    HA   HIS  26           HA       HIS  26  -0.859   9.620   3.515
  202    HB2  HIS  26           HB2      HIS  26   1.403  10.441   3.417
  203    HB3  HIS  26           HB3      HIS  26   1.331  10.584   1.665
  204    HD1  HIS  26           HD1      HIS  26  -0.544  12.043   4.649
  205    HD2  HIS  26           HD2      HIS  26   0.815  13.112   0.871
  206    HE1  HIS  26           HE1      HIS  26  -1.166  14.462   4.370
  207    HE2  HIS  26           HE2      HIS  26  -0.443  15.051   2.029
  208    H    GLY  27           H        GLY  27  -0.089   9.837   0.042
  209    HA2  GLY  27           HA2      GLY  27  -2.451  11.379  -0.505
  210    HA3  GLY  27           HA3      GLY  27  -1.308  10.760  -1.686
  211    H    CYS  28           H        CYS  28  -3.174   8.956   0.722
  212    HA   CYS  28           HA       CYS  28  -4.640   7.692  -1.492
  213    HB2  CYS  28           HB2      CYS  28  -2.846   6.209  -0.706
  214    HB3  CYS  28           HB3      CYS  28  -3.501   6.276   0.922
  215    H    LYS  29           H        LYS  29  -6.742   7.478  -1.230
  216    HA   LYS  29           HA       LYS  29  -8.109   8.844   0.818
  217    HB2  LYS  29           HB2      LYS  29  -9.000   8.526  -1.454
  218    HB3  LYS  29           HB3      LYS  29  -9.122   6.797  -1.167
  219    HG2  LYS  29           HG2      LYS  29 -10.725   7.288   0.671
  220    HG3  LYS  29           HG3      LYS  29 -10.688   8.982   0.181
  221    HD2  LYS  29           HD2      LYS  29 -11.424   8.283  -2.084
  222    HD3  LYS  29           HD3      LYS  29 -11.570   6.629  -1.487
  223    HE2  LYS  29           HE2      LYS  29 -13.098   9.036  -0.502
  224    HE3  LYS  29           HE3      LYS  29 -13.737   7.730  -1.493
  225    HZ1  LYS  29           HZ1      LYS  29 -13.770   7.854   1.229
  226    HZ2  LYS  29           HZ2      LYS  29 -12.523   6.765   0.902
  227    HZ3  LYS  29           HZ3      LYS  29 -14.072   6.481   0.295
  228    H    MET  30           H        MET  30  -7.008   5.596   0.477
  229    HA   MET  30           HA       MET  30  -7.908   4.944   3.164
  230    HB2  MET  30           HB2      MET  30  -8.626   3.219   0.775
  231    HB3  MET  30           HB3      MET  30  -8.952   2.833   2.459
  232    HG2  MET  30           HG2      MET  30 -10.553   4.556   2.647
  233    HG3  MET  30           HG3      MET  30 -10.074   5.266   1.107
  234    HE1  MET  30           HE1      MET  30 -10.809   4.349  -1.265
  235    HE2  MET  30           HE2      MET  30 -11.434   2.717  -1.493
  236    HE3  MET  30           HE3      MET  30  -9.804   2.956  -0.869
  237    H    TYR  31           H        TYR  31  -7.340   2.027   2.133
  238    HA   TYR  31           HA       TYR  31  -4.503   2.145   2.732
  239    HB2  TYR  31           HB2      TYR  31  -6.292  -0.244   2.209
  240    HB3  TYR  31           HB3      TYR  31  -4.616  -0.320   2.735
  241    HD1  TYR  31           HD1      TYR  31  -8.016   0.727   3.748
  242    HD2  TYR  31           HD2      TYR  31  -4.055  -0.154   5.018
  243    HE1  TYR  31           HE1      TYR  31  -8.768   0.737   6.083
  244    HE2  TYR  31           HE2      TYR  31  -4.795  -0.142   7.361
  245    HH   TYR  31           HH       TYR  31  -6.496   0.510   8.751
  246    H    CYS  32           H        CYS  32  -2.876   1.511   1.335
  247    HA   CYS  32           HA       CYS  32  -3.676   1.309  -1.477
  248    HB2  CYS  32           HB2      CYS  32  -1.928   3.073  -0.591
  249    HB3  CYS  32           HB3      CYS  32  -0.824   1.700  -0.630
  250    H    CYS  33           H        CYS  33  -3.138  -0.484  -2.614
  251    HA   CYS  33           HA       CYS  33  -2.246  -2.760  -1.029
  252    HB2  CYS  33           HB2      CYS  33  -3.510  -2.793  -3.772
  253    HB3  CYS  33           HB3      CYS  33  -3.368  -4.130  -2.636
  254    H    LEU  34           H        LEU  34  -0.436  -3.775  -1.406
  255    HA   LEU  34           HA       LEU  34   0.991  -3.447  -3.928
  256    HB2  LEU  34           HB2      LEU  34   2.130  -2.861  -1.194
  257    HB3  LEU  34           HB3      LEU  34   3.117  -3.108  -2.616
  258    HG   LEU  34           HG       LEU  34   1.015  -0.962  -2.545
  259   HD11  LEU  34          HD11      LEU  34   3.852  -0.300  -1.970
  260   HD12  LEU  34          HD12      LEU  34   2.863  -0.921  -0.649
  261   HD13  LEU  34          HD13      LEU  34   2.375   0.541  -1.504
  262   HD21  LEU  34          HD21      LEU  34   2.338  -0.001  -4.294
  263   HD22  LEU  34          HD22      LEU  34   2.041  -1.693  -4.687
  264   HD23  LEU  34          HD23      LEU  34   3.608  -1.200  -4.050
  265    HA   PRO  35           HA       PRO  35   1.212  -7.851  -3.481
  266    HB2  PRO  35           HB2      PRO  35   3.864  -7.471  -4.798
  267    HB3  PRO  35           HB3      PRO  35   2.545  -8.567  -5.222
  268    HG2  PRO  35           HG2      PRO  35   3.007  -6.332  -6.621
  269    HG3  PRO  35           HG3      PRO  35   1.365  -6.931  -6.340
  270    HD2  PRO  35           HD2      PRO  35   2.772  -4.620  -5.121
  271    HD3  PRO  35           HD3      PRO  35   1.040  -4.862  -5.420
  272    H    ALA  36           H        ALA  36   2.010  -9.149  -1.896
  273    HA   ALA  36           HA       ALA  36   3.470  -8.210   0.237
  274    HB1  ALA  36           HB1      ALA  36   3.928 -10.610   0.769
  275    HB2  ALA  36           HB2      ALA  36   3.231 -11.034  -0.795
  276    HB3  ALA  36           HB3      ALA  36   2.236 -10.252   0.433
  277    H    SER  37           H        SER  37   4.564  -9.264  -2.844
  278    HA   SER  37           HA       SER  37   7.274  -9.808  -2.197
  279    HB2  SER  37           HB2      SER  37   6.192 -10.629  -4.259
  280    HB3  SER  37           HB3      SER  37   6.046  -8.973  -4.839
  281    HG   SER  37           HG       SER  37   8.286  -8.833  -4.936
  282    H    TRP  38           H        TRP  38   5.503  -6.937  -3.132
  283    HA   TRP  38           HA       TRP  38   7.372  -5.132  -3.878
  284    HB2  TRP  38           HB2      TRP  38   5.060  -4.500  -3.726
  285    HB3  TRP  38           HB3      TRP  38   5.062  -4.740  -1.985
  286    HD1  TRP  38           HD1      TRP  38   6.954  -2.442  -4.491
  287    HE1  TRP  38           HE1      TRP  38   7.178  -0.122  -3.396
  288    HE3  TRP  38           HE3      TRP  38   4.779  -3.471   0.008
  289    HZ2  TRP  38           HZ2      TRP  38   6.508   1.107  -0.930
  290    HZ3  TRP  38           HZ3      TRP  38   4.605  -1.676   1.682
  291    HH2  TRP  38           HH2      TRP  38   5.455   0.563   1.219
  292    H    LYS  39           H        LYS  39   8.933  -3.910  -2.961
  293    HA   LYS  39           HA       LYS  39   9.858  -4.741  -0.342
  294    HB2  LYS  39           HB2      LYS  39  11.113  -2.958  -2.435
  295    HB3  LYS  39           HB3      LYS  39  11.865  -3.353  -0.895
  296    HG2  LYS  39           HG2      LYS  39  11.127  -5.321  -3.055
  297    HG3  LYS  39           HG3      LYS  39  12.751  -4.732  -2.694
  298    HD2  LYS  39           HD2      LYS  39  12.627  -5.724  -0.467
  299    HD3  LYS  39           HD3      LYS  39  10.988  -6.282  -0.795
  300    HE2  LYS  39           HE2      LYS  39  11.840  -7.675  -2.627
  301    HE3  LYS  39           HE3      LYS  39  13.479  -7.133  -2.268
  302    HZ1  LYS  39           HZ1      LYS  39  13.491  -8.274  -0.257
  303    HZ2  LYS  39           HZ2      LYS  39  12.721  -9.350  -1.309
  304    HZ3  LYS  39           HZ3      LYS  39  11.812  -8.444  -0.214
  305    H    TRP  40           H        TRP  40   9.145  -3.780   1.361
  306    HA   TRP  40           HA       TRP  40   7.950  -1.184   1.270
  307    HB2  TRP  40           HB2      TRP  40   7.007  -2.960   2.662
  308    HB3  TRP  40           HB3      TRP  40   8.499  -3.049   3.586
  309    HD1  TRP  40           HD1      TRP  40   6.927  -2.577   5.753
  310    HE1  TRP  40           HE1      TRP  40   6.133  -0.360   6.778
  311    HE3  TRP  40           HE3      TRP  40   7.749   0.528   1.757
  312    HZ2  TRP  40           HZ2      TRP  40   5.880   2.328   6.007
  313    HZ3  TRP  40           HZ3      TRP  40   7.206   2.911   1.997
  314    HH2  TRP  40           HH2      TRP  40   6.294   3.793   4.079
  315    H    LYS  41           H        LYS  41   9.294  -1.159   4.221
  316    HA   LYS  41           HA       LYS  41  11.193   0.874   3.529
  317    HB2  LYS  41           HB2      LYS  41  10.417  -0.392   6.159
  318    HB3  LYS  41           HB3      LYS  41  11.631   0.870   6.022
  319    HG2  LYS  41           HG2      LYS  41  10.037   2.451   5.273
  320    HG3  LYS  41           HG3      LYS  41   8.816   1.206   5.048
  321    HD2  LYS  41           HD2      LYS  41   8.344   2.463   7.066
  322    HD3  LYS  41           HD3      LYS  41   8.796   0.810   7.483
  323    HE2  LYS  41           HE2      LYS  41  10.745   3.107   7.499
  324    HE3  LYS  41           HE3      LYS  41   9.813   2.627   8.912
  325    HZ1  LYS  41           HZ1      LYS  41  10.843   0.303   8.339
  326    HZ2  LYS  41           HZ2      LYS  41  11.704   1.439   9.243
  327    HZ3  LYS  41           HZ3      LYS  41  12.037   1.246   7.601
  Start of MODEL    8
    1    H1   LEU   1           H1       LEU   1   5.145   2.888   8.503
    2    H2   LEU   1           H2       LEU   1   5.225   1.271   8.975
    3    H3   LEU   1           H3       LEU   1   3.813   2.154   9.234
    4    HA   LEU   1           HA       LEU   1   4.943   1.303   6.646
    5    HB2  LEU   1           HB2      LEU   1   3.693  -0.336   8.083
    6    HB3  LEU   1           HB3      LEU   1   2.292   0.708   7.964
    7    HG   LEU   1           HG       LEU   1   2.192   0.337   5.551
    8   HD11  LEU   1          HD11      LEU   1   3.657  -1.562   4.662
    9   HD12  LEU   1          HD12      LEU   1   4.692  -1.236   6.052
   10   HD13  LEU   1          HD13      LEU   1   4.396   0.026   4.857
   11   HD21  LEU   1          HD21      LEU   1   1.111  -1.222   7.235
   12   HD22  LEU   1          HD22      LEU   1   2.442  -2.332   6.912
   13   HD23  LEU   1          HD23      LEU   1   1.348  -1.865   5.610
   14    H    VAL   2           H        VAL   2   4.706   4.056   7.240
   15    HA   VAL   2           HA       VAL   2   2.229   4.949   5.999
   16    HB   VAL   2           HB       VAL   2   4.548   6.574   7.059
   17   HG11  VAL   2          HG11      VAL   2   2.732   8.388   7.025
   18   HG12  VAL   2          HG12      VAL   2   1.881   7.322   5.907
   19   HG13  VAL   2          HG13      VAL   2   3.480   7.939   5.493
   20   HG21  VAL   2          HG21      VAL   2   2.982   7.102   8.919
   21   HG22  VAL   2          HG22      VAL   2   3.483   5.412   8.870
   22   HG23  VAL   2          HG23      VAL   2   1.884   5.874   8.287
   23    H    LEU   3           H        LEU   3   2.087   5.765   3.986
   24    HA   LEU   3           HA       LEU   3   4.506   5.726   2.316
   25    HB2  LEU   3           HB2      LEU   3   1.666   4.954   1.824
   26    HB3  LEU   3           HB3      LEU   3   2.659   5.463   0.489
   27    HG   LEU   3           HG       LEU   3   4.107   3.593   0.727
   28   HD11  LEU   3          HD11      LEU   3   4.318   3.527   3.141
   29   HD12  LEU   3          HD12      LEU   3   3.850   1.944   2.529
   30   HD13  LEU   3          HD13      LEU   3   2.649   2.985   3.297
   31   HD21  LEU   3          HD21      LEU   3   2.455   1.701   0.633
   32   HD22  LEU   3          HD22      LEU   3   2.110   3.059  -0.438
   33   HD23  LEU   3          HD23      LEU   3   1.208   2.876   1.065
   34    H    LYS   4           H        LYS   4   5.065   7.564   1.362
   35    HA   LYS   4           HA       LYS   4   3.701  10.010   1.767
   36    HB2  LYS   4           HB2      LYS   4   5.872   9.141  -0.138
   37    HB3  LYS   4           HB3      LYS   4   5.215  10.766  -0.180
   38    HG2  LYS   4           HG2      LYS   4   7.256  10.736   1.099
   39    HG3  LYS   4           HG3      LYS   4   5.893  11.074   2.165
   40    HD2  LYS   4           HD2      LYS   4   7.315   9.506   3.271
   41    HD3  LYS   4           HD3      LYS   4   5.859   8.654   2.766
   42    HE2  LYS   4           HE2      LYS   4   7.799   7.289   2.314
   43    HE3  LYS   4           HE3      LYS   4   7.066   7.804   0.796
   44    HZ1  LYS   4           HZ1      LYS   4   9.159   8.371   0.296
   45    HZ2  LYS   4           HZ2      LYS   4   9.654   8.448   1.909
   46    HZ3  LYS   4           HZ3      LYS   4   8.842   9.752   1.210
   47    H    TYR   5           H        TYR   5   3.563   7.477  -0.488
   48    HA   TYR   5           HA       TYR   5   1.089   8.274  -1.604
   49    HB2  TYR   5           HB2      TYR   5   1.816   8.585  -3.922
   50    HB3  TYR   5           HB3      TYR   5   2.556   9.793  -2.884
   51    HD1  TYR   5           HD1      TYR   5   3.169   6.668  -4.742
   52    HD2  TYR   5           HD2      TYR   5   4.930   9.917  -2.630
   53    HE1  TYR   5           HE1      TYR   5   5.380   6.005  -5.579
   54    HE2  TYR   5           HE2      TYR   5   7.146   9.265  -3.474
   55    HH   TYR   5           HH       TYR   5   7.890   7.821  -5.769
   56    H    CYS   6           H        CYS   6   0.166   6.613  -2.768
   57    HA   CYS   6           HA       CYS   6   1.187   4.020  -2.169
   58    HB2  CYS   6           HB2      CYS   6  -1.235   4.646  -2.234
   59    HB3  CYS   6           HB3      CYS   6  -1.116   4.763  -3.981
   60    HA   PRO   7           HA       PRO   7   4.017   3.889  -5.658
   61    HB2  PRO   7           HB2      PRO   7   3.592   0.978  -5.094
   62    HB3  PRO   7           HB3      PRO   7   5.097   1.852  -5.407
   63    HG2  PRO   7           HG2      PRO   7   4.439   1.170  -2.928
   64    HG3  PRO   7           HG3      PRO   7   5.176   2.745  -3.262
   65    HD2  PRO   7           HD2      PRO   7   2.351   2.079  -2.601
   66    HD3  PRO   7           HD3      PRO   7   3.291   3.533  -2.214
   67    H    LYS   8           H        LYS   8   3.646   3.745  -7.782
   68    HA   LYS   8           HA       LYS   8   1.213   3.616  -8.942
   69    HB2  LYS   8           HB2      LYS   8   3.343   4.262 -10.058
   70    HB3  LYS   8           HB3      LYS   8   3.746   2.559 -10.204
   71    HG2  LYS   8           HG2      LYS   8   1.780   2.211 -11.614
   72    HG3  LYS   8           HG3      LYS   8   1.375   3.921 -11.463
   73    HD2  LYS   8           HD2      LYS   8   2.477   3.820 -13.506
   74    HD3  LYS   8           HD3      LYS   8   3.745   4.336 -12.397
   75    HE2  LYS   8           HE2      LYS   8   3.277   1.510 -13.341
   76    HE3  LYS   8           HE3      LYS   8   4.518   2.598 -13.952
   77    HZ1  LYS   8           HZ1      LYS   8   4.349   1.271 -11.330
   78    HZ2  LYS   8           HZ2      LYS   8   5.253   2.688 -11.504
   79    HZ3  LYS   8           HZ3      LYS   8   5.637   1.320 -12.415
   80    H    ILE   9           H        ILE   9   3.296   0.874  -8.226
   81    HA   ILE   9           HA       ILE   9   1.807  -1.092  -9.585
   82    HB   ILE   9           HB       ILE   9   4.106  -1.485  -8.865
   83   HG12  ILE   9          HG12      ILE   9   2.147  -3.391  -7.557
   84   HG13  ILE   9          HG13      ILE   9   2.638  -3.423  -9.248
   85   HG21  ILE   9          HG21      ILE   9   3.827  -0.245  -6.682
   86   HG22  ILE   9          HG22      ILE   9   4.768  -1.733  -6.609
   87   HG23  ILE   9          HG23      ILE   9   3.100  -1.717  -6.039
   88   HD11  ILE   9          HD11      ILE   9   3.804  -5.124  -8.009
   89   HD12  ILE   9          HD12      ILE   9   4.401  -3.926  -6.862
   90   HD13  ILE   9          HD13      ILE   9   4.945  -3.889  -8.539
   91    H    GLY  10           H        GLY  10   1.586   0.192  -6.311
   92    HA2  GLY  10           HA2      GLY  10  -0.221  -1.747  -5.327
   93    HA3  GLY  10           HA3      GLY  10   0.073  -0.165  -4.629
   94    H    TYR  11           H        TYR  11  -2.263  -0.479  -4.172
   95    HA   TYR  11           HA       TYR  11  -3.830   0.984  -6.130
   96    HB2  TYR  11           HB2      TYR  11  -4.864  -1.632  -5.015
   97    HB3  TYR  11           HB3      TYR  11  -5.685  -0.575  -6.147
   98    HD1  TYR  11           HD1      TYR  11  -2.654  -2.726  -5.821
   99    HD2  TYR  11           HD2      TYR  11  -5.540  -1.001  -8.427
  100    HE1  TYR  11           HE1      TYR  11  -1.785  -4.085  -7.675
  101    HE2  TYR  11           HE2      TYR  11  -4.688  -2.362 -10.285
  102    HH   TYR  11           HH       TYR  11  -1.788  -3.844 -10.308
  103    H    CYS  12           H        CYS  12  -5.427   2.230  -5.108
  104    HA   CYS  12           HA       CYS  12  -5.358   2.148  -2.177
  105    HB2  CYS  12           HB2      CYS  12  -6.697   4.207  -3.946
  106    HB3  CYS  12           HB3      CYS  12  -6.387   4.336  -2.223
  107    H    SER  13           H        SER  13  -6.866   0.906  -1.227
  108    HA   SER  13           HA       SER  13  -9.623   1.110  -2.104
  109    HB2  SER  13           HB2      SER  13  -9.723  -1.496  -2.089
  110    HB3  SER  13           HB3      SER  13  -9.125  -0.664  -3.524
  111    HG   SER  13           HG       SER  13  -7.381  -1.536  -1.471
  112    H    ASN  14           H        ASN  14 -11.132   0.144  -0.671
  113    HA   ASN  14           HA       ASN  14 -10.745   0.759   1.999
  114    HB2  ASN  14           HB2      ASN  14 -12.748  -1.284   1.058
  115    HB3  ASN  14           HB3      ASN  14 -12.892  -0.151   2.396
  116   HD21  ASN  14          HD21      ASN  14 -14.286   1.400   1.988
  117   HD22  ASN  14          HD22      ASN  14 -14.564   2.141   0.450
  118    H    THR  15           H        THR  15 -10.522  -2.394   0.406
  119    HA   THR  15           HA       THR  15  -8.928  -3.384   2.621
  120    HB   THR  15           HB       THR  15 -10.348  -5.464   2.789
  121    HG1  THR  15           HG1      THR  15 -11.618  -4.373   0.772
  122   HG21  THR  15          HG21      THR  15 -11.696  -4.591   4.473
  123   HG22  THR  15          HG22      THR  15 -11.970  -3.082   3.606
  124   HG23  THR  15          HG23      THR  15 -10.406  -3.397   4.355
  125    H    CYS  16           H        CYS  16  -7.863  -5.438   2.103
  126    HA   CYS  16           HA       CYS  16  -7.994  -6.331  -0.650
  127    HB2  CYS  16           HB2      CYS  16  -5.557  -4.986   0.509
  128    HB3  CYS  16           HB3      CYS  16  -5.545  -5.901  -0.994
  129    H    SER  17           H        SER  17  -6.771  -8.230  -1.079
  130    HA   SER  17           HA       SER  17  -6.917 -10.219   0.814
  131    HB2  SER  17           HB2      SER  17  -4.876 -10.166  -1.417
  132    HB3  SER  17           HB3      SER  17  -5.687 -11.569  -0.724
  133    HG   SER  17           HG       SER  17  -6.500  -9.916  -2.720
  134    H    LYS  18           H        LYS  18  -5.549 -11.048   2.351
  135    HA   LYS  18           HA       LYS  18  -3.801  -9.469   3.735
  136    HB2  LYS  18           HB2      LYS  18  -4.779 -11.769   4.341
  137    HB3  LYS  18           HB3      LYS  18  -3.391 -12.448   3.512
  138    HG2  LYS  18           HG2      LYS  18  -3.254 -10.585   5.876
  139    HG3  LYS  18           HG3      LYS  18  -3.104 -12.339   5.951
  140    HD2  LYS  18           HD2      LYS  18  -1.144 -12.115   4.369
  141    HD3  LYS  18           HD3      LYS  18  -1.239 -10.376   4.638
  142    HE2  LYS  18           HE2      LYS  18  -0.935 -10.731   7.039
  143    HE3  LYS  18           HE3      LYS  18  -0.816 -12.468   6.761
  144    HZ1  LYS  18           HZ1      LYS  18   1.060 -11.608   5.111
  145    HZ2  LYS  18           HZ2      LYS  18   1.367 -11.974   6.731
  146    HZ3  LYS  18           HZ3      LYS  18   1.135 -10.369   6.258
  147    H    THR  19           H        THR  19  -3.041 -11.714   1.115
  148    HA   THR  19           HA       THR  19  -0.311 -11.666   1.100
  149    HB   THR  19           HB       THR  19  -0.669 -11.632  -1.532
  150    HG1  THR  19           HG1      THR  19  -2.725 -11.929  -2.152
  151   HG21  THR  19          HG21      THR  19  -1.795 -13.913   0.087
  152   HG22  THR  19          HG22      THR  19  -0.069 -13.577  -0.033
  153   HG23  THR  19          HG23      THR  19  -0.991 -13.990  -1.479
  154    H    GLN  20           H        GLN  20  -2.533  -9.208  -0.088
  155    HA   GLN  20           HA       GLN  20  -0.397  -7.497  -1.003
  156    HB2  GLN  20           HB2      GLN  20  -3.369  -7.019  -0.710
  157    HB3  GLN  20           HB3      GLN  20  -2.243  -5.838  -1.364
  158    HG2  GLN  20           HG2      GLN  20  -1.683  -7.402  -3.175
  159    HG3  GLN  20           HG3      GLN  20  -2.863  -8.544  -2.530
  160   HE21  GLN  20          HE21      GLN  20  -2.436  -6.378  -4.892
  161   HE22  GLN  20          HE22      GLN  20  -4.064  -5.844  -5.125
  162    H    ILE  21           H        ILE  21   0.574  -5.923   0.167
  163    HA   ILE  21           HA       ILE  21   0.113  -5.819   2.988
  164    HB   ILE  21           HB       ILE  21   1.865  -4.097   1.224
  165   HG12  ILE  21          HG12      ILE  21   2.513  -6.437   3.032
  166   HG13  ILE  21          HG13      ILE  21   2.499  -6.469   1.274
  167   HG21  ILE  21          HG21      ILE  21   1.084  -3.153   3.519
  168   HG22  ILE  21          HG22      ILE  21   2.792  -3.084   3.097
  169   HG23  ILE  21          HG23      ILE  21   2.204  -4.335   4.191
  170   HD11  ILE  21          HD11      ILE  21   4.232  -4.394   2.325
  171   HD12  ILE  21          HD12      ILE  21   4.563  -5.670   1.156
  172   HD13  ILE  21          HD13      ILE  21   4.677  -6.006   2.882
  173    H    TRP  22           H        TRP  22  -1.273  -4.578   4.053
  174    HA   TRP  22           HA       TRP  22  -2.867  -2.593   2.690
  175    HB2  TRP  22           HB2      TRP  22  -2.797  -3.528   5.565
  176    HB3  TRP  22           HB3      TRP  22  -3.916  -2.314   4.960
  177    HD1  TRP  22           HD1      TRP  22  -3.015  -5.664   3.250
  178    HE1  TRP  22           HE1      TRP  22  -5.182  -7.025   2.979
  179    HE3  TRP  22           HE3      TRP  22  -6.226  -2.522   5.647
  180    HZ2  TRP  22           HZ2      TRP  22  -7.909  -6.780   3.698
  181    HZ3  TRP  22           HZ3      TRP  22  -8.592  -3.137   5.802
  182    HH2  TRP  22           HH2      TRP  22  -9.419  -5.230   4.853
  183    H    ALA  23           H        ALA  23  -0.406  -1.716   2.416
  184    HA   ALA  23           HA       ALA  23   0.683  -0.180   4.494
  185    HB1  ALA  23           HB1      ALA  23   2.062   0.837   2.819
  186    HB2  ALA  23           HB2      ALA  23   0.955   0.343   1.539
  187    HB3  ALA  23           HB3      ALA  23   1.879  -0.871   2.425
  188    H    THR  24           H        THR  24   0.282   1.820   5.238
  189    HA   THR  24           HA       THR  24  -2.112   3.156   4.313
  190    HB   THR  24           HB       THR  24  -0.159   3.870   6.519
  191    HG1  THR  24           HG1      THR  24  -2.794   2.780   6.686
  192   HG21  THR  24          HG21      THR  24  -1.837   5.435   7.310
  193   HG22  THR  24          HG22      THR  24  -2.903   5.009   5.971
  194   HG23  THR  24          HG23      THR  24  -1.380   5.840   5.656
  195    H    SER  25           H        SER  25  -2.085   4.717   2.779
  196    HA   SER  25           HA       SER  25   0.377   6.285   2.465
  197    HB2  SER  25           HB2      SER  25   0.301   4.601   0.656
  198    HB3  SER  25           HB3      SER  25  -1.267   5.214   0.170
  199    HG   SER  25           HG       SER  25   1.152   6.690   0.225
  200    H    HIS  26           H        HIS  26   0.065   8.432   2.300
  201    HA   HIS  26           HA       HIS  26  -2.422   9.591   2.842
  202    HB2  HIS  26           HB2      HIS  26   0.054  10.793   1.588
  203    HB3  HIS  26           HB3      HIS  26  -1.347  11.738   2.079
  204    HD1  HIS  26           HD1      HIS  26   0.881  12.743   3.524
  205    HD2  HIS  26           HD2      HIS  26  -0.928   9.217   4.778
  206    HE1  HIS  26           HE1      HIS  26   1.559  12.453   5.926
  207    HE2  HIS  26           HE2      HIS  26   0.353  10.380   6.698
  208    H    GLY  27           H        GLY  27  -0.813   8.771  -0.138
  209    HA2  GLY  27           HA2      GLY  27  -2.719  10.103  -1.836
  210    HA3  GLY  27           HA3      GLY  27  -1.439   9.018  -2.348
  211    H    CYS  28           H        CYS  28  -3.947   8.307   0.013
  212    HA   CYS  28           HA       CYS  28  -5.493   6.726  -1.854
  213    HB2  CYS  28           HB2      CYS  28  -3.937   5.452   0.405
  214    HB3  CYS  28           HB3      CYS  28  -5.312   4.678  -0.368
  215    H    LYS  29           H        LYS  29  -7.585   6.923  -1.292
  216    HA   LYS  29           HA       LYS  29  -8.425   8.332   0.995
  217    HB2  LYS  29           HB2      LYS  29 -10.063   6.315  -0.556
  218    HB3  LYS  29           HB3      LYS  29 -10.673   7.634   0.427
  219    HG2  LYS  29           HG2      LYS  29  -9.882   9.255  -1.140
  220    HG3  LYS  29           HG3      LYS  29  -9.047   8.011  -2.075
  221    HD2  LYS  29           HD2      LYS  29 -11.212   6.937  -2.544
  222    HD3  LYS  29           HD3      LYS  29 -12.026   8.226  -1.653
  223    HE2  LYS  29           HE2      LYS  29 -11.123   9.870  -3.247
  224    HE3  LYS  29           HE3      LYS  29 -10.366   8.558  -4.148
  225    HZ1  LYS  29           HZ1      LYS  29 -12.267   8.659  -5.310
  226    HZ2  LYS  29           HZ2      LYS  29 -13.142   9.381  -4.057
  227    HZ3  LYS  29           HZ3      LYS  29 -12.883   7.710  -4.055
  228    H    MET  30           H        MET  30  -8.184   4.936   0.215
  229    HA   MET  30           HA       MET  30  -8.708   4.213   3.016
  230    HB2  MET  30           HB2      MET  30  -8.858   2.507   0.521
  231    HB3  MET  30           HB3      MET  30  -9.252   1.980   2.152
  232    HG2  MET  30           HG2      MET  30 -10.690   4.148   0.642
  233    HG3  MET  30           HG3      MET  30 -11.236   2.480   0.793
  234    HE1  MET  30           HE1      MET  30 -13.175   5.274   2.228
  235    HE2  MET  30           HE2      MET  30 -13.885   3.798   2.882
  236    HE3  MET  30           HE3      MET  30 -13.269   3.825   1.229
  237    H    TYR  31           H        TYR  31  -7.512   1.494   2.088
  238    HA   TYR  31           HA       TYR  31  -4.820   2.104   2.969
  239    HB2  TYR  31           HB2      TYR  31  -6.050  -0.564   2.227
  240    HB3  TYR  31           HB3      TYR  31  -4.495  -0.325   3.008
  241    HD1  TYR  31           HD1      TYR  31  -8.145   0.173   3.475
  242    HD2  TYR  31           HD2      TYR  31  -4.347  -0.289   5.331
  243    HE1  TYR  31           HE1      TYR  31  -9.251  -0.075   5.653
  244    HE2  TYR  31           HE2      TYR  31  -5.443  -0.540   7.521
  245    HH   TYR  31           HH       TYR  31  -8.060   0.383   8.395
  246    H    CYS  32           H        CYS  32  -2.952   1.341   1.851
  247    HA   CYS  32           HA       CYS  32  -3.250   1.369  -1.072
  248    HB2  CYS  32           HB2      CYS  32  -1.698   3.074  -0.332
  249    HB3  CYS  32           HB3      CYS  32  -0.846   1.927   0.689
  250    H    CYS  33           H        CYS  33  -3.311  -0.565  -1.894
  251    HA   CYS  33           HA       CYS  33  -2.147  -2.825  -0.466
  252    HB2  CYS  33           HB2      CYS  33  -4.012  -2.906  -2.821
  253    HB3  CYS  33           HB3      CYS  33  -3.715  -4.160  -1.617
  254    H    LEU  34           H        LEU  34  -0.512  -3.965  -1.250
  255    HA   LEU  34           HA       LEU  34   0.205  -3.758  -4.071
  256    HB2  LEU  34           HB2      LEU  34   2.314  -3.497  -1.940
  257    HB3  LEU  34           HB3      LEU  34   2.469  -3.207  -3.658
  258    HG   LEU  34           HG       LEU  34   0.678  -1.315  -3.130
  259   HD11  LEU  34          HD11      LEU  34   1.417  -0.277  -0.921
  260   HD12  LEU  34          HD12      LEU  34   2.029  -1.882  -0.524
  261   HD13  LEU  34          HD13      LEU  34   0.314  -1.650  -0.854
  262   HD21  LEU  34          HD21      LEU  34   3.263  -0.350  -2.266
  263   HD22  LEU  34          HD22      LEU  34   2.347   0.023  -3.724
  264   HD23  LEU  34          HD23      LEU  34   3.392  -1.395  -3.680
  265    HA   PRO  35           HA       PRO  35   0.539  -8.145  -3.864
  266    HB2  PRO  35           HB2      PRO  35   3.150  -7.703  -5.251
  267    HB3  PRO  35           HB3      PRO  35   1.836  -8.810  -5.659
  268    HG2  PRO  35           HG2      PRO  35   2.207  -6.517  -6.994
  269    HG3  PRO  35           HG3      PRO  35   0.590  -7.169  -6.682
  270    HD2  PRO  35           HD2      PRO  35   1.948  -4.836  -5.473
  271    HD3  PRO  35           HD3      PRO  35   0.215  -5.170  -5.650
  272    H    ALA  36           H        ALA  36   1.514  -9.661  -2.555
  273    HA   ALA  36           HA       ALA  36   2.975  -8.881  -0.340
  274    HB1  ALA  36           HB1      ALA  36   3.522 -11.626  -1.225
  275    HB2  ALA  36           HB2      ALA  36   1.811 -11.211  -1.146
  276    HB3  ALA  36           HB3      ALA  36   2.826 -11.038   0.284
  277    H    SER  37           H        SER  37   4.030  -9.902  -3.505
  278    HA   SER  37           HA       SER  37   6.758 -10.296  -3.002
  279    HB2  SER  37           HB2      SER  37   5.546  -9.235  -5.562
  280    HB3  SER  37           HB3      SER  37   7.045 -10.151  -5.386
  281    HG   SER  37           HG       SER  37   5.607 -11.848  -4.467
  282    H    TRP  38           H        TRP  38   4.870  -7.434  -3.293
  283    HA   TRP  38           HA       TRP  38   6.611  -5.481  -4.097
  284    HB2  TRP  38           HB2      TRP  38   4.230  -5.113  -3.500
  285    HB3  TRP  38           HB3      TRP  38   4.662  -5.287  -1.806
  286    HD1  TRP  38           HD1      TRP  38   5.890  -2.993  -4.704
  287    HE1  TRP  38           HE1      TRP  38   6.113  -0.609  -3.758
  288    HE3  TRP  38           HE3      TRP  38   4.526  -3.910   0.127
  289    HZ2  TRP  38           HZ2      TRP  38   5.751   0.708  -1.271
  290    HZ3  TRP  38           HZ3      TRP  38   4.486  -2.045   1.727
  291    HH2  TRP  38           HH2      TRP  38   5.088   0.217   1.038
  292    H    LYS  39           H        LYS  39   8.272  -4.396  -3.229
  293    HA   LYS  39           HA       LYS  39   9.398  -5.439  -0.741
  294    HB2  LYS  39           HB2      LYS  39  10.650  -3.643  -2.831
  295    HB3  LYS  39           HB3      LYS  39  11.469  -4.299  -1.422
  296    HG2  LYS  39           HG2      LYS  39  10.363  -5.852  -3.748
  297    HG3  LYS  39           HG3      LYS  39  12.064  -5.579  -3.363
  298    HD2  LYS  39           HD2      LYS  39  11.764  -6.820  -1.259
  299    HD3  LYS  39           HD3      LYS  39  10.080  -7.118  -1.690
  300    HE2  LYS  39           HE2      LYS  39  11.375  -9.064  -2.232
  301    HE3  LYS  39           HE3      LYS  39  10.856  -8.290  -3.725
  302    HZ1  LYS  39           HZ1      LYS  39  13.244  -9.052  -3.603
  303    HZ2  LYS  39           HZ2      LYS  39  13.507  -7.776  -2.531
  304    HZ3  LYS  39           HZ3      LYS  39  12.995  -7.462  -4.110
  305    H    TRP  40           H        TRP  40   9.097  -4.360   1.066
  306    HA   TRP  40           HA       TRP  40   7.982  -1.719   0.963
  307    HB2  TRP  40           HB2      TRP  40   7.127  -3.390   2.552
  308    HB3  TRP  40           HB3      TRP  40   8.694  -3.437   3.343
  309    HD1  TRP  40           HD1      TRP  40   7.488  -2.708   5.626
  310    HE1  TRP  40           HE1      TRP  40   6.763  -0.408   6.511
  311    HE3  TRP  40           HE3      TRP  40   7.608  -0.039   1.240
  312    HZ2  TRP  40           HZ2      TRP  40   6.300   2.170   5.501
  313    HZ3  TRP  40           HZ3      TRP  40   7.012   2.338   1.306
  314    HH2  TRP  40           HH2      TRP  40   6.375   3.423   3.395
  315    H    LYS  41           H        LYS  41   9.571  -1.481   3.728
  316    HA   LYS  41           HA       LYS  41  11.669   0.159   2.567
  317    HB2  LYS  41           HB2      LYS  41  10.710  -0.204   5.409
  318    HB3  LYS  41           HB3      LYS  41  12.050   0.842   4.958
  319    HG2  LYS  41           HG2      LYS  41  10.597   2.223   3.635
  320    HG3  LYS  41           HG3      LYS  41   9.248   1.123   3.900
  321    HD2  LYS  41           HD2      LYS  41   9.039   3.056   5.347
  322    HD3  LYS  41           HD3      LYS  41   9.345   1.612   6.310
  323    HE2  LYS  41           HE2      LYS  41  10.652   3.521   7.104
  324    HE3  LYS  41           HE3      LYS  41  11.690   2.224   6.517
  325    HZ1  LYS  41           HZ1      LYS  41  11.869   4.816   5.794
  326    HZ2  LYS  41           HZ2      LYS  41  10.996   4.157   4.506
  327    HZ3  LYS  41           HZ3      LYS  41  12.507   3.521   4.917
  Start of MODEL    9
    1    H1   LEU   1           H1       LEU   1   2.938   3.126  10.279
    2    H2   LEU   1           H2       LEU   1   3.109   1.459  10.481
    3    H3   LEU   1           H3       LEU   1   1.714   2.082   9.766
    4    HA   LEU   1           HA       LEU   1   4.433   2.282   8.620
    5    HB2  LEU   1           HB2      LEU   1   3.540  -0.015   8.716
    6    HB3  LEU   1           HB3      LEU   1   2.077   0.520   7.918
    7    HG   LEU   1           HG       LEU   1   4.814   0.616   6.663
    8   HD11  LEU   1          HD11      LEU   1   4.216  -1.685   7.049
    9   HD12  LEU   1          HD12      LEU   1   4.029  -1.317   5.335
   10   HD13  LEU   1          HD13      LEU   1   2.609  -1.417   6.376
   11   HD21  LEU   1          HD21      LEU   1   3.231   0.668   4.586
   12   HD22  LEU   1          HD22      LEU   1   3.594   2.150   5.466
   13   HD23  LEU   1          HD23      LEU   1   2.066   1.313   5.742
   14    H    VAL   2           H        VAL   2   4.541   3.998   7.253
   15    HA   VAL   2           HA       VAL   2   2.077   4.784   5.853
   16    HB   VAL   2           HB       VAL   2   4.031   6.708   7.116
   17   HG11  VAL   2          HG11      VAL   2   2.124   8.330   6.422
   18   HG12  VAL   2          HG12      VAL   2   1.714   7.072   5.258
   19   HG13  VAL   2          HG13      VAL   2   3.309   7.823   5.220
   20   HG21  VAL   2          HG21      VAL   2   2.719   5.887   8.870
   21   HG22  VAL   2          HG22      VAL   2   1.267   5.806   7.871
   22   HG23  VAL   2          HG23      VAL   2   1.899   7.371   8.383
   23    H    LEU   3           H        LEU   3   2.276   5.298   3.763
   24    HA   LEU   3           HA       LEU   3   4.947   5.142   2.550
   25    HB2  LEU   3           HB2      LEU   3   2.178   4.524   1.594
   26    HB3  LEU   3           HB3      LEU   3   3.410   4.949   0.433
   27    HG   LEU   3           HG       LEU   3   4.719   3.031   0.979
   28   HD11  LEU   3          HD11      LEU   3   2.759   2.555   3.216
   29   HD12  LEU   3          HD12      LEU   3   4.456   3.003   3.378
   30   HD13  LEU   3          HD13      LEU   3   4.022   1.430   2.710
   31   HD21  LEU   3          HD21      LEU   3   2.835   1.214   0.770
   32   HD22  LEU   3          HD22      LEU   3   3.167   2.331  -0.554
   33   HD23  LEU   3          HD23      LEU   3   1.804   2.627   0.527
   34    H    LYS   4           H        LYS   4   5.770   6.861   1.467
   35    HA   LYS   4           HA       LYS   4   4.786   9.440   1.747
   36    HB2  LYS   4           HB2      LYS   4   6.616   8.234  -0.270
   37    HB3  LYS   4           HB3      LYS   4   6.248   9.943  -0.284
   38    HG2  LYS   4           HG2      LYS   4   7.449   8.495   2.060
   39    HG3  LYS   4           HG3      LYS   4   8.386   9.339   0.827
   40    HD2  LYS   4           HD2      LYS   4   7.183  11.417   1.369
   41    HD3  LYS   4           HD3      LYS   4   6.313  10.563   2.644
   42    HE2  LYS   4           HE2      LYS   4   8.362  10.156   3.837
   43    HE3  LYS   4           HE3      LYS   4   9.311  10.839   2.515
   44    HZ1  LYS   4           HZ1      LYS   4   8.283  12.177   4.698
   45    HZ2  LYS   4           HZ2      LYS   4   7.354  12.686   3.382
   46    HZ3  LYS   4           HZ3      LYS   4   9.034  12.855   3.346
   47    H    TYR   5           H        TYR   5   4.198   6.991  -0.588
   48    HA   TYR   5           HA       TYR   5   1.754   8.058  -1.485
   49    HB2  TYR   5           HB2      TYR   5   2.629   8.251  -3.945
   50    HB3  TYR   5           HB3      TYR   5   2.812   9.614  -2.849
   51    HD1  TYR   5           HD1      TYR   5   4.614   6.784  -4.420
   52    HD2  TYR   5           HD2      TYR   5   4.949  10.432  -2.254
   53    HE1  TYR   5           HE1      TYR   5   7.033   6.821  -4.855
   54    HE2  TYR   5           HE2      TYR   5   7.364  10.481  -2.689
   55    HH   TYR   5           HH       TYR   5   9.019   7.787  -4.205
   56    H    CYS   6           H        CYS   6   0.607   6.555  -2.672
   57    HA   CYS   6           HA       CYS   6   1.439   3.862  -2.355
   58    HB2  CYS   6           HB2      CYS   6  -0.927   4.760  -2.247
   59    HB3  CYS   6           HB3      CYS   6  -0.886   4.871  -4.000
   60    HA   PRO   7           HA       PRO   7   3.881   3.618  -6.117
   61    HB2  PRO   7           HB2      PRO   7   3.458   0.716  -5.606
   62    HB3  PRO   7           HB3      PRO   7   4.959   1.596  -5.897
   63    HG2  PRO   7           HG2      PRO   7   4.326   0.753  -3.457
   64    HG3  PRO   7           HG3      PRO   7   5.112   2.324  -3.703
   65    HD2  PRO   7           HD2      PRO   7   2.256   1.706  -3.083
   66    HD3  PRO   7           HD3      PRO   7   3.268   3.057  -2.532
   67    H    LYS   8           H        LYS   8   3.192   3.615  -8.167
   68    HA   LYS   8           HA       LYS   8   0.618   3.386  -8.976
   69    HB2  LYS   8           HB2      LYS   8   1.407   3.160 -11.266
   70    HB3  LYS   8           HB3      LYS   8   2.351   4.342 -10.382
   71    HG2  LYS   8           HG2      LYS   8   3.284   1.517 -10.675
   72    HG3  LYS   8           HG3      LYS   8   3.559   2.713 -11.936
   73    HD2  LYS   8           HD2      LYS   8   4.466   2.956  -9.066
   74    HD3  LYS   8           HD3      LYS   8   5.488   2.492 -10.424
   75    HE2  LYS   8           HE2      LYS   8   4.097   5.135 -10.022
   76    HE3  LYS   8           HE3      LYS   8   5.826   4.824  -9.921
   77    HZ1  LYS   8           HZ1      LYS   8   5.906   5.353 -12.057
   78    HZ2  LYS   8           HZ2      LYS   8   4.225   5.352 -12.214
   79    HZ3  LYS   8           HZ3      LYS   8   5.095   3.913 -12.396
   80    H    ILE   9           H        ILE   9   2.913   0.743  -8.675
   81    HA   ILE   9           HA       ILE   9   1.484  -1.210 -10.083
   82    HB   ILE   9           HB       ILE   9   3.814  -1.518  -9.306
   83   HG12  ILE   9          HG12      ILE   9   1.892  -3.642  -8.320
   84   HG13  ILE   9          HG13      ILE   9   2.463  -3.465  -9.975
   85   HG21  ILE   9          HG21      ILE   9   3.091  -0.608  -6.936
   86   HG22  ILE   9          HG22      ILE   9   4.446  -1.720  -7.120
   87   HG23  ILE   9          HG23      ILE   9   2.871  -2.323  -6.603
   88   HD11  ILE   9          HD11      ILE   9   3.885  -4.477  -7.574
   89   HD12  ILE   9          HD12      ILE   9   4.818  -3.694  -8.849
   90   HD13  ILE   9          HD13      ILE   9   3.841  -5.114  -9.216
   91    H    GLY  10           H        GLY  10   1.211  -0.069  -6.771
   92    HA2  GLY  10           HA2      GLY  10  -0.656  -2.089  -5.969
   93    HA3  GLY  10           HA3      GLY  10  -0.236  -0.637  -5.078
   94    H    TYR  11           H        TYR  11  -2.521  -0.637  -4.565
   95    HA   TYR  11           HA       TYR  11  -3.982   1.092  -6.374
   96    HB2  TYR  11           HB2      TYR  11  -5.336  -1.438  -5.425
   97    HB3  TYR  11           HB3      TYR  11  -5.944  -0.254  -6.573
   98    HD1  TYR  11           HD1      TYR  11  -3.320  -2.847  -6.111
   99    HD2  TYR  11           HD2      TYR  11  -5.595  -0.546  -8.875
  100    HE1  TYR  11           HE1      TYR  11  -2.459  -4.224  -7.955
  101    HE2  TYR  11           HE2      TYR  11  -4.745  -1.919 -10.728
  102    HH   TYR  11           HH       TYR  11  -2.355  -4.485 -10.170
  103    H    CYS  12           H        CYS  12  -5.585   2.305  -5.251
  104    HA   CYS  12           HA       CYS  12  -5.293   2.203  -2.343
  105    HB2  CYS  12           HB2      CYS  12  -6.785   4.224  -4.033
  106    HB3  CYS  12           HB3      CYS  12  -6.374   4.379  -2.332
  107    H    SER  13           H        SER  13  -6.784   1.158  -1.136
  108    HA   SER  13           HA       SER  13  -9.578   1.198  -1.950
  109    HB2  SER  13           HB2      SER  13  -8.224  -1.454  -1.434
  110    HB3  SER  13           HB3      SER  13  -9.854  -1.172  -2.046
  111    HG   SER  13           HG       SER  13  -7.436  -1.169  -3.366
  112    H    ASN  14           H        ASN  14 -11.030   0.444  -0.313
  113    HA   ASN  14           HA       ASN  14 -10.433   1.324   2.276
  114    HB2  ASN  14           HB2      ASN  14 -12.592   0.615   2.876
  115    HB3  ASN  14           HB3      ASN  14 -12.738   0.941   1.150
  116   HD21  ASN  14          HD21      ASN  14 -13.751  -1.104   3.385
  117   HD22  ASN  14          HD22      ASN  14 -13.852  -2.570   2.474
  118    H    THR  15           H        THR  15 -10.055  -1.741   0.729
  119    HA   THR  15           HA       THR  15  -8.645  -2.771   3.049
  120    HB   THR  15           HB       THR  15  -9.883  -4.943   2.895
  121    HG1  THR  15           HG1      THR  15 -11.689  -3.361   1.342
  122   HG21  THR  15          HG21      THR  15 -11.744  -4.248   4.253
  123   HG22  THR  15          HG22      THR  15 -11.648  -2.608   3.618
  124   HG23  THR  15          HG23      THR  15 -10.359  -3.232   4.643
  125    H    CYS  16           H        CYS  16  -7.106  -4.312   2.520
  126    HA   CYS  16           HA       CYS  16  -6.654  -4.672  -0.361
  127    HB2  CYS  16           HB2      CYS  16  -4.679  -4.637   1.927
  128    HB3  CYS  16           HB3      CYS  16  -4.266  -4.915   0.237
  129    H    SER  17           H        SER  17  -6.107  -6.653  -1.182
  130    HA   SER  17           HA       SER  17  -7.223  -8.919   0.012
  131    HB2  SER  17           HB2      SER  17  -5.054  -8.954  -2.090
  132    HB3  SER  17           HB3      SER  17  -6.349 -10.125  -1.848
  133    HG   SER  17           HG       SER  17  -7.514  -7.787  -2.178
  134    H    LYS  18           H        LYS  18  -6.274 -10.717   1.042
  135    HA   LYS  18           HA       LYS  18  -4.391 -10.259   2.960
  136    HB2  LYS  18           HB2      LYS  18  -4.955 -12.873   1.558
  137    HB3  LYS  18           HB3      LYS  18  -4.052 -12.722   3.058
  138    HG2  LYS  18           HG2      LYS  18  -6.069 -11.682   4.088
  139    HG3  LYS  18           HG3      LYS  18  -6.947 -12.051   2.604
  140    HD2  LYS  18           HD2      LYS  18  -6.454 -14.434   2.914
  141    HD3  LYS  18           HD3      LYS  18  -5.595 -14.054   4.406
  142    HE2  LYS  18           HE2      LYS  18  -7.695 -13.098   5.314
  143    HE3  LYS  18           HE3      LYS  18  -8.525 -13.619   3.849
  144    HZ1  LYS  18           HZ1      LYS  18  -8.703 -15.149   5.806
  145    HZ2  LYS  18           HZ2      LYS  18  -7.061 -15.494   5.610
  146    HZ3  LYS  18           HZ3      LYS  18  -8.156 -15.866   4.380
  147    H    THR  19           H        THR  19  -3.819 -11.460  -0.310
  148    HA   THR  19           HA       THR  19  -0.986 -11.680   0.102
  149    HB   THR  19           HB       THR  19  -2.401 -11.644  -2.564
  150    HG1  THR  19           HG1      THR  19  -3.435 -13.328  -1.769
  151   HG21  THR  19          HG21      THR  19  -0.159 -11.741  -3.053
  152   HG22  THR  19          HG22      THR  19  -0.490 -13.458  -2.835
  153   HG23  THR  19          HG23      THR  19   0.249 -12.531  -1.531
  154    H    GLN  20           H        GLN  20  -1.976  -9.140   0.777
  155    HA   GLN  20           HA       GLN  20  -0.258  -7.483  -0.848
  156    HB2  GLN  20           HB2      GLN  20  -3.173  -6.755  -0.470
  157    HB3  GLN  20           HB3      GLN  20  -1.950  -5.733  -1.204
  158    HG2  GLN  20           HG2      GLN  20  -1.708  -7.323  -3.035
  159    HG3  GLN  20           HG3      GLN  20  -2.923  -8.365  -2.292
  160   HE21  GLN  20          HE21      GLN  20  -2.533  -6.293  -4.720
  161   HE22  GLN  20          HE22      GLN  20  -4.119  -5.615  -4.813
  162    H    ILE  21           H        ILE  21   0.601  -5.799   0.331
  163    HA   ILE  21           HA       ILE  21   0.288  -5.939   3.178
  164    HB   ILE  21           HB       ILE  21   1.834  -3.962   1.490
  165   HG12  ILE  21          HG12      ILE  21   2.735  -6.423   3.009
  166   HG13  ILE  21          HG13      ILE  21   2.638  -6.267   1.257
  167   HG21  ILE  21          HG21      ILE  21   2.243  -4.483   4.422
  168   HG22  ILE  21          HG22      ILE  21   1.162  -3.221   3.837
  169   HG23  ILE  21          HG23      ILE  21   2.877  -3.163   3.441
  170   HD11  ILE  21          HD11      ILE  21   4.719  -5.534   1.234
  171   HD12  ILE  21          HD12      ILE  21   4.789  -5.616   2.992
  172   HD13  ILE  21          HD13      ILE  21   4.240  -4.141   2.201
  173    H    TRP  22           H        TRP  22  -1.040  -4.789   4.433
  174    HA   TRP  22           HA       TRP  22  -2.851  -2.865   3.276
  175    HB2  TRP  22           HB2      TRP  22  -2.485  -3.900   6.092
  176    HB3  TRP  22           HB3      TRP  22  -3.675  -2.677   5.668
  177    HD1  TRP  22           HD1      TRP  22  -2.798  -6.224   4.304
  178    HE1  TRP  22           HE1      TRP  22  -5.024  -7.466   3.913
  179    HE3  TRP  22           HE3      TRP  22  -6.033  -2.539   5.717
  180    HZ2  TRP  22           HZ2      TRP  22  -7.787  -6.938   4.169
  181    HZ3  TRP  22           HZ3      TRP  22  -8.448  -2.978   5.610
  182    HH2  TRP  22           HH2      TRP  22  -9.306  -5.135   4.855
  183    H    ALA  23           H        ALA  23  -0.481  -1.842   2.808
  184    HA   ALA  23           HA       ALA  23   0.520  -0.177   4.907
  185    HB1  ALA  23           HB1      ALA  23   1.743   0.868   2.847
  186    HB2  ALA  23           HB2      ALA  23   1.125  -0.555   2.012
  187    HB3  ALA  23           HB3      ALA  23   2.176  -0.743   3.416
  188    H    THR  24           H        THR  24  -0.131   1.816   5.469
  189    HA   THR  24           HA       THR  24  -2.270   3.063   3.969
  190    HB   THR  24           HB       THR  24  -1.908   4.859   5.860
  191    HG1  THR  24           HG1      THR  24   0.049   3.987   6.648
  192   HG21  THR  24          HG21      THR  24  -3.374   3.592   7.342
  193   HG22  THR  24          HG22      THR  24  -2.968   2.100   6.495
  194   HG23  THR  24          HG23      THR  24  -3.863   3.372   5.663
  195    H    SER  25           H        SER  25  -1.930   4.521   2.422
  196    HA   SER  25           HA       SER  25   0.744   5.684   2.154
  197    HB2  SER  25           HB2      SER  25  -0.097   6.232  -0.176
  198    HB3  SER  25           HB3      SER  25   0.085   4.516   0.197
  199    HG   SER  25           HG       SER  25  -1.907   4.839  -0.768
  200    H    HIS  26           H        HIS  26   1.038   7.876   1.711
  201    HA   HIS  26           HA       HIS  26  -0.900   9.629   2.956
  202    HB2  HIS  26           HB2      HIS  26   1.592   9.798   3.327
  203    HB3  HIS  26           HB3      HIS  26   1.749  10.327   1.657
  204    HD1  HIS  26           HD1      HIS  26   0.303  12.652   1.138
  205    HD2  HIS  26           HD2      HIS  26   1.274  11.804   5.087
  206    HE1  HIS  26           HE1      HIS  26   0.080  14.826   2.371
  207    HE2  HIS  26           HE2      HIS  26   0.849  14.324   4.710
  208    H    GLY  27           H        GLY  27  -1.845   8.396   0.601
  209    HA2  GLY  27           HA2      GLY  27  -2.804  10.626  -0.837
  210    HA3  GLY  27           HA3      GLY  27  -1.496   9.888  -1.743
  211    H    CYS  28           H        CYS  28  -3.868   8.215   0.253
  212    HA   CYS  28           HA       CYS  28  -5.108   7.115  -2.173
  213    HB2  CYS  28           HB2      CYS  28  -3.957   5.617   0.149
  214    HB3  CYS  28           HB3      CYS  28  -5.353   4.961  -0.687
  215    H    LYS  29           H        LYS  29  -7.298   6.736  -2.056
  216    HA   LYS  29           HA       LYS  29  -8.886   8.274  -0.406
  217    HB2  LYS  29           HB2      LYS  29  -9.566   5.631  -1.712
  218    HB3  LYS  29           HB3      LYS  29 -10.749   6.737  -1.031
  219    HG2  LYS  29           HG2      LYS  29 -10.156   8.426  -2.664
  220    HG3  LYS  29           HG3      LYS  29  -8.899   7.379  -3.320
  221    HD2  LYS  29           HD2      LYS  29 -11.828   6.673  -3.248
  222    HD3  LYS  29           HD3      LYS  29 -11.017   7.389  -4.641
  223    HE2  LYS  29           HE2      LYS  29  -9.577   5.470  -4.848
  224    HE3  LYS  29           HE3      LYS  29 -10.220   4.779  -3.359
  225    HZ1  LYS  29           HZ1      LYS  29 -11.245   3.710  -5.210
  226    HZ2  LYS  29           HZ2      LYS  29 -11.688   5.187  -5.903
  227    HZ3  LYS  29           HZ3      LYS  29 -12.408   4.680  -4.462
  228    H    MET  30           H        MET  30  -7.617   5.064   0.046
  229    HA   MET  30           HA       MET  30  -8.262   5.168   2.882
  230    HB2  MET  30           HB2      MET  30  -9.044   2.886   1.058
  231    HB3  MET  30           HB3      MET  30  -9.050   2.789   2.813
  232    HG2  MET  30           HG2      MET  30 -10.700   4.694   1.169
  233    HG3  MET  30           HG3      MET  30 -11.280   3.188   1.874
  234    HE1  MET  30           HE1      MET  30 -10.979   3.943   5.714
  235    HE2  MET  30           HE2      MET  30  -9.734   3.215   4.702
  236    HE3  MET  30           HE3      MET  30 -11.422   2.748   4.496
  237    H    TYR  31           H        TYR  31  -7.443   2.047   2.060
  238    HA   TYR  31           HA       TYR  31  -4.708   2.448   2.943
  239    HB2  TYR  31           HB2      TYR  31  -6.114  -0.126   2.188
  240    HB3  TYR  31           HB3      TYR  31  -4.560   0.010   2.995
  241    HD1  TYR  31           HD1      TYR  31  -8.141   0.963   3.443
  242    HD2  TYR  31           HD2      TYR  31  -4.484  -0.168   5.297
  243    HE1  TYR  31           HE1      TYR  31  -9.291   0.820   5.604
  244    HE2  TYR  31           HE2      TYR  31  -5.627  -0.315   7.469
  245    HH   TYR  31           HH       TYR  31  -7.839  -0.602   8.371
  246    H    CYS  32           H        CYS  32  -2.910   1.459   1.817
  247    HA   CYS  32           HA       CYS  32  -3.213   1.599  -1.104
  248    HB2  CYS  32           HB2      CYS  32  -1.510   3.121  -0.284
  249    HB3  CYS  32           HB3      CYS  32  -0.752   1.845   0.650
  250    H    CYS  33           H        CYS  33  -3.216  -0.265  -2.136
  251    HA   CYS  33           HA       CYS  33  -2.410  -2.673  -0.694
  252    HB2  CYS  33           HB2      CYS  33  -4.031  -2.422  -3.237
  253    HB3  CYS  33           HB3      CYS  33  -3.814  -3.873  -2.263
  254    H    LEU  34           H        LEU  34  -0.733  -3.825  -1.297
  255    HA   LEU  34           HA       LEU  34   0.409  -3.507  -3.964
  256    HB2  LEU  34           HB2      LEU  34   1.930  -3.171  -1.377
  257    HB3  LEU  34           HB3      LEU  34   2.681  -3.323  -2.950
  258    HG   LEU  34           HG       LEU  34   0.719  -1.120  -2.394
  259   HD11  LEU  34          HD11      LEU  34   3.651  -0.674  -2.127
  260   HD12  LEU  34          HD12      LEU  34   2.746  -1.284  -0.743
  261   HD13  LEU  34          HD13      LEU  34   2.306   0.258  -1.473
  262   HD21  LEU  34          HD21      LEU  34   1.567  -1.813  -4.709
  263   HD22  LEU  34          HD22      LEU  34   3.103  -1.117  -4.202
  264   HD23  LEU  34          HD23      LEU  34   1.659  -0.108  -4.270
  265    HA   PRO  35           HA       PRO  35   0.514  -7.914  -3.926
  266    HB2  PRO  35           HB2      PRO  35   3.240  -7.520  -5.074
  267    HB3  PRO  35           HB3      PRO  35   1.910  -8.521  -5.659
  268    HG2  PRO  35           HG2      PRO  35   2.539  -6.155  -6.784
  269    HG3  PRO  35           HG3      PRO  35   0.882  -6.772  -6.723
  270    HD2  PRO  35           HD2      PRO  35   2.118  -4.553  -5.235
  271    HD3  PRO  35           HD3      PRO  35   0.407  -4.866  -5.583
  272    H    ALA  36           H        ALA  36   1.193  -9.412  -2.467
  273    HA   ALA  36           HA       ALA  36   2.589  -8.754  -0.182
  274    HB1  ALA  36           HB1      ALA  36   2.905 -11.210   0.137
  275    HB2  ALA  36           HB2      ALA  36   2.276 -11.451  -1.491
  276    HB3  ALA  36           HB3      ALA  36   1.249 -10.741  -0.247
  277    H    SER  37           H        SER  37   3.767  -9.764  -3.283
  278    HA   SER  37           HA       SER  37   6.402 -10.461  -2.616
  279    HB2  SER  37           HB2      SER  37   5.481 -11.010  -4.795
  280    HB3  SER  37           HB3      SER  37   5.245  -9.304  -5.168
  281    HG   SER  37           HG       SER  37   7.670 -10.748  -4.939
  282    H    TRP  38           H        TRP  38   4.844  -7.397  -3.212
  283    HA   TRP  38           HA       TRP  38   6.922  -5.678  -3.638
  284    HB2  TRP  38           HB2      TRP  38   4.535  -5.032  -3.616
  285    HB3  TRP  38           HB3      TRP  38   4.526  -5.190  -1.866
  286    HD1  TRP  38           HD1      TRP  38   6.424  -3.073  -4.520
  287    HE1  TRP  38           HE1      TRP  38   6.784  -0.723  -3.528
  288    HE3  TRP  38           HE3      TRP  38   4.419  -3.837   0.113
  289    HZ2  TRP  38           HZ2      TRP  38   6.286   0.624  -1.079
  290    HZ3  TRP  38           HZ3      TRP  38   4.400  -1.977   1.721
  291    HH2  TRP  38           HH2      TRP  38   5.316   0.206   1.133
  292    H    LYS  39           H        LYS  39   8.664  -5.088  -2.515
  293    HA   LYS  39           HA       LYS  39   8.925  -6.002   0.224
  294    HB2  LYS  39           HB2      LYS  39  11.282  -4.962  -0.041
  295    HB3  LYS  39           HB3      LYS  39  10.905  -6.456  -0.878
  296    HG2  LYS  39           HG2      LYS  39  12.168  -4.986  -2.306
  297    HG3  LYS  39           HG3      LYS  39  10.540  -5.196  -2.947
  298    HD2  LYS  39           HD2      LYS  39   9.886  -3.046  -2.253
  299    HD3  LYS  39           HD3      LYS  39  11.303  -2.856  -1.218
  300    HE2  LYS  39           HE2      LYS  39  12.721  -2.882  -3.247
  301    HE3  LYS  39           HE3      LYS  39  11.266  -2.978  -4.233
  302    HZ1  LYS  39           HZ1      LYS  39  12.006  -0.720  -4.125
  303    HZ2  LYS  39           HZ2      LYS  39  12.035  -0.749  -2.437
  304    HZ3  LYS  39           HZ3      LYS  39  10.563  -0.846  -3.258
  305    H    TRP  40           H        TRP  40   8.799  -4.778   1.966
  306    HA   TRP  40           HA       TRP  40   7.845  -2.095   1.623
  307    HB2  TRP  40           HB2      TRP  40   6.725  -3.600   3.182
  308    HB3  TRP  40           HB3      TRP  40   8.203  -3.746   4.123
  309    HD1  TRP  40           HD1      TRP  40   6.793  -2.846   6.234
  310    HE1  TRP  40           HE1      TRP  40   6.232  -0.456   6.988
  311    HE3  TRP  40           HE3      TRP  40   7.704  -0.342   1.848
  312    HZ2  TRP  40           HZ2      TRP  40   6.173   2.128   5.889
  313    HZ3  TRP  40           HZ3      TRP  40   7.371   2.087   1.800
  314    HH2  TRP  40           HH2      TRP  40   6.624   3.299   3.779
  315    H    LYS  41           H        LYS  41   9.140  -1.813   4.532
  316    HA   LYS  41           HA       LYS  41  11.582  -0.538   3.513
  317    HB2  LYS  41           HB2      LYS  41  11.422   0.974   5.419
  318    HB3  LYS  41           HB3      LYS  41   9.933   1.004   4.490
  319    HG2  LYS  41           HG2      LYS  41   8.924  -0.537   6.145
  320    HG3  LYS  41           HG3      LYS  41  10.398  -0.423   7.099
  321    HD2  LYS  41           HD2      LYS  41   8.625   1.901   6.352
  322    HD3  LYS  41           HD3      LYS  41   8.626   1.085   7.915
  323    HE2  LYS  41           HE2      LYS  41  11.001   2.489   6.698
  324    HE3  LYS  41           HE3      LYS  41   9.924   3.194   7.899
  325    HZ1  LYS  41           HZ1      LYS  41  10.551   1.394   9.415
  326    HZ2  LYS  41           HZ2      LYS  41  11.880   2.331   8.959
  327    HZ3  LYS  41           HZ3      LYS  41  11.646   0.805   8.272
  Start of MODEL   10
    1    H1   LEU   1           H1       LEU   1   2.412   1.793   9.929
    2    H2   LEU   1           H2       LEU   1   3.664   2.909  10.111
    3    H3   LEU   1           H3       LEU   1   3.973   1.257  10.264
    4    HA   LEU   1           HA       LEU   1   4.762   1.980   8.147
    5    HB2  LEU   1           HB2      LEU   1   3.685  -0.248   8.443
    6    HB3  LEU   1           HB3      LEU   1   2.161   0.447   7.934
    7    HG   LEU   1           HG       LEU   1   4.622   0.296   6.202
    8   HD11  LEU   1          HD11      LEU   1   3.608  -1.551   5.080
    9   HD12  LEU   1          HD12      LEU   1   2.150  -1.413   6.061
   10   HD13  LEU   1          HD13      LEU   1   3.666  -1.926   6.802
   11   HD21  LEU   1          HD21      LEU   1   2.806   0.646   4.418
   12   HD22  LEU   1          HD22      LEU   1   3.348   2.039   5.351
   13   HD23  LEU   1          HD23      LEU   1   1.824   1.249   5.750
   14    H    VAL   2           H        VAL   2   4.702   3.924   7.166
   15    HA   VAL   2           HA       VAL   2   2.121   4.817   6.079
   16    HB   VAL   2           HB       VAL   2   4.139   6.638   7.398
   17   HG11  VAL   2          HG11      VAL   2   1.544   7.174   5.970
   18   HG12  VAL   2          HG12      VAL   2   3.142   7.830   5.614
   19   HG13  VAL   2          HG13      VAL   2   2.288   8.332   7.073
   20   HG21  VAL   2          HG21      VAL   2   2.982   5.470   9.112
   21   HG22  VAL   2          HG22      VAL   2   1.434   5.654   8.285
   22   HG23  VAL   2          HG23      VAL   2   2.233   7.061   8.989
   23    H    LEU   3           H        LEU   3   2.179   5.293   4.014
   24    HA   LEU   3           HA       LEU   3   4.758   5.508   2.637
   25    HB2  LEU   3           HB2      LEU   3   1.985   4.754   1.766
   26    HB3  LEU   3           HB3      LEU   3   3.199   5.216   0.603
   27    HG   LEU   3           HG       LEU   3   4.558   3.320   1.155
   28   HD11  LEU   3          HD11      LEU   3   2.524   2.667   3.282
   29   HD12  LEU   3          HD12      LEU   3   4.146   3.288   3.577
   30   HD13  LEU   3          HD13      LEU   3   3.931   1.699   2.845
   31   HD21  LEU   3          HD21      LEU   3   1.646   2.840   0.684
   32   HD22  LEU   3          HD22      LEU   3   2.768   1.481   0.795
   33   HD23  LEU   3          HD23      LEU   3   2.999   2.713  -0.444
   34    H    LYS   4           H        LYS   4   5.143   7.211   1.198
   35    HA   LYS   4           HA       LYS   4   3.880   9.691   1.826
   36    HB2  LYS   4           HB2      LYS   4   6.245   9.573   1.193
   37    HB3  LYS   4           HB3      LYS   4   5.768   8.991  -0.384
   38    HG2  LYS   4           HG2      LYS   4   6.366  11.359  -0.426
   39    HG3  LYS   4           HG3      LYS   4   4.683  11.092  -0.886
   40    HD2  LYS   4           HD2      LYS   4   3.967  11.696   1.372
   41    HD3  LYS   4           HD3      LYS   4   5.649  11.947   1.839
   42    HE2  LYS   4           HE2      LYS   4   5.859  13.759   0.264
   43    HE3  LYS   4           HE3      LYS   4   4.230  13.463  -0.344
   44    HZ1  LYS   4           HZ1      LYS   4   4.379  15.328   1.241
   45    HZ2  LYS   4           HZ2      LYS   4   4.849  14.243   2.449
   46    HZ3  LYS   4           HZ3      LYS   4   3.318  14.116   1.747
   47    H    TYR   5           H        TYR   5   3.671   7.292  -0.644
   48    HA   TYR   5           HA       TYR   5   1.095   8.170  -1.521
   49    HB2  TYR   5           HB2      TYR   5   1.773   8.518  -3.896
   50    HB3  TYR   5           HB3      TYR   5   2.427   9.741  -2.814
   51    HD1  TYR   5           HD1      TYR   5   3.304   6.581  -4.569
   52    HD2  TYR   5           HD2      TYR   5   4.736  10.135  -2.716
   53    HE1  TYR   5           HE1      TYR   5   5.575   6.076  -5.364
   54    HE2  TYR   5           HE2      TYR   5   7.008   9.638  -3.506
   55    HH   TYR   5           HH       TYR   5   7.850   7.992  -5.765
   56    H    CYS   6           H        CYS   6   0.099   6.575  -2.869
   57    HA   CYS   6           HA       CYS   6   1.066   3.934  -2.382
   58    HB2  CYS   6           HB2      CYS   6  -1.351   4.573  -2.478
   59    HB3  CYS   6           HB3      CYS   6  -1.180   4.811  -4.210
   60    HA   PRO   7           HA       PRO   7   3.968   3.903  -5.804
   61    HB2  PRO   7           HB2      PRO   7   3.570   0.972  -5.390
   62    HB3  PRO   7           HB3      PRO   7   5.070   1.890  -5.558
   63    HG2  PRO   7           HG2      PRO   7   4.270   1.049  -3.170
   64    HG3  PRO   7           HG3      PRO   7   5.003   2.652  -3.365
   65    HD2  PRO   7           HD2      PRO   7   2.144   1.912  -2.952
   66    HD3  PRO   7           HD3      PRO   7   3.041   3.330  -2.377
   67    H    LYS   8           H        LYS   8   3.784   3.696  -7.967
   68    HA   LYS   8           HA       LYS   8   1.373   3.558  -9.248
   69    HB2  LYS   8           HB2      LYS   8   3.267   4.414 -10.415
   70    HB3  LYS   8           HB3      LYS   8   4.139   2.897 -10.252
   71    HG2  LYS   8           HG2      LYS   8   3.321   3.222 -12.523
   72    HG3  LYS   8           HG3      LYS   8   2.578   1.812 -11.768
   73    HD2  LYS   8           HD2      LYS   8   0.618   3.270 -11.199
   74    HD3  LYS   8           HD3      LYS   8   1.353   4.533 -12.185
   75    HE2  LYS   8           HE2      LYS   8   1.238   3.142 -14.144
   76    HE3  LYS   8           HE3      LYS   8   0.669   1.776 -13.186
   77    HZ1  LYS   8           HZ1      LYS   8  -1.237   2.653 -14.141
   78    HZ2  LYS   8           HZ2      LYS   8  -0.768   4.252 -13.884
   79    HZ3  LYS   8           HZ3      LYS   8  -1.258   3.297 -12.583
   80    H    ILE   9           H        ILE   9   3.602   0.912  -8.575
   81    HA   ILE   9           HA       ILE   9   2.293  -1.093 -10.029
   82    HB   ILE   9           HB       ILE   9   4.571  -1.317  -9.094
   83   HG12  ILE   9          HG12      ILE   9   3.166  -3.320  -9.725
   84   HG13  ILE   9          HG13      ILE   9   4.475  -3.643  -8.598
   85   HG21  ILE   9          HG21      ILE   9   3.222  -1.719  -6.430
   86   HG22  ILE   9          HG22      ILE   9   4.099  -0.269  -6.914
   87   HG23  ILE   9          HG23      ILE   9   4.950  -1.804  -6.769
   88   HD11  ILE   9          HD11      ILE   9   1.674  -4.130  -8.316
   89   HD12  ILE   9          HD12      ILE   9   2.236  -3.074  -7.020
   90   HD13  ILE   9          HD13      ILE   9   3.013  -4.631  -7.286
   91    H    GLY  10           H        GLY  10   1.771   0.223  -6.842
   92    HA2  GLY  10           HA2      GLY  10  -0.236  -1.728  -6.104
   93    HA3  GLY  10           HA3      GLY  10   0.260  -0.321  -5.182
   94    H    TYR  11           H        TYR  11  -2.209  -0.614  -5.005
   95    HA   TYR  11           HA       TYR  11  -3.380   1.564  -6.485
   96    HB2  TYR  11           HB2      TYR  11  -5.314   0.331  -7.296
   97    HB3  TYR  11           HB3      TYR  11  -3.853  -0.399  -7.952
   98    HD1  TYR  11           HD1      TYR  11  -6.489  -0.790  -5.388
   99    HD2  TYR  11           HD2      TYR  11  -3.338  -2.669  -7.534
  100    HE1  TYR  11           HE1      TYR  11  -7.218  -2.977  -4.529
  101    HE2  TYR  11           HE2      TYR  11  -4.061  -4.858  -6.689
  102    HH   TYR  11           HH       TYR  11  -5.352  -5.709  -4.636
  103    H    CYS  12           H        CYS  12  -4.882   2.601  -5.179
  104    HA   CYS  12           HA       CYS  12  -5.074   1.510  -2.490
  105    HB2  CYS  12           HB2      CYS  12  -5.833   4.229  -3.562
  106    HB3  CYS  12           HB3      CYS  12  -5.867   3.758  -1.867
  107    H    SER  13           H        SER  13  -6.830   0.855  -1.502
  108    HA   SER  13           HA       SER  13  -9.487   1.343  -2.555
  109    HB2  SER  13           HB2      SER  13  -8.587  -1.512  -2.133
  110    HB3  SER  13           HB3      SER  13 -10.057  -0.937  -2.920
  111    HG   SER  13           HG       SER  13  -7.398  -0.885  -3.869
  112    H    ASN  14           H        ASN  14 -11.137   0.720  -0.981
  113    HA   ASN  14           HA       ASN  14 -10.506   1.367   1.641
  114    HB2  ASN  14           HB2      ASN  14 -12.805   1.423   0.756
  115    HB3  ASN  14           HB3      ASN  14 -12.821  -0.336   0.699
  116   HD21  ASN  14          HD21      ASN  14 -13.785  -1.274   2.347
  117   HD22  ASN  14          HD22      ASN  14 -13.925  -0.634   3.947
  118    H    THR  15           H        THR  15 -10.216  -1.629  -0.018
  119    HA   THR  15           HA       THR  15  -8.933  -2.817   2.290
  120    HB   THR  15           HB       THR  15 -10.273  -4.962   1.939
  121    HG1  THR  15           HG1      THR  15 -12.386  -3.353   1.036
  122   HG21  THR  15          HG21      THR  15 -11.813  -4.389   3.593
  123   HG22  THR  15          HG22      THR  15 -12.013  -2.750   2.974
  124   HG23  THR  15          HG23      THR  15 -10.531  -3.200   3.818
  125    H    CYS  16           H        CYS  16  -7.282  -4.125   1.710
  126    HA   CYS  16           HA       CYS  16  -6.924  -4.641  -1.165
  127    HB2  CYS  16           HB2      CYS  16  -4.849  -4.308   1.010
  128    HB3  CYS  16           HB3      CYS  16  -4.500  -4.650  -0.682
  129    H    SER  17           H        SER  17  -6.164  -6.625  -1.866
  130    HA   SER  17           HA       SER  17  -7.091  -8.908  -0.611
  131    HB2  SER  17           HB2      SER  17  -4.753  -8.772  -2.527
  132    HB3  SER  17           HB3      SER  17  -5.846 -10.131  -2.276
  133    HG   SER  17           HG       SER  17  -6.225  -8.656  -4.154
  134    H    LYS  18           H        LYS  18  -6.190 -10.419   0.775
  135    HA   LYS  18           HA       LYS  18  -4.346  -9.618   2.659
  136    HB2  LYS  18           HB2      LYS  18  -4.125 -12.019   3.259
  137    HB3  LYS  18           HB3      LYS  18  -5.793 -11.491   3.093
  138    HG2  LYS  18           HG2      LYS  18  -5.978 -12.548   0.952
  139    HG3  LYS  18           HG3      LYS  18  -4.259 -12.943   0.951
  140    HD2  LYS  18           HD2      LYS  18  -5.625 -14.885   1.534
  141    HD3  LYS  18           HD3      LYS  18  -4.581 -14.405   2.872
  142    HE2  LYS  18           HE2      LYS  18  -6.405 -13.381   4.021
  143    HE3  LYS  18           HE3      LYS  18  -7.464 -13.570   2.627
  144    HZ1  LYS  18           HZ1      LYS  18  -7.866 -15.229   4.370
  145    HZ2  LYS  18           HZ2      LYS  18  -6.292 -15.813   4.172
  146    HZ3  LYS  18           HZ3      LYS  18  -7.403 -15.939   2.907
  147    H    THR  19           H        THR  19  -3.811 -11.291  -0.387
  148    HA   THR  19           HA       THR  19  -1.050 -11.820   0.052
  149    HB   THR  19           HB       THR  19  -2.542 -12.987  -1.635
  150    HG1  THR  19           HG1      THR  19  -0.071 -11.893  -2.573
  151   HG21  THR  19          HG21      THR  19  -3.342 -10.700  -2.558
  152   HG22  THR  19          HG22      THR  19  -3.061 -12.023  -3.689
  153   HG23  THR  19          HG23      THR  19  -1.858 -10.747  -3.509
  154    H    GLN  20           H        GLN  20  -2.240  -9.008   0.324
  155    HA   GLN  20           HA       GLN  20  -0.040  -7.624  -1.005
  156    HB2  GLN  20           HB2      GLN  20  -2.906  -6.649  -1.003
  157    HB3  GLN  20           HB3      GLN  20  -1.523  -5.762  -1.622
  158    HG2  GLN  20           HG2      GLN  20  -1.188  -7.606  -3.272
  159    HG3  GLN  20           HG3      GLN  20  -2.717  -8.289  -2.722
  160   HE21  GLN  20          HE21      GLN  20  -1.392  -6.527  -5.075
  161   HE22  GLN  20          HE22      GLN  20  -2.734  -5.546  -5.542
  162    H    ILE  21           H        ILE  21   0.721  -5.856   0.142
  163    HA   ILE  21           HA       ILE  21   0.216  -5.893   2.957
  164    HB   ILE  21           HB       ILE  21   1.846  -3.943   1.317
  165   HG12  ILE  21          HG12      ILE  21   2.729  -6.395   2.862
  166   HG13  ILE  21          HG13      ILE  21   2.603  -6.296   1.109
  167   HG21  ILE  21          HG21      ILE  21   1.210  -3.073   3.526
  168   HG22  ILE  21          HG22      ILE  21   2.943  -3.369   3.413
  169   HG23  ILE  21          HG23      ILE  21   1.910  -4.502   4.284
  170   HD11  ILE  21          HD11      ILE  21   4.787  -5.611   2.775
  171   HD12  ILE  21          HD12      ILE  21   4.224  -4.145   1.974
  172   HD13  ILE  21          HD13      ILE  21   4.678  -5.553   1.017
  173    H    TRP  22           H        TRP  22  -1.238  -4.721   4.050
  174    HA   TRP  22           HA       TRP  22  -2.899  -2.777   2.704
  175    HB2  TRP  22           HB2      TRP  22  -2.798  -3.728   5.577
  176    HB3  TRP  22           HB3      TRP  22  -3.955  -2.546   4.978
  177    HD1  TRP  22           HD1      TRP  22  -2.904  -6.071   3.683
  178    HE1  TRP  22           HE1      TRP  22  -5.061  -7.401   3.234
  179    HE3  TRP  22           HE3      TRP  22  -6.321  -2.543   5.058
  180    HZ2  TRP  22           HZ2      TRP  22  -7.852  -6.991   3.435
  181    HZ3  TRP  22           HZ3      TRP  22  -8.710  -3.075   4.891
  182    HH2  TRP  22           HH2      TRP  22  -9.463  -5.261   4.096
  183    H    ALA  23           H        ALA  23  -0.474  -1.867   2.427
  184    HA   ALA  23           HA       ALA  23   0.602  -0.315   4.503
  185    HB1  ALA  23           HB1      ALA  23   0.973  -0.384   1.538
  186    HB2  ALA  23           HB2      ALA  23   2.097  -0.842   2.817
  187    HB3  ALA  23           HB3      ALA  23   1.752   0.859   2.514
  188    H    THR  24           H        THR  24   0.071   1.596   5.288
  189    HA   THR  24           HA       THR  24  -2.171   3.062   4.249
  190    HB   THR  24           HB       THR  24  -0.197   3.882   6.400
  191    HG1  THR  24           HG1      THR  24  -1.405   1.837   6.735
  192   HG21  THR  24          HG21      THR  24  -2.919   4.882   5.597
  193   HG22  THR  24          HG22      THR  24  -1.418   5.795   5.747
  194   HG23  THR  24          HG23      THR  24  -2.234   5.195   7.192
  195    H    SER  25           H        SER  25  -2.085   4.903   2.968
  196    HA   SER  25           HA       SER  25   0.590   5.957   2.360
  197    HB2  SER  25           HB2      SER  25  -0.359   6.203  -0.050
  198    HB3  SER  25           HB3      SER  25   0.238   4.633   0.487
  199    HG   SER  25           HG       SER  25  -2.119   4.392   1.174
  200    H    HIS  26           H        HIS  26   0.755   8.083   2.372
  201    HA   HIS  26           HA       HIS  26  -1.210   9.783   3.330
  202    HB2  HIS  26           HB2      HIS  26   1.369  10.254   1.855
  203    HB3  HIS  26           HB3      HIS  26   0.338  11.604   2.301
  204    HD1  HIS  26           HD1      HIS  26  -0.367  11.355   5.065
  205    HD2  HIS  26           HD2      HIS  26   3.272   9.863   3.720
  206    HE1  HIS  26           HE1      HIS  26   1.086  11.176   7.106
  207    HE2  HIS  26           HE2      HIS  26   3.248  10.177   6.289
  208    H    GLY  27           H        GLY  27  -0.071   9.354  -0.008
  209    HA2  GLY  27           HA2      GLY  27  -2.014  11.139  -1.110
  210    HA3  GLY  27           HA3      GLY  27  -0.987  10.033  -2.009
  211    H    CYS  28           H        CYS  28  -3.074   8.919   0.557
  212    HA   CYS  28           HA       CYS  28  -5.201   8.166  -1.223
  213    HB2  CYS  28           HB2      CYS  28  -3.276   6.146  -0.136
  214    HB3  CYS  28           HB3      CYS  28  -4.938   5.699  -0.485
  215    H    LYS  29           H        LYS  29  -6.690   6.537   0.104
  216    HA   LYS  29           HA       LYS  29  -7.288   7.986   2.535
  217    HB2  LYS  29           HB2      LYS  29  -8.862   5.861   1.083
  218    HB3  LYS  29           HB3      LYS  29  -9.422   6.764   2.482
  219    HG2  LYS  29           HG2      LYS  29  -9.278   8.839   1.200
  220    HG3  LYS  29           HG3      LYS  29  -8.730   7.925  -0.206
  221    HD2  LYS  29           HD2      LYS  29 -10.819   6.714  -0.281
  222    HD3  LYS  29           HD3      LYS  29 -11.360   7.497   1.203
  223    HE2  LYS  29           HE2      LYS  29 -11.371   9.650   0.097
  224    HE3  LYS  29           HE3      LYS  29 -10.734   8.928  -1.377
  225    HZ1  LYS  29           HZ1      LYS  29 -13.204   9.344  -1.287
  226    HZ2  LYS  29           HZ2      LYS  29 -13.296   8.062  -0.189
  227    HZ3  LYS  29           HZ3      LYS  29 -12.724   7.794  -1.756
  228    H    MET  30           H        MET  30  -8.724   5.104   2.854
  229    HA   MET  30           HA       MET  30  -7.543   4.453   5.254
  230    HB2  MET  30           HB2      MET  30  -9.074   2.607   3.429
  231    HB3  MET  30           HB3      MET  30  -8.841   2.404   5.158
  232    HG2  MET  30           HG2      MET  30 -11.037   3.241   4.788
  233    HG3  MET  30           HG3      MET  30 -10.074   4.516   5.526
  234    HE1  MET  30           HE1      MET  30 -11.499   3.071   2.251
  235    HE2  MET  30           HE2      MET  30  -9.917   3.519   1.614
  236    HE3  MET  30           HE3      MET  30 -11.357   4.398   1.101
  237    H    TYR  31           H        TYR  31  -6.709   3.138   2.034
  238    HA   TYR  31           HA       TYR  31  -4.207   2.195   3.097
  239    HB2  TYR  31           HB2      TYR  31  -5.978   0.025   1.984
  240    HB3  TYR  31           HB3      TYR  31  -4.443  -0.142   2.821
  241    HD1  TYR  31           HD1      TYR  31  -8.025   0.616   3.250
  242    HD2  TYR  31           HD2      TYR  31  -4.363  -0.359   5.181
  243    HE1  TYR  31           HE1      TYR  31  -9.252   0.156   5.324
  244    HE2  TYR  31           HE2      TYR  31  -5.587  -0.827   7.266
  245    HH   TYR  31           HH       TYR  31  -8.219  -1.586   7.718
  246    H    CYS  32           H        CYS  32  -2.932   1.000   1.553
  247    HA   CYS  32           HA       CYS  32  -3.521   1.592  -1.267
  248    HB2  CYS  32           HB2      CYS  32  -1.734   3.061  -0.750
  249    HB3  CYS  32           HB3      CYS  32  -0.940   1.883   0.279
  250    H    CYS  33           H        CYS  33  -3.061  -0.165  -2.664
  251    HA   CYS  33           HA       CYS  33  -2.586  -2.680  -1.236
  252    HB2  CYS  33           HB2      CYS  33  -3.693  -2.310  -4.025
  253    HB3  CYS  33           HB3      CYS  33  -3.690  -3.785  -3.069
  254    H    LEU  34           H        LEU  34  -0.831  -3.826  -1.572
  255    HA   LEU  34           HA       LEU  34   0.742  -3.457  -3.992
  256    HB2  LEU  34           HB2      LEU  34   1.827  -3.080  -1.201
  257    HB3  LEU  34           HB3      LEU  34   2.812  -3.196  -2.640
  258    HG   LEU  34           HG       LEU  34   0.710  -1.069  -2.418
  259   HD11  LEU  34          HD11      LEU  34   2.654  -1.272  -0.515
  260   HD12  LEU  34          HD12      LEU  34   1.883   0.226  -1.026
  261   HD13  LEU  34          HD13      LEU  34   3.426  -0.252  -1.726
  262   HD21  LEU  34          HD21      LEU  34   3.377  -1.042  -3.790
  263   HD22  LEU  34          HD22      LEU  34   2.002   0.029  -4.053
  264   HD23  LEU  34          HD23      LEU  34   1.915  -1.658  -4.557
  265    HA   PRO  35           HA       PRO  35   0.695  -7.889  -3.584
  266    HB2  PRO  35           HB2      PRO  35   3.180  -7.679  -5.194
  267    HB3  PRO  35           HB3      PRO  35   1.720  -8.618  -5.502
  268    HG2  PRO  35           HG2      PRO  35   2.286  -6.387  -6.876
  269    HG3  PRO  35           HG3      PRO  35   0.621  -6.845  -6.472
  270    HD2  PRO  35           HD2      PRO  35   2.346  -4.733  -5.291
  271    HD3  PRO  35           HD3      PRO  35   0.583  -4.782  -5.483
  272    H    ALA  36           H        ALA  36   1.751  -9.376  -2.298
  273    HA   ALA  36           HA       ALA  36   3.363  -8.560  -0.231
  274    HB1  ALA  36           HB1      ALA  36   3.819 -10.860   0.217
  275    HB2  ALA  36           HB2      ALA  36   3.510 -11.308  -1.459
  276    HB3  ALA  36           HB3      ALA  36   2.183 -10.767  -0.433
  277    H    SER  37           H        SER  37   4.256  -9.477  -3.471
  278    HA   SER  37           HA       SER  37   7.016  -9.817  -3.134
  279    HB2  SER  37           HB2      SER  37   7.055  -9.190  -5.633
  280    HB3  SER  37           HB3      SER  37   6.103 -10.597  -5.162
  281    HG   SER  37           HG       SER  37   5.151  -7.974  -5.712
  282    H    TRP  38           H        TRP  38   5.051  -6.962  -3.476
  283    HA   TRP  38           HA       TRP  38   6.845  -5.029  -4.235
  284    HB2  TRP  38           HB2      TRP  38   4.496  -4.523  -3.904
  285    HB3  TRP  38           HB3      TRP  38   4.634  -4.848  -2.180
  286    HD1  TRP  38           HD1      TRP  38   6.217  -2.367  -4.723
  287    HE1  TRP  38           HE1      TRP  38   6.485  -0.096  -3.538
  288    HE3  TRP  38           HE3      TRP  38   4.518  -3.668  -0.086
  289    HZ2  TRP  38           HZ2      TRP  38   6.036   0.995  -0.970
  290    HZ3  TRP  38           HZ3      TRP  38   4.471  -1.956   1.680
  291    HH2  TRP  38           HH2      TRP  38   5.213   0.326   1.244
  292    H    LYS  39           H        LYS  39   8.529  -3.977  -3.302
  293    HA   LYS  39           HA       LYS  39   9.466  -4.978  -0.735
  294    HB2  LYS  39           HB2      LYS  39  10.775  -3.121  -2.730
  295    HB3  LYS  39           HB3      LYS  39  11.527  -3.696  -1.250
  296    HG2  LYS  39           HG2      LYS  39  10.617  -5.438  -3.530
  297    HG3  LYS  39           HG3      LYS  39  12.279  -4.931  -3.226
  298    HD2  LYS  39           HD2      LYS  39  12.162  -6.054  -1.013
  299    HD3  LYS  39           HD3      LYS  39  10.553  -6.642  -1.436
  300    HE2  LYS  39           HE2      LYS  39  11.503  -7.820  -3.368
  301    HE3  LYS  39           HE3      LYS  39  13.109  -7.246  -2.918
  302    HZ1  LYS  39           HZ1      LYS  39  11.434  -9.271  -1.620
  303    HZ2  LYS  39           HZ2      LYS  39  12.512  -8.383  -0.672
  304    HZ3  LYS  39           HZ3      LYS  39  13.086  -9.304  -1.963
  305    H    TRP  40           H        TRP  40   8.913  -4.016   1.057
  306    HA   TRP  40           HA       TRP  40   7.749  -1.407   1.061
  307    HB2  TRP  40           HB2      TRP  40   6.902  -3.193   2.508
  308    HB3  TRP  40           HB3      TRP  40   8.448  -3.266   3.336
  309    HD1  TRP  40           HD1      TRP  40   6.979  -2.808   5.588
  310    HE1  TRP  40           HE1      TRP  40   6.240  -0.592   6.660
  311    HE3  TRP  40           HE3      TRP  40   7.592   0.308   1.561
  312    HZ2  TRP  40           HZ2      TRP  40   5.950   2.099   5.909
  313    HZ3  TRP  40           HZ3      TRP  40   7.061   2.689   1.838
  314    HH2  TRP  40           HH2      TRP  40   6.258   3.565   3.967
  315    H    LYS  41           H        LYS  41   9.294  -1.369   3.920
  316    HA   LYS  41           HA       LYS  41  11.095   0.688   3.125
  317    HB2  LYS  41           HB2      LYS  41  11.078  -0.744   5.780
  318    HB3  LYS  41           HB3      LYS  41  11.616   0.898   5.443
  319    HG2  LYS  41           HG2      LYS  41   9.283   1.494   4.874
  320    HG3  LYS  41           HG3      LYS  41   8.800  -0.130   5.350
  321    HD2  LYS  41           HD2      LYS  41  10.114   1.900   7.139
  322    HD3  LYS  41           HD3      LYS  41   8.400   1.489   7.128
  323    HE2  LYS  41           HE2      LYS  41   9.034  -0.858   7.678
  324    HE3  LYS  41           HE3      LYS  41  10.700  -0.313   7.853
  325    HZ1  LYS  41           HZ1      LYS  41  10.139   0.021   9.967
  326    HZ2  LYS  41           HZ2      LYS  41   8.478  -0.014   9.652
  327    HZ3  LYS  41           HZ3      LYS  41   9.351   1.411   9.419