*HEADER    IMMUNE SYSTEM                           06-JAN-16   2NAN              
*TITLE     NMR STRUCTURE OF HUMAN DCL-1 (CD302) EXTRACELLULAR DOMAIN             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CD302 ANTIGEN;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: EXTRACELLULAR DOMAIN RESIDUES 23-161;                      
*COMPND   5 SYNONYM: C-TYPE LECTIN BIMLEC, C-TYPE LECTIN DOMAIN FAMILY 13 MEMBER 
*COMPND   6 A, DEC205-ASSOCIATED C-TYPE LECTIN 1, TYPE I TRANSMEMBRANE C-TYPE    
*COMPND   7 LECTIN RECEPTOR DCL-1;                                               
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: CD302, CLEC13A, DCL1, KIAA0022;                                
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21-GOLD(DE3);                            
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET-30A(+)                                 
*KEYWDS    C-TYPE LECTIN LIKE RECEPTOR, IMMUNE SYSTEM                            
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    E.POSPISILOVA, Z.KUKACKA, D.KAVAN, P.NOVAK, J.CHMELIK                 
*REVDAT   1   11-JAN-17 2NAN    0                                                


! unambiguous distances
assign (resid 23 and name HB2) (resid 23 and name HB1) 2.048 0.524 0.524 weight 1.000 ! spec=HCH, no=5, id=3109, vol=1.740000e+08
assign (resid 23 and name HB2) (resid 31 and name HE22) 3.329 1.386 1.386 weight 1.000 ! spec=HCH, no=6, id=3110, vol=9.410000e+06
assign (resid 23 and name HB2) (resid 23 and name HA) 2.992 1.119 1.119 weight 1.000 ! spec=HCH, no=11, id=3115, vol=1.790000e+07
assign (resid 23 and name HB1) (resid 23 and name HA) 2.620 0.858 0.858 weight 1.000 ! spec=HCH, no=12, id=3116, vol=3.960000e+07
assign (resid 23 and name HB2) (resid 24 and name HN) 3.654 1.669 1.669 weight 1.000 ! spec=HCH, no=14, id=3118, vol=5.390000e+06
assign (resid 23 and name HB2) (resid 157 and name HD12) 3.043 1.158 1.158 weight 1.000 ! spec=HCH, no=16, id=3120, vol=1.610000e+07
    or (resid 23 and name HB2) (resid 157 and name HD11)
    or (resid 23 and name HB2) (resid 157 and name HD13)
assign (resid 23 and name HB1) (resid 157 and name HD12) 2.683 0.900 0.900 weight 1.000 ! spec=HCH, no=17, id=3121, vol=3.440000e+07
    or (resid 23 and name HB1) (resid 157 and name HD11)
    or (resid 23 and name HB1) (resid 157 and name HD13)
assign (resid 24 and name HA) (resid 24 and name HB1) 2.718 0.923 0.923 weight 1.000 ! spec=HCH, no=23, id=3125, vol=3.180000e+07
assign (resid 24 and name HA) (resid 25 and name HD2) 2.820 0.994 0.994 weight 1.000 ! spec=HCH, no=24, id=3126, vol=2.550000e+07
assign (resid 24 and name HA) (resid 25 and name HD1) 2.581 0.833 0.833 weight 1.000 ! spec=HCH, no=25, id=3127, vol=4.340000e+07
assign (resid 24 and name HA) (resid 157 and name HG22) 3.202 1.281 1.281 weight 1.000 ! spec=HCH, no=26, id=3128, vol=1.190000e+07
    or (resid 24 and name HA) (resid 157 and name HG21)
    or (resid 24 and name HA) (resid 157 and name HG23)
assign (resid 26 and name HN) (resid 24 and name HB2) 3.525 1.553 1.553 weight 1.000 ! spec=HCH, no=27, id=3129, vol=6.690000e+06
assign (resid 24 and name HB2) (resid 24 and name HN) 3.122 1.219 1.219 weight 1.000 ! spec=HCH, no=28, id=3130, vol=1.380000e+07
assign (resid 24 and name HB2) (resid 25 and name HD2) 3.170 1.256 1.256 weight 1.000 ! spec=HCH, no=31, id=3133, vol=1.260000e+07
assign (resid 24 and name HB1) (resid 25 and name HB2) 3.700 1.711 1.711 weight 1.000 ! spec=HCH, no=39, id=3140, vol=5.000000e+06
assign (resid 24 and name HB1) (resid 29 and name HE3) 3.681 1.694 1.694 weight 1.000 ! spec=HCH, no=41, id=3142, vol=5.150000e+06
assign (resid 24 and name HB2) (resid 29 and name HB2) 2.777 0.964 0.964 weight 1.000 ! spec=HCH, no=42, id=3143, vol=2.800000e+07
assign (resid 25 and name HA) (resid 25 and name HD2) 3.510 1.540 1.540 weight 1.000 ! spec=HCH, no=46, id=3147, vol=6.860000e+06
assign (resid 25 and name HA) (resid 25 and name HB1) 2.588 0.837 0.837 weight 1.000 ! spec=HCH, no=47, id=3148, vol=4.270000e+07
assign (resid 25 and name HA) (resid 25 and name HG2) 3.159 1.247 1.247 weight 1.000 ! spec=HCH, no=49, id=3150, vol=1.290000e+07
assign (resid 25 and name HB2) (resid 25 and name HD2) 3.444 1.482 1.482 weight 1.000 ! spec=HCH, no=51, id=3152, vol=7.690000e+06
assign (resid 25 and name HB2) (resid 25 and name HA) 3.217 1.293 1.293 weight 1.000 ! spec=HCH, no=53, id=3154, vol=1.160000e+07
assign (resid 25 and name HB1) (resid 25 and name HB2) 2.336 0.682 0.682 weight 1.000 ! spec=HCH, no=56, id=3156, vol=7.890000e+07
assign (resid 25 and name HB2) (resid 25 and name HD1) 3.686 1.698 1.698 weight 1.000 ! spec=HCH, no=58, id=3158, vol=5.120000e+06
assign (resid 25 and name HB1) (resid 25 and name HD1) 3.501 1.532 1.532 weight 1.000 ! spec=HCH, no=59, id=3159, vol=6.970000e+06
assign (resid 25 and name HB2) (resid 25 and name HG2) 2.983 1.112 1.112 weight 1.000 ! spec=HCH, no=60, id=3160, vol=1.820000e+07
assign (resid 25 and name HB1) (resid 25 and name HG2) 2.654 0.881 0.881 weight 1.000 ! spec=HCH, no=61, id=3161, vol=3.670000e+07
assign (resid 25 and name HD2) (resid 25 and name HB1) 3.518 1.547 1.547 weight 1.000 ! spec=HCH, no=68, id=3168, vol=6.760000e+06
assign (resid 25 and name HD2) (resid 24 and name HB1) 3.051 1.163 1.163 weight 1.000 ! spec=HCH, no=75, id=3175, vol=1.590000e+07
assign (resid 25 and name HD1) (resid 24 and name HB1) 2.977 1.108 1.108 weight 1.000 ! spec=HCH, no=76, id=3176, vol=1.840000e+07
assign (resid 25 and name HD1) (resid 25 and name HA) 3.678 1.691 1.691 weight 1.000 ! spec=HCH, no=77, id=3177, vol=5.180000e+06
assign (resid 25 and name HD1) (resid 25 and name HD2) 2.606 0.849 0.849 weight 1.000 ! spec=HCH, no=79, id=3178, vol=4.090000e+07
assign (resid 25 and name HD2) (resid 25 and name HG2) 3.113 1.211 1.211 weight 1.000 ! spec=HCH, no=82, id=3180, vol=1.410000e+07
assign (resid 25 and name HD1) (resid 25 and name HG2) 2.900 1.051 1.051 weight 1.000 ! spec=HCH, no=83, id=3181, vol=2.160000e+07
assign (resid 25 and name HD1) (resid 25 and name HG1) 2.884 1.040 1.040 weight 1.000 ! spec=HCH, no=84, id=3182, vol=2.230000e+07
assign (resid 25 and name HG2) (resid 24 and name HA) 3.701 1.712 1.712 weight 1.000 ! spec=HCH, no=89, id=3186, vol=4.990000e+06
assign (resid 25 and name HG2) (resid 24 and name HB1) 3.515 1.544 1.544 weight 1.000 ! spec=HCH, no=90, id=3187, vol=6.800000e+06
assign (resid 25 and name HG1) (resid 25 and name HA) 3.449 1.487 1.487 weight 1.000 ! spec=HCH, no=92, id=3189, vol=7.620000e+06
assign (resid 25 and name HG1) (resid 25 and name HB1) 2.956 1.092 1.092 weight 1.000 ! spec=HCH, no=94, id=3191, vol=1.920000e+07
assign (resid 25 and name HG1) (resid 25 and name HG2) 2.405 0.723 0.723 weight 1.000 ! spec=HCH, no=98, id=3194, vol=6.620000e+07
assign (resid 26 and name HB2) (resid 26 and name HA) 2.725 0.928 0.928 weight 1.000 ! spec=HCH, no=106, id=3201, vol=3.130000e+07
assign (resid 26 and name HB1) (resid 26 and name HA) 2.659 0.884 0.884 weight 1.000 ! spec=HCH, no=107, id=3202, vol=3.630000e+07
assign (resid 26 and name HB1) (resid 26 and name HB2) 2.301 0.662 0.662 weight 1.000 ! spec=HCH, no=109, id=3203, vol=8.630000e+07
assign (resid 27 and name HA) (resid 27 and name HB2) 2.279 0.649 0.649 weight 1.000 ! spec=HCH, no=113, id=3205, vol=9.150000e+07
assign (resid 27 and name HA) (resid 27 and name HB1) 2.342 0.686 0.686 weight 1.000 ! spec=HCH, no=114, id=3206, vol=7.770000e+07
assign (resid 27 and name HA) (resid 29 and name HB2) 3.771 1.778 1.778 weight 1.000 ! spec=HCH, no=115, id=3207, vol=4.460000e+06
assign (resid 27 and name HB1) (resid 27 and name HB2) 1.985 0.492 0.492 weight 1.000 ! spec=HCH, no=118, id=3210, vol=2.100000e+08
assign (resid 29 and name HN) (resid 28 and name HA) 3.063 1.173 1.173 weight 1.000 ! spec=HCH, no=126, id=3216, vol=1.550000e+07
assign (resid 28 and name HB) (resid 28 and name HA) 2.439 0.744 0.744 weight 1.000 ! spec=HCH, no=130, id=3220, vol=6.090000e+07
assign (resid 29 and name HN) (resid 28 and name HB) 3.238 1.311 1.311 weight 1.000 ! spec=HCH, no=133, id=3222, vol=1.110000e+07
assign (resid 28 and name HB) (resid 29 and name HA) 4.060 2.060 2.060 weight 1.000 ! spec=HCH, no=134, id=3223, vol=2.860000e+06
assign (resid 28 and name HB) (resid 38 and name HG11) 3.639 1.655 1.655 weight 1.000 ! spec=HCH, no=136, id=3225, vol=5.520000e+06
assign (resid 28 and name HB) (resid 38 and name HD12) 2.708 0.916 0.916 weight 1.000 ! spec=HCH, no=137, id=3226, vol=3.250000e+07
    or (resid 28 and name HB) (resid 38 and name HD11)
    or (resid 28 and name HB) (resid 38 and name HD13)
assign (resid 28 and name HG21) (resid 82 and name HG2) 3.310 1.369 1.369 weight 1.000 ! spec=HCH, no=141, id=3230, vol=9.760000e+06
    or (resid 28 and name HG22) (resid 82 and name HG2)
    or (resid 28 and name HG23) (resid 82 and name HG2)
assign (resid 28 and name HG21) (resid 39 and name HN) 3.604 1.624 1.624 weight 1.000 ! spec=HCH, no=144, id=3233, vol=5.850000e+06
    or (resid 28 and name HG22) (resid 39 and name HN)
    or (resid 28 and name HG23) (resid 39 and name HN)
assign (resid 29 and name HN) (resid 28 and name HG21) 3.181 1.265 1.265 weight 1.000 ! spec=HCH, no=147, id=3236, vol=1.240000e+07
    or (resid 29 and name HN) (resid 28 and name HG22)
    or (resid 29 and name HN) (resid 28 and name HG23)
assign (resid 28 and name HG21) (resid 29 and name HA) 3.374 1.423 1.423 weight 1.000 ! spec=HCH, no=150, id=3238, vol=8.690000e+06
    or (resid 28 and name HG22) (resid 29 and name HA)
    or (resid 28 and name HG23) (resid 29 and name HA)
assign (resid 28 and name HA) (resid 28 and name HG21) 2.310 0.667 0.667 weight 1.000 ! spec=HCH, no=152, id=3240, vol=8.450000e+07
    or (resid 28 and name HA) (resid 28 and name HG22)
    or (resid 28 and name HA) (resid 28 and name HG23)
assign (resid 28 and name HB) (resid 28 and name HG21) 2.187 0.598 0.598 weight 1.000 ! spec=HCH, no=153, id=3241, vol=1.170000e+08
    or (resid 28 and name HB) (resid 28 and name HG22)
    or (resid 28 and name HB) (resid 28 and name HG23)
assign (resid 28 and name HG21) (resid 28 and name HG22) 1.084 0.147 0.147 weight 1.000 ! spec=HCH, no=154, id=3242, vol=7.910000e+09
    or (resid 28 and name HG21) (resid 28 and name HG23)
    or (resid 28 and name HG21) (resid 28 and name HG22)
    or (resid 28 and name HG22) (resid 28 and name HG23)
    or (resid 28 and name HG21) (resid 28 and name HG23)
    or (resid 28 and name HG22) (resid 28 and name HG23)
assign (resid 28 and name HG21) (resid 29 and name HE1) 3.914 1.915 1.915 weight 1.000 ! spec=HCH, no=157, id=3245, vol=3.570000e+06
    or (resid 28 and name HG22) (resid 29 and name HE1)
    or (resid 28 and name HG23) (resid 29 and name HE1)
assign (resid 28 and name HG21) (resid 38 and name HB) 3.128 1.223 1.223 weight 1.000 ! spec=HCH, no=158, id=3246, vol=1.370000e+07
    or (resid 28 and name HG22) (resid 38 and name HB)
    or (resid 28 and name HG23) (resid 38 and name HB)
assign (resid 28 and name HG21) (resid 38 and name HG12) 2.864 1.025 1.025 weight 1.000 ! spec=HCH, no=159, id=3247, vol=2.320000e+07
    or (resid 28 and name HG22) (resid 38 and name HG12)
    or (resid 28 and name HG23) (resid 38 and name HG12)
assign (resid 28 and name HG21) (resid 38 and name HG11) 2.576 0.829 0.829 weight 1.000 ! spec=HCH, no=160, id=3248, vol=4.390000e+07
    or (resid 28 and name HG22) (resid 38 and name HG11)
    or (resid 28 and name HG23) (resid 38 and name HG11)
assign (resid 28 and name HG21) (resid 38 and name HD12) 2.278 0.649 0.649 weight 1.000 ! spec=HCH, no=161, id=3249, vol=9.170000e+07
    or (resid 28 and name HG21) (resid 38 and name HD11)
    or (resid 28 and name HG21) (resid 38 and name HD13)
    or (resid 28 and name HG22) (resid 38 and name HD12)
    or (resid 28 and name HG22) (resid 38 and name HD11)
    or (resid 28 and name HG22) (resid 38 and name HD13)
    or (resid 28 and name HG23) (resid 38 and name HD12)
    or (resid 28 and name HG23) (resid 38 and name HD11)
    or (resid 28 and name HG23) (resid 38 and name HD13)
assign (resid 28 and name HG21) (resid 38 and name HG22) 3.262 1.330 1.330 weight 1.000 ! spec=HCH, no=162, id=3250, vol=1.070000e+07
    or (resid 28 and name HG21) (resid 38 and name HG21)
    or (resid 28 and name HG21) (resid 38 and name HG23)
    or (resid 28 and name HG22) (resid 38 and name HG22)
    or (resid 28 and name HG22) (resid 38 and name HG21)
    or (resid 28 and name HG22) (resid 38 and name HG23)
    or (resid 28 and name HG23) (resid 38 and name HG22)
    or (resid 28 and name HG23) (resid 38 and name HG21)
    or (resid 28 and name HG23) (resid 38 and name HG23)
assign (resid 29 and name HA) (resid 29 and name HB2) 2.685 0.901 0.901 weight 1.000 ! spec=HCH, no=163, id=3251, vol=3.420000e+07
assign (resid 30 and name HN) (resid 29 and name HA) 2.592 0.840 0.840 weight 1.000 ! spec=HCH, no=164, id=3252, vol=4.230000e+07
assign (resid 30 and name HN) (resid 29 and name HB2) 3.665 1.679 1.679 weight 1.000 ! spec=HCH, no=168, id=3256, vol=5.290000e+06
assign (resid 29 and name HB2) (resid 37 and name HN) 3.935 1.936 1.936 weight 1.000 ! spec=HCH, no=169, id=3257, vol=3.450000e+06
assign (resid 30 and name HB) (resid 29 and name HA) 3.603 1.622 1.622 weight 1.000 ! spec=HCH, no=175, id=3263, vol=5.860000e+06
assign (resid 30 and name HB) (resid 74 and name HE1) 3.396 1.442 1.442 weight 1.000 ! spec=HCH, no=183, id=3269, vol=8.350000e+06
assign (resid 30 and name HB) (resid 30 and name HA) 3.072 1.180 1.180 weight 1.000 ! spec=HCH, no=187, id=3273, vol=1.530000e+07
assign (resid 30 and name HB) (resid 31 and name HN) 3.602 1.622 1.622 weight 1.000 ! spec=HCH, no=191, id=3276, vol=5.870000e+06
assign (resid 30 and name HB) (resid 31 and name HA) 3.612 1.631 1.631 weight 1.000 ! spec=HCH, no=192, id=3277, vol=5.780000e+06
assign (resid 30 and name HB) (resid 37 and name HA) 3.983 1.983 1.983 weight 1.000 ! spec=HCH, no=193, id=3278, vol=3.210000e+06
assign (resid 30 and name HB) (resid 83 and name HZ2) 3.216 1.293 1.293 weight 1.000 ! spec=HCH, no=195, id=3280, vol=1.160000e+07
assign (resid 30 and name HD12) (resid 37 and name HA) 4.027 2.027 2.027 weight 1.000 ! spec=HCH, no=196, id=3281, vol=3.010000e+06
    or (resid 30 and name HD11) (resid 37 and name HA)
    or (resid 30 and name HD13) (resid 37 and name HA)
assign (resid 30 and name HD12) (resid 78 and name HG21) 2.258 0.637 0.637 weight 1.000 ! spec=HCH, no=198, id=3283, vol=9.680000e+07
    or (resid 30 and name HD12) (resid 78 and name HG22)
    or (resid 30 and name HD12) (resid 78 and name HG23)
    or (resid 30 and name HD11) (resid 78 and name HG21)
    or (resid 30 and name HD11) (resid 78 and name HG22)
    or (resid 30 and name HD11) (resid 78 and name HG23)
    or (resid 30 and name HD13) (resid 78 and name HG21)
    or (resid 30 and name HD13) (resid 78 and name HG22)
    or (resid 30 and name HD13) (resid 78 and name HG23)
assign (resid 30 and name HD12) (resid 78 and name HA) 3.462 1.498 1.498 weight 1.000 ! spec=HCH, no=200, id=3285, vol=7.450000e+06
    or (resid 30 and name HD11) (resid 78 and name HA)
    or (resid 30 and name HD13) (resid 78 and name HA)
assign (resid 30 and name HD12) (resid 29 and name HA) 3.412 1.455 1.455 weight 1.000 ! spec=HCH, no=201, id=3286, vol=8.130000e+06
    or (resid 30 and name HD11) (resid 29 and name HA)
    or (resid 30 and name HD13) (resid 29 and name HA)
assign (resid 30 and name HN) (resid 30 and name HD12) 3.249 1.320 1.320 weight 1.000 ! spec=HCH, no=203, id=3288, vol=1.090000e+07
    or (resid 30 and name HN) (resid 30 and name HD11)
    or (resid 30 and name HN) (resid 30 and name HD13)
assign (resid 30 and name HD12) (resid 30 and name HA) 2.865 1.026 1.026 weight 1.000 ! spec=HCH, no=204, id=3289, vol=2.320000e+07
    or (resid 30 and name HD11) (resid 30 and name HA)
    or (resid 30 and name HD13) (resid 30 and name HA)
assign (resid 30 and name HB) (resid 30 and name HD12) 2.367 0.700 0.700 weight 1.000 ! spec=HCH, no=205, id=3290, vol=7.290000e+07
    or (resid 30 and name HB) (resid 30 and name HD11)
    or (resid 30 and name HB) (resid 30 and name HD13)
assign (resid 30 and name HD12) (resid 30 and name HG12) 2.128 0.566 0.566 weight 1.000 ! spec=HCH, no=206, id=3291, vol=1.380000e+08
    or (resid 30 and name HD11) (resid 30 and name HG12)
    or (resid 30 and name HD13) (resid 30 and name HG12)
assign (resid 30 and name HD12) (resid 82 and name HB1) 2.171 0.589 0.589 weight 1.000 ! spec=HCH, no=209, id=3294, vol=1.220000e+08
    or (resid 30 and name HD11) (resid 82 and name HB1)
    or (resid 30 and name HD13) (resid 82 and name HB1)
assign (resid 82 and name HE22) (resid 30 and name HD12) 2.862 1.024 1.024 weight 1.000 ! spec=HCH, no=210, id=3295, vol=2.330000e+07
    or (resid 82 and name HE22) (resid 30 and name HD11)
    or (resid 82 and name HE22) (resid 30 and name HD13)
assign (resid 30 and name HD12) (resid 82 and name HG2) 2.367 0.700 0.700 weight 1.000 ! spec=HCH, no=211, id=3296, vol=7.290000e+07
    or (resid 30 and name HD11) (resid 82 and name HG2)
    or (resid 30 and name HD13) (resid 82 and name HG2)
assign (resid 30 and name HG12) (resid 30 and name HA) 2.821 0.995 0.995 weight 1.000 ! spec=HCH, no=214, id=3299, vol=2.540000e+07
assign (resid 30 and name HG12) (resid 30 and name HG11) 2.106 0.554 0.554 weight 1.000 ! spec=HCH, no=215, id=3300, vol=1.470000e+08
assign (resid 30 and name HN) (resid 30 and name HG11) 3.145 1.236 1.236 weight 1.000 ! spec=HCH, no=223, id=3308, vol=1.330000e+07
assign (resid 30 and name HG11) (resid 30 and name HA) 3.136 1.229 1.229 weight 1.000 ! spec=HCH, no=224, id=3309, vol=1.350000e+07
assign (resid 30 and name HG12) (resid 30 and name HB) 3.034 1.151 1.151 weight 1.000 ! spec=HCH, no=225, id=3310, vol=1.640000e+07
assign (resid 30 and name HB) (resid 30 and name HG11) 2.658 0.883 0.883 weight 1.000 ! spec=HCH, no=226, id=3311, vol=3.640000e+07
assign (resid 30 and name HG11) (resid 30 and name HD12) 2.510 0.788 0.788 weight 1.000 ! spec=HCH, no=229, id=3313, vol=5.130000e+07
    or (resid 30 and name HG11) (resid 30 and name HD11)
    or (resid 30 and name HG11) (resid 30 and name HD13)
assign (resid 30 and name HG11) (resid 78 and name HG21) 3.456 1.493 1.493 weight 1.000 ! spec=HCH, no=234, id=3318, vol=7.520000e+06
    or (resid 30 and name HG11) (resid 78 and name HG22)
    or (resid 30 and name HG11) (resid 78 and name HG23)
assign (resid 82 and name HE22) (resid 30 and name HG12) 3.796 1.801 1.801 weight 1.000 ! spec=HCH, no=235, id=3319, vol=4.290000e+06
assign (resid 32 and name HN) (resid 30 and name HG22) 3.424 1.466 1.466 weight 1.000 ! spec=HCH, no=242, id=3324, vol=7.950000e+06
    or (resid 32 and name HN) (resid 30 and name HG21)
    or (resid 32 and name HN) (resid 30 and name HG23)
assign (resid 30 and name HG22) (resid 78 and name HN) 3.854 1.857 1.857 weight 1.000 ! spec=HCH, no=248, id=3330, vol=3.910000e+06
    or (resid 30 and name HG21) (resid 78 and name HN)
    or (resid 30 and name HG23) (resid 78 and name HN)
assign (resid 30 and name HN) (resid 30 and name HG22) 3.016 1.137 1.137 weight 1.000 ! spec=HCH, no=251, id=3333, vol=1.710000e+07
    or (resid 30 and name HN) (resid 30 and name HG21)
    or (resid 30 and name HN) (resid 30 and name HG23)
assign (resid 30 and name HG22) (resid 30 and name HA) 2.310 0.667 0.667 weight 1.000 ! spec=HCH, no=252, id=3334, vol=8.450000e+07
    or (resid 30 and name HG21) (resid 30 and name HA)
    or (resid 30 and name HG23) (resid 30 and name HA)
assign (resid 30 and name HB) (resid 30 and name HG22) 2.152 0.579 0.579 weight 1.000 ! spec=HCH, no=253, id=3335, vol=1.290000e+08
    or (resid 30 and name HB) (resid 30 and name HG21)
    or (resid 30 and name HB) (resid 30 and name HG23)
assign (resid 30 and name HG11) (resid 30 and name HG22) 2.494 0.778 0.778 weight 1.000 ! spec=HCH, no=254, id=3336, vol=5.320000e+07
    or (resid 30 and name HG11) (resid 30 and name HG21)
    or (resid 30 and name HG11) (resid 30 and name HG23)
assign (resid 30 and name HG22) (resid 30 and name HD12) 2.147 0.576 0.576 weight 1.000 ! spec=HCH, no=255, id=3337, vol=1.310000e+08
    or (resid 30 and name HG22) (resid 30 and name HD11)
    or (resid 30 and name HG22) (resid 30 and name HD13)
    or (resid 30 and name HG21) (resid 30 and name HD12)
    or (resid 30 and name HG21) (resid 30 and name HD11)
    or (resid 30 and name HG21) (resid 30 and name HD13)
    or (resid 30 and name HG23) (resid 30 and name HD12)
    or (resid 30 and name HG23) (resid 30 and name HD11)
    or (resid 30 and name HG23) (resid 30 and name HD13)
assign (resid 30 and name HG22) (resid 30 and name HG21) 1.215 0.185 0.185 weight 1.000 ! spec=HCH, no=256, id=3338, vol=3.980000e+09
    or (resid 30 and name HG22) (resid 30 and name HG23)
    or (resid 30 and name HG22) (resid 30 and name HG21)
    or (resid 30 and name HG21) (resid 30 and name HG23)
    or (resid 30 and name HG22) (resid 30 and name HG23)
    or (resid 30 and name HG21) (resid 30 and name HG23)
assign (resid 31 and name HN) (resid 30 and name HG22) 2.370 0.702 0.702 weight 1.000 ! spec=HCH, no=257, id=3339, vol=7.230000e+07
    or (resid 31 and name HN) (resid 30 and name HG21)
    or (resid 31 and name HN) (resid 30 and name HG23)
assign (resid 30 and name HG22) (resid 31 and name HA) 3.433 1.474 1.474 weight 1.000 ! spec=HCH, no=258, id=3340, vol=7.830000e+06
    or (resid 30 and name HG21) (resid 31 and name HA)
    or (resid 30 and name HG23) (resid 31 and name HA)
assign (resid 30 and name HG22) (resid 36 and name HA) 3.607 1.626 1.626 weight 1.000 ! spec=HCH, no=259, id=3341, vol=5.820000e+06
    or (resid 30 and name HG21) (resid 36 and name HA)
    or (resid 30 and name HG23) (resid 36 and name HA)
assign (resid 37 and name HN) (resid 30 and name HG22) 3.489 1.521 1.521 weight 1.000 ! spec=HCH, no=260, id=3342, vol=7.110000e+06
    or (resid 37 and name HN) (resid 30 and name HG21)
    or (resid 37 and name HN) (resid 30 and name HG23)
assign (resid 30 and name HG22) (resid 37 and name HB2) 3.409 1.452 1.452 weight 1.000 ! spec=HCH, no=261, id=3343, vol=8.180000e+06
    or (resid 30 and name HG21) (resid 37 and name HB2)
    or (resid 30 and name HG23) (resid 37 and name HB2)
assign (resid 30 and name HG22) (resid 37 and name HB1) 2.998 1.124 1.124 weight 1.000 ! spec=HCH, no=262, id=3344, vol=1.770000e+07
    or (resid 30 and name HG21) (resid 37 and name HB1)
    or (resid 30 and name HG23) (resid 37 and name HB1)
assign (resid 30 and name HG22) (resid 37 and name HD1) 2.935 1.077 1.077 weight 1.000 ! spec=HCH, no=263, id=3345, vol=2.000000e+07
    or (resid 30 and name HG21) (resid 37 and name HD1)
    or (resid 30 and name HG23) (resid 37 and name HD1)
assign (resid 30 and name HG22) (resid 78 and name HA) 3.826 1.830 1.830 weight 1.000 ! spec=HCH, no=266, id=3348, vol=4.090000e+06
    or (resid 30 and name HG21) (resid 78 and name HA)
    or (resid 30 and name HG23) (resid 78 and name HA)
assign (resid 30 and name HG22) (resid 78 and name HG21) 2.697 0.909 0.909 weight 1.000 ! spec=HCH, no=267, id=3349, vol=3.330000e+07
    or (resid 30 and name HG22) (resid 78 and name HG22)
    or (resid 30 and name HG22) (resid 78 and name HG23)
    or (resid 30 and name HG21) (resid 78 and name HG21)
    or (resid 30 and name HG21) (resid 78 and name HG22)
    or (resid 30 and name HG21) (resid 78 and name HG23)
    or (resid 30 and name HG23) (resid 78 and name HG21)
    or (resid 30 and name HG23) (resid 78 and name HG22)
    or (resid 30 and name HG23) (resid 78 and name HG23)
assign (resid 30 and name HG22) (resid 81 and name HE2) 3.614 1.632 1.632 weight 1.000 ! spec=HCH, no=268, id=3350, vol=5.760000e+06
    or (resid 30 and name HG21) (resid 81 and name HE2)
    or (resid 30 and name HG23) (resid 81 and name HE2)
assign (resid 30 and name HG22) (resid 82 and name HN) 3.950 1.950 1.950 weight 1.000 ! spec=HCH, no=269, id=3351, vol=3.380000e+06
    or (resid 30 and name HG21) (resid 82 and name HN)
    or (resid 30 and name HG23) (resid 82 and name HN)
assign (resid 31 and name HA) (resid 31 and name HB2) 2.598 0.844 0.844 weight 1.000 ! spec=HCH, no=278, id=3360, vol=4.170000e+07
    or (resid 31 and name HA) (resid 31 and name HB1)
assign (resid 31 and name HA) (resid 32 and name HA) 4.009 2.009 2.009 weight 1.000 ! spec=HCH, no=282, id=3364, vol=3.090000e+06
assign (resid 31 and name HA) (resid 36 and name HA) 2.840 1.008 1.008 weight 1.000 ! spec=HCH, no=283, id=3365, vol=2.450000e+07
assign (resid 31 and name HA) (resid 36 and name HB2) 3.666 1.680 1.680 weight 1.000 ! spec=HCH, no=284, id=3366, vol=5.280000e+06
assign (resid 31 and name HB2) (resid 24 and name HA) 3.942 1.942 1.942 weight 1.000 ! spec=HCH, no=288, id=3370, vol=3.420000e+06
assign (resid 31 and name HA) (resid 31 and name HB2) 2.914 1.061 1.061 weight 1.000 ! spec=HCH, no=290, id=3372, vol=2.100000e+07
assign (resid 31 and name HB2) (resid 157 and name HD12) 3.264 1.332 1.332 weight 1.000 ! spec=HCH, no=291, id=3373, vol=1.060000e+07
    or (resid 31 and name HB2) (resid 157 and name HD11)
    or (resid 31 and name HB2) (resid 157 and name HD13)
assign (resid 31 and name HG2) (resid 34 and name HA) 3.191 1.273 1.273 weight 1.000 ! spec=HCH, no=293, id=3375, vol=1.210000e+07
assign (resid 31 and name HG2) (resid 31 and name HN) 3.357 1.409 1.409 weight 1.000 ! spec=HCH, no=302, id=3384, vol=8.960000e+06
assign (resid 31 and name HG1) (resid 31 and name HN) 3.284 1.348 1.348 weight 1.000 ! spec=HCH, no=303, id=3385, vol=1.020000e+07
assign (resid 31 and name HG2) (resid 31 and name HA) 3.027 1.145 1.145 weight 1.000 ! spec=HCH, no=304, id=3386, vol=1.670000e+07
assign (resid 31 and name HG1) (resid 31 and name HA) 2.931 1.074 1.074 weight 1.000 ! spec=HCH, no=305, id=3387, vol=2.020000e+07
assign (resid 31 and name HG2) (resid 32 and name HN) 3.053 1.165 1.165 weight 1.000 ! spec=HCH, no=308, id=3390, vol=1.580000e+07
assign (resid 31 and name HG2) (resid 157 and name HD12) 2.883 1.039 1.039 weight 1.000 ! spec=HCH, no=310, id=3392, vol=2.230000e+07
    or (resid 31 and name HG2) (resid 157 and name HD11)
    or (resid 31 and name HG2) (resid 157 and name HD13)
assign (resid 32 and name HN) (resid 32 and name HA) 2.981 1.111 1.111 weight 1.000 ! spec=HCH, no=317, id=3399, vol=1.830000e+07
assign (resid 32 and name HA) (resid 32 and name HB2) 2.644 0.874 0.874 weight 1.000 ! spec=HCH, no=318, id=3400, vol=3.750000e+07
assign (resid 32 and name HA) (resid 32 and name HB1) 2.652 0.879 0.879 weight 1.000 ! spec=HCH, no=319, id=3401, vol=3.690000e+07
assign (resid 32 and name HA) (resid 33 and name HA) 3.183 1.266 1.266 weight 1.000 ! spec=HCH, no=322, id=3404, vol=1.230000e+07
assign (resid 32 and name HA) (resid 33 and name HG1) 2.984 1.113 1.113 weight 1.000 ! spec=HCH, no=323, id=3405, vol=1.820000e+07
assign (resid 32 and name HB2) (resid 32 and name HB1) 2.507 0.786 0.786 weight 1.000 ! spec=HCH, no=325, id=3407, vol=5.170000e+07
assign (resid 32 and name HB2) (resid 32 and name HD1) 2.838 1.006 1.006 weight 1.000 ! spec=HCH, no=333, id=3415, vol=2.460000e+07
assign (resid 32 and name HB2) (resid 37 and name HD1) 3.404 1.448 1.448 weight 1.000 ! spec=HCH, no=337, id=3419, vol=8.250000e+06
assign (resid 32 and name HB1) (resid 74 and name HE1) 3.757 1.764 1.764 weight 1.000 ! spec=HCH, no=342, id=3424, vol=4.560000e+06
assign (resid 32 and name HB1) (resid 74 and name HE2) 3.774 1.780 1.780 weight 1.000 ! spec=HCH, no=343, id=3425, vol=4.440000e+06
assign (resid 33 and name HA) (resid 33 and name HB2) 2.405 0.723 0.723 weight 1.000 ! spec=HCH, no=345, id=3427, vol=6.620000e+07
    or (resid 33 and name HA) (resid 33 and name HB1)
assign (resid 33 and name HE21) (resid 33 and name HA) 3.826 1.830 1.830 weight 1.000 ! spec=HCH, no=351, id=3432, vol=4.090000e+06
assign (resid 33 and name HA) (resid 33 and name HG2) 2.830 1.001 1.001 weight 1.000 ! spec=HCH, no=352, id=3433, vol=2.500000e+07
assign (resid 33 and name HA) (resid 33 and name HG1) 2.572 0.827 0.827 weight 1.000 ! spec=HCH, no=353, id=3434, vol=4.430000e+07
assign (resid 33 and name HA) (resid 34 and name HA) 3.841 1.844 1.844 weight 1.000 ! spec=HCH, no=354, id=3435, vol=3.990000e+06
assign (resid 33 and name HN) (resid 33 and name HB2) 3.543 1.569 1.569 weight 1.000 ! spec=HCH, no=358, id=3439, vol=6.480000e+06
assign (resid 33 and name HA) (resid 33 and name HB2) 2.771 0.960 0.960 weight 1.000 ! spec=HCH, no=359, id=3440, vol=2.830000e+07
assign (resid 33 and name HE21) (resid 33 and name HB2) 3.447 1.486 1.486 weight 1.000 ! spec=HCH, no=360, id=3441, vol=7.640000e+06
assign (resid 33 and name HB2) (resid 34 and name HB2) 3.812 1.817 1.817 weight 1.000 ! spec=HCH, no=363, id=3443, vol=4.180000e+06
assign (resid 33 and name HG1) (resid 33 and name HG2) 2.220 0.616 0.616 weight 1.000 ! spec=HCH, no=377, id=3456, vol=1.070000e+08
assign (resid 33 and name HB2) (resid 33 and name HG2) 2.578 0.831 0.831 weight 1.000 ! spec=HCH, no=380, id=3458, vol=4.370000e+07
assign (resid 33 and name HB2) (resid 33 and name HG1) 2.358 0.695 0.695 weight 1.000 ! spec=HCH, no=381, id=3459, vol=7.460000e+07
assign (resid 34 and name HB2) (resid 34 and name HA) 2.464 0.759 0.759 weight 1.000 ! spec=HCH, no=397, id=3474, vol=5.730000e+07
assign (resid 35 and name HA) (resid 35 and name HB1) 3.110 1.209 1.209 weight 1.000 ! spec=HCH, no=405, id=3480, vol=1.420000e+07
assign (resid 35 and name HA) (resid 156 and name HA) 2.675 0.894 0.894 weight 1.000 ! spec=HCH, no=407, id=3482, vol=3.500000e+07
assign (resid 35 and name HA) (resid 156 and name HB2) 2.941 1.081 1.081 weight 1.000 ! spec=HCH, no=408, id=3483, vol=1.980000e+07
    or (resid 35 and name HA) (resid 156 and name HB1)
    or (resid 35 and name HA) (resid 156 and name HB3)
assign (resid 35 and name HA) (resid 157 and name HG11) 2.941 1.081 1.081 weight 1.000 ! spec=HCH, no=409, id=3484, vol=1.980000e+07
assign (resid 35 and name HA) (resid 157 and name HD12) 3.191 1.273 1.273 weight 1.000 ! spec=HCH, no=410, id=3485, vol=1.220000e+07
    or (resid 35 and name HA) (resid 157 and name HD11)
    or (resid 35 and name HA) (resid 157 and name HD13)
assign (resid 35 and name HB1) (resid 37 and name HE1) 3.119 1.216 1.216 weight 1.000 ! spec=HCH, no=413, id=3488, vol=1.390000e+07
    or (resid 35 and name HB1) (resid 37 and name HE2)
assign (resid 35 and name HN) (resid 35 and name HB2) 3.049 1.162 1.162 weight 1.000 ! spec=HCH, no=414, id=3489, vol=1.600000e+07
assign (resid 35 and name HA) (resid 35 and name HB2) 2.820 0.994 0.994 weight 1.000 ! spec=HCH, no=416, id=3491, vol=2.550000e+07
assign (resid 35 and name HB1) (resid 35 and name HB2) 2.399 0.719 0.719 weight 1.000 ! spec=HCH, no=420, id=3494, vol=6.730000e+07
assign (resid 36 and name HN) (resid 35 and name HB2) 2.781 0.967 0.967 weight 1.000 ! spec=HCH, no=422, id=3495, vol=2.770000e+07
assign (resid 35 and name HB2) (resid 154 and name HG2) 3.102 1.203 1.203 weight 1.000 ! spec=HCH, no=426, id=3499, vol=1.440000e+07
assign (resid 35 and name HB1) (resid 154 and name HG2) 3.626 1.644 1.644 weight 1.000 ! spec=HCH, no=427, id=3500, vol=5.640000e+06
assign (resid 35 and name HB2) (resid 154 and name HG1) 3.350 1.403 1.403 weight 1.000 ! spec=HCH, no=428, id=3501, vol=9.080000e+06
assign (resid 35 and name HB1) (resid 154 and name HG1) 3.669 1.683 1.683 weight 1.000 ! spec=HCH, no=429, id=3502, vol=5.260000e+06
assign (resid 35 and name HB1) (resid 154 and name HD2) 3.746 1.754 1.754 weight 1.000 ! spec=HCH, no=431, id=3504, vol=4.640000e+06
assign (resid 35 and name HB2) (resid 154 and name HE2) 3.239 1.311 1.311 weight 1.000 ! spec=HCH, no=432, id=3505, vol=1.110000e+07
assign (resid 35 and name HB1) (resid 154 and name HE2) 3.540 1.567 1.567 weight 1.000 ! spec=HCH, no=433, id=3506, vol=6.510000e+06
assign (resid 35 and name HB2) (resid 156 and name HA) 3.270 1.337 1.337 weight 1.000 ! spec=HCH, no=435, id=3508, vol=1.050000e+07
assign (resid 35 and name HB1) (resid 156 and name HA) 3.476 1.511 1.511 weight 1.000 ! spec=HCH, no=436, id=3509, vol=7.270000e+06
assign (resid 36 and name HA) (resid 74 and name HE1) 4.222 2.229 2.229 weight 1.000 ! spec=HCH, no=448, id=3521, vol=2.260000e+06
assign (resid 36 and name HA) (resid 154 and name HG1) 3.698 1.710 1.710 weight 1.000 ! spec=HCH, no=457, id=3530, vol=5.010000e+06
assign (resid 36 and name HN) (resid 36 and name HA) 3.020 1.140 1.140 weight 1.000 ! spec=HCH, no=463, id=3536, vol=1.690000e+07
assign (resid 36 and name HA) (resid 36 and name HB2) 3.037 1.153 1.153 weight 1.000 ! spec=HCH, no=465, id=3537, vol=1.630000e+07
assign (resid 36 and name HA) (resid 36 and name HB1) 3.027 1.145 1.145 weight 1.000 ! spec=HCH, no=466, id=3538, vol=1.670000e+07
assign (resid 36 and name HA) (resid 37 and name HB1) 3.396 1.442 1.442 weight 1.000 ! spec=HCH, no=468, id=3540, vol=8.360000e+06
assign (resid 36 and name HA) (resid 37 and name HE1) 3.206 1.285 1.285 weight 1.000 ! spec=HCH, no=470, id=3542, vol=1.180000e+07
assign (resid 36 and name HA) (resid 155 and name HG21) 3.601 1.621 1.621 weight 1.000 ! spec=HCH, no=471, id=3543, vol=5.880000e+06
    or (resid 36 and name HA) (resid 155 and name HG22)
    or (resid 36 and name HA) (resid 155 and name HG23)
assign (resid 36 and name HA) (resid 157 and name HG22) 3.752 1.760 1.760 weight 1.000 ! spec=HCH, no=472, id=3544, vol=4.590000e+06
    or (resid 36 and name HA) (resid 157 and name HG21)
    or (resid 36 and name HA) (resid 157 and name HG23)
assign (resid 36 and name HB2) (resid 24 and name HA) 4.032 2.032 2.032 weight 1.000 ! spec=HCH, no=478, id=3550, vol=2.990000e+06
assign (resid 36 and name HB1) (resid 24 and name HA) 3.750 1.757 1.757 weight 1.000 ! spec=HCH, no=479, id=3551, vol=4.610000e+06
assign (resid 36 and name HB2) (resid 25 and name HD2) 4.113 2.114 2.114 weight 1.000 ! spec=HCH, no=480, id=3552, vol=2.650000e+06
assign (resid 36 and name HB1) (resid 25 and name HD2) 3.934 1.935 1.935 weight 1.000 ! spec=HCH, no=481, id=3553, vol=3.460000e+06
assign (resid 36 and name HB1) (resid 31 and name HA) 4.181 2.185 2.185 weight 1.000 ! spec=HCH, no=485, id=3557, vol=2.400000e+06
assign (resid 36 and name HB2) (resid 35 and name HA) 4.009 2.009 2.009 weight 1.000 ! spec=HCH, no=486, id=3558, vol=3.090000e+06
assign (resid 36 and name HB1) (resid 36 and name HB2) 2.470 0.763 0.763 weight 1.000 ! spec=HCH, no=490, id=3561, vol=5.650000e+07
assign (resid 36 and name HB1) (resid 37 and name HN) 3.502 1.533 1.533 weight 1.000 ! spec=HCH, no=494, id=3564, vol=6.950000e+06
assign (resid 36 and name HB1) (resid 156 and name HA) 4.102 2.103 2.103 weight 1.000 ! spec=HCH, no=502, id=3572, vol=2.690000e+06
assign (resid 37 and name HA) (resid 83 and name HH2) 3.505 1.536 1.536 weight 1.000 ! spec=HCH, no=505, id=3575, vol=6.910000e+06
assign (resid 37 and name HA) (resid 37 and name HE1) 3.697 1.708 1.708 weight 1.000 ! spec=HCH, no=507, id=3577, vol=5.020000e+06
    or (resid 37 and name HA) (resid 37 and name HE2)
assign (resid 37 and name HA) (resid 38 and name HA) 3.924 1.925 1.925 weight 1.000 ! spec=HCH, no=508, id=3578, vol=3.510000e+06
assign (resid 153 and name HN) (resid 37 and name HA) 3.738 1.747 1.747 weight 1.000 ! spec=HCH, no=510, id=3580, vol=4.700000e+06
assign (resid 37 and name HA) (resid 29 and name HZ3) 3.993 1.993 1.993 weight 1.000 ! spec=HCH, no=513, id=3582, vol=3.160000e+06
assign (resid 37 and name HA) (resid 37 and name HN) 3.288 1.352 1.352 weight 1.000 ! spec=HCH, no=514, id=3583, vol=1.010000e+07
assign (resid 37 and name HA) (resid 37 and name HB2) 2.883 1.039 1.039 weight 1.000 ! spec=HCH, no=516, id=3584, vol=2.230000e+07
assign (resid 37 and name HA) (resid 37 and name HB1) 3.045 1.159 1.159 weight 1.000 ! spec=HCH, no=517, id=3585, vol=1.610000e+07
assign (resid 37 and name HA) (resid 37 and name HD1) 3.156 1.245 1.245 weight 1.000 ! spec=HCH, no=518, id=3586, vol=1.300000e+07
assign (resid 37 and name HA) (resid 152 and name HD12) 3.286 1.350 1.350 weight 1.000 ! spec=HCH, no=520, id=3588, vol=1.020000e+07
    or (resid 37 and name HA) (resid 152 and name HD11)
    or (resid 37 and name HA) (resid 152 and name HD13)
assign (resid 37 and name HA) (resid 152 and name HD22) 3.286 1.350 1.350 weight 1.000 ! spec=HCH, no=521, id=3589, vol=1.020000e+07
    or (resid 37 and name HA) (resid 152 and name HD21)
    or (resid 37 and name HA) (resid 152 and name HD23)
assign (resid 37 and name HA) (resid 153 and name HB2) 4.161 2.164 2.164 weight 1.000 ! spec=HCH, no=522, id=3590, vol=2.470000e+06
assign (resid 37 and name HA) (resid 153 and name HB1) 3.706 1.717 1.717 weight 1.000 ! spec=HCH, no=523, id=3591, vol=4.950000e+06
assign (resid 37 and name HA) (resid 154 and name HA) 2.716 0.922 0.922 weight 1.000 ! spec=HCH, no=524, id=3592, vol=3.200000e+07
assign (resid 37 and name HA) (resid 154 and name HB2) 3.545 1.571 1.571 weight 1.000 ! spec=HCH, no=525, id=3593, vol=6.460000e+06
assign (resid 37 and name HA) (resid 154 and name HG1) 3.761 1.768 1.768 weight 1.000 ! spec=HCH, no=526, id=3594, vol=4.530000e+06
assign (resid 37 and name HA) (resid 155 and name HB) 4.046 2.047 2.047 weight 1.000 ! spec=HCH, no=527, id=3595, vol=2.920000e+06
assign (resid 37 and name HB1) (resid 74 and name HE1) 3.742 1.751 1.751 weight 1.000 ! spec=HCH, no=532, id=3599, vol=4.670000e+06
assign (resid 37 and name HB2) (resid 37 and name HB1) 2.542 0.808 0.808 weight 1.000 ! spec=HCH, no=537, id=3604, vol=4.750000e+07
assign (resid 37 and name HB2) (resid 37 and name HD1) 2.807 0.985 0.985 weight 1.000 ! spec=HCH, no=539, id=3605, vol=2.620000e+07
assign (resid 37 and name HB2) (resid 152 and name HD22) 3.065 1.174 1.174 weight 1.000 ! spec=HCH, no=547, id=3613, vol=1.550000e+07
    or (resid 37 and name HB2) (resid 152 and name HD21)
    or (resid 37 and name HB2) (resid 152 and name HD23)
assign (resid 37 and name HB1) (resid 152 and name HD22) 3.162 1.250 1.250 weight 1.000 ! spec=HCH, no=548, id=3614, vol=1.280000e+07
    or (resid 37 and name HB1) (resid 152 and name HD21)
    or (resid 37 and name HB1) (resid 152 and name HD23)
assign (resid 38 and name HN) (resid 38 and name HA) 3.040 1.155 1.155 weight 1.000 ! spec=HCH, no=549, id=3615, vol=1.620000e+07
assign (resid 38 and name HA) (resid 38 and name HB) 2.699 0.911 0.911 weight 1.000 ! spec=HCH, no=550, id=3616, vol=3.320000e+07
assign (resid 38 and name HA) (resid 38 and name HG12) 2.886 1.041 1.041 weight 1.000 ! spec=HCH, no=551, id=3617, vol=2.220000e+07
assign (resid 38 and name HA) (resid 38 and name HG11) 2.690 0.904 0.904 weight 1.000 ! spec=HCH, no=552, id=3618, vol=3.390000e+07
assign (resid 39 and name HN) (resid 38 and name HA) 2.610 0.851 0.851 weight 1.000 ! spec=HCH, no=555, id=3621, vol=4.060000e+07
assign (resid 38 and name HA) (resid 83 and name HH2) 2.674 0.894 0.894 weight 1.000 ! spec=HCH, no=557, id=3623, vol=3.510000e+07
assign (resid 38 and name HB) (resid 29 and name HA) 3.714 1.724 1.724 weight 1.000 ! spec=HCH, no=559, id=3625, vol=4.890000e+06
assign (resid 38 and name HG22) (resid 29 and name HE3) 3.307 1.367 1.367 weight 1.000 ! spec=HCH, no=561, id=3627, vol=9.800000e+06
    or (resid 38 and name HG21) (resid 29 and name HE3)
    or (resid 38 and name HG23) (resid 29 and name HE3)
assign (resid 39 and name HN) (resid 38 and name HG22) 3.255 1.325 1.325 weight 1.000 ! spec=HCH, no=568, id=3633, vol=1.080000e+07
    or (resid 39 and name HN) (resid 38 and name HG21)
    or (resid 39 and name HN) (resid 38 and name HG23)
assign (resid 38 and name HD12) (resid 26 and name HN) 3.678 1.691 1.691 weight 1.000 ! spec=HCH, no=570, id=3635, vol=5.180000e+06
    or (resid 38 and name HD11) (resid 26 and name HN)
    or (resid 38 and name HD13) (resid 26 and name HN)
assign (resid 38 and name HD12) (resid 30 and name HG11) 4.098 2.100 2.100 weight 1.000 ! spec=HCH, no=579, id=3644, vol=2.710000e+06
    or (resid 38 and name HD11) (resid 30 and name HG11)
    or (resid 38 and name HD13) (resid 30 and name HG11)
assign (resid 38 and name HD12) (resid 25 and name HD2) 4.027 2.027 2.027 weight 1.000 ! spec=HCH, no=580, id=3645, vol=3.010000e+06
    or (resid 38 and name HD11) (resid 25 and name HD2)
    or (resid 38 and name HD13) (resid 25 and name HD2)
assign (resid 28 and name HA) (resid 38 and name HD12) 3.626 1.644 1.644 weight 1.000 ! spec=HCH, no=581, id=3646, vol=5.640000e+06
    or (resid 28 and name HA) (resid 38 and name HD11)
    or (resid 28 and name HA) (resid 38 and name HD13)
assign (resid 38 and name HD12) (resid 29 and name HA) 3.170 1.256 1.256 weight 1.000 ! spec=HCH, no=583, id=3648, vol=1.260000e+07
    or (resid 38 and name HD11) (resid 29 and name HA)
    or (resid 38 and name HD13) (resid 29 and name HA)
assign (resid 38 and name HD12) (resid 29 and name HZ2) 3.044 1.158 1.158 weight 1.000 ! spec=HCH, no=586, id=3651, vol=1.610000e+07
    or (resid 38 and name HD11) (resid 29 and name HZ2)
    or (resid 38 and name HD13) (resid 29 and name HZ2)
assign (resid 38 and name HD12) (resid 29 and name HB2) 3.645 1.661 1.661 weight 1.000 ! spec=HCH, no=588, id=3653, vol=5.470000e+06
    or (resid 38 and name HD11) (resid 29 and name HB2)
    or (resid 38 and name HD13) (resid 29 and name HB2)
assign (resid 30 and name HN) (resid 38 and name HD12) 4.081 2.082 2.082 weight 1.000 ! spec=HCH, no=589, id=3654, vol=2.780000e+06
    or (resid 30 and name HN) (resid 38 and name HD11)
    or (resid 30 and name HN) (resid 38 and name HD13)
assign (resid 38 and name HN) (resid 38 and name HD12) 3.641 1.658 1.658 weight 1.000 ! spec=HCH, no=590, id=3655, vol=5.500000e+06
    or (resid 38 and name HN) (resid 38 and name HD11)
    or (resid 38 and name HN) (resid 38 and name HD13)
assign (resid 38 and name HA) (resid 38 and name HD12) 2.919 1.065 1.065 weight 1.000 ! spec=HCH, no=591, id=3656, vol=2.070000e+07
    or (resid 38 and name HA) (resid 38 and name HD11)
    or (resid 38 and name HA) (resid 38 and name HD13)
assign (resid 38 and name HB) (resid 38 and name HD12) 2.346 0.688 0.688 weight 1.000 ! spec=HCH, no=592, id=3657, vol=7.700000e+07
    or (resid 38 and name HB) (resid 38 and name HD11)
    or (resid 38 and name HB) (resid 38 and name HD13)
assign (resid 38 and name HD12) (resid 38 and name HG12) 2.176 0.592 0.592 weight 1.000 ! spec=HCH, no=593, id=3658, vol=1.210000e+08
    or (resid 38 and name HD11) (resid 38 and name HG12)
    or (resid 38 and name HD13) (resid 38 and name HG12)
assign (resid 38 and name HD12) (resid 38 and name HG11) 2.332 0.680 0.680 weight 1.000 ! spec=HCH, no=594, id=3659, vol=7.970000e+07
    or (resid 38 and name HD11) (resid 38 and name HG11)
    or (resid 38 and name HD13) (resid 38 and name HG11)
assign (resid 38 and name HD12) (resid 38 and name HD11) 1.361 0.232 0.232 weight 1.000 ! spec=HCH, no=595, id=3660, vol=2.020000e+09
    or (resid 38 and name HD12) (resid 38 and name HD13)
    or (resid 38 and name HD12) (resid 38 and name HD11)
    or (resid 38 and name HD11) (resid 38 and name HD13)
    or (resid 38 and name HD12) (resid 38 and name HD13)
    or (resid 38 and name HD11) (resid 38 and name HD13)
assign (resid 38 and name HD12) (resid 38 and name HG22) 2.196 0.603 0.603 weight 1.000 ! spec=HCH, no=596, id=3661, vol=1.140000e+08
    or (resid 38 and name HD12) (resid 38 and name HG21)
    or (resid 38 and name HD12) (resid 38 and name HG23)
    or (resid 38 and name HD11) (resid 38 and name HG22)
    or (resid 38 and name HD11) (resid 38 and name HG21)
    or (resid 38 and name HD11) (resid 38 and name HG23)
    or (resid 38 and name HD13) (resid 38 and name HG22)
    or (resid 38 and name HD13) (resid 38 and name HG21)
    or (resid 38 and name HD13) (resid 38 and name HG23)
assign (resid 39 and name HN) (resid 38 and name HD12) 3.265 1.333 1.333 weight 1.000 ! spec=HCH, no=597, id=3662, vol=1.060000e+07
    or (resid 39 and name HN) (resid 38 and name HD11)
    or (resid 39 and name HN) (resid 38 and name HD13)
assign (resid 40 and name HN) (resid 38 and name HD12) 3.837 1.841 1.841 weight 1.000 ! spec=HCH, no=598, id=3663, vol=4.020000e+06
    or (resid 40 and name HN) (resid 38 and name HD11)
    or (resid 40 and name HN) (resid 38 and name HD13)
assign (resid 38 and name HD12) (resid 40 and name HD12) 2.213 0.612 0.612 weight 1.000 ! spec=HCH, no=599, id=3664, vol=1.090000e+08
    or (resid 38 and name HD12) (resid 40 and name HD11)
    or (resid 38 and name HD12) (resid 40 and name HD13)
    or (resid 38 and name HD11) (resid 40 and name HD12)
    or (resid 38 and name HD11) (resid 40 and name HD11)
    or (resid 38 and name HD11) (resid 40 and name HD13)
    or (resid 38 and name HD13) (resid 40 and name HD12)
    or (resid 38 and name HD13) (resid 40 and name HD11)
    or (resid 38 and name HD13) (resid 40 and name HD13)
assign (resid 38 and name HD12) (resid 59 and name HB1) 3.787 1.793 1.793 weight 1.000 ! spec=HCH, no=600, id=3665, vol=4.350000e+06
    or (resid 38 and name HD11) (resid 59 and name HB1)
    or (resid 38 and name HD13) (resid 59 and name HB1)
assign (resid 38 and name HD12) (resid 153 and name HB2) 3.480 1.514 1.514 weight 1.000 ! spec=HCH, no=603, id=3668, vol=7.220000e+06
    or (resid 38 and name HD11) (resid 153 and name HB2)
    or (resid 38 and name HD13) (resid 153 and name HB2)
assign (resid 38 and name HG11) (resid 83 and name HD1) 3.650 1.665 1.665 weight 1.000 ! spec=HCH, no=604, id=3669, vol=5.420000e+06
assign (resid 38 and name HG11) (resid 38 and name HN) 3.868 1.870 1.870 weight 1.000 ! spec=HCH, no=605, id=3670, vol=3.830000e+06
assign (resid 39 and name HN) (resid 38 and name HG11) 3.204 1.283 1.283 weight 1.000 ! spec=HCH, no=610, id=3675, vol=1.190000e+07
assign (resid 38 and name HG12) (resid 29 and name HA) 4.154 2.157 2.157 weight 1.000 ! spec=HCH, no=612, id=3676, vol=2.500000e+06
assign (resid 38 and name HG11) (resid 29 and name HA) 3.625 1.643 1.643 weight 1.000 ! spec=HCH, no=613, id=3677, vol=5.650000e+06
assign (resid 38 and name HG12) (resid 38 and name HN) 4.188 2.192 2.192 weight 1.000 ! spec=HCH, no=614, id=3678, vol=2.380000e+06
assign (resid 38 and name HG12) (resid 38 and name HB) 2.702 0.912 0.912 weight 1.000 ! spec=HCH, no=617, id=3681, vol=3.300000e+07
assign (resid 38 and name HB) (resid 38 and name HG11) 2.653 0.880 0.880 weight 1.000 ! spec=HCH, no=618, id=3682, vol=3.680000e+07
assign (resid 38 and name HG11) (resid 38 and name HG12) 2.367 0.700 0.700 weight 1.000 ! spec=HCH, no=620, id=3683, vol=7.290000e+07
assign (resid 38 and name HG12) (resid 38 and name HG22) 3.033 1.150 1.150 weight 1.000 ! spec=HCH, no=625, id=3687, vol=1.650000e+07
    or (resid 38 and name HG12) (resid 38 and name HG21)
    or (resid 38 and name HG12) (resid 38 and name HG23)
assign (resid 39 and name HN) (resid 38 and name HG12) 3.448 1.486 1.486 weight 1.000 ! spec=HCH, no=627, id=3689, vol=7.630000e+06
assign (resid 38 and name HG22) (resid 40 and name HD12) 2.487 0.773 0.773 weight 1.000 ! spec=HCH, no=631, id=3693, vol=5.420000e+07
    or (resid 38 and name HG22) (resid 40 and name HD11)
    or (resid 38 and name HG22) (resid 40 and name HD13)
    or (resid 38 and name HG21) (resid 40 and name HD12)
    or (resid 38 and name HG21) (resid 40 and name HD11)
    or (resid 38 and name HG21) (resid 40 and name HD13)
    or (resid 38 and name HG23) (resid 40 and name HD12)
    or (resid 38 and name HG23) (resid 40 and name HD11)
    or (resid 38 and name HG23) (resid 40 and name HD13)
assign (resid 38 and name HG22) (resid 29 and name HA) 3.523 1.551 1.551 weight 1.000 ! spec=HCH, no=632, id=3694, vol=6.710000e+06
    or (resid 38 and name HG21) (resid 29 and name HA)
    or (resid 38 and name HG23) (resid 29 and name HA)
assign (resid 37 and name HA) (resid 38 and name HG22) 3.389 1.436 1.436 weight 1.000 ! spec=HCH, no=635, id=3697, vol=8.460000e+06
    or (resid 37 and name HA) (resid 38 and name HG21)
    or (resid 37 and name HA) (resid 38 and name HG23)
assign (resid 38 and name HA) (resid 38 and name HG22) 3.044 1.158 1.158 weight 1.000 ! spec=HCH, no=638, id=3700, vol=1.610000e+07
    or (resid 38 and name HA) (resid 38 and name HG21)
    or (resid 38 and name HA) (resid 38 and name HG23)
assign (resid 38 and name HB) (resid 38 and name HG22) 2.437 0.742 0.742 weight 1.000 ! spec=HCH, no=639, id=3701, vol=6.130000e+07
    or (resid 38 and name HB) (resid 38 and name HG21)
    or (resid 38 and name HB) (resid 38 and name HG23)
assign (resid 38 and name HG11) (resid 38 and name HG22) 2.894 1.047 1.047 weight 1.000 ! spec=HCH, no=640, id=3702, vol=2.190000e+07
    or (resid 38 and name HG11) (resid 38 and name HG21)
    or (resid 38 and name HG11) (resid 38 and name HG23)
assign (resid 38 and name HG22) (resid 38 and name HG21) 1.527 0.291 0.291 weight 1.000 ! spec=HCH, no=642, id=3704, vol=1.010000e+09
    or (resid 38 and name HG22) (resid 38 and name HG23)
    or (resid 38 and name HG22) (resid 38 and name HG21)
    or (resid 38 and name HG21) (resid 38 and name HG23)
    or (resid 38 and name HG22) (resid 38 and name HG23)
    or (resid 38 and name HG21) (resid 38 and name HG23)
assign (resid 38 and name HG22) (resid 40 and name HA) 3.783 1.789 1.789 weight 1.000 ! spec=HCH, no=643, id=3705, vol=4.370000e+06
    or (resid 38 and name HG21) (resid 40 and name HA)
    or (resid 38 and name HG23) (resid 40 and name HA)
assign (resid 38 and name HG22) (resid 40 and name HG) 2.889 1.043 1.043 weight 1.000 ! spec=HCH, no=645, id=3707, vol=2.210000e+07
    or (resid 38 and name HG21) (resid 40 and name HG)
    or (resid 38 and name HG23) (resid 40 and name HG)
assign (resid 38 and name HG22) (resid 40 and name HD22) 2.969 1.102 1.102 weight 1.000 ! spec=HCH, no=647, id=3709, vol=1.870000e+07
    or (resid 38 and name HG22) (resid 40 and name HD21)
    or (resid 38 and name HG22) (resid 40 and name HD23)
    or (resid 38 and name HG21) (resid 40 and name HD22)
    or (resid 38 and name HG21) (resid 40 and name HD21)
    or (resid 38 and name HG21) (resid 40 and name HD23)
    or (resid 38 and name HG23) (resid 40 and name HD22)
    or (resid 38 and name HG23) (resid 40 and name HD21)
    or (resid 38 and name HG23) (resid 40 and name HD23)
assign (resid 38 and name HG22) (resid 59 and name HB1) 3.776 1.782 1.782 weight 1.000 ! spec=HCH, no=648, id=3710, vol=4.420000e+06
    or (resid 38 and name HG21) (resid 59 and name HB1)
    or (resid 38 and name HG23) (resid 59 and name HB1)
assign (resid 38 and name HG22) (resid 152 and name HA) 3.602 1.622 1.622 weight 1.000 ! spec=HCH, no=651, id=3713, vol=5.870000e+06
    or (resid 38 and name HG21) (resid 152 and name HA)
    or (resid 38 and name HG23) (resid 152 and name HA)
assign (resid 38 and name HG22) (resid 152 and name HD12) 3.416 1.458 1.458 weight 1.000 ! spec=HCH, no=652, id=3714, vol=8.070000e+06
    or (resid 38 and name HG22) (resid 152 and name HD11)
    or (resid 38 and name HG22) (resid 152 and name HD13)
    or (resid 38 and name HG21) (resid 152 and name HD12)
    or (resid 38 and name HG21) (resid 152 and name HD11)
    or (resid 38 and name HG21) (resid 152 and name HD13)
    or (resid 38 and name HG23) (resid 152 and name HD12)
    or (resid 38 and name HG23) (resid 152 and name HD11)
    or (resid 38 and name HG23) (resid 152 and name HD13)
assign (resid 38 and name HG22) (resid 153 and name HB2) 2.525 0.797 0.797 weight 1.000 ! spec=HCH, no=655, id=3717, vol=4.940000e+07
    or (resid 38 and name HG21) (resid 153 and name HB2)
    or (resid 38 and name HG23) (resid 153 and name HB2)
assign (resid 38 and name HG22) (resid 153 and name HB1) 2.766 0.956 0.956 weight 1.000 ! spec=HCH, no=656, id=3718, vol=2.860000e+07
    or (resid 38 and name HG21) (resid 153 and name HB1)
    or (resid 38 and name HG23) (resid 153 and name HB1)
assign (resid 38 and name HG22) (resid 154 and name HA) 3.983 1.983 1.983 weight 1.000 ! spec=HCH, no=658, id=3720, vol=3.210000e+06
    or (resid 38 and name HG21) (resid 154 and name HA)
    or (resid 38 and name HG23) (resid 154 and name HA)
assign (resid 38 and name HG22) (resid 155 and name HB) 4.013 2.013 2.013 weight 1.000 ! spec=HCH, no=659, id=3721, vol=3.070000e+06
    or (resid 38 and name HG21) (resid 155 and name HB)
    or (resid 38 and name HG23) (resid 155 and name HB)
assign (resid 39 and name HA) (resid 39 and name HB1) 2.863 1.024 1.024 weight 1.000 ! spec=HCH, no=665, id=3727, vol=2.330000e+07
assign (resid 39 and name HB1) (resid 39 and name HB2) 2.405 0.723 0.723 weight 1.000 ! spec=HCH, no=672, id=3733, vol=6.620000e+07
assign (resid 39 and name HB2) (resid 40 and name HA) 3.435 1.475 1.475 weight 1.000 ! spec=HCH, no=673, id=3734, vol=7.810000e+06
assign (resid 40 and name HA) (resid 38 and name HD12) 3.710 1.721 1.721 weight 1.000 ! spec=HCH, no=678, id=3739, vol=4.910000e+06
    or (resid 40 and name HA) (resid 38 and name HD11)
    or (resid 40 and name HA) (resid 38 and name HD13)
assign (resid 40 and name HA) (resid 40 and name HB2) 2.613 0.853 0.853 weight 1.000 ! spec=HCH, no=680, id=3741, vol=4.030000e+07
assign (resid 40 and name HA) (resid 40 and name HB1) 3.005 1.129 1.129 weight 1.000 ! spec=HCH, no=681, id=3742, vol=1.740000e+07
assign (resid 40 and name HA) (resid 40 and name HD12) 2.479 0.768 0.768 weight 1.000 ! spec=HCH, no=682, id=3743, vol=5.520000e+07
    or (resid 40 and name HA) (resid 40 and name HD11)
    or (resid 40 and name HA) (resid 40 and name HD13)
assign (resid 40 and name HA) (resid 42 and name HN) 3.624 1.641 1.641 weight 1.000 ! spec=HCH, no=685, id=3746, vol=5.670000e+06
assign (resid 40 and name HB2) (resid 38 and name HD12) 3.646 1.662 1.662 weight 1.000 ! spec=HCH, no=690, id=3751, vol=5.460000e+06
    or (resid 40 and name HB2) (resid 38 and name HD11)
    or (resid 40 and name HB2) (resid 38 and name HD13)
assign (resid 38 and name HG22) (resid 40 and name HB2) 3.762 1.769 1.769 weight 1.000 ! spec=HCH, no=691, id=3752, vol=4.520000e+06
    or (resid 38 and name HG21) (resid 40 and name HB2)
    or (resid 38 and name HG23) (resid 40 and name HB2)
assign (resid 40 and name HN) (resid 40 and name HB2) 3.155 1.244 1.244 weight 1.000 ! spec=HCH, no=692, id=3753, vol=1.300000e+07
assign (resid 40 and name HB1) (resid 40 and name HN) 3.070 1.178 1.178 weight 1.000 ! spec=HCH, no=693, id=3754, vol=1.530000e+07
assign (resid 40 and name HB1) (resid 40 and name HB2) 2.323 0.674 0.674 weight 1.000 ! spec=HCH, no=696, id=3756, vol=8.170000e+07
assign (resid 40 and name HB2) (resid 40 and name HD12) 2.651 0.879 0.879 weight 1.000 ! spec=HCH, no=698, id=3758, vol=3.690000e+07
    or (resid 40 and name HB2) (resid 40 and name HD11)
    or (resid 40 and name HB2) (resid 40 and name HD13)
assign (resid 40 and name HB2) (resid 40 and name HD22) 2.670 0.891 0.891 weight 1.000 ! spec=HCH, no=700, id=3760, vol=3.540000e+07
    or (resid 40 and name HB2) (resid 40 and name HD21)
    or (resid 40 and name HB2) (resid 40 and name HD23)
assign (resid 41 and name HN) (resid 40 and name HB2) 3.717 1.727 1.727 weight 1.000 ! spec=HCH, no=702, id=3762, vol=4.860000e+06
assign (resid 40 and name HD12) (resid 64 and name HN) 4.339 2.353 2.353 weight 1.000 ! spec=HCH, no=709, id=3769, vol=1.920000e+06
    or (resid 40 and name HD11) (resid 64 and name HN)
    or (resid 40 and name HD13) (resid 64 and name HN)
assign (resid 40 and name HD12) (resid 39 and name HB1) 4.127 2.129 2.129 weight 1.000 ! spec=HCH, no=717, id=3777, vol=2.600000e+06
    or (resid 40 and name HD11) (resid 39 and name HB1)
    or (resid 40 and name HD13) (resid 39 and name HB1)
assign (resid 151 and name HN) (resid 40 and name HD12) 3.924 1.925 1.925 weight 1.000 ! spec=HCH, no=719, id=3779, vol=3.510000e+06
    or (resid 151 and name HN) (resid 40 and name HD11)
    or (resid 151 and name HN) (resid 40 and name HD13)
assign (resid 40 and name HD12) (resid 38 and name HA) 3.509 1.539 1.539 weight 1.000 ! spec=HCH, no=721, id=3781, vol=6.870000e+06
    or (resid 40 and name HD11) (resid 38 and name HA)
    or (resid 40 and name HD13) (resid 38 and name HA)
assign (resid 42 and name HN) (resid 40 and name HD12) 3.745 1.753 1.753 weight 1.000 ! spec=HCH, no=723, id=3783, vol=4.650000e+06
    or (resid 42 and name HN) (resid 40 and name HD11)
    or (resid 42 and name HN) (resid 40 and name HD13)
assign (resid 40 and name HD12) (resid 39 and name HN) 3.718 1.728 1.728 weight 1.000 ! spec=HCH, no=725, id=3785, vol=4.850000e+06
    or (resid 40 and name HD11) (resid 39 and name HN)
    or (resid 40 and name HD13) (resid 39 and name HN)
assign (resid 40 and name HD12) (resid 38 and name HG11) 2.893 1.046 1.046 weight 1.000 ! spec=HCH, no=728, id=3788, vol=2.190000e+07
    or (resid 40 and name HD11) (resid 38 and name HG11)
    or (resid 40 and name HD13) (resid 38 and name HG11)
assign (resid 40 and name HD12) (resid 39 and name HD1) 3.891 1.893 1.893 weight 1.000 ! spec=HCH, no=731, id=3791, vol=3.690000e+06
    or (resid 40 and name HD11) (resid 39 and name HD1)
    or (resid 40 and name HD13) (resid 39 and name HD1)
assign (resid 40 and name HN) (resid 40 and name HD12) 2.920 1.066 1.066 weight 1.000 ! spec=HCH, no=732, id=3792, vol=2.070000e+07
    or (resid 40 and name HN) (resid 40 and name HD11)
    or (resid 40 and name HN) (resid 40 and name HD13)
assign (resid 40 and name HB1) (resid 40 and name HD12) 2.584 0.835 0.835 weight 1.000 ! spec=HCH, no=734, id=3794, vol=4.300000e+07
    or (resid 40 and name HB1) (resid 40 and name HD11)
    or (resid 40 and name HB1) (resid 40 and name HD13)
assign (resid 40 and name HD12) (resid 40 and name HG) 2.057 0.529 0.529 weight 1.000 ! spec=HCH, no=735, id=3795, vol=1.690000e+08
    or (resid 40 and name HD11) (resid 40 and name HG)
    or (resid 40 and name HD13) (resid 40 and name HG)
assign (resid 40 and name HD12) (resid 40 and name HD11) 1.291 0.208 0.208 weight 1.000 ! spec=HCH, no=736, id=3796, vol=2.770000e+09
    or (resid 40 and name HD12) (resid 40 and name HD13)
    or (resid 40 and name HD12) (resid 40 and name HD11)
    or (resid 40 and name HD11) (resid 40 and name HD13)
    or (resid 40 and name HD12) (resid 40 and name HD13)
    or (resid 40 and name HD11) (resid 40 and name HD13)
assign (resid 40 and name HD12) (resid 40 and name HD22) 2.007 0.504 0.504 weight 1.000 ! spec=HCH, no=737, id=3797, vol=1.960000e+08
    or (resid 40 and name HD12) (resid 40 and name HD21)
    or (resid 40 and name HD12) (resid 40 and name HD23)
    or (resid 40 and name HD11) (resid 40 and name HD22)
    or (resid 40 and name HD11) (resid 40 and name HD21)
    or (resid 40 and name HD11) (resid 40 and name HD23)
    or (resid 40 and name HD13) (resid 40 and name HD22)
    or (resid 40 and name HD13) (resid 40 and name HD21)
    or (resid 40 and name HD13) (resid 40 and name HD23)
assign (resid 40 and name HD12) (resid 56 and name HA) 3.474 1.509 1.509 weight 1.000 ! spec=HCH, no=738, id=3798, vol=7.300000e+06
    or (resid 40 and name HD11) (resid 56 and name HA)
    or (resid 40 and name HD13) (resid 56 and name HA)
assign (resid 40 and name HD12) (resid 152 and name HD12) 3.151 1.241 1.241 weight 1.000 ! spec=HCH, no=742, id=3802, vol=1.310000e+07
    or (resid 40 and name HD12) (resid 152 and name HD11)
    or (resid 40 and name HD12) (resid 152 and name HD13)
    or (resid 40 and name HD11) (resid 152 and name HD12)
    or (resid 40 and name HD11) (resid 152 and name HD11)
    or (resid 40 and name HD11) (resid 152 and name HD13)
    or (resid 40 and name HD13) (resid 152 and name HD12)
    or (resid 40 and name HD13) (resid 152 and name HD11)
    or (resid 40 and name HD13) (resid 152 and name HD13)
assign (resid 40 and name HD22) (resid 150 and name HA2) 3.513 1.542 1.542 weight 1.000 ! spec=HCH, no=744, id=3804, vol=6.820000e+06
    or (resid 40 and name HD21) (resid 150 and name HA2)
    or (resid 40 and name HD23) (resid 150 and name HA2)
assign (resid 40 and name HD22) (resid 56 and name HB1) 3.509 1.539 1.539 weight 1.000 ! spec=HCH, no=747, id=3807, vol=6.870000e+06
    or (resid 40 and name HD21) (resid 56 and name HB1)
    or (resid 40 and name HD23) (resid 56 and name HB1)
assign (resid 38 and name HD12) (resid 40 and name HD22) 3.329 1.386 1.386 weight 1.000 ! spec=HCH, no=753, id=3813, vol=9.420000e+06
    or (resid 38 and name HD12) (resid 40 and name HD21)
    or (resid 38 and name HD12) (resid 40 and name HD23)
    or (resid 38 and name HD11) (resid 40 and name HD22)
    or (resid 38 and name HD11) (resid 40 and name HD21)
    or (resid 38 and name HD11) (resid 40 and name HD23)
    or (resid 38 and name HD13) (resid 40 and name HD22)
    or (resid 38 and name HD13) (resid 40 and name HD21)
    or (resid 38 and name HD13) (resid 40 and name HD23)
assign (resid 40 and name HD22) (resid 39 and name HD1) 4.016 2.016 2.016 weight 1.000 ! spec=HCH, no=755, id=3815, vol=3.050000e+06
    or (resid 40 and name HD21) (resid 39 and name HD1)
    or (resid 40 and name HD23) (resid 39 and name HD1)
assign (resid 40 and name HA) (resid 40 and name HD22) 2.994 1.120 1.120 weight 1.000 ! spec=HCH, no=757, id=3817, vol=1.780000e+07
    or (resid 40 and name HA) (resid 40 and name HD21)
    or (resid 40 and name HA) (resid 40 and name HD23)
assign (resid 40 and name HB1) (resid 40 and name HD22) 2.550 0.813 0.813 weight 1.000 ! spec=HCH, no=759, id=3819, vol=4.660000e+07
    or (resid 40 and name HB1) (resid 40 and name HD21)
    or (resid 40 and name HB1) (resid 40 and name HD23)
assign (resid 40 and name HD22) (resid 40 and name HD21) 1.422 0.253 0.253 weight 1.000 ! spec=HCH, no=761, id=3821, vol=1.550000e+09
    or (resid 40 and name HD22) (resid 40 and name HD23)
    or (resid 40 and name HD22) (resid 40 and name HD21)
    or (resid 40 and name HD21) (resid 40 and name HD23)
    or (resid 40 and name HD22) (resid 40 and name HD23)
    or (resid 40 and name HD21) (resid 40 and name HD23)
assign (resid 40 and name HD22) (resid 55 and name HB2) 2.615 0.855 0.855 weight 1.000 ! spec=HCH, no=762, id=3822, vol=4.010000e+07
    or (resid 40 and name HD21) (resid 55 and name HB2)
    or (resid 40 and name HD23) (resid 55 and name HB2)
assign (resid 40 and name HD22) (resid 55 and name HG1) 3.115 1.213 1.213 weight 1.000 ! spec=HCH, no=763, id=3823, vol=1.400000e+07
    or (resid 40 and name HD21) (resid 55 and name HG1)
    or (resid 40 and name HD23) (resid 55 and name HG1)
assign (resid 40 and name HD22) (resid 56 and name HA) 3.198 1.278 1.278 weight 1.000 ! spec=HCH, no=764, id=3824, vol=1.200000e+07
    or (resid 40 and name HD21) (resid 56 and name HA)
    or (resid 40 and name HD23) (resid 56 and name HA)
assign (resid 40 and name HD22) (resid 151 and name HA) 3.762 1.769 1.769 weight 1.000 ! spec=HCH, no=766, id=3826, vol=4.530000e+06
    or (resid 40 and name HD21) (resid 151 and name HA)
    or (resid 40 and name HD23) (resid 151 and name HA)
assign (resid 40 and name HN) (resid 40 and name HG) 3.200 1.280 1.280 weight 1.000 ! spec=HCH, no=769, id=3829, vol=1.200000e+07
assign (resid 40 and name HG) (resid 40 and name HA) 3.325 1.382 1.382 weight 1.000 ! spec=HCH, no=770, id=3830, vol=9.490000e+06
assign (resid 40 and name HG) (resid 40 and name HB1) 2.764 0.955 0.955 weight 1.000 ! spec=HCH, no=771, id=3831, vol=2.880000e+07
assign (resid 40 and name HG) (resid 40 and name HD22) 2.674 0.894 0.894 weight 1.000 ! spec=HCH, no=774, id=3833, vol=3.510000e+07
    or (resid 40 and name HG) (resid 40 and name HD21)
    or (resid 40 and name HG) (resid 40 and name HD23)
assign (resid 41 and name HA) (resid 39 and name HZ) 3.592 1.613 1.613 weight 1.000 ! spec=HCH, no=775, id=3834, vol=5.970000e+06
assign (resid 41 and name HA) (resid 41 and name HN) 2.955 1.092 1.092 weight 1.000 ! spec=HCH, no=776, id=3835, vol=1.930000e+07
assign (resid 41 and name HA) (resid 41 and name HB1) 2.350 0.691 0.691 weight 1.000 ! spec=HCH, no=777, id=3836, vol=7.600000e+07
assign (resid 41 and name HA) (resid 150 and name HA2) 2.949 1.087 1.087 weight 1.000 ! spec=HCH, no=780, id=3839, vol=1.950000e+07
assign (resid 41 and name HB1) (resid 41 and name HB2) 1.939 0.470 0.470 weight 1.000 ! spec=HCH, no=785, id=3844, vol=2.410000e+08
assign (resid 41 and name HB2) (resid 41 and name HG1) 1.939 0.470 0.470 weight 1.000 ! spec=HCH, no=787, id=3845, vol=2.410000e+08
assign (resid 41 and name HB2) (resid 42 and name HN) 3.587 1.609 1.609 weight 1.000 ! spec=HCH, no=788, id=3846, vol=6.020000e+06
assign (resid 41 and name HB1) (resid 42 and name HN) 3.511 1.541 1.541 weight 1.000 ! spec=HCH, no=789, id=3847, vol=6.840000e+06
assign (resid 41 and name HA) (resid 150 and name HA1) 2.886 1.041 1.041 weight 1.000 ! spec=HCH, no=791, id=3849, vol=2.220000e+07
assign (resid 41 and name HG2) (resid 39 and name HD1) 3.657 1.672 1.672 weight 1.000 ! spec=HCH, no=794, id=3852, vol=5.360000e+06
    or (resid 41 and name HG2) (resid 39 and name HD2)
assign (resid 41 and name HG1) (resid 39 and name HD1) 3.437 1.477 1.477 weight 1.000 ! spec=HCH, no=797, id=3855, vol=7.770000e+06
    or (resid 41 and name HG1) (resid 39 and name HD2)
assign (resid 41 and name HG1) (resid 40 and name HN) 3.992 1.992 1.992 weight 1.000 ! spec=HCH, no=798, id=3856, vol=3.170000e+06
assign (resid 41 and name HG2) (resid 41 and name HA) 2.843 1.010 1.010 weight 1.000 ! spec=HCH, no=801, id=3859, vol=2.430000e+07
assign (resid 41 and name HG1) (resid 41 and name HA) 2.787 0.971 0.971 weight 1.000 ! spec=HCH, no=802, id=3860, vol=2.740000e+07
assign (resid 41 and name HG2) (resid 41 and name HB2) 2.332 0.680 0.680 weight 1.000 ! spec=HCH, no=803, id=3861, vol=7.970000e+07
assign (resid 41 and name HG1) (resid 41 and name HE21) 3.171 1.257 1.257 weight 1.000 ! spec=HCH, no=806, id=3864, vol=1.260000e+07
assign (resid 41 and name HG1) (resid 41 and name HE22) 3.284 1.348 1.348 weight 1.000 ! spec=HCH, no=808, id=3866, vol=1.020000e+07
assign (resid 41 and name HG1) (resid 42 and name HN) 3.668 1.682 1.682 weight 1.000 ! spec=HCH, no=810, id=3867, vol=5.260000e+06
assign (resid 41 and name HG2) (resid 150 and name HA2) 3.517 1.546 1.546 weight 1.000 ! spec=HCH, no=813, id=3870, vol=6.780000e+06
assign (resid 41 and name HG1) (resid 150 and name HA2) 3.342 1.396 1.396 weight 1.000 ! spec=HCH, no=814, id=3871, vol=9.200000e+06
assign (resid 41 and name HG2) (resid 150 and name HA1) 3.520 1.549 1.549 weight 1.000 ! spec=HCH, no=815, id=3872, vol=6.740000e+06
assign (resid 41 and name HG1) (resid 150 and name HA1) 3.340 1.394 1.394 weight 1.000 ! spec=HCH, no=816, id=3873, vol=9.240000e+06
assign (resid 41 and name HG2) (resid 151 and name HN) 3.873 1.875 1.875 weight 1.000 ! spec=HCH, no=817, id=3874, vol=3.800000e+06
assign (resid 42 and name HA) (resid 42 and name HB2) 2.390 0.714 0.714 weight 1.000 ! spec=HCH, no=820, id=3877, vol=6.890000e+07
assign (resid 42 and name HA) (resid 42 and name HN) 2.617 0.856 0.856 weight 1.000 ! spec=HCH, no=821, id=3878, vol=3.990000e+07
assign (resid 42 and name HA) (resid 42 and name HB1) 2.539 0.806 0.806 weight 1.000 ! spec=HCH, no=822, id=3879, vol=4.790000e+07
assign (resid 42 and name HB2) (resid 42 and name HG2) 2.133 0.569 0.569 weight 1.000 ! spec=HCH, no=837, id=3893, vol=1.360000e+08
assign (resid 42 and name HB1) (resid 44 and name HN) 3.940 1.941 1.941 weight 1.000 ! spec=HCH, no=841, id=3897, vol=3.430000e+06
assign (resid 42 and name HB1) (resid 44 and name HG12) 3.614 1.633 1.633 weight 1.000 ! spec=HCH, no=842, id=3898, vol=5.750000e+06
assign (resid 42 and name HG2) (resid 42 and name HA) 2.480 0.769 0.769 weight 1.000 ! spec=HCH, no=848, id=3904, vol=5.520000e+07
assign (resid 42 and name HG2) (resid 40 and name HN) 4.141 2.144 2.144 weight 1.000 ! spec=HCH, no=858, id=3914, vol=2.540000e+06
assign (resid 42 and name HG2) (resid 40 and name HA) 3.054 1.166 1.166 weight 1.000 ! spec=HCH, no=859, id=3915, vol=1.580000e+07
assign (resid 42 and name HG2) (resid 40 and name HB2) 3.121 1.218 1.218 weight 1.000 ! spec=HCH, no=860, id=3916, vol=1.390000e+07
assign (resid 42 and name HG2) (resid 40 and name HB1) 3.755 1.762 1.762 weight 1.000 ! spec=HCH, no=861, id=3917, vol=4.580000e+06
assign (resid 42 and name HG2) (resid 40 and name HG) 3.121 1.218 1.218 weight 1.000 ! spec=HCH, no=862, id=3918, vol=1.390000e+07
assign (resid 40 and name HD12) (resid 42 and name HG2) 3.392 1.438 1.438 weight 1.000 ! spec=HCH, no=863, id=3919, vol=8.420000e+06
    or (resid 40 and name HD11) (resid 42 and name HG2)
    or (resid 40 and name HD13) (resid 42 and name HG2)
assign (resid 42 and name HG2) (resid 40 and name HD22) 3.430 1.470 1.470 weight 1.000 ! spec=HCH, no=864, id=3920, vol=7.880000e+06
    or (resid 42 and name HG2) (resid 40 and name HD21)
    or (resid 42 and name HG2) (resid 40 and name HD23)
assign (resid 42 and name HG2) (resid 42 and name HN) 2.791 0.973 0.973 weight 1.000 ! spec=HCH, no=865, id=3921, vol=2.720000e+07
assign (resid 44 and name HN) (resid 43 and name HA) 2.251 0.634 0.634 weight 1.000 ! spec=HCH, no=876, id=3930, vol=9.850000e+07
assign (resid 43 and name HA) (resid 44 and name HG22) 3.141 1.233 1.233 weight 1.000 ! spec=HCH, no=877, id=3931, vol=1.340000e+07
    or (resid 43 and name HA) (resid 44 and name HG21)
    or (resid 43 and name HA) (resid 44 and name HG23)
assign (resid 43 and name HN) (resid 43 and name HB2) 2.209 0.610 0.610 weight 1.000 ! spec=HCH, no=885, id=3939, vol=1.100000e+08
    or (resid 43 and name HN) (resid 43 and name HB1)
    or (resid 43 and name HN) (resid 43 and name HB3)
assign (resid 43 and name HB2) (resid 43 and name HA) 2.125 0.564 0.564 weight 1.000 ! spec=HCH, no=886, id=3940, vol=1.390000e+08
    or (resid 43 and name HB1) (resid 43 and name HA)
    or (resid 43 and name HB3) (resid 43 and name HA)
assign (resid 43 and name HB2) (resid 43 and name HB1) 1.126 0.158 0.158 weight 1.000 ! spec=HCH, no=887, id=3941, vol=6.310000e+09
    or (resid 43 and name HB2) (resid 43 and name HB3)
    or (resid 43 and name HB2) (resid 43 and name HB1)
    or (resid 43 and name HB1) (resid 43 and name HB3)
    or (resid 43 and name HB2) (resid 43 and name HB3)
    or (resid 43 and name HB1) (resid 43 and name HB3)
assign (resid 44 and name HA) (resid 44 and name HB) 2.342 0.685 0.685 weight 1.000 ! spec=HCH, no=893, id=3946, vol=7.780000e+07
assign (resid 44 and name HA) (resid 44 and name HG12) 2.845 1.012 1.012 weight 1.000 ! spec=HCH, no=894, id=3947, vol=2.420000e+07
assign (resid 44 and name HA) (resid 44 and name HG11) 2.861 1.023 1.023 weight 1.000 ! spec=HCH, no=895, id=3948, vol=2.340000e+07
assign (resid 44 and name HN) (resid 44 and name HB) 2.975 1.106 1.106 weight 1.000 ! spec=HCH, no=900, id=3953, vol=1.850000e+07
assign (resid 44 and name HB) (resid 44 and name HG11) 2.669 0.890 0.890 weight 1.000 ! spec=HCH, no=903, id=3955, vol=3.550000e+07
assign (resid 44 and name HD12) (resid 52 and name HA) 2.757 0.950 0.950 weight 1.000 ! spec=HCH, no=909, id=3961, vol=2.920000e+07
    or (resid 44 and name HD11) (resid 52 and name HA)
    or (resid 44 and name HD13) (resid 52 and name HA)
assign (resid 44 and name HD12) (resid 55 and name HG2) 2.562 0.820 0.820 weight 1.000 ! spec=HCH, no=912, id=3964, vol=4.540000e+07
    or (resid 44 and name HD11) (resid 55 and name HG2)
    or (resid 44 and name HD13) (resid 55 and name HG2)
assign (resid 45 and name HN) (resid 44 and name HD12) 2.926 1.070 1.070 weight 1.000 ! spec=HCH, no=913, id=3965, vol=2.040000e+07
    or (resid 45 and name HN) (resid 44 and name HD11)
    or (resid 45 and name HN) (resid 44 and name HD13)
assign (resid 44 and name HD12) (resid 55 and name HG1) 2.660 0.884 0.884 weight 1.000 ! spec=HCH, no=914, id=3966, vol=3.620000e+07
    or (resid 44 and name HD11) (resid 55 and name HG1)
    or (resid 44 and name HD13) (resid 55 and name HG1)
assign (resid 44 and name HD12) (resid 44 and name HB) 2.211 0.611 0.611 weight 1.000 ! spec=HCH, no=918, id=3969, vol=1.100000e+08
    or (resid 44 and name HD11) (resid 44 and name HB)
    or (resid 44 and name HD13) (resid 44 and name HB)
assign (resid 44 and name HD12) (resid 44 and name HG12) 1.789 0.400 0.400 weight 1.000 ! spec=HCH, no=919, id=3970, vol=3.910000e+08
    or (resid 44 and name HD11) (resid 44 and name HG12)
    or (resid 44 and name HD13) (resid 44 and name HG12)
assign (resid 44 and name HD12) (resid 44 and name HG11) 1.939 0.470 0.470 weight 1.000 ! spec=HCH, no=920, id=3971, vol=2.410000e+08
    or (resid 44 and name HD11) (resid 44 and name HG11)
    or (resid 44 and name HD13) (resid 44 and name HG11)
assign (resid 44 and name HG11) (resid 46 and name HB) 3.537 1.563 1.563 weight 1.000 ! spec=HCH, no=923, id=3974, vol=6.550000e+06
assign (resid 44 and name HG11) (resid 44 and name HG12) 2.078 0.540 0.540 weight 1.000 ! spec=HCH, no=925, id=3976, vol=1.590000e+08
assign (resid 44 and name HG11) (resid 46 and name HG22) 2.197 0.603 0.603 weight 1.000 ! spec=HCH, no=928, id=3979, vol=1.140000e+08
    or (resid 44 and name HG11) (resid 46 and name HG21)
    or (resid 44 and name HG11) (resid 46 and name HG23)
assign (resid 44 and name HG11) (resid 148 and name HB) 3.510 1.540 1.540 weight 1.000 ! spec=HCH, no=929, id=3980, vol=6.850000e+06
assign (resid 44 and name HG22) (resid 55 and name HG1) 2.963 1.097 1.097 weight 1.000 ! spec=HCH, no=933, id=3984, vol=1.900000e+07
    or (resid 44 and name HG21) (resid 55 and name HG1)
    or (resid 44 and name HG23) (resid 55 and name HG1)
assign (resid 44 and name HG22) (resid 42 and name HB1) 2.599 0.844 0.844 weight 1.000 ! spec=HCH, no=939, id=3989, vol=4.170000e+07
    or (resid 44 and name HG21) (resid 42 and name HB1)
    or (resid 44 and name HG23) (resid 42 and name HB1)
assign (resid 44 and name HN) (resid 44 and name HG22) 2.565 0.823 0.823 weight 1.000 ! spec=HCH, no=941, id=3991, vol=4.500000e+07
    or (resid 44 and name HN) (resid 44 and name HG21)
    or (resid 44 and name HN) (resid 44 and name HG23)
assign (resid 44 and name HA) (resid 44 and name HG22) 2.141 0.573 0.573 weight 1.000 ! spec=HCH, no=942, id=3992, vol=1.330000e+08
    or (resid 44 and name HA) (resid 44 and name HG21)
    or (resid 44 and name HA) (resid 44 and name HG23)
assign (resid 44 and name HB) (resid 44 and name HG22) 1.943 0.472 0.472 weight 1.000 ! spec=HCH, no=943, id=3993, vol=2.390000e+08
    or (resid 44 and name HB) (resid 44 and name HG21)
    or (resid 44 and name HB) (resid 44 and name HG23)
assign (resid 44 and name HG22) (resid 44 and name HG21) 1.065 0.142 0.142 weight 1.000 ! spec=HCH, no=945, id=3995, vol=8.800000e+09
    or (resid 44 and name HG22) (resid 44 and name HG23)
    or (resid 44 and name HG22) (resid 44 and name HG21)
    or (resid 44 and name HG21) (resid 44 and name HG23)
    or (resid 44 and name HG22) (resid 44 and name HG23)
    or (resid 44 and name HG21) (resid 44 and name HG23)
assign (resid 55 and name HE22) (resid 44 and name HG22) 3.002 1.127 1.127 weight 1.000 ! spec=HCH, no=949, id=3999, vol=1.750000e+07
    or (resid 55 and name HE22) (resid 44 and name HG21)
    or (resid 55 and name HE22) (resid 44 and name HG23)
assign (resid 45 and name HA) (resid 45 and name HB2) 2.455 0.753 0.753 weight 1.000 ! spec=HCH, no=953, id=4003, vol=5.860000e+07
assign (resid 45 and name HA) (resid 45 and name HB1) 2.368 0.701 0.701 weight 1.000 ! spec=HCH, no=954, id=4004, vol=7.270000e+07
assign (resid 45 and name HA) (resid 46 and name HN) 2.102 0.552 0.552 weight 1.000 ! spec=HCH, no=955, id=4005, vol=1.490000e+08
assign (resid 45 and name HB1) (resid 45 and name HG2) 2.557 0.817 0.817 weight 1.000 ! spec=HCH, no=959, id=4009, vol=4.590000e+07
assign (resid 45 and name HB1) (resid 45 and name HG1) 2.452 0.751 0.751 weight 1.000 ! spec=HCH, no=960, id=4010, vol=5.910000e+07
assign (resid 45 and name HB2) (resid 46 and name HN) 3.139 1.232 1.232 weight 1.000 ! spec=HCH, no=961, id=4011, vol=1.340000e+07
assign (resid 46 and name HN) (resid 45 and name HB1) 3.147 1.238 1.238 weight 1.000 ! spec=HCH, no=962, id=4012, vol=1.320000e+07
assign (resid 45 and name HD2) (resid 45 and name HN) 3.167 1.254 1.254 weight 1.000 ! spec=HCH, no=969, id=4019, vol=1.270000e+07
assign (resid 45 and name HD2) (resid 45 and name HE2) 2.232 0.623 0.623 weight 1.000 ! spec=HCH, no=972, id=4021, vol=1.040000e+08
assign (resid 45 and name HN) (resid 45 and name HG2) 3.385 1.432 1.432 weight 1.000 ! spec=HCH, no=982, id=4030, vol=8.520000e+06
assign (resid 45 and name HN) (resid 45 and name HG1) 3.338 1.393 1.393 weight 1.000 ! spec=HCH, no=983, id=4031, vol=9.270000e+06
assign (resid 45 and name HD2) (resid 45 and name HG1) 2.023 0.511 0.511 weight 1.000 ! spec=HCH, no=984, id=4032, vol=1.870000e+08
assign (resid 45 and name HG2) (resid 45 and name HE2) 3.178 1.262 1.262 weight 1.000 ! spec=HCH, no=985, id=4033, vol=1.250000e+07
assign (resid 45 and name HG1) (resid 45 and name HE2) 3.420 1.462 1.462 weight 1.000 ! spec=HCH, no=986, id=4034, vol=8.020000e+06
assign (resid 45 and name HG1) (resid 46 and name HA) 3.011 1.133 1.133 weight 1.000 ! spec=HCH, no=990, id=4038, vol=1.720000e+07
assign (resid 45 and name HG1) (resid 46 and name HG22) 3.627 1.644 1.644 weight 1.000 ! spec=HCH, no=992, id=4040, vol=5.630000e+06
    or (resid 45 and name HG1) (resid 46 and name HG21)
    or (resid 45 and name HG1) (resid 46 and name HG23)
assign (resid 46 and name HA) (resid 46 and name HB) 2.526 0.798 0.798 weight 1.000 ! spec=HCH, no=993, id=4041, vol=4.940000e+07
assign (resid 47 and name HN) (resid 46 and name HA) 2.202 0.606 0.606 weight 1.000 ! spec=HCH, no=995, id=4043, vol=1.120000e+08
assign (resid 46 and name HA) (resid 47 and name HG2) 2.916 1.063 1.063 weight 1.000 ! spec=HCH, no=996, id=4044, vol=2.090000e+07
assign (resid 46 and name HB) (resid 148 and name HB) 2.859 1.022 1.022 weight 1.000 ! spec=HCH, no=1000, id=4048, vol=2.350000e+07
assign (resid 46 and name HB) (resid 47 and name HN) 3.011 1.134 1.134 weight 1.000 ! spec=HCH, no=1006, id=4054, vol=1.720000e+07
assign (resid 46 and name HB) (resid 47 and name HA) 3.591 1.612 1.612 weight 1.000 ! spec=HCH, no=1007, id=4055, vol=5.980000e+06
assign (resid 46 and name HG12) (resid 48 and name HB1) 3.324 1.381 1.381 weight 1.000 ! spec=HCH, no=1013, id=4061, vol=9.510000e+06
    or (resid 46 and name HG11) (resid 48 and name HB1)
    or (resid 46 and name HG13) (resid 48 and name HB1)
assign (resid 46 and name HG12) (resid 52 and name HA) 2.816 0.991 0.991 weight 1.000 ! spec=HCH, no=1016, id=4064, vol=2.570000e+07
    or (resid 46 and name HG11) (resid 52 and name HA)
    or (resid 46 and name HG13) (resid 52 and name HA)
assign (resid 48 and name HN) (resid 46 and name HG12) 2.420 0.732 0.732 weight 1.000 ! spec=HCH, no=1018, id=4066, vol=6.380000e+07
    or (resid 48 and name HN) (resid 46 and name HG11)
    or (resid 48 and name HN) (resid 46 and name HG13)
assign (resid 46 and name HG12) (resid 146 and name HN) 3.771 1.778 1.778 weight 1.000 ! spec=HCH, no=1020, id=4068, vol=4.460000e+06
    or (resid 46 and name HG11) (resid 146 and name HN)
    or (resid 46 and name HG13) (resid 146 and name HN)
assign (resid 46 and name HG12) (resid 47 and name HA) 3.058 1.169 1.169 weight 1.000 ! spec=HCH, no=1021, id=4069, vol=1.570000e+07
    or (resid 46 and name HG11) (resid 47 and name HA)
    or (resid 46 and name HG13) (resid 47 and name HA)
assign (resid 46 and name HA) (resid 46 and name HG12) 2.140 0.572 0.572 weight 1.000 ! spec=HCH, no=1027, id=4075, vol=1.340000e+08
    or (resid 46 and name HA) (resid 46 and name HG11)
    or (resid 46 and name HA) (resid 46 and name HG13)
assign (resid 46 and name HB) (resid 46 and name HG12) 2.049 0.525 0.525 weight 1.000 ! spec=HCH, no=1028, id=4076, vol=1.730000e+08
    or (resid 46 and name HB) (resid 46 and name HG11)
    or (resid 46 and name HB) (resid 46 and name HG13)
assign (resid 46 and name HG12) (resid 46 and name HG11) 1.219 0.186 0.186 weight 1.000 ! spec=HCH, no=1029, id=4077, vol=3.910000e+09
    or (resid 46 and name HG12) (resid 46 and name HG13)
    or (resid 46 and name HG12) (resid 46 and name HG11)
    or (resid 46 and name HG11) (resid 46 and name HG13)
    or (resid 46 and name HG12) (resid 46 and name HG13)
    or (resid 46 and name HG11) (resid 46 and name HG13)
assign (resid 47 and name HN) (resid 46 and name HG12) 2.622 0.860 0.860 weight 1.000 ! spec=HCH, no=1030, id=4078, vol=3.940000e+07
    or (resid 47 and name HN) (resid 46 and name HG11)
    or (resid 47 and name HN) (resid 46 and name HG13)
assign (resid 46 and name HG12) (resid 51 and name HN) 3.196 1.277 1.277 weight 1.000 ! spec=HCH, no=1033, id=4081, vol=1.200000e+07
    or (resid 46 and name HG11) (resid 51 and name HN)
    or (resid 46 and name HG13) (resid 51 and name HN)
assign (resid 46 and name HG12) (resid 51 and name HB2) 2.473 0.765 0.765 weight 1.000 ! spec=HCH, no=1034, id=4082, vol=5.600000e+07
    or (resid 46 and name HG11) (resid 51 and name HB2)
    or (resid 46 and name HG13) (resid 51 and name HB2)
assign (resid 46 and name HG12) (resid 51 and name HB1) 2.508 0.786 0.786 weight 1.000 ! spec=HCH, no=1035, id=4083, vol=5.160000e+07
    or (resid 46 and name HG11) (resid 51 and name HB1)
    or (resid 46 and name HG13) (resid 51 and name HB1)
assign (resid 46 and name HG12) (resid 148 and name HG22) 2.148 0.577 0.577 weight 1.000 ! spec=HCH, no=1039, id=4087, vol=1.310000e+08
    or (resid 46 and name HG12) (resid 148 and name HG21)
    or (resid 46 and name HG12) (resid 148 and name HG23)
    or (resid 46 and name HG11) (resid 148 and name HG22)
    or (resid 46 and name HG11) (resid 148 and name HG21)
    or (resid 46 and name HG11) (resid 148 and name HG23)
    or (resid 46 and name HG13) (resid 148 and name HG22)
    or (resid 46 and name HG13) (resid 148 and name HG21)
    or (resid 46 and name HG13) (resid 148 and name HG23)
assign (resid 51 and name HN) (resid 46 and name HG22) 3.539 1.566 1.566 weight 1.000 ! spec=HCH, no=1051, id=4099, vol=6.530000e+06
    or (resid 51 and name HN) (resid 46 and name HG21)
    or (resid 51 and name HN) (resid 46 and name HG23)
assign (resid 46 and name HG22) (resid 44 and name HN) 3.565 1.588 1.588 weight 1.000 ! spec=HCH, no=1052, id=4100, vol=6.250000e+06
    or (resid 46 and name HG21) (resid 44 and name HN)
    or (resid 46 and name HG23) (resid 44 and name HN)
assign (resid 46 and name HG22) (resid 46 and name HN) 2.229 0.621 0.621 weight 1.000 ! spec=HCH, no=1053, id=4101, vol=1.050000e+08
    or (resid 46 and name HG21) (resid 46 and name HN)
    or (resid 46 and name HG23) (resid 46 and name HN)
assign (resid 46 and name HG22) (resid 46 and name HA) 2.245 0.630 0.630 weight 1.000 ! spec=HCH, no=1054, id=4102, vol=1.000000e+08
    or (resid 46 and name HG21) (resid 46 and name HA)
    or (resid 46 and name HG23) (resid 46 and name HA)
assign (resid 46 and name HG22) (resid 46 and name HB) 2.113 0.558 0.558 weight 1.000 ! spec=HCH, no=1055, id=4103, vol=1.440000e+08
    or (resid 46 and name HG21) (resid 46 and name HB)
    or (resid 46 and name HG23) (resid 46 and name HB)
assign (resid 46 and name HG22) (resid 46 and name HG21) 1.220 0.186 0.186 weight 1.000 ! spec=HCH, no=1056, id=4104, vol=3.880000e+09
    or (resid 46 and name HG22) (resid 46 and name HG23)
    or (resid 46 and name HG22) (resid 46 and name HG21)
    or (resid 46 and name HG21) (resid 46 and name HG23)
    or (resid 46 and name HG22) (resid 46 and name HG23)
    or (resid 46 and name HG21) (resid 46 and name HG23)
assign (resid 46 and name HG22) (resid 47 and name HN) 2.886 1.041 1.041 weight 1.000 ! spec=HCH, no=1057, id=4105, vol=2.220000e+07
    or (resid 46 and name HG21) (resid 47 and name HN)
    or (resid 46 and name HG23) (resid 47 and name HN)
assign (resid 46 and name HG22) (resid 51 and name HB2) 2.896 1.048 1.048 weight 1.000 ! spec=HCH, no=1058, id=4106, vol=2.170000e+07
    or (resid 46 and name HG21) (resid 51 and name HB2)
    or (resid 46 and name HG23) (resid 51 and name HB2)
assign (resid 46 and name HG22) (resid 51 and name HB1) 2.850 1.015 1.015 weight 1.000 ! spec=HCH, no=1059, id=4107, vol=2.400000e+07
    or (resid 46 and name HG21) (resid 51 and name HB1)
    or (resid 46 and name HG23) (resid 51 and name HB1)
assign (resid 46 and name HG22) (resid 55 and name HE21) 3.656 1.670 1.670 weight 1.000 ! spec=HCH, no=1064, id=4112, vol=5.370000e+06
    or (resid 46 and name HG21) (resid 55 and name HE21)
    or (resid 46 and name HG23) (resid 55 and name HE21)
assign (resid 46 and name HG22) (resid 55 and name HE22) 3.737 1.746 1.746 weight 1.000 ! spec=HCH, no=1065, id=4113, vol=4.710000e+06
    or (resid 46 and name HG21) (resid 55 and name HE22)
    or (resid 46 and name HG23) (resid 55 and name HE22)
assign (resid 46 and name HG22) (resid 146 and name HB1) 3.055 1.166 1.166 weight 1.000 ! spec=HCH, no=1068, id=4116, vol=1.580000e+07
    or (resid 46 and name HG21) (resid 146 and name HB1)
    or (resid 46 and name HG23) (resid 146 and name HB1)
assign (resid 47 and name HA) (resid 47 and name HB1) 2.826 0.998 0.998 weight 1.000 ! spec=HCH, no=1076, id=4123, vol=2.520000e+07
assign (resid 47 and name HA) (resid 47 and name HG2) 2.326 0.676 0.676 weight 1.000 ! spec=HCH, no=1077, id=4124, vol=8.100000e+07
assign (resid 47 and name HN) (resid 47 and name HB2) 3.051 1.163 1.163 weight 1.000 ! spec=HCH, no=1080, id=4127, vol=1.590000e+07
assign (resid 47 and name HB2) (resid 47 and name HA) 2.768 0.958 0.958 weight 1.000 ! spec=HCH, no=1082, id=4129, vol=2.850000e+07
assign (resid 47 and name HB1) (resid 47 and name HB2) 1.888 0.446 0.446 weight 1.000 ! spec=HCH, no=1084, id=4131, vol=2.830000e+08
assign (resid 48 and name HN) (resid 47 and name HB2) 3.323 1.380 1.380 weight 1.000 ! spec=HCH, no=1086, id=4133, vol=9.520000e+06
assign (resid 47 and name HG2) (resid 48 and name HN) 3.152 1.242 1.242 weight 1.000 ! spec=HCH, no=1090, id=4137, vol=1.310000e+07
assign (resid 46 and name HG12) (resid 47 and name HG2) 3.361 1.412 1.412 weight 1.000 ! spec=HCH, no=1092, id=4139, vol=8.900000e+06
    or (resid 46 and name HG11) (resid 47 and name HG2)
    or (resid 46 and name HG13) (resid 47 and name HG2)
assign (resid 47 and name HG2) (resid 47 and name HN) 2.828 0.999 0.999 weight 1.000 ! spec=HCH, no=1093, id=4140, vol=2.510000e+07
assign (resid 47 and name HG2) (resid 47 and name HB1) 1.896 0.450 0.450 weight 1.000 ! spec=HCH, no=1095, id=4142, vol=2.760000e+08
assign (resid 48 and name HA) (resid 46 and name HG12) 2.739 0.938 0.938 weight 1.000 ! spec=HCH, no=1099, id=4146, vol=3.040000e+07
    or (resid 48 and name HA) (resid 46 and name HG11)
    or (resid 48 and name HA) (resid 46 and name HG13)
assign (resid 48 and name HN) (resid 48 and name HA) 2.624 0.861 0.861 weight 1.000 ! spec=HCH, no=1100, id=4147, vol=3.930000e+07
assign (resid 48 and name HA) (resid 48 and name HB2) 2.399 0.719 0.719 weight 1.000 ! spec=HCH, no=1102, id=4148, vol=6.730000e+07
assign (resid 48 and name HA) (resid 48 and name HB1) 2.285 0.653 0.653 weight 1.000 ! spec=HCH, no=1103, id=4149, vol=9.010000e+07
assign (resid 48 and name HA) (resid 49 and name HG22) 2.987 1.116 1.116 weight 1.000 ! spec=HCH, no=1106, id=4152, vol=1.800000e+07
    or (resid 48 and name HA) (resid 49 and name HG21)
    or (resid 48 and name HA) (resid 49 and name HG23)
assign (resid 48 and name HB2) (resid 50 and name HG2) 2.993 1.120 1.120 weight 1.000 ! spec=HCH, no=1108, id=4154, vol=1.780000e+07
assign (resid 48 and name HB2) (resid 46 and name HG12) 3.466 1.501 1.501 weight 1.000 ! spec=HCH, no=1113, id=4159, vol=7.400000e+06
    or (resid 48 and name HB2) (resid 46 and name HG11)
    or (resid 48 and name HB2) (resid 46 and name HG13)
assign (resid 48 and name HB1) (resid 48 and name HB2) 2.077 0.539 0.539 weight 1.000 ! spec=HCH, no=1121, id=4166, vol=1.600000e+08
assign (resid 48 and name HB1) (resid 49 and name HN) 2.622 0.859 0.859 weight 1.000 ! spec=HCH, no=1124, id=4168, vol=3.950000e+07
assign (resid 48 and name HB1) (resid 49 and name HB) 3.396 1.442 1.442 weight 1.000 ! spec=HCH, no=1125, id=4169, vol=8.360000e+06
assign (resid 48 and name HB2) (resid 50 and name HB2) 3.372 1.421 1.421 weight 1.000 ! spec=HCH, no=1130, id=4174, vol=8.720000e+06
assign (resid 48 and name HB1) (resid 50 and name HB2) 3.226 1.301 1.301 weight 1.000 ! spec=HCH, no=1131, id=4175, vol=1.140000e+07
assign (resid 48 and name HB2) (resid 51 and name HN) 3.674 1.688 1.688 weight 1.000 ! spec=HCH, no=1132, id=4176, vol=5.210000e+06
assign (resid 48 and name HB2) (resid 52 and name HN) 3.992 1.992 1.992 weight 1.000 ! spec=HCH, no=1134, id=4178, vol=3.170000e+06
assign (resid 52 and name HN) (resid 48 and name HB1) 4.083 2.084 2.084 weight 1.000 ! spec=HCH, no=1135, id=4179, vol=2.770000e+06
assign (resid 46 and name HG12) (resid 49 and name HA) 2.752 0.946 0.946 weight 1.000 ! spec=HCH, no=1138, id=4182, vol=2.950000e+07
    or (resid 46 and name HG11) (resid 49 and name HA)
    or (resid 46 and name HG13) (resid 49 and name HA)
assign (resid 49 and name HA) (resid 48 and name HA) 3.168 1.255 1.255 weight 1.000 ! spec=HCH, no=1139, id=4183, vol=1.270000e+07
assign (resid 49 and name HA) (resid 49 and name HB) 2.338 0.684 0.684 weight 1.000 ! spec=HCH, no=1141, id=4185, vol=7.840000e+07
assign (resid 49 and name HA) (resid 49 and name HG12) 2.515 0.791 0.791 weight 1.000 ! spec=HCH, no=1142, id=4186, vol=5.060000e+07
assign (resid 49 and name HA) (resid 49 and name HG22) 2.378 0.707 0.707 weight 1.000 ! spec=HCH, no=1143, id=4187, vol=7.090000e+07
    or (resid 49 and name HA) (resid 49 and name HG21)
    or (resid 49 and name HA) (resid 49 and name HG23)
assign (resid 49 and name HA) (resid 51 and name HN) 3.293 1.355 1.355 weight 1.000 ! spec=HCH, no=1145, id=4189, vol=1.010000e+07
assign (resid 52 and name HN) (resid 49 and name HA) 2.859 1.022 1.022 weight 1.000 ! spec=HCH, no=1146, id=4190, vol=2.350000e+07
assign (resid 49 and name HB) (resid 143 and name HB1) 3.725 1.734 1.734 weight 1.000 ! spec=HCH, no=1150, id=4194, vol=4.800000e+06
assign (resid 49 and name HB) (resid 90 and name HD22) 3.508 1.538 1.538 weight 1.000 ! spec=HCH, no=1151, id=4195, vol=6.880000e+06
    or (resid 49 and name HB) (resid 90 and name HD21)
    or (resid 49 and name HB) (resid 90 and name HD23)
assign (resid 48 and name HA) (resid 49 and name HB) 3.470 1.505 1.505 weight 1.000 ! spec=HCH, no=1154, id=4198, vol=7.340000e+06
assign (resid 49 and name HB) (resid 50 and name HN) 3.281 1.346 1.346 weight 1.000 ! spec=HCH, no=1161, id=4204, vol=1.030000e+07
assign (resid 49 and name HB) (resid 52 and name HG12) 3.190 1.272 1.272 weight 1.000 ! spec=HCH, no=1163, id=4206, vol=1.220000e+07
    or (resid 49 and name HB) (resid 52 and name HG11)
    or (resid 49 and name HB) (resid 52 and name HG13)
assign (resid 49 and name HD12) (resid 94 and name HN) 3.711 1.722 1.722 weight 1.000 ! spec=HCH, no=1164, id=4207, vol=4.910000e+06
    or (resid 49 and name HD11) (resid 94 and name HN)
    or (resid 49 and name HD13) (resid 94 and name HN)
assign (resid 49 and name HD12) (resid 143 and name HB1) 3.260 1.329 1.329 weight 1.000 ! spec=HCH, no=1168, id=4210, vol=1.070000e+07
    or (resid 49 and name HD11) (resid 143 and name HB1)
    or (resid 49 and name HD13) (resid 143 and name HB1)
assign (resid 49 and name HD12) (resid 143 and name HA) 3.250 1.320 1.320 weight 1.000 ! spec=HCH, no=1171, id=4213, vol=1.090000e+07
    or (resid 49 and name HD11) (resid 143 and name HA)
    or (resid 49 and name HD13) (resid 143 and name HA)
assign (resid 49 and name HD12) (resid 94 and name HA) 3.671 1.685 1.685 weight 1.000 ! spec=HCH, no=1175, id=4217, vol=5.240000e+06
    or (resid 49 and name HD11) (resid 94 and name HA)
    or (resid 49 and name HD13) (resid 94 and name HA)
assign (resid 49 and name HN) (resid 49 and name HD12) 3.030 1.148 1.148 weight 1.000 ! spec=HCH, no=1181, id=4223, vol=1.660000e+07
    or (resid 49 and name HN) (resid 49 and name HD11)
    or (resid 49 and name HN) (resid 49 and name HD13)
assign (resid 49 and name HD12) (resid 49 and name HB) 2.184 0.596 0.596 weight 1.000 ! spec=HCH, no=1183, id=4225, vol=1.180000e+08
    or (resid 49 and name HD11) (resid 49 and name HB)
    or (resid 49 and name HD13) (resid 49 and name HB)
assign (resid 49 and name HD12) (resid 49 and name HG12) 2.150 0.578 0.578 weight 1.000 ! spec=HCH, no=1184, id=4226, vol=1.300000e+08
    or (resid 49 and name HD11) (resid 49 and name HG12)
    or (resid 49 and name HD13) (resid 49 and name HG12)
assign (resid 49 and name HD12) (resid 49 and name HD11) 1.212 0.184 0.184 weight 1.000 ! spec=HCH, no=1185, id=4227, vol=4.050000e+09
    or (resid 49 and name HD12) (resid 49 and name HD13)
    or (resid 49 and name HD12) (resid 49 and name HD11)
    or (resid 49 and name HD11) (resid 49 and name HD13)
    or (resid 49 and name HD12) (resid 49 and name HD13)
    or (resid 49 and name HD11) (resid 49 and name HD13)
assign (resid 49 and name HD12) (resid 91 and name HN) 3.964 1.964 1.964 weight 1.000 ! spec=HCH, no=1189, id=4231, vol=3.310000e+06
    or (resid 49 and name HD11) (resid 91 and name HN)
    or (resid 49 and name HD13) (resid 91 and name HN)
assign (resid 49 and name HD12) (resid 128 and name HB2) 3.265 1.333 1.333 weight 1.000 ! spec=HCH, no=1190, id=4232, vol=1.060000e+07
    or (resid 49 and name HD11) (resid 128 and name HB2)
    or (resid 49 and name HD13) (resid 128 and name HB2)
assign (resid 49 and name HD12) (resid 143 and name HB2) 3.444 1.483 1.483 weight 1.000 ! spec=HCH, no=1191, id=4233, vol=7.690000e+06
    or (resid 49 and name HD11) (resid 143 and name HB2)
    or (resid 49 and name HD13) (resid 143 and name HB2)
assign (resid 49 and name HB) (resid 49 and name HG12) 2.505 0.784 0.784 weight 1.000 ! spec=HCH, no=1194, id=4236, vol=5.200000e+07
assign (resid 49 and name HG12) (resid 90 and name HD22) 3.355 1.407 1.407 weight 1.000 ! spec=HCH, no=1195, id=4237, vol=8.990000e+06
    or (resid 49 and name HG12) (resid 90 and name HD21)
    or (resid 49 and name HG12) (resid 90 and name HD23)
assign (resid 49 and name HG12) (resid 90 and name HD12) 3.119 1.216 1.216 weight 1.000 ! spec=HCH, no=1196, id=4238, vol=1.390000e+07
    or (resid 49 and name HG12) (resid 90 and name HD11)
    or (resid 49 and name HG12) (resid 90 and name HD13)
assign (resid 49 and name HN) (resid 49 and name HG12) 3.286 1.350 1.350 weight 1.000 ! spec=HCH, no=1200, id=4242, vol=1.020000e+07
assign (resid 49 and name HN) (resid 49 and name HG11) 3.214 1.291 1.291 weight 1.000 ! spec=HCH, no=1201, id=4243, vol=1.160000e+07
assign (resid 49 and name HG11) (resid 49 and name HA) 2.829 1.001 1.001 weight 1.000 ! spec=HCH, no=1203, id=4245, vol=2.500000e+07
assign (resid 49 and name HG12) (resid 105 and name HZ) 3.084 1.189 1.189 weight 1.000 ! spec=HCH, no=1206, id=4248, vol=1.490000e+07
assign (resid 49 and name HG11) (resid 105 and name HZ) 3.092 1.195 1.195 weight 1.000 ! spec=HCH, no=1207, id=4249, vol=1.470000e+07
assign (resid 49 and name HG22) (resid 53 and name HD1) 3.765 1.772 1.772 weight 1.000 ! spec=HCH, no=1216, id=4253, vol=4.500000e+06
    or (resid 49 and name HG21) (resid 53 and name HD1)
    or (resid 49 and name HG23) (resid 53 and name HD1)
assign (resid 49 and name HG11) (resid 49 and name HG22) 2.189 0.599 0.599 weight 1.000 ! spec=HCH, no=1218, id=4254, vol=1.170000e+08
    or (resid 49 and name HG11) (resid 49 and name HG21)
    or (resid 49 and name HG11) (resid 49 and name HG23)
assign (resid 49 and name HG22) (resid 105 and name HD1) 3.316 1.374 1.374 weight 1.000 ! spec=HCH, no=1221, id=4257, vol=9.650000e+06
    or (resid 49 and name HG22) (resid 105 and name HD2)
    or (resid 49 and name HG21) (resid 105 and name HD1)
    or (resid 49 and name HG21) (resid 105 and name HD2)
    or (resid 49 and name HG23) (resid 105 and name HD1)
    or (resid 49 and name HG23) (resid 105 and name HD2)
assign (resid 49 and name HG22) (resid 143 and name HN) 4.103 2.104 2.104 weight 1.000 ! spec=HCH, no=1224, id=4260, vol=2.690000e+06
    or (resid 49 and name HG21) (resid 143 and name HN)
    or (resid 49 and name HG23) (resid 143 and name HN)
assign (resid 48 and name HB1) (resid 49 and name HG22) 2.930 1.073 1.073 weight 1.000 ! spec=HCH, no=1226, id=4262, vol=2.030000e+07
    or (resid 48 and name HB1) (resid 49 and name HG21)
    or (resid 48 and name HB1) (resid 49 and name HG23)
assign (resid 49 and name HG22) (resid 144 and name HG2) 2.681 0.898 0.898 weight 1.000 ! spec=HCH, no=1234, id=4270, vol=3.450000e+07
    or (resid 49 and name HG22) (resid 144 and name HG1)
    or (resid 49 and name HG21) (resid 144 and name HG2)
    or (resid 49 and name HG21) (resid 144 and name HG1)
    or (resid 49 and name HG23) (resid 144 and name HG2)
    or (resid 49 and name HG23) (resid 144 and name HG1)
assign (resid 49 and name HG22) (resid 142 and name HA) 4.009 2.009 2.009 weight 1.000 ! spec=HCH, no=1236, id=4272, vol=3.090000e+06
    or (resid 49 and name HG21) (resid 142 and name HA)
    or (resid 49 and name HG23) (resid 142 and name HA)
assign (resid 49 and name HN) (resid 49 and name HG22) 2.247 0.631 0.631 weight 1.000 ! spec=HCH, no=1237, id=4273, vol=9.970000e+07
    or (resid 49 and name HN) (resid 49 and name HG21)
    or (resid 49 and name HN) (resid 49 and name HG23)
assign (resid 49 and name HB) (resid 49 and name HG22) 2.044 0.522 0.522 weight 1.000 ! spec=HCH, no=1239, id=4275, vol=1.760000e+08
    or (resid 49 and name HB) (resid 49 and name HG21)
    or (resid 49 and name HB) (resid 49 and name HG23)
assign (resid 49 and name HG22) (resid 49 and name HG21) 1.157 0.167 0.167 weight 1.000 ! spec=HCH, no=1240, id=4276, vol=5.340000e+09
    or (resid 49 and name HG22) (resid 49 and name HG23)
    or (resid 49 and name HG22) (resid 49 and name HG21)
    or (resid 49 and name HG21) (resid 49 and name HG23)
    or (resid 49 and name HG22) (resid 49 and name HG23)
    or (resid 49 and name HG21) (resid 49 and name HG23)
assign (resid 50 and name HN) (resid 49 and name HG22) 2.317 0.671 0.671 weight 1.000 ! spec=HCH, no=1241, id=4277, vol=8.290000e+07
    or (resid 50 and name HN) (resid 49 and name HG21)
    or (resid 50 and name HN) (resid 49 and name HG23)
assign (resid 49 and name HG22) (resid 50 and name HA) 2.824 0.997 0.997 weight 1.000 ! spec=HCH, no=1242, id=4278, vol=2.530000e+07
    or (resid 49 and name HG21) (resid 50 and name HA)
    or (resid 49 and name HG23) (resid 50 and name HA)
assign (resid 49 and name HG22) (resid 94 and name HA) 3.763 1.770 1.770 weight 1.000 ! spec=HCH, no=1243, id=4279, vol=4.520000e+06
    or (resid 49 and name HG21) (resid 94 and name HA)
    or (resid 49 and name HG23) (resid 94 and name HA)
assign (resid 49 and name HG22) (resid 94 and name HD1) 3.672 1.685 1.685 weight 1.000 ! spec=HCH, no=1244, id=4280, vol=5.230000e+06
    or (resid 49 and name HG21) (resid 94 and name HD1)
    or (resid 49 and name HG23) (resid 94 and name HD1)
assign (resid 49 and name HG22) (resid 105 and name HZ) 2.289 0.655 0.655 weight 1.000 ! spec=HCH, no=1245, id=4281, vol=8.920000e+07
    or (resid 49 and name HG21) (resid 105 and name HZ)
    or (resid 49 and name HG23) (resid 105 and name HZ)
assign (resid 50 and name HA) (resid 50 and name HG2) 2.646 0.875 0.875 weight 1.000 ! spec=HCH, no=1246, id=4282, vol=3.740000e+07
assign (resid 50 and name HA) (resid 50 and name HB2) 2.313 0.669 0.669 weight 1.000 ! spec=HCH, no=1257, id=4292, vol=8.380000e+07
assign (resid 50 and name HA) (resid 51 and name HA) 3.852 1.854 1.854 weight 1.000 ! spec=HCH, no=1259, id=4294, vol=3.930000e+06
assign (resid 50 and name HA) (resid 52 and name HG12) 3.781 1.787 1.787 weight 1.000 ! spec=HCH, no=1260, id=4295, vol=4.390000e+06
    or (resid 50 and name HA) (resid 52 and name HG11)
    or (resid 50 and name HA) (resid 52 and name HG13)
assign (resid 50 and name HA) (resid 53 and name HN) 2.878 1.035 1.035 weight 1.000 ! spec=HCH, no=1261, id=4296, vol=2.260000e+07
assign (resid 50 and name HA) (resid 53 and name HD2) 3.675 1.688 1.688 weight 1.000 ! spec=HCH, no=1262, id=4297, vol=5.200000e+06
assign (resid 50 and name HA) (resid 53 and name HG1) 2.780 0.966 0.966 weight 1.000 ! spec=HCH, no=1263, id=4298, vol=2.780000e+07
assign (resid 50 and name HA) (resid 53 and name HB2) 2.726 0.929 0.929 weight 1.000 ! spec=HCH, no=1264, id=4299, vol=3.120000e+07
assign (resid 50 and name HB2) (resid 50 and name HG2) 2.163 0.585 0.585 weight 1.000 ! spec=HCH, no=1268, id=4303, vol=1.250000e+08
assign (resid 49 and name HN) (resid 50 and name HB2) 3.825 1.828 1.828 weight 1.000 ! spec=HCH, no=1272, id=4307, vol=4.100000e+06
assign (resid 49 and name HG22) (resid 50 and name HB2) 3.263 1.331 1.331 weight 1.000 ! spec=HCH, no=1273, id=4308, vol=1.060000e+07
    or (resid 49 and name HG21) (resid 50 and name HB2)
    or (resid 49 and name HG23) (resid 50 and name HB2)
assign (resid 50 and name HB2) (resid 53 and name HG1) 3.653 1.668 1.668 weight 1.000 ! spec=HCH, no=1278, id=4312, vol=5.400000e+06
assign (resid 50 and name HG1) (resid 50 and name HB2) 2.219 0.615 0.615 weight 1.000 ! spec=HCH, no=1284, id=4318, vol=1.070000e+08
    or (resid 50 and name HG1) (resid 50 and name HB1)
assign (resid 50 and name HG1) (resid 49 and name HG22) 3.165 1.252 1.252 weight 1.000 ! spec=HCH, no=1286, id=4320, vol=1.270000e+07
    or (resid 50 and name HG1) (resid 49 and name HG21)
    or (resid 50 and name HG1) (resid 49 and name HG23)
assign (resid 50 and name HG1) (resid 50 and name HN) 2.938 1.079 1.079 weight 1.000 ! spec=HCH, no=1288, id=4322, vol=1.990000e+07
assign (resid 50 and name HG1) (resid 50 and name HA) 2.808 0.986 0.986 weight 1.000 ! spec=HCH, no=1290, id=4324, vol=2.610000e+07
assign (resid 50 and name HG1) (resid 51 and name HN) 3.507 1.537 1.537 weight 1.000 ! spec=HCH, no=1291, id=4325, vol=6.900000e+06
assign (resid 50 and name HG1) (resid 105 and name HZ) 3.803 1.808 1.808 weight 1.000 ! spec=HCH, no=1293, id=4327, vol=4.240000e+06
assign (resid 51 and name HA) (resid 51 and name HB1) 2.593 0.841 0.841 weight 1.000 ! spec=HCH, no=1295, id=4329, vol=4.220000e+07
assign (resid 51 and name HA) (resid 50 and name HB2) 3.081 1.187 1.187 weight 1.000 ! spec=HCH, no=1297, id=4331, vol=1.500000e+07
assign (resid 51 and name HA) (resid 54 and name HN) 2.960 1.095 1.095 weight 1.000 ! spec=HCH, no=1300, id=4334, vol=1.910000e+07
assign (resid 51 and name HB2) (resid 55 and name HE21) 3.816 1.820 1.820 weight 1.000 ! spec=HCH, no=1303, id=4337, vol=4.150000e+06
assign (resid 48 and name HN) (resid 51 and name HB2) 3.040 1.155 1.155 weight 1.000 ! spec=HCH, no=1305, id=4339, vol=1.630000e+07
assign (resid 46 and name HA) (resid 51 and name HB2) 2.543 0.808 0.808 weight 1.000 ! spec=HCH, no=1308, id=4342, vol=4.740000e+07
assign (resid 46 and name HA) (resid 51 and name HB1) 2.681 0.898 0.898 weight 1.000 ! spec=HCH, no=1309, id=4343, vol=3.460000e+07
assign (resid 51 and name HN) (resid 51 and name HB2) 2.997 1.123 1.123 weight 1.000 ! spec=HCH, no=1315, id=4349, vol=1.770000e+07
assign (resid 51 and name HB2) (resid 51 and name HA) 2.543 0.808 0.808 weight 1.000 ! spec=HCH, no=1317, id=4351, vol=4.740000e+07
assign (resid 46 and name HG22) (resid 52 and name HA) 2.794 0.976 0.976 weight 1.000 ! spec=HCH, no=1323, id=4357, vol=2.690000e+07
    or (resid 46 and name HG21) (resid 52 and name HA)
    or (resid 46 and name HG23) (resid 52 and name HA)
assign (resid 52 and name HA) (resid 52 and name HB) 2.882 1.039 1.039 weight 1.000 ! spec=HCH, no=1327, id=4360, vol=2.240000e+07
assign (resid 52 and name HA) (resid 52 and name HG12) 2.374 0.704 0.704 weight 1.000 ! spec=HCH, no=1328, id=4361, vol=7.170000e+07
    or (resid 52 and name HA) (resid 52 and name HG11)
    or (resid 52 and name HA) (resid 52 and name HG13)
assign (resid 52 and name HA) (resid 55 and name HB2) 3.267 1.334 1.334 weight 1.000 ! spec=HCH, no=1332, id=4365, vol=1.050000e+07
assign (resid 52 and name HA) (resid 55 and name HG1) 3.198 1.279 1.279 weight 1.000 ! spec=HCH, no=1335, id=4368, vol=1.200000e+07
assign (resid 52 and name HB) (resid 46 and name HG12) 3.222 1.297 1.297 weight 1.000 ! spec=HCH, no=1336, id=4369, vol=1.150000e+07
    or (resid 52 and name HB) (resid 46 and name HG11)
    or (resid 52 and name HB) (resid 46 and name HG13)
assign (resid 52 and name HB) (resid 46 and name HG22) 3.289 1.352 1.352 weight 1.000 ! spec=HCH, no=1337, id=4370, vol=1.010000e+07
    or (resid 52 and name HB) (resid 46 and name HG21)
    or (resid 52 and name HB) (resid 46 and name HG23)
assign (resid 49 and name HA) (resid 52 and name HB) 3.007 1.130 1.130 weight 1.000 ! spec=HCH, no=1338, id=4371, vol=1.740000e+07
assign (resid 52 and name HB) (resid 49 and name HG12) 3.478 1.512 1.512 weight 1.000 ! spec=HCH, no=1339, id=4372, vol=7.250000e+06
assign (resid 52 and name HB) (resid 53 and name HG1) 4.023 2.023 2.023 weight 1.000 ! spec=HCH, no=1347, id=4379, vol=3.020000e+06
assign (resid 52 and name HG12) (resid 48 and name HA) 3.597 1.617 1.617 weight 1.000 ! spec=HCH, no=1350, id=4382, vol=5.920000e+06
    or (resid 52 and name HG11) (resid 48 and name HA)
    or (resid 52 and name HG13) (resid 48 and name HA)
assign (resid 52 and name HG12) (resid 55 and name HE22) 3.726 1.735 1.735 weight 1.000 ! spec=HCH, no=1351, id=4383, vol=4.790000e+06
    or (resid 52 and name HG11) (resid 55 and name HE22)
    or (resid 52 and name HG13) (resid 55 and name HE22)
assign (resid 52 and name HG12) (resid 48 and name HN) 3.061 1.171 1.171 weight 1.000 ! spec=HCH, no=1354, id=4385, vol=1.560000e+07
    or (resid 52 and name HG11) (resid 48 and name HN)
    or (resid 52 and name HG13) (resid 48 and name HN)
assign (resid 49 and name HA) (resid 52 and name HG12) 2.394 0.717 0.717 weight 1.000 ! spec=HCH, no=1360, id=4391, vol=6.810000e+07
    or (resid 49 and name HA) (resid 52 and name HG11)
    or (resid 49 and name HA) (resid 52 and name HG13)
assign (resid 52 and name HG12) (resid 49 and name HG12) 2.820 0.994 0.994 weight 1.000 ! spec=HCH, no=1362, id=4393, vol=2.550000e+07
    or (resid 52 and name HG11) (resid 49 and name HG12)
    or (resid 52 and name HG13) (resid 49 and name HG12)
assign (resid 51 and name HB1) (resid 52 and name HG12) 3.005 1.129 1.129 weight 1.000 ! spec=HCH, no=1367, id=4398, vol=1.740000e+07
    or (resid 51 and name HB1) (resid 52 and name HG11)
    or (resid 51 and name HB1) (resid 52 and name HG13)
assign (resid 52 and name HN) (resid 52 and name HG12) 2.217 0.614 0.614 weight 1.000 ! spec=HCH, no=1368, id=4399, vol=1.080000e+08
    or (resid 52 and name HN) (resid 52 and name HG11)
    or (resid 52 and name HN) (resid 52 and name HG13)
assign (resid 52 and name HB) (resid 52 and name HG12) 2.128 0.566 0.566 weight 1.000 ! spec=HCH, no=1370, id=4401, vol=1.380000e+08
    or (resid 52 and name HB) (resid 52 and name HG11)
    or (resid 52 and name HB) (resid 52 and name HG13)
assign (resid 52 and name HG12) (resid 52 and name HG11) 1.294 0.209 0.209 weight 1.000 ! spec=HCH, no=1371, id=4402, vol=2.740000e+09
    or (resid 52 and name HG12) (resid 52 and name HG13)
    or (resid 52 and name HG12) (resid 52 and name HG11)
    or (resid 52 and name HG11) (resid 52 and name HG13)
    or (resid 52 and name HG12) (resid 52 and name HG13)
    or (resid 52 and name HG11) (resid 52 and name HG13)
assign (resid 52 and name HG12) (resid 53 and name HN) 2.713 0.920 0.920 weight 1.000 ! spec=HCH, no=1372, id=4403, vol=3.220000e+07
    or (resid 52 and name HG11) (resid 53 and name HN)
    or (resid 52 and name HG13) (resid 53 and name HN)
assign (resid 52 and name HG12) (resid 53 and name HG1) 2.999 1.125 1.125 weight 1.000 ! spec=HCH, no=1374, id=4405, vol=1.760000e+07
    or (resid 52 and name HG11) (resid 53 and name HG1)
    or (resid 52 and name HG13) (resid 53 and name HG1)
assign (resid 52 and name HG12) (resid 143 and name HB2) 3.040 1.156 1.156 weight 1.000 ! spec=HCH, no=1377, id=4408, vol=1.620000e+07
    or (resid 52 and name HG11) (resid 143 and name HB2)
    or (resid 52 and name HG13) (resid 143 and name HB2)
assign (resid 52 and name HG22) (resid 149 and name HN) 3.279 1.344 1.344 weight 1.000 ! spec=HCH, no=1383, id=4414, vol=1.030000e+07
    or (resid 52 and name HG21) (resid 149 and name HN)
    or (resid 52 and name HG23) (resid 149 and name HN)
assign (resid 52 and name HG22) (resid 63 and name HG2) 2.720 0.925 0.925 weight 1.000 ! spec=HCH, no=1384, id=4415, vol=3.170000e+07
    or (resid 52 and name HG21) (resid 63 and name HG2)
    or (resid 52 and name HG23) (resid 63 and name HG2)
assign (resid 52 and name HG22) (resid 52 and name HN) 2.783 0.968 0.968 weight 1.000 ! spec=HCH, no=1388, id=4419, vol=2.760000e+07
    or (resid 52 and name HG21) (resid 52 and name HN)
    or (resid 52 and name HG23) (resid 52 and name HN)
assign (resid 52 and name HA) (resid 52 and name HG22) 2.232 0.623 0.623 weight 1.000 ! spec=HCH, no=1389, id=4420, vol=1.040000e+08
    or (resid 52 and name HA) (resid 52 and name HG21)
    or (resid 52 and name HA) (resid 52 and name HG23)
assign (resid 52 and name HB) (resid 52 and name HG22) 2.162 0.584 0.584 weight 1.000 ! spec=HCH, no=1390, id=4421, vol=1.250000e+08
    or (resid 52 and name HB) (resid 52 and name HG21)
    or (resid 52 and name HB) (resid 52 and name HG23)
assign (resid 53 and name HN) (resid 52 and name HG22) 2.721 0.926 0.926 weight 1.000 ! spec=HCH, no=1391, id=4422, vol=3.160000e+07
    or (resid 53 and name HN) (resid 52 and name HG21)
    or (resid 53 and name HN) (resid 52 and name HG23)
assign (resid 53 and name HB2) (resid 53 and name HD2) 3.109 1.208 1.208 weight 1.000 ! spec=HCH, no=1393, id=4424, vol=1.420000e+07
assign (resid 53 and name HB2) (resid 52 and name HN) 3.608 1.628 1.628 weight 1.000 ! spec=HCH, no=1397, id=4428, vol=5.810000e+06
assign (resid 53 and name HB2) (resid 105 and name HD1) 3.585 1.607 1.607 weight 1.000 ! spec=HCH, no=1402, id=4433, vol=6.040000e+06
assign (resid 53 and name HD2) (resid 53 and name HG1) 2.183 0.596 0.596 weight 1.000 ! spec=HCH, no=1409, id=4439, vol=1.180000e+08
assign (resid 63 and name HN) (resid 53 and name HG2) 3.774 1.781 1.781 weight 1.000 ! spec=HCH, no=1411, id=4441, vol=4.440000e+06
assign (resid 53 and name HG2) (resid 51 and name HA) 4.062 2.063 2.063 weight 1.000 ! spec=HCH, no=1414, id=4444, vol=2.850000e+06
assign (resid 53 and name HG2) (resid 52 and name HN) 3.747 1.755 1.755 weight 1.000 ! spec=HCH, no=1417, id=4447, vol=4.630000e+06
assign (resid 53 and name HG2) (resid 53 and name HA) 3.841 1.844 1.844 weight 1.000 ! spec=HCH, no=1418, id=4448, vol=3.990000e+06
assign (resid 53 and name HG2) (resid 53 and name HD2) 2.937 1.079 1.079 weight 1.000 ! spec=HCH, no=1419, id=4449, vol=2.000000e+07
assign (resid 53 and name HG2) (resid 53 and name HD1) 3.032 1.149 1.149 weight 1.000 ! spec=HCH, no=1421, id=4451, vol=1.650000e+07
assign (resid 53 and name HG1) (resid 53 and name HD1) 3.128 1.223 1.223 weight 1.000 ! spec=HCH, no=1422, id=4452, vol=1.370000e+07
assign (resid 53 and name HE) (resid 53 and name HG1) 3.199 1.279 1.279 weight 1.000 ! spec=HCH, no=1424, id=4454, vol=1.200000e+07
assign (resid 53 and name HG2) (resid 53 and name HG1) 2.296 0.659 0.659 weight 1.000 ! spec=HCH, no=1425, id=4455, vol=8.750000e+07
assign (resid 54 and name HB2) (resid 52 and name HG22) 3.704 1.715 1.715 weight 1.000 ! spec=HCH, no=1432, id=4461, vol=4.960000e+06
    or (resid 54 and name HB2) (resid 52 and name HG21)
    or (resid 54 and name HB2) (resid 52 and name HG23)
assign (resid 54 and name HB2) (resid 57 and name HN) 3.779 1.785 1.785 weight 1.000 ! spec=HCH, no=1433, id=4462, vol=4.400000e+06
assign (resid 51 and name HA) (resid 54 and name HB2) 2.529 0.799 0.799 weight 1.000 ! spec=HCH, no=1438, id=4467, vol=4.900000e+07
assign (resid 54 and name HB2) (resid 53 and name HG1) 3.330 1.386 1.386 weight 1.000 ! spec=HCH, no=1439, id=4468, vol=9.400000e+06
assign (resid 54 and name HA) (resid 54 and name HB2) 2.370 0.702 0.702 weight 1.000 ! spec=HCH, no=1441, id=4470, vol=7.230000e+07
assign (resid 54 and name HD21) (resid 54 and name HB2) 2.442 0.745 0.745 weight 1.000 ! spec=HCH, no=1442, id=4471, vol=6.050000e+07
assign (resid 54 and name HB2) (resid 55 and name HA) 3.479 1.513 1.513 weight 1.000 ! spec=HCH, no=1444, id=4473, vol=7.240000e+06
assign (resid 55 and name HA) (resid 55 and name HB2) 2.411 0.727 0.727 weight 1.000 ! spec=HCH, no=1447, id=4476, vol=6.520000e+07
assign (resid 55 and name HA) (resid 58 and name HB1) 2.874 1.033 1.033 weight 1.000 ! spec=HCH, no=1449, id=4478, vol=2.270000e+07
assign (resid 55 and name HA) (resid 40 and name HD22) 3.210 1.288 1.288 weight 1.000 ! spec=HCH, no=1450, id=4479, vol=1.170000e+07
    or (resid 55 and name HA) (resid 40 and name HD21)
    or (resid 55 and name HA) (resid 40 and name HD23)
assign (resid 56 and name HN) (resid 55 and name HA) 3.043 1.157 1.157 weight 1.000 ! spec=HCH, no=1453, id=4481, vol=1.620000e+07
assign (resid 55 and name HA) (resid 58 and name HN) 3.167 1.254 1.254 weight 1.000 ! spec=HCH, no=1455, id=4483, vol=1.270000e+07
assign (resid 55 and name HB1) (resid 40 and name HD22) 3.139 1.232 1.232 weight 1.000 ! spec=HCH, no=1460, id=4488, vol=1.340000e+07
    or (resid 55 and name HB1) (resid 40 and name HD21)
    or (resid 55 and name HB1) (resid 40 and name HD23)
assign (resid 55 and name HN) (resid 55 and name HB1) 2.948 1.086 1.086 weight 1.000 ! spec=HCH, no=1462, id=4490, vol=1.950000e+07
assign (resid 55 and name HB1) (resid 55 and name HA) 2.820 0.994 0.994 weight 1.000 ! spec=HCH, no=1464, id=4492, vol=2.550000e+07
assign (resid 55 and name HB1) (resid 55 and name HB2) 2.077 0.539 0.539 weight 1.000 ! spec=HCH, no=1465, id=4493, vol=1.600000e+08
assign (resid 56 and name HN) (resid 55 and name HB1) 3.156 1.245 1.245 weight 1.000 ! spec=HCH, no=1467, id=4495, vol=1.300000e+07
assign (resid 55 and name HB2) (resid 151 and name HG21) 3.112 1.211 1.211 weight 1.000 ! spec=HCH, no=1468, id=4496, vol=1.410000e+07
    or (resid 55 and name HB2) (resid 151 and name HG22)
    or (resid 55 and name HB2) (resid 151 and name HG23)
assign (resid 55 and name HB1) (resid 151 and name HG21) 3.171 1.257 1.257 weight 1.000 ! spec=HCH, no=1469, id=4497, vol=1.260000e+07
    or (resid 55 and name HB1) (resid 151 and name HG22)
    or (resid 55 and name HB1) (resid 151 and name HG23)
assign (resid 55 and name HG2) (resid 54 and name HB2) 3.056 1.168 1.168 weight 1.000 ! spec=HCH, no=1473, id=4501, vol=1.570000e+07
    or (resid 55 and name HG2) (resid 54 and name HB1)
assign (resid 55 and name HG1) (resid 151 and name HG21) 3.141 1.233 1.233 weight 1.000 ! spec=HCH, no=1475, id=4503, vol=1.330000e+07
    or (resid 55 and name HG1) (resid 151 and name HG22)
    or (resid 55 and name HG1) (resid 151 and name HG23)
assign (resid 55 and name HG2) (resid 40 and name HD22) 3.400 1.445 1.445 weight 1.000 ! spec=HCH, no=1477, id=4505, vol=8.300000e+06
    or (resid 55 and name HG2) (resid 40 and name HD21)
    or (resid 55 and name HG2) (resid 40 and name HD23)
assign (resid 55 and name HG2) (resid 52 and name HA) 3.099 1.201 1.201 weight 1.000 ! spec=HCH, no=1479, id=4507, vol=1.450000e+07
assign (resid 55 and name HN) (resid 55 and name HG1) 2.718 0.924 0.924 weight 1.000 ! spec=HCH, no=1482, id=4510, vol=3.180000e+07
assign (resid 55 and name HG2) (resid 55 and name HA) 2.820 0.994 0.994 weight 1.000 ! spec=HCH, no=1483, id=4511, vol=2.550000e+07
assign (resid 55 and name HG1) (resid 55 and name HA) 2.915 1.062 1.062 weight 1.000 ! spec=HCH, no=1484, id=4512, vol=2.090000e+07
assign (resid 56 and name HB2) (resid 56 and name HA) 2.908 1.057 1.057 weight 1.000 ! spec=HCH, no=1503, id=4529, vol=2.120000e+07
assign (resid 56 and name HB1) (resid 56 and name HA) 3.037 1.153 1.153 weight 1.000 ! spec=HCH, no=1504, id=4530, vol=1.630000e+07
assign (resid 56 and name HB1) (resid 56 and name HB2) 2.389 0.713 0.713 weight 1.000 ! spec=HCH, no=1506, id=4532, vol=6.900000e+07
assign (resid 56 and name HB1) (resid 61 and name HB2) 3.247 1.318 1.318 weight 1.000 ! spec=HCH, no=1511, id=4536, vol=1.100000e+07
    or (resid 56 and name HB1) (resid 61 and name HB1)
    or (resid 56 and name HB1) (resid 61 and name HB3)
assign (resid 56 and name HB2) (resid 62 and name HN) 3.461 1.497 1.497 weight 1.000 ! spec=HCH, no=1512, id=4537, vol=7.460000e+06
assign (resid 56 and name HB1) (resid 62 and name HN) 3.554 1.579 1.579 weight 1.000 ! spec=HCH, no=1513, id=4538, vol=6.360000e+06
assign (resid 56 and name HB2) (resid 62 and name HA) 2.977 1.108 1.108 weight 1.000 ! spec=HCH, no=1514, id=4539, vol=1.840000e+07
assign (resid 56 and name HB2) (resid 63 and name HN) 3.888 1.889 1.889 weight 1.000 ! spec=HCH, no=1516, id=4541, vol=3.710000e+06
assign (resid 56 and name HB1) (resid 63 and name HN) 3.817 1.822 1.822 weight 1.000 ! spec=HCH, no=1517, id=4542, vol=4.140000e+06
assign (resid 57 and name HA) (resid 56 and name HB2) 3.257 1.326 1.326 weight 1.000 ! spec=HCH, no=1521, id=4546, vol=1.070000e+07
assign (resid 57 and name HA) (resid 58 and name HN) 3.143 1.235 1.235 weight 1.000 ! spec=HCH, no=1526, id=4550, vol=1.330000e+07
assign (resid 57 and name HA) (resid 61 and name HB2) 3.097 1.199 1.199 weight 1.000 ! spec=HCH, no=1530, id=4554, vol=1.450000e+07
    or (resid 57 and name HA) (resid 61 and name HB1)
    or (resid 57 and name HA) (resid 61 and name HB3)
assign (resid 57 and name HB) (resid 59 and name HN) 3.873 1.875 1.875 weight 1.000 ! spec=HCH, no=1533, id=4557, vol=3.800000e+06
assign (resid 57 and name HB) (resid 53 and name HD2) 3.621 1.639 1.639 weight 1.000 ! spec=HCH, no=1536, id=4560, vol=5.690000e+06
assign (resid 57 and name HA) (resid 57 and name HB) 2.456 0.754 0.754 weight 1.000 ! spec=HCH, no=1539, id=4563, vol=5.840000e+07
assign (resid 57 and name HB) (resid 58 and name HN) 3.059 1.170 1.170 weight 1.000 ! spec=HCH, no=1542, id=4565, vol=1.570000e+07
assign (resid 57 and name HG21) (resid 63 and name HN) 3.512 1.541 1.541 weight 1.000 ! spec=HCH, no=1545, id=4568, vol=6.840000e+06
    or (resid 57 and name HG22) (resid 63 and name HN)
    or (resid 57 and name HG23) (resid 63 and name HN)
assign (resid 57 and name HG21) (resid 53 and name HD2) 2.746 0.943 0.943 weight 1.000 ! spec=HCH, no=1547, id=4570, vol=2.990000e+07
    or (resid 57 and name HG22) (resid 53 and name HD2)
    or (resid 57 and name HG23) (resid 53 and name HD2)
assign (resid 57 and name HG21) (resid 62 and name HA) 2.663 0.887 0.887 weight 1.000 ! spec=HCH, no=1549, id=4572, vol=3.590000e+07
    or (resid 57 and name HG22) (resid 62 and name HA)
    or (resid 57 and name HG23) (resid 62 and name HA)
assign (resid 56 and name HN) (resid 57 and name HG21) 3.114 1.212 1.212 weight 1.000 ! spec=HCH, no=1550, id=4573, vol=1.410000e+07
    or (resid 56 and name HN) (resid 57 and name HG22)
    or (resid 56 and name HN) (resid 57 and name HG23)
assign (resid 56 and name HB1) (resid 57 and name HG21) 2.944 1.083 1.083 weight 1.000 ! spec=HCH, no=1554, id=4577, vol=1.970000e+07
    or (resid 56 and name HB1) (resid 57 and name HG22)
    or (resid 56 and name HB1) (resid 57 and name HG23)
assign (resid 57 and name HN) (resid 57 and name HG21) 2.227 0.620 0.620 weight 1.000 ! spec=HCH, no=1555, id=4578, vol=1.050000e+08
    or (resid 57 and name HN) (resid 57 and name HG22)
    or (resid 57 and name HN) (resid 57 and name HG23)
assign (resid 57 and name HA) (resid 57 and name HG21) 2.211 0.611 0.611 weight 1.000 ! spec=HCH, no=1557, id=4580, vol=1.100000e+08
    or (resid 57 and name HA) (resid 57 and name HG22)
    or (resid 57 and name HA) (resid 57 and name HG23)
assign (resid 57 and name HB) (resid 57 and name HG21) 2.066 0.534 0.534 weight 1.000 ! spec=HCH, no=1558, id=4581, vol=1.650000e+08
    or (resid 57 and name HB) (resid 57 and name HG22)
    or (resid 57 and name HB) (resid 57 and name HG23)
assign (resid 58 and name HN) (resid 57 and name HG21) 2.836 1.005 1.005 weight 1.000 ! spec=HCH, no=1559, id=4582, vol=2.470000e+07
    or (resid 58 and name HN) (resid 57 and name HG22)
    or (resid 58 and name HN) (resid 57 and name HG23)
assign (resid 57 and name HG21) (resid 61 and name HN) 3.126 1.221 1.221 weight 1.000 ! spec=HCH, no=1561, id=4584, vol=1.370000e+07
    or (resid 57 and name HG22) (resid 61 and name HN)
    or (resid 57 and name HG23) (resid 61 and name HN)
assign (resid 58 and name HA) (resid 58 and name HB2) 2.360 0.696 0.696 weight 1.000 ! spec=HCH, no=1564, id=4586, vol=7.420000e+07
assign (resid 58 and name HA) (resid 58 and name HB1) 2.422 0.733 0.733 weight 1.000 ! spec=HCH, no=1565, id=4587, vol=6.360000e+07
assign (resid 58 and name HA) (resid 59 and name HN) 2.935 1.077 1.077 weight 1.000 ! spec=HCH, no=1566, id=4588, vol=2.010000e+07
assign (resid 58 and name HB2) (resid 55 and name HA) 3.178 1.263 1.263 weight 1.000 ! spec=HCH, no=1570, id=4592, vol=1.240000e+07
assign (resid 58 and name HB2) (resid 57 and name HN) 4.010 2.010 2.010 weight 1.000 ! spec=HCH, no=1572, id=4594, vol=3.080000e+06
assign (resid 58 and name HB1) (resid 58 and name HB2) 2.094 0.548 0.548 weight 1.000 ! spec=HCH, no=1578, id=4600, vol=1.520000e+08
assign (resid 59 and name HB2) (resid 59 and name HA) 3.159 1.247 1.247 weight 1.000 ! spec=HCH, no=1588, id=4610, vol=1.290000e+07
assign (resid 59 and name HB1) (resid 59 and name HA) 2.996 1.122 1.122 weight 1.000 ! spec=HCH, no=1589, id=4611, vol=1.770000e+07
assign (resid 59 and name HB1) (resid 59 and name HB2) 2.434 0.741 0.741 weight 1.000 ! spec=HCH, no=1591, id=4612, vol=6.170000e+07
assign (resid 60 and name HA2) (resid 61 and name HA) 3.818 1.823 1.823 weight 1.000 ! spec=HCH, no=1594, id=4614, vol=4.140000e+06
assign (resid 60 and name HA2) (resid 57 and name HA) 3.602 1.622 1.622 weight 1.000 ! spec=HCH, no=1595, id=4615, vol=5.870000e+06
assign (resid 60 and name HA1) (resid 57 and name HA) 3.664 1.678 1.678 weight 1.000 ! spec=HCH, no=1596, id=4616, vol=5.300000e+06
assign (resid 60 and name HA1) (resid 61 and name HA) 3.691 1.703 1.703 weight 1.000 ! spec=HCH, no=1604, id=4623, vol=5.070000e+06
assign (resid 61 and name HA) (resid 29 and name HZ3) 3.531 1.559 1.559 weight 1.000 ! spec=HCH, no=1609, id=4628, vol=6.620000e+06
assign (resid 61 and name HA) (resid 153 and name HB1) 3.625 1.643 1.643 weight 1.000 ! spec=HCH, no=1613, id=4631, vol=5.650000e+06
assign (resid 61 and name HA) (resid 154 and name HN) 3.644 1.660 1.660 weight 1.000 ! spec=HCH, no=1614, id=4632, vol=5.480000e+06
assign (resid 61 and name HA) (resid 155 and name HA) 3.103 1.204 1.204 weight 1.000 ! spec=HCH, no=1615, id=4633, vol=1.440000e+07
assign (resid 61 and name HA) (resid 155 and name HB) 2.589 0.838 0.838 weight 1.000 ! spec=HCH, no=1616, id=4634, vol=4.250000e+07
assign (resid 61 and name HA) (resid 155 and name HG21) 2.986 1.114 1.114 weight 1.000 ! spec=HCH, no=1617, id=4635, vol=1.810000e+07
    or (resid 61 and name HA) (resid 155 and name HG22)
    or (resid 61 and name HA) (resid 155 and name HG23)
assign (resid 38 and name HD12) (resid 61 and name HB2) 3.554 1.579 1.579 weight 1.000 ! spec=HCH, no=1618, id=4636, vol=6.370000e+06
    or (resid 38 and name HD12) (resid 61 and name HB1)
    or (resid 38 and name HD12) (resid 61 and name HB3)
    or (resid 38 and name HD11) (resid 61 and name HB2)
    or (resid 38 and name HD11) (resid 61 and name HB1)
    or (resid 38 and name HD11) (resid 61 and name HB3)
    or (resid 38 and name HD13) (resid 61 and name HB2)
    or (resid 38 and name HD13) (resid 61 and name HB1)
    or (resid 38 and name HD13) (resid 61 and name HB3)
assign (resid 56 and name HB2) (resid 61 and name HB2) 2.772 0.961 0.961 weight 1.000 ! spec=HCH, no=1623, id=4641, vol=2.820000e+07
    or (resid 56 and name HB2) (resid 61 and name HB1)
    or (resid 56 and name HB2) (resid 61 and name HB3)
assign (resid 38 and name HG22) (resid 61 and name HB2) 2.963 1.097 1.097 weight 1.000 ! spec=HCH, no=1626, id=4644, vol=1.900000e+07
    or (resid 38 and name HG22) (resid 61 and name HB1)
    or (resid 38 and name HG22) (resid 61 and name HB3)
    or (resid 38 and name HG21) (resid 61 and name HB2)
    or (resid 38 and name HG21) (resid 61 and name HB1)
    or (resid 38 and name HG21) (resid 61 and name HB3)
    or (resid 38 and name HG23) (resid 61 and name HB2)
    or (resid 38 and name HG23) (resid 61 and name HB1)
    or (resid 38 and name HG23) (resid 61 and name HB3)
assign (resid 61 and name HB2) (resid 29 and name HE3) 3.672 1.686 1.686 weight 1.000 ! spec=HCH, no=1633, id=4651, vol=5.230000e+06
    or (resid 61 and name HB1) (resid 29 and name HE3)
    or (resid 61 and name HB3) (resid 29 and name HE3)
assign (resid 61 and name HB2) (resid 29 and name HZ2) 2.952 1.089 1.089 weight 1.000 ! spec=HCH, no=1634, id=4652, vol=1.940000e+07
    or (resid 61 and name HB1) (resid 29 and name HZ2)
    or (resid 61 and name HB3) (resid 29 and name HZ2)
assign (resid 61 and name HB2) (resid 40 and name HD12) 3.763 1.770 1.770 weight 1.000 ! spec=HCH, no=1636, id=4654, vol=4.520000e+06
    or (resid 61 and name HB2) (resid 40 and name HD11)
    or (resid 61 and name HB2) (resid 40 and name HD13)
    or (resid 61 and name HB1) (resid 40 and name HD12)
    or (resid 61 and name HB1) (resid 40 and name HD11)
    or (resid 61 and name HB1) (resid 40 and name HD13)
    or (resid 61 and name HB3) (resid 40 and name HD12)
    or (resid 61 and name HB3) (resid 40 and name HD11)
    or (resid 61 and name HB3) (resid 40 and name HD13)
assign (resid 61 and name HB2) (resid 40 and name HD22) 3.842 1.845 1.845 weight 1.000 ! spec=HCH, no=1637, id=4655, vol=3.990000e+06
    or (resid 61 and name HB2) (resid 40 and name HD21)
    or (resid 61 and name HB2) (resid 40 and name HD23)
    or (resid 61 and name HB1) (resid 40 and name HD22)
    or (resid 61 and name HB1) (resid 40 and name HD21)
    or (resid 61 and name HB1) (resid 40 and name HD23)
    or (resid 61 and name HB3) (resid 40 and name HD22)
    or (resid 61 and name HB3) (resid 40 and name HD21)
    or (resid 61 and name HB3) (resid 40 and name HD23)
assign (resid 61 and name HB2) (resid 56 and name HN) 3.631 1.648 1.648 weight 1.000 ! spec=HCH, no=1638, id=4656, vol=5.590000e+06
    or (resid 61 and name HB1) (resid 56 and name HN)
    or (resid 61 and name HB3) (resid 56 and name HN)
assign (resid 61 and name HA) (resid 61 and name HB2) 2.242 0.628 0.628 weight 1.000 ! spec=HCH, no=1640, id=4658, vol=1.010000e+08
    or (resid 61 and name HA) (resid 61 and name HB1)
    or (resid 61 and name HA) (resid 61 and name HB3)
assign (resid 61 and name HB2) (resid 61 and name HB1) 1.374 0.236 0.236 weight 1.000 ! spec=HCH, no=1641, id=4659, vol=1.910000e+09
    or (resid 61 and name HB2) (resid 61 and name HB3)
    or (resid 61 and name HB2) (resid 61 and name HB1)
    or (resid 61 and name HB1) (resid 61 and name HB3)
    or (resid 61 and name HB2) (resid 61 and name HB3)
    or (resid 61 and name HB1) (resid 61 and name HB3)
assign (resid 62 and name HN) (resid 61 and name HB2) 2.224 0.618 0.618 weight 1.000 ! spec=HCH, no=1642, id=4660, vol=1.060000e+08
    or (resid 62 and name HN) (resid 61 and name HB1)
    or (resid 62 and name HN) (resid 61 and name HB3)
assign (resid 61 and name HB2) (resid 153 and name HA) 3.080 1.185 1.185 weight 1.000 ! spec=HCH, no=1643, id=4661, vol=1.500000e+07
    or (resid 61 and name HB1) (resid 153 and name HA)
    or (resid 61 and name HB3) (resid 153 and name HA)
assign (resid 61 and name HB2) (resid 153 and name HB2) 2.636 0.869 0.869 weight 1.000 ! spec=HCH, no=1644, id=4662, vol=3.820000e+07
    or (resid 61 and name HB1) (resid 153 and name HB2)
    or (resid 61 and name HB3) (resid 153 and name HB2)
assign (resid 61 and name HB2) (resid 153 and name HB1) 2.366 0.700 0.700 weight 1.000 ! spec=HCH, no=1645, id=4663, vol=7.310000e+07
    or (resid 61 and name HB1) (resid 153 and name HB1)
    or (resid 61 and name HB3) (resid 153 and name HB1)
assign (resid 61 and name HB2) (resid 154 and name HA) 3.530 1.558 1.558 weight 1.000 ! spec=HCH, no=1646, id=4664, vol=6.620000e+06
    or (resid 61 and name HB1) (resid 154 and name HA)
    or (resid 61 and name HB3) (resid 154 and name HA)
assign (resid 61 and name HB2) (resid 155 and name HA) 2.812 0.988 0.988 weight 1.000 ! spec=HCH, no=1647, id=4665, vol=2.600000e+07
    or (resid 61 and name HB1) (resid 155 and name HA)
    or (resid 61 and name HB3) (resid 155 and name HA)
assign (resid 61 and name HB2) (resid 155 and name HB) 2.515 0.790 0.790 weight 1.000 ! spec=HCH, no=1648, id=4666, vol=5.070000e+07
    or (resid 61 and name HB1) (resid 155 and name HB)
    or (resid 61 and name HB3) (resid 155 and name HB)
assign (resid 62 and name HA) (resid 61 and name HB2) 3.097 1.199 1.199 weight 1.000 ! spec=HCH, no=1653, id=4671, vol=1.450000e+07
    or (resid 62 and name HA) (resid 61 and name HB1)
    or (resid 62 and name HA) (resid 61 and name HB3)
assign (resid 56 and name HB1) (resid 62 and name HA) 2.743 0.941 0.941 weight 1.000 ! spec=HCH, no=1654, id=4672, vol=3.010000e+07
assign (resid 62 and name HN) (resid 62 and name HA) 2.757 0.950 0.950 weight 1.000 ! spec=HCH, no=1657, id=4675, vol=2.920000e+07
assign (resid 62 and name HA) (resid 62 and name HB1) 2.770 0.959 0.959 weight 1.000 ! spec=HCH, no=1659, id=4676, vol=2.840000e+07
assign (resid 62 and name HB1) (resid 62 and name HB2) 2.284 0.652 0.652 weight 1.000 ! spec=HCH, no=1667, id=4680, vol=9.030000e+07
assign (resid 63 and name HA) (resid 63 and name HG2) 2.565 0.822 0.822 weight 1.000 ! spec=HCH, no=1673, id=4683, vol=4.500000e+07
assign (resid 63 and name HA) (resid 153 and name HA) 2.795 0.976 0.976 weight 1.000 ! spec=HCH, no=1674, id=4684, vol=2.690000e+07
assign (resid 63 and name HB1) (resid 63 and name HE2) 3.067 1.176 1.176 weight 1.000 ! spec=HCH, no=1680, id=4690, vol=1.540000e+07
    or (resid 63 and name HB1) (resid 63 and name HE1)
    or (resid 63 and name HB1) (resid 63 and name HE3)
assign (resid 52 and name HG22) (resid 63 and name HB1) 3.552 1.577 1.577 weight 1.000 ! spec=HCH, no=1684, id=4694, vol=6.380000e+06
    or (resid 52 and name HG21) (resid 63 and name HB1)
    or (resid 52 and name HG23) (resid 63 and name HB1)
assign (resid 63 and name HN) (resid 63 and name HB1) 3.369 1.419 1.419 weight 1.000 ! spec=HCH, no=1686, id=4696, vol=8.770000e+06
assign (resid 63 and name HB2) (resid 63 and name HA) 3.229 1.303 1.303 weight 1.000 ! spec=HCH, no=1687, id=4697, vol=1.130000e+07
assign (resid 63 and name HB1) (resid 63 and name HA) 3.180 1.264 1.264 weight 1.000 ! spec=HCH, no=1688, id=4698, vol=1.240000e+07
assign (resid 63 and name HB1) (resid 63 and name HB2) 2.453 0.752 0.752 weight 1.000 ! spec=HCH, no=1690, id=4700, vol=5.880000e+07
assign (resid 63 and name HB1) (resid 92 and name HA2) 3.346 1.399 1.399 weight 1.000 ! spec=HCH, no=1694, id=4703, vol=9.140000e+06
assign (resid 63 and name HB1) (resid 105 and name HD1) 3.681 1.694 1.694 weight 1.000 ! spec=HCH, no=1698, id=4707, vol=5.150000e+06
assign (resid 91 and name HN) (resid 63 and name HE2) 3.165 1.252 1.252 weight 1.000 ! spec=HCH, no=1699, id=4708, vol=1.280000e+07
    or (resid 91 and name HN) (resid 63 and name HE1)
    or (resid 91 and name HN) (resid 63 and name HE3)
assign (resid 63 and name HE2) (resid 90 and name HB2) 2.181 0.595 0.595 weight 1.000 ! spec=HCH, no=1710, id=4718, vol=1.190000e+08
    or (resid 63 and name HE1) (resid 90 and name HB2)
    or (resid 63 and name HE3) (resid 90 and name HB2)
assign (resid 63 and name HE2) (resid 49 and name HD12) 2.113 0.558 0.558 weight 1.000 ! spec=HCH, no=1715, id=4723, vol=1.440000e+08
    or (resid 63 and name HE2) (resid 49 and name HD11)
    or (resid 63 and name HE2) (resid 49 and name HD13)
    or (resid 63 and name HE1) (resid 49 and name HD12)
    or (resid 63 and name HE1) (resid 49 and name HD11)
    or (resid 63 and name HE1) (resid 49 and name HD13)
    or (resid 63 and name HE3) (resid 49 and name HD12)
    or (resid 63 and name HE3) (resid 49 and name HD11)
    or (resid 63 and name HE3) (resid 49 and name HD13)
assign (resid 63 and name HE2) (resid 63 and name HE1) 1.176 0.173 0.173 weight 1.000 ! spec=HCH, no=1721, id=4729, vol=4.850000e+09
    or (resid 63 and name HE2) (resid 63 and name HE3)
    or (resid 63 and name HE2) (resid 63 and name HE1)
    or (resid 63 and name HE1) (resid 63 and name HE3)
    or (resid 63 and name HE2) (resid 63 and name HE3)
    or (resid 63 and name HE1) (resid 63 and name HE3)
assign (resid 63 and name HE2) (resid 90 and name HD12) 2.257 0.637 0.637 weight 1.000 ! spec=HCH, no=1724, id=4732, vol=9.690000e+07
    or (resid 63 and name HE2) (resid 90 and name HD11)
    or (resid 63 and name HE2) (resid 90 and name HD13)
    or (resid 63 and name HE1) (resid 90 and name HD12)
    or (resid 63 and name HE1) (resid 90 and name HD11)
    or (resid 63 and name HE1) (resid 90 and name HD13)
    or (resid 63 and name HE3) (resid 90 and name HD12)
    or (resid 63 and name HE3) (resid 90 and name HD11)
    or (resid 63 and name HE3) (resid 90 and name HD13)
assign (resid 63 and name HE2) (resid 90 and name HD22) 2.157 0.582 0.582 weight 1.000 ! spec=HCH, no=1725, id=4733, vol=1.270000e+08
    or (resid 63 and name HE2) (resid 90 and name HD21)
    or (resid 63 and name HE2) (resid 90 and name HD23)
    or (resid 63 and name HE1) (resid 90 and name HD22)
    or (resid 63 and name HE1) (resid 90 and name HD21)
    or (resid 63 and name HE1) (resid 90 and name HD23)
    or (resid 63 and name HE3) (resid 90 and name HD22)
    or (resid 63 and name HE3) (resid 90 and name HD21)
    or (resid 63 and name HE3) (resid 90 and name HD23)
assign (resid 63 and name HE2) (resid 91 and name HA) 2.868 1.028 1.028 weight 1.000 ! spec=HCH, no=1726, id=4734, vol=2.310000e+07
    or (resid 63 and name HE1) (resid 91 and name HA)
    or (resid 63 and name HE3) (resid 91 and name HA)
assign (resid 63 and name HE2) (resid 92 and name HA2) 2.518 0.793 0.793 weight 1.000 ! spec=HCH, no=1727, id=4735, vol=5.030000e+07
    or (resid 63 and name HE1) (resid 92 and name HA2)
    or (resid 63 and name HE3) (resid 92 and name HA2)
assign (resid 63 and name HE2) (resid 92 and name HA1) 2.373 0.704 0.704 weight 1.000 ! spec=HCH, no=1728, id=4736, vol=7.190000e+07
    or (resid 63 and name HE1) (resid 92 and name HA1)
    or (resid 63 and name HE3) (resid 92 and name HA1)
assign (resid 63 and name HE2) (resid 105 and name HD1) 2.958 1.093 1.093 weight 1.000 ! spec=HCH, no=1729, id=4737, vol=1.920000e+07
    or (resid 63 and name HE1) (resid 105 and name HD1)
    or (resid 63 and name HE3) (resid 105 and name HD1)
assign (resid 63 and name HE2) (resid 63 and name HG2) 2.744 0.941 0.941 weight 1.000 ! spec=HCH, no=1730, id=4738, vol=3.000000e+07
    or (resid 63 and name HE1) (resid 63 and name HG2)
    or (resid 63 and name HE3) (resid 63 and name HG2)
assign (resid 56 and name HB1) (resid 63 and name HG1) 3.586 1.607 1.607 weight 1.000 ! spec=HCH, no=1735, id=4743, vol=6.030000e+06
assign (resid 63 and name HG1) (resid 63 and name HA) 3.742 1.750 1.750 weight 1.000 ! spec=HCH, no=1737, id=4745, vol=4.670000e+06
assign (resid 63 and name HG1) (resid 63 and name HB2) 3.480 1.514 1.514 weight 1.000 ! spec=HCH, no=1738, id=4746, vol=7.220000e+06
assign (resid 63 and name HG1) (resid 55 and name HN) 3.691 1.703 1.703 weight 1.000 ! spec=HCH, no=1741, id=4749, vol=5.070000e+06
assign (resid 63 and name HG1) (resid 63 and name HE2) 3.648 1.663 1.663 weight 1.000 ! spec=HCH, no=1743, id=4751, vol=5.440000e+06
    or (resid 63 and name HG1) (resid 63 and name HE1)
    or (resid 63 and name HG1) (resid 63 and name HE3)
assign (resid 63 and name HG1) (resid 53 and name HB2) 2.906 1.055 1.055 weight 1.000 ! spec=HCH, no=1745, id=4753, vol=2.130000e+07
assign (resid 63 and name HG1) (resid 62 and name HB1) 3.985 1.985 1.985 weight 1.000 ! spec=HCH, no=1746, id=4754, vol=3.200000e+06
assign (resid 63 and name HG2) (resid 63 and name HN) 3.031 1.148 1.148 weight 1.000 ! spec=HCH, no=1747, id=4755, vol=1.650000e+07
assign (resid 63 and name HG2) (resid 63 and name HB2) 2.826 0.999 0.999 weight 1.000 ! spec=HCH, no=1750, id=4758, vol=2.520000e+07
assign (resid 63 and name HG2) (resid 63 and name HG1) 2.575 0.829 0.829 weight 1.000 ! spec=HCH, no=1752, id=4759, vol=4.400000e+07
assign (resid 64 and name HN) (resid 63 and name HG2) 3.078 1.184 1.184 weight 1.000 ! spec=HCH, no=1754, id=4760, vol=1.510000e+07
assign (resid 63 and name HG2) (resid 64 and name HG22) 3.004 1.128 1.128 weight 1.000 ! spec=HCH, no=1756, id=4762, vol=1.740000e+07
    or (resid 63 and name HG2) (resid 64 and name HG21)
    or (resid 63 and name HG2) (resid 64 and name HG23)
assign (resid 63 and name HG2) (resid 92 and name HA1) 3.329 1.385 1.385 weight 1.000 ! spec=HCH, no=1757, id=4763, vol=9.420000e+06
assign (resid 63 and name HG1) (resid 92 and name HA1) 3.973 1.973 1.973 weight 1.000 ! spec=HCH, no=1758, id=4764, vol=3.260000e+06
assign (resid 63 and name HG1) (resid 151 and name HG21) 3.358 1.410 1.410 weight 1.000 ! spec=HCH, no=1759, id=4765, vol=8.940000e+06
    or (resid 63 and name HG1) (resid 151 and name HG22)
    or (resid 63 and name HG1) (resid 151 and name HG23)
assign (resid 64 and name HA) (resid 64 and name HG12) 2.963 1.097 1.097 weight 1.000 ! spec=HCH, no=1760, id=4766, vol=1.900000e+07
assign (resid 64 and name HA) (resid 154 and name HB2) 2.946 1.085 1.085 weight 1.000 ! spec=HCH, no=1761, id=4767, vol=1.960000e+07
assign (resid 64 and name HA) (resid 154 and name HG2) 3.392 1.439 1.439 weight 1.000 ! spec=HCH, no=1765, id=4771, vol=8.410000e+06
assign (resid 64 and name HA) (resid 64 and name HB) 2.394 0.716 0.716 weight 1.000 ! spec=HCH, no=1766, id=4772, vol=6.820000e+07
assign (resid 64 and name HB) (resid 152 and name HG) 2.953 1.090 1.090 weight 1.000 ! spec=HCH, no=1768, id=4774, vol=1.940000e+07
assign (resid 64 and name HB) (resid 152 and name HD22) 3.191 1.273 1.273 weight 1.000 ! spec=HCH, no=1769, id=4775, vol=1.210000e+07
    or (resid 64 and name HB) (resid 152 and name HD21)
    or (resid 64 and name HB) (resid 152 and name HD23)
assign (resid 64 and name HB) (resid 63 and name HA) 3.758 1.765 1.765 weight 1.000 ! spec=HCH, no=1771, id=4777, vol=4.550000e+06
assign (resid 64 and name HB) (resid 64 and name HG11) 2.849 1.014 1.014 weight 1.000 ! spec=HCH, no=1776, id=4781, vol=2.400000e+07
assign (resid 65 and name HN) (resid 64 and name HB) 3.319 1.377 1.377 weight 1.000 ! spec=HCH, no=1777, id=4782, vol=9.600000e+06
assign (resid 64 and name HD12) (resid 130 and name HA) 3.972 1.972 1.972 weight 1.000 ! spec=HCH, no=1780, id=4785, vol=3.260000e+06
    or (resid 64 and name HD11) (resid 130 and name HA)
    or (resid 64 and name HD13) (resid 130 and name HA)
assign (resid 64 and name HD12) (resid 152 and name HA) 3.855 1.858 1.858 weight 1.000 ! spec=HCH, no=1781, id=4786, vol=3.910000e+06
    or (resid 64 and name HD11) (resid 152 and name HA)
    or (resid 64 and name HD13) (resid 152 and name HA)
assign (resid 64 and name HD12) (resid 71 and name HB2) 3.885 1.887 1.887 weight 1.000 ! spec=HCH, no=1783, id=4788, vol=3.730000e+06
    or (resid 64 and name HD12) (resid 71 and name HB1)
    or (resid 64 and name HD11) (resid 71 and name HB2)
    or (resid 64 and name HD11) (resid 71 and name HB1)
    or (resid 64 and name HD13) (resid 71 and name HB2)
    or (resid 64 and name HD13) (resid 71 and name HB1)
assign (resid 64 and name HD12) (resid 74 and name HB1) 3.861 1.863 1.863 weight 1.000 ! spec=HCH, no=1784, id=4789, vol=3.870000e+06
    or (resid 64 and name HD11) (resid 74 and name HB1)
    or (resid 64 and name HD13) (resid 74 and name HB1)
assign (resid 64 and name HD12) (resid 64 and name HB) 2.181 0.595 0.595 weight 1.000 ! spec=HCH, no=1787, id=4792, vol=1.190000e+08
    or (resid 64 and name HD11) (resid 64 and name HB)
    or (resid 64 and name HD13) (resid 64 and name HB)
assign (resid 64 and name HD12) (resid 75 and name HG11) 2.481 0.769 0.769 weight 1.000 ! spec=HCH, no=1788, id=4793, vol=5.500000e+07
    or (resid 64 and name HD11) (resid 75 and name HG11)
    or (resid 64 and name HD13) (resid 75 and name HG11)
assign (resid 64 and name HD12) (resid 91 and name HD12) 2.538 0.805 0.805 weight 1.000 ! spec=HCH, no=1789, id=4794, vol=4.800000e+07
    or (resid 64 and name HD12) (resid 91 and name HD11)
    or (resid 64 and name HD12) (resid 91 and name HD13)
    or (resid 64 and name HD11) (resid 91 and name HD12)
    or (resid 64 and name HD11) (resid 91 and name HD11)
    or (resid 64 and name HD11) (resid 91 and name HD13)
    or (resid 64 and name HD13) (resid 91 and name HD12)
    or (resid 64 and name HD13) (resid 91 and name HD11)
    or (resid 64 and name HD13) (resid 91 and name HD13)
assign (resid 64 and name HD12) (resid 91 and name HA) 3.313 1.372 1.372 weight 1.000 ! spec=HCH, no=1799, id=4804, vol=9.690000e+06
    or (resid 64 and name HD11) (resid 91 and name HA)
    or (resid 64 and name HD13) (resid 91 and name HA)
assign (resid 64 and name HD12) (resid 75 and name HN) 3.739 1.747 1.747 weight 1.000 ! spec=HCH, no=1800, id=4805, vol=4.690000e+06
    or (resid 64 and name HD11) (resid 75 and name HN)
    or (resid 64 and name HD13) (resid 75 and name HN)
assign (resid 64 and name HD12) (resid 75 and name HD12) 2.075 0.538 0.538 weight 1.000 ! spec=HCH, no=1803, id=4808, vol=1.610000e+08
    or (resid 64 and name HD12) (resid 75 and name HD11)
    or (resid 64 and name HD12) (resid 75 and name HD13)
    or (resid 64 and name HD11) (resid 75 and name HD12)
    or (resid 64 and name HD11) (resid 75 and name HD11)
    or (resid 64 and name HD11) (resid 75 and name HD13)
    or (resid 64 and name HD13) (resid 75 and name HD12)
    or (resid 64 and name HD13) (resid 75 and name HD11)
    or (resid 64 and name HD13) (resid 75 and name HD13)
assign (resid 64 and name HD12) (resid 65 and name HA) 3.774 1.781 1.781 weight 1.000 ! spec=HCH, no=1804, id=4809, vol=4.440000e+06
    or (resid 64 and name HD11) (resid 65 and name HA)
    or (resid 64 and name HD13) (resid 65 and name HA)
assign (resid 64 and name HD12) (resid 75 and name HB) 3.374 1.423 1.423 weight 1.000 ! spec=HCH, no=1805, id=4810, vol=8.700000e+06
    or (resid 64 and name HD11) (resid 75 and name HB)
    or (resid 64 and name HD13) (resid 75 and name HB)
assign (resid 64 and name HD12) (resid 74 and name HD1) 3.839 1.842 1.842 weight 1.000 ! spec=HCH, no=1806, id=4811, vol=4.010000e+06
    or (resid 64 and name HD12) (resid 74 and name HD2)
    or (resid 64 and name HD11) (resid 74 and name HD1)
    or (resid 64 and name HD11) (resid 74 and name HD2)
    or (resid 64 and name HD13) (resid 74 and name HD1)
    or (resid 64 and name HD13) (resid 74 and name HD2)
assign (resid 64 and name HD12) (resid 64 and name HD11) 1.361 0.231 0.231 weight 1.000 ! spec=HCH, no=1810, id=4815, vol=2.020000e+09
    or (resid 64 and name HD12) (resid 64 and name HD13)
    or (resid 64 and name HD12) (resid 64 and name HD11)
    or (resid 64 and name HD11) (resid 64 and name HD13)
    or (resid 64 and name HD12) (resid 64 and name HD13)
    or (resid 64 and name HD11) (resid 64 and name HD13)
assign (resid 64 and name HD12) (resid 91 and name HD22) 3.582 1.604 1.604 weight 1.000 ! spec=HCH, no=1813, id=4818, vol=6.070000e+06
    or (resid 64 and name HD12) (resid 91 and name HD21)
    or (resid 64 and name HD12) (resid 91 and name HD23)
    or (resid 64 and name HD11) (resid 91 and name HD22)
    or (resid 64 and name HD11) (resid 91 and name HD21)
    or (resid 64 and name HD11) (resid 91 and name HD23)
    or (resid 64 and name HD13) (resid 91 and name HD22)
    or (resid 64 and name HD13) (resid 91 and name HD21)
    or (resid 64 and name HD13) (resid 91 and name HD23)
assign (resid 64 and name HG12) (resid 91 and name HD12) 3.236 1.309 1.309 weight 1.000 ! spec=HCH, no=1817, id=4821, vol=1.120000e+07
    or (resid 64 and name HG12) (resid 91 and name HD11)
    or (resid 64 and name HG12) (resid 91 and name HD13)
assign (resid 64 and name HG12) (resid 64 and name HN) 3.274 1.340 1.340 weight 1.000 ! spec=HCH, no=1822, id=4826, vol=1.040000e+07
assign (resid 64 and name HN) (resid 64 and name HG11) 3.204 1.284 1.284 weight 1.000 ! spec=HCH, no=1823, id=4827, vol=1.180000e+07
assign (resid 64 and name HB) (resid 64 and name HG12) 2.538 0.805 0.805 weight 1.000 ! spec=HCH, no=1825, id=4829, vol=4.800000e+07
assign (resid 64 and name HG12) (resid 65 and name HN) 3.443 1.482 1.482 weight 1.000 ! spec=HCH, no=1826, id=4830, vol=7.690000e+06
assign (resid 64 and name HG11) (resid 65 and name HN) 3.454 1.491 1.491 weight 1.000 ! spec=HCH, no=1827, id=4831, vol=7.550000e+06
assign (resid 64 and name HG22) (resid 152 and name HA) 3.416 1.459 1.459 weight 1.000 ! spec=HCH, no=1834, id=4838, vol=8.070000e+06
    or (resid 64 and name HG21) (resid 152 and name HA)
    or (resid 64 and name HG23) (resid 152 and name HA)
assign (resid 64 and name HG22) (resid 91 and name HA) 2.410 0.726 0.726 weight 1.000 ! spec=HCH, no=1837, id=4841, vol=6.550000e+07
    or (resid 64 and name HG21) (resid 91 and name HA)
    or (resid 64 and name HG23) (resid 91 and name HA)
assign (resid 64 and name HG22) (resid 151 and name HB) 3.511 1.541 1.541 weight 1.000 ! spec=HCH, no=1838, id=4842, vol=6.840000e+06
    or (resid 64 and name HG21) (resid 151 and name HB)
    or (resid 64 and name HG23) (resid 151 and name HB)
assign (resid 64 and name HG22) (resid 152 and name HN) 3.139 1.232 1.232 weight 1.000 ! spec=HCH, no=1846, id=4850, vol=1.340000e+07
    or (resid 64 and name HG21) (resid 152 and name HN)
    or (resid 64 and name HG23) (resid 152 and name HN)
assign (resid 64 and name HG22) (resid 153 and name HA) 3.182 1.266 1.266 weight 1.000 ! spec=HCH, no=1847, id=4851, vol=1.230000e+07
    or (resid 64 and name HG21) (resid 153 and name HA)
    or (resid 64 and name HG23) (resid 153 and name HA)
assign (resid 64 and name HG22) (resid 63 and name HA) 2.969 1.102 1.102 weight 1.000 ! spec=HCH, no=1855, id=4857, vol=1.870000e+07
    or (resid 64 and name HG21) (resid 63 and name HA)
    or (resid 64 and name HG23) (resid 63 and name HA)
assign (resid 63 and name HE2) (resid 64 and name HG22) 3.125 1.221 1.221 weight 1.000 ! spec=HCH, no=1857, id=4859, vol=1.380000e+07
    or (resid 63 and name HE2) (resid 64 and name HG21)
    or (resid 63 and name HE2) (resid 64 and name HG23)
    or (resid 63 and name HE1) (resid 64 and name HG22)
    or (resid 63 and name HE1) (resid 64 and name HG21)
    or (resid 63 and name HE1) (resid 64 and name HG23)
    or (resid 63 and name HE3) (resid 64 and name HG22)
    or (resid 63 and name HE3) (resid 64 and name HG21)
    or (resid 63 and name HE3) (resid 64 and name HG23)
assign (resid 64 and name HN) (resid 64 and name HG22) 2.211 0.611 0.611 weight 1.000 ! spec=HCH, no=1858, id=4860, vol=1.100000e+08
    or (resid 64 and name HN) (resid 64 and name HG21)
    or (resid 64 and name HN) (resid 64 and name HG23)
assign (resid 64 and name HG22) (resid 64 and name HA) 2.629 0.864 0.864 weight 1.000 ! spec=HCH, no=1859, id=4861, vol=3.880000e+07
    or (resid 64 and name HG21) (resid 64 and name HA)
    or (resid 64 and name HG23) (resid 64 and name HA)
assign (resid 64 and name HG22) (resid 64 and name HG12) 2.229 0.621 0.621 weight 1.000 ! spec=HCH, no=1860, id=4862, vol=1.050000e+08
    or (resid 64 and name HG21) (resid 64 and name HG12)
    or (resid 64 and name HG23) (resid 64 and name HG12)
assign (resid 64 and name HG22) (resid 64 and name HG21) 1.363 0.232 0.232 weight 1.000 ! spec=HCH, no=1862, id=4864, vol=2.000000e+09
    or (resid 64 and name HG22) (resid 64 and name HG23)
    or (resid 64 and name HG22) (resid 64 and name HG21)
    or (resid 64 and name HG21) (resid 64 and name HG23)
    or (resid 64 and name HG22) (resid 64 and name HG23)
    or (resid 64 and name HG21) (resid 64 and name HG23)
assign (resid 64 and name HG22) (resid 65 and name HN) 3.061 1.172 1.172 weight 1.000 ! spec=HCH, no=1863, id=4865, vol=1.560000e+07
    or (resid 64 and name HG21) (resid 65 and name HN)
    or (resid 64 and name HG23) (resid 65 and name HN)
assign (resid 64 and name HG22) (resid 65 and name HA) 3.492 1.524 1.524 weight 1.000 ! spec=HCH, no=1864, id=4866, vol=7.070000e+06
    or (resid 64 and name HG21) (resid 65 and name HA)
    or (resid 64 and name HG23) (resid 65 and name HA)
assign (resid 64 and name HG22) (resid 92 and name HA1) 3.456 1.493 1.493 weight 1.000 ! spec=HCH, no=1865, id=4867, vol=7.520000e+06
    or (resid 64 and name HG21) (resid 92 and name HA1)
    or (resid 64 and name HG23) (resid 92 and name HA1)
assign (resid 65 and name HA) (resid 91 and name HA) 3.703 1.714 1.714 weight 1.000 ! spec=HCH, no=1866, id=4868, vol=4.970000e+06
assign (resid 65 and name HA) (resid 104 and name HA) 3.786 1.792 1.792 weight 1.000 ! spec=HCH, no=1869, id=4871, vol=4.360000e+06
assign (resid 65 and name HA) (resid 64 and name HG12) 3.174 1.259 1.259 weight 1.000 ! spec=HCH, no=1871, id=4872, vol=1.250000e+07
assign (resid 65 and name HA) (resid 67 and name HD2) 3.891 1.892 1.892 weight 1.000 ! spec=HCH, no=1874, id=4875, vol=3.700000e+06
assign (resid 65 and name HA) (resid 104 and name HZ3) 3.213 1.291 1.291 weight 1.000 ! spec=HCH, no=1876, id=4877, vol=1.170000e+07
assign (resid 65 and name HN) (resid 65 and name HA) 3.197 1.278 1.278 weight 1.000 ! spec=HCH, no=1877, id=4878, vol=1.200000e+07
assign (resid 65 and name HA) (resid 65 and name HB2) 3.051 1.164 1.164 weight 1.000 ! spec=HCH, no=1878, id=4879, vol=1.590000e+07
assign (resid 65 and name HA) (resid 65 and name HB1) 2.745 0.942 0.942 weight 1.000 ! spec=HCH, no=1879, id=4880, vol=3.000000e+07
assign (resid 65 and name HA) (resid 66 and name HG12) 3.664 1.678 1.678 weight 1.000 ! spec=HCH, no=1881, id=4882, vol=5.300000e+06
assign (resid 65 and name HA) (resid 66 and name HD12) 3.613 1.631 1.631 weight 1.000 ! spec=HCH, no=1882, id=4883, vol=5.770000e+06
    or (resid 65 and name HA) (resid 66 and name HD11)
    or (resid 65 and name HA) (resid 66 and name HD13)
assign (resid 65 and name HB2) (resid 104 and name HB1) 3.776 1.782 1.782 weight 1.000 ! spec=HCH, no=1887, id=4888, vol=4.420000e+06
assign (resid 65 and name HB1) (resid 104 and name HE3) 3.977 1.977 1.977 weight 1.000 ! spec=HCH, no=1889, id=4890, vol=3.240000e+06
assign (resid 65 and name HB1) (resid 104 and name HB1) 3.777 1.783 1.783 weight 1.000 ! spec=HCH, no=1890, id=4891, vol=4.420000e+06
assign (resid 65 and name HB1) (resid 65 and name HN) 3.706 1.716 1.716 weight 1.000 ! spec=HCH, no=1892, id=4893, vol=4.950000e+06
assign (resid 65 and name HB1) (resid 65 and name HB2) 2.712 0.920 0.920 weight 1.000 ! spec=HCH, no=1896, id=4897, vol=3.220000e+07
assign (resid 65 and name HB1) (resid 66 and name HN) 3.260 1.328 1.328 weight 1.000 ! spec=HCH, no=1899, id=4899, vol=1.070000e+07
assign (resid 65 and name HB1) (resid 67 and name HD2) 4.024 2.024 2.024 weight 1.000 ! spec=HCH, no=1901, id=4901, vol=3.020000e+06
assign (resid 66 and name HA) (resid 66 and name HB) 3.106 1.206 1.206 weight 1.000 ! spec=HCH, no=1903, id=4903, vol=1.430000e+07
assign (resid 66 and name HA) (resid 66 and name HG12) 2.986 1.114 1.114 weight 1.000 ! spec=HCH, no=1905, id=4905, vol=1.810000e+07
assign (resid 66 and name HA) (resid 154 and name HD2) 3.387 1.434 1.434 weight 1.000 ! spec=HCH, no=1906, id=4906, vol=8.490000e+06
    or (resid 66 and name HA) (resid 154 and name HD1)
assign (resid 66 and name HA) (resid 71 and name HB2) 3.362 1.413 1.413 weight 1.000 ! spec=HCH, no=1908, id=4908, vol=8.880000e+06
    or (resid 66 and name HA) (resid 71 and name HB1)
assign (resid 66 and name HA) (resid 66 and name HG11) 3.015 1.136 1.136 weight 1.000 ! spec=HCH, no=1911, id=4911, vol=1.710000e+07
assign (resid 66 and name HA) (resid 66 and name HG22) 2.738 0.937 0.937 weight 1.000 ! spec=HCH, no=1913, id=4913, vol=3.040000e+07
    or (resid 66 and name HA) (resid 66 and name HG21)
    or (resid 66 and name HA) (resid 66 and name HG23)
assign (resid 66 and name HB) (resid 66 and name HG12) 2.912 1.060 1.060 weight 1.000 ! spec=HCH, no=1917, id=4917, vol=2.100000e+07
assign (resid 66 and name HB) (resid 66 and name HG11) 3.012 1.134 1.134 weight 1.000 ! spec=HCH, no=1922, id=4921, vol=1.720000e+07
assign (resid 66 and name HB) (resid 104 and name HH2) 3.497 1.528 1.528 weight 1.000 ! spec=HCH, no=1925, id=4924, vol=7.010000e+06
assign (resid 66 and name HD12) (resid 66 and name HG11) 2.010 0.505 0.505 weight 1.000 ! spec=HCH, no=1939, id=4938, vol=1.940000e+08
    or (resid 66 and name HD11) (resid 66 and name HG11)
    or (resid 66 and name HD13) (resid 66 and name HG11)
assign (resid 66 and name HD12) (resid 104 and name HZ2) 3.316 1.374 1.374 weight 1.000 ! spec=HCH, no=1940, id=4939, vol=9.650000e+06
    or (resid 66 and name HD11) (resid 104 and name HZ2)
    or (resid 66 and name HD13) (resid 104 and name HZ2)
assign (resid 66 and name HD12) (resid 65 and name HN) 4.045 2.045 2.045 weight 1.000 ! spec=HCH, no=1944, id=4943, vol=2.930000e+06
    or (resid 66 and name HD11) (resid 65 and name HN)
    or (resid 66 and name HD13) (resid 65 and name HN)
assign (resid 66 and name HA) (resid 66 and name HD12) 2.897 1.049 1.049 weight 1.000 ! spec=HCH, no=1947, id=4946, vol=2.170000e+07
    or (resid 66 and name HA) (resid 66 and name HD11)
    or (resid 66 and name HA) (resid 66 and name HD13)
assign (resid 66 and name HB) (resid 66 and name HD12) 2.417 0.730 0.730 weight 1.000 ! spec=HCH, no=1948, id=4947, vol=6.440000e+07
    or (resid 66 and name HB) (resid 66 and name HD11)
    or (resid 66 and name HB) (resid 66 and name HD13)
assign (resid 66 and name HD12) (resid 66 and name HG12) 1.937 0.469 0.469 weight 1.000 ! spec=HCH, no=1949, id=4948, vol=2.430000e+08
    or (resid 66 and name HD11) (resid 66 and name HG12)
    or (resid 66 and name HD13) (resid 66 and name HG12)
assign (resid 66 and name HD12) (resid 66 and name HD11) 1.413 0.249 0.249 weight 1.000 ! spec=HCH, no=1950, id=4949, vol=1.610000e+09
    or (resid 66 and name HD12) (resid 66 and name HD13)
    or (resid 66 and name HD12) (resid 66 and name HD11)
    or (resid 66 and name HD11) (resid 66 and name HD13)
    or (resid 66 and name HD12) (resid 66 and name HD13)
    or (resid 66 and name HD11) (resid 66 and name HD13)
assign (resid 66 and name HD12) (resid 66 and name HG22) 2.109 0.556 0.556 weight 1.000 ! spec=HCH, no=1951, id=4950, vol=1.460000e+08
    or (resid 66 and name HD12) (resid 66 and name HG21)
    or (resid 66 and name HD12) (resid 66 and name HG23)
    or (resid 66 and name HD11) (resid 66 and name HG22)
    or (resid 66 and name HD11) (resid 66 and name HG21)
    or (resid 66 and name HD11) (resid 66 and name HG23)
    or (resid 66 and name HD13) (resid 66 and name HG22)
    or (resid 66 and name HD13) (resid 66 and name HG21)
    or (resid 66 and name HD13) (resid 66 and name HG23)
assign (resid 66 and name HD12) (resid 71 and name HG1) 3.297 1.359 1.359 weight 1.000 ! spec=HCH, no=1953, id=4952, vol=9.980000e+06
    or (resid 66 and name HD11) (resid 71 and name HG1)
    or (resid 66 and name HD13) (resid 71 and name HG1)
assign (resid 66 and name HD12) (resid 72 and name HA) 2.677 0.895 0.895 weight 1.000 ! spec=HCH, no=1954, id=4953, vol=3.490000e+07
    or (resid 66 and name HD11) (resid 72 and name HA)
    or (resid 66 and name HD13) (resid 72 and name HA)
assign (resid 66 and name HD12) (resid 72 and name HB2) 3.297 1.359 1.359 weight 1.000 ! spec=HCH, no=1955, id=4954, vol=9.980000e+06
    or (resid 66 and name HD11) (resid 72 and name HB2)
    or (resid 66 and name HD13) (resid 72 and name HB2)
assign (resid 66 and name HD12) (resid 72 and name HB1) 3.931 1.932 1.932 weight 1.000 ! spec=HCH, no=1956, id=4955, vol=3.470000e+06
    or (resid 66 and name HD11) (resid 72 and name HB1)
    or (resid 66 and name HD13) (resid 72 and name HB1)
assign (resid 66 and name HD12) (resid 72 and name HD22) 3.486 1.519 1.519 weight 1.000 ! spec=HCH, no=1957, id=4956, vol=7.150000e+06
    or (resid 66 and name HD11) (resid 72 and name HD22)
    or (resid 66 and name HD13) (resid 72 and name HD22)
assign (resid 66 and name HD12) (resid 75 and name HA) 4.103 2.105 2.105 weight 1.000 ! spec=HCH, no=1958, id=4957, vol=2.690000e+06
    or (resid 66 and name HD11) (resid 75 and name HA)
    or (resid 66 and name HD13) (resid 75 and name HA)
assign (resid 66 and name HD12) (resid 76 and name HN) 4.028 2.028 2.028 weight 1.000 ! spec=HCH, no=1959, id=4958, vol=3.000000e+06
    or (resid 66 and name HD11) (resid 76 and name HN)
    or (resid 66 and name HD13) (resid 76 and name HN)
assign (resid 66 and name HD12) (resid 92 and name HN) 3.760 1.767 1.767 weight 1.000 ! spec=HCH, no=1963, id=4962, vol=4.540000e+06
    or (resid 66 and name HD11) (resid 92 and name HN)
    or (resid 66 and name HD13) (resid 92 and name HN)
assign (resid 66 and name HD12) (resid 104 and name HH2) 3.374 1.423 1.423 weight 1.000 ! spec=HCH, no=1964, id=4963, vol=8.690000e+06
    or (resid 66 and name HD11) (resid 104 and name HH2)
    or (resid 66 and name HD13) (resid 104 and name HH2)
assign (resid 66 and name HD12) (resid 138 and name HD1) 3.446 1.484 1.484 weight 1.000 ! spec=HCH, no=1966, id=4965, vol=7.660000e+06
    or (resid 66 and name HD11) (resid 138 and name HD1)
    or (resid 66 and name HD13) (resid 138 and name HD1)
assign (resid 66 and name HD12) (resid 138 and name HE1) 2.821 0.995 0.995 weight 1.000 ! spec=HCH, no=1967, id=4966, vol=2.540000e+07
    or (resid 66 and name HD11) (resid 138 and name HE1)
    or (resid 66 and name HD13) (resid 138 and name HE1)
assign (resid 66 and name HD12) (resid 138 and name HE3) 4.064 2.064 2.064 weight 1.000 ! spec=HCH, no=1968, id=4967, vol=2.850000e+06
    or (resid 66 and name HD11) (resid 138 and name HE3)
    or (resid 66 and name HD13) (resid 138 and name HE3)
assign (resid 66 and name HD12) (resid 138 and name HH2) 3.481 1.515 1.515 weight 1.000 ! spec=HCH, no=1969, id=4968, vol=7.210000e+06
    or (resid 66 and name HD11) (resid 138 and name HH2)
    or (resid 66 and name HD13) (resid 138 and name HH2)
assign (resid 66 and name HD12) (resid 138 and name HZ3) 3.745 1.753 1.753 weight 1.000 ! spec=HCH, no=1971, id=4970, vol=4.650000e+06
    or (resid 66 and name HD11) (resid 138 and name HZ3)
    or (resid 66 and name HD13) (resid 138 and name HZ3)
assign (resid 66 and name HG11) (resid 104 and name HZ3) 4.113 2.115 2.115 weight 1.000 ! spec=HCH, no=1980, id=4979, vol=2.650000e+06
assign (resid 66 and name HG11) (resid 66 and name HG12) 2.305 0.664 0.664 weight 1.000 ! spec=HCH, no=1989, id=4988, vol=8.540000e+07
assign (resid 66 and name HG11) (resid 66 and name HG22) 2.614 0.854 0.854 weight 1.000 ! spec=HCH, no=1995, id=4993, vol=4.020000e+07
    or (resid 66 and name HG11) (resid 66 and name HG21)
    or (resid 66 and name HG11) (resid 66 and name HG23)
assign (resid 66 and name HG12) (resid 91 and name HD12) 3.670 1.683 1.683 weight 1.000 ! spec=HCH, no=1996, id=4994, vol=5.250000e+06
    or (resid 66 and name HG12) (resid 91 and name HD11)
    or (resid 66 and name HG12) (resid 91 and name HD13)
assign (resid 66 and name HG11) (resid 91 and name HD12) 3.208 1.286 1.286 weight 1.000 ! spec=HCH, no=1997, id=4995, vol=1.180000e+07
    or (resid 66 and name HG11) (resid 91 and name HD11)
    or (resid 66 and name HG11) (resid 91 and name HD13)
assign (resid 66 and name HG22) (resid 67 and name HN) 2.727 0.930 0.930 weight 1.000 ! spec=HCH, no=2002, id=4999, vol=3.120000e+07
    or (resid 66 and name HG21) (resid 67 and name HN)
    or (resid 66 and name HG23) (resid 67 and name HN)
assign (resid 66 and name HG22) (resid 69 and name HA) 3.294 1.357 1.357 weight 1.000 ! spec=HCH, no=2005, id=5001, vol=1.000000e+07
    or (resid 66 and name HG21) (resid 69 and name HA)
    or (resid 66 and name HG23) (resid 69 and name HA)
assign (resid 66 and name HG22) (resid 67 and name HB2) 3.361 1.412 1.412 weight 1.000 ! spec=HCH, no=2010, id=5005, vol=8.900000e+06
    or (resid 66 and name HG21) (resid 67 and name HB2)
    or (resid 66 and name HG23) (resid 67 and name HB2)
assign (resid 66 and name HG22) (resid 69 and name HN) 3.174 1.259 1.259 weight 1.000 ! spec=HCH, no=2013, id=5008, vol=1.260000e+07
    or (resid 66 and name HG21) (resid 69 and name HN)
    or (resid 66 and name HG23) (resid 69 and name HN)
assign (resid 66 and name HG22) (resid 113 and name HA) 3.113 1.212 1.212 weight 1.000 ! spec=HCH, no=2018, id=5013, vol=1.410000e+07
    or (resid 66 and name HG21) (resid 113 and name HA)
    or (resid 66 and name HG23) (resid 113 and name HA)
assign (resid 66 and name HG22) (resid 68 and name HA) 3.394 1.440 1.440 weight 1.000 ! spec=HCH, no=2019, id=5014, vol=8.390000e+06
    or (resid 66 and name HG21) (resid 68 and name HA)
    or (resid 66 and name HG23) (resid 68 and name HA)
assign (resid 66 and name HG12) (resid 66 and name HG22) 2.343 0.686 0.686 weight 1.000 ! spec=HCH, no=2020, id=5015, vol=7.740000e+07
    or (resid 66 and name HG12) (resid 66 and name HG21)
    or (resid 66 and name HG12) (resid 66 and name HG23)
assign (resid 72 and name HN) (resid 66 and name HG22) 2.603 0.847 0.847 weight 1.000 ! spec=HCH, no=2021, id=5016, vol=4.130000e+07
    or (resid 72 and name HN) (resid 66 and name HG21)
    or (resid 72 and name HN) (resid 66 and name HG23)
assign (resid 66 and name HB) (resid 66 and name HG22) 2.271 0.645 0.645 weight 1.000 ! spec=HCH, no=2025, id=5020, vol=9.350000e+07
    or (resid 66 and name HB) (resid 66 and name HG21)
    or (resid 66 and name HB) (resid 66 and name HG23)
assign (resid 66 and name HG22) (resid 66 and name HG21) 1.262 0.199 0.199 weight 1.000 ! spec=HCH, no=2026, id=5021, vol=3.180000e+09
    or (resid 66 and name HG22) (resid 66 and name HG23)
    or (resid 66 and name HG22) (resid 66 and name HG21)
    or (resid 66 and name HG21) (resid 66 and name HG23)
    or (resid 66 and name HG22) (resid 66 and name HG23)
    or (resid 66 and name HG21) (resid 66 and name HG23)
assign (resid 66 and name HG22) (resid 71 and name HG1) 2.416 0.730 0.730 weight 1.000 ! spec=HCH, no=2027, id=5022, vol=6.440000e+07
    or (resid 66 and name HG21) (resid 71 and name HG1)
    or (resid 66 and name HG23) (resid 71 and name HG1)
assign (resid 66 and name HG22) (resid 71 and name HB2) 2.349 0.689 0.689 weight 1.000 ! spec=HCH, no=2028, id=5023, vol=7.640000e+07
    or (resid 66 and name HG21) (resid 71 and name HB2)
    or (resid 66 and name HG23) (resid 71 and name HB2)
assign (resid 66 and name HG22) (resid 72 and name HA) 2.477 0.767 0.767 weight 1.000 ! spec=HCH, no=2029, id=5024, vol=5.550000e+07
    or (resid 66 and name HG21) (resid 72 and name HA)
    or (resid 66 and name HG23) (resid 72 and name HA)
assign (resid 66 and name HG22) (resid 72 and name HB2) 2.416 0.730 0.730 weight 1.000 ! spec=HCH, no=2030, id=5025, vol=6.440000e+07
    or (resid 66 and name HG21) (resid 72 and name HB2)
    or (resid 66 and name HG23) (resid 72 and name HB2)
assign (resid 66 and name HG22) (resid 72 and name HB1) 2.794 0.976 0.976 weight 1.000 ! spec=HCH, no=2031, id=5026, vol=2.700000e+07
    or (resid 66 and name HG21) (resid 72 and name HB1)
    or (resid 66 and name HG23) (resid 72 and name HB1)
assign (resid 66 and name HG22) (resid 91 and name HD22) 3.624 1.641 1.641 weight 1.000 ! spec=HCH, no=2033, id=5028, vol=5.660000e+06
    or (resid 66 and name HG22) (resid 91 and name HD21)
    or (resid 66 and name HG22) (resid 91 and name HD23)
    or (resid 66 and name HG21) (resid 91 and name HD22)
    or (resid 66 and name HG21) (resid 91 and name HD21)
    or (resid 66 and name HG21) (resid 91 and name HD23)
    or (resid 66 and name HG23) (resid 91 and name HD22)
    or (resid 66 and name HG23) (resid 91 and name HD21)
    or (resid 66 and name HG23) (resid 91 and name HD23)
assign (resid 66 and name HG22) (resid 112 and name HD1) 2.158 0.582 0.582 weight 1.000 ! spec=HCH, no=2035, id=5030, vol=1.270000e+08
    or (resid 66 and name HG21) (resid 112 and name HD1)
    or (resid 66 and name HG23) (resid 112 and name HD1)
assign (resid 66 and name HG22) (resid 112 and name HE1) 2.734 0.935 0.935 weight 1.000 ! spec=HCH, no=2036, id=5031, vol=3.070000e+07
    or (resid 66 and name HG21) (resid 112 and name HE1)
    or (resid 66 and name HG23) (resid 112 and name HE1)
assign (resid 66 and name HG22) (resid 114 and name HB2) 3.726 1.736 1.736 weight 1.000 ! spec=HCH, no=2037, id=5032, vol=4.790000e+06
    or (resid 66 and name HG21) (resid 114 and name HB2)
    or (resid 66 and name HG23) (resid 114 and name HB2)
assign (resid 66 and name HG22) (resid 138 and name HH2) 2.902 1.053 1.053 weight 1.000 ! spec=HCH, no=2038, id=5033, vol=2.150000e+07
    or (resid 66 and name HG21) (resid 138 and name HH2)
    or (resid 66 and name HG23) (resid 138 and name HH2)
assign (resid 66 and name HG22) (resid 138 and name HZ2) 2.384 0.711 0.711 weight 1.000 ! spec=HCH, no=2039, id=5034, vol=6.980000e+07
    or (resid 66 and name HG21) (resid 138 and name HZ2)
    or (resid 66 and name HG23) (resid 138 and name HZ2)
assign (resid 66 and name HG22) (resid 138 and name HZ3) 3.520 1.549 1.549 weight 1.000 ! spec=HCH, no=2040, id=5035, vol=6.740000e+06
    or (resid 66 and name HG21) (resid 138 and name HZ3)
    or (resid 66 and name HG23) (resid 138 and name HZ3)
assign (resid 68 and name HN) (resid 67 and name HA) 2.886 1.041 1.041 weight 1.000 ! spec=HCH, no=2045, id=5040, vol=2.220000e+07
assign (resid 67 and name HA) (resid 112 and name HB2) 2.941 1.081 1.081 weight 1.000 ! spec=HCH, no=2046, id=5041, vol=1.980000e+07
assign (resid 67 and name HA) (resid 67 and name HB2) 2.968 1.101 1.101 weight 1.000 ! spec=HCH, no=2048, id=5043, vol=1.880000e+07
assign (resid 67 and name HA) (resid 67 and name HB1) 2.864 1.025 1.025 weight 1.000 ! spec=HCH, no=2049, id=5044, vol=2.330000e+07
assign (resid 67 and name HB2) (resid 66 and name HA) 3.904 1.905 1.905 weight 1.000 ! spec=HCH, no=2056, id=5051, vol=3.620000e+06
assign (resid 67 and name HB2) (resid 67 and name HN) 3.161 1.249 1.249 weight 1.000 ! spec=HCH, no=2057, id=5052, vol=1.290000e+07
assign (resid 67 and name HB1) (resid 67 and name HB2) 2.453 0.752 0.752 weight 1.000 ! spec=HCH, no=2062, id=5056, vol=5.880000e+07
assign (resid 68 and name HD21) (resid 68 and name HA) 3.392 1.438 1.438 weight 1.000 ! spec=HCH, no=2069, id=5063, vol=8.420000e+06
assign (resid 68 and name HA) (resid 69 and name HG1) 3.894 1.895 1.895 weight 1.000 ! spec=HCH, no=2070, id=5064, vol=3.680000e+06
assign (resid 68 and name HA) (resid 68 and name HB2) 2.456 0.754 0.754 weight 1.000 ! spec=HCH, no=2072, id=5065, vol=5.840000e+07
assign (resid 68 and name HA) (resid 68 and name HB1) 2.472 0.764 0.764 weight 1.000 ! spec=HCH, no=2073, id=5066, vol=5.620000e+07
assign (resid 68 and name HA) (resid 69 and name HB1) 3.401 1.446 1.446 weight 1.000 ! spec=HCH, no=2076, id=5069, vol=8.290000e+06
assign (resid 68 and name HA) (resid 112 and name HB2) 3.570 1.593 1.593 weight 1.000 ! spec=HCH, no=2077, id=5070, vol=6.200000e+06
assign (resid 68 and name HA) (resid 112 and name HD1) 2.580 0.832 0.832 weight 1.000 ! spec=HCH, no=2078, id=5071, vol=4.340000e+07
assign (resid 68 and name HB2) (resid 71 and name HB2) 3.460 1.497 1.497 weight 1.000 ! spec=HCH, no=2083, id=5075, vol=7.470000e+06
    or (resid 68 and name HB2) (resid 71 and name HB1)
assign (resid 68 and name HB1) (resid 68 and name HB2) 2.369 0.702 0.702 weight 1.000 ! spec=HCH, no=2087, id=5079, vol=7.250000e+07
assign (resid 68 and name HD22) (resid 68 and name HB1) 2.920 1.066 1.066 weight 1.000 ! spec=HCH, no=2092, id=5084, vol=2.070000e+07
assign (resid 68 and name HB1) (resid 69 and name HN) 2.846 1.012 1.012 weight 1.000 ! spec=HCH, no=2094, id=5086, vol=2.420000e+07
assign (resid 68 and name HB1) (resid 69 and name HB1) 3.872 1.874 1.874 weight 1.000 ! spec=HCH, no=2095, id=5087, vol=3.810000e+06
assign (resid 69 and name HA) (resid 72 and name HB1) 2.851 1.016 1.016 weight 1.000 ! spec=HCH, no=2097, id=5089, vol=2.390000e+07
assign (resid 69 and name HA) (resid 73 and name HB2) 2.987 1.115 1.115 weight 1.000 ! spec=HCH, no=2099, id=5091, vol=1.810000e+07
    or (resid 69 and name HA) (resid 73 and name HB1)
    or (resid 69 and name HA) (resid 73 and name HB3)
assign (resid 69 and name HA) (resid 69 and name HG2) 2.795 0.977 0.977 weight 1.000 ! spec=HCH, no=2100, id=5092, vol=2.690000e+07
assign (resid 69 and name HA) (resid 72 and name HB2) 2.671 0.892 0.892 weight 1.000 ! spec=HCH, no=2102, id=5094, vol=3.530000e+07
assign (resid 69 and name HN) (resid 69 and name HA) 2.636 0.868 0.868 weight 1.000 ! spec=HCH, no=2103, id=5095, vol=3.820000e+07
assign (resid 69 and name HA) (resid 69 and name HB2) 2.638 0.870 0.870 weight 1.000 ! spec=HCH, no=2105, id=5096, vol=3.800000e+07
assign (resid 69 and name HA) (resid 69 and name HB1) 2.586 0.836 0.836 weight 1.000 ! spec=HCH, no=2106, id=5097, vol=4.290000e+07
assign (resid 72 and name HD22) (resid 69 and name HA) 3.617 1.636 1.636 weight 1.000 ! spec=HCH, no=2108, id=5099, vol=5.720000e+06
assign (resid 69 and name HA) (resid 112 and name HD1) 2.938 1.079 1.079 weight 1.000 ! spec=HCH, no=2109, id=5100, vol=1.990000e+07
assign (resid 69 and name HA) (resid 112 and name HE1) 2.648 0.877 0.877 weight 1.000 ! spec=HCH, no=2110, id=5101, vol=3.720000e+07
assign (resid 68 and name HA) (resid 69 and name HB2) 3.959 1.959 1.959 weight 1.000 ! spec=HCH, no=2114, id=5105, vol=3.330000e+06
assign (resid 69 and name HB1) (resid 73 and name HB2) 3.624 1.642 1.642 weight 1.000 ! spec=HCH, no=2118, id=5109, vol=5.660000e+06
    or (resid 69 and name HB1) (resid 73 and name HB1)
    or (resid 69 and name HB1) (resid 73 and name HB3)
assign (resid 69 and name HN) (resid 69 and name HB2) 2.578 0.831 0.831 weight 1.000 ! spec=HCH, no=2119, id=5110, vol=4.370000e+07
assign (resid 69 and name HB1) (resid 69 and name HN) 2.654 0.881 0.881 weight 1.000 ! spec=HCH, no=2120, id=5111, vol=3.670000e+07
assign (resid 69 and name HB1) (resid 69 and name HB2) 2.129 0.567 0.567 weight 1.000 ! spec=HCH, no=2123, id=5114, vol=1.380000e+08
assign (resid 69 and name HB2) (resid 69 and name HG1) 2.602 0.847 0.847 weight 1.000 ! spec=HCH, no=2126, id=5117, vol=4.130000e+07
assign (resid 69 and name HB1) (resid 69 and name HG1) 2.394 0.716 0.716 weight 1.000 ! spec=HCH, no=2127, id=5118, vol=6.810000e+07
assign (resid 69 and name HG2) (resid 73 and name HB2) 3.596 1.616 1.616 weight 1.000 ! spec=HCH, no=2130, id=5121, vol=5.930000e+06
    or (resid 69 and name HG2) (resid 73 and name HB1)
    or (resid 69 and name HG2) (resid 73 and name HB3)
assign (resid 69 and name HG1) (resid 69 and name HN) 3.166 1.253 1.253 weight 1.000 ! spec=HCH, no=2139, id=5130, vol=1.270000e+07
assign (resid 69 and name HG1) (resid 72 and name HN) 3.920 1.920 1.920 weight 1.000 ! spec=HCH, no=2140, id=5131, vol=3.540000e+06
assign (resid 69 and name HG2) (resid 69 and name HN) 3.148 1.239 1.239 weight 1.000 ! spec=HCH, no=2142, id=5133, vol=1.320000e+07
assign (resid 69 and name HA) (resid 69 and name HG1) 3.281 1.345 1.345 weight 1.000 ! spec=HCH, no=2144, id=5135, vol=1.030000e+07
assign (resid 69 and name HG2) (resid 69 and name HB2) 2.525 0.797 0.797 weight 1.000 ! spec=HCH, no=2145, id=5136, vol=4.940000e+07
assign (resid 69 and name HG1) (resid 69 and name HG2) 1.854 0.430 0.430 weight 1.000 ! spec=HCH, no=2148, id=5139, vol=3.150000e+08
assign (resid 69 and name HB2) (resid 70 and name HA) 3.189 1.271 1.271 weight 1.000 ! spec=HCH, no=2150, id=5140, vol=1.220000e+07
assign (resid 70 and name HA) (resid 70 and name HB2) 2.481 0.769 0.769 weight 1.000 ! spec=HCH, no=2155, id=5145, vol=5.500000e+07
assign (resid 70 and name HB2) (resid 73 and name HB2) 3.798 1.803 1.803 weight 1.000 ! spec=HCH, no=2158, id=5148, vol=4.270000e+06
    or (resid 70 and name HB2) (resid 73 and name HB1)
    or (resid 70 and name HB2) (resid 73 and name HB3)
assign (resid 70 and name HB2) (resid 70 and name HB1) 1.957 0.479 0.479 weight 1.000 ! spec=HCH, no=2159, id=5149, vol=2.280000e+08
assign (resid 33 and name HE21) (resid 70 and name HB2) 2.932 1.075 1.075 weight 1.000 ! spec=HCH, no=2163, id=5153, vol=2.020000e+07
assign (resid 70 and name HB2) (resid 68 and name HB1) 4.207 2.212 2.212 weight 1.000 ! spec=HCH, no=2167, id=5157, vol=2.310000e+06
assign (resid 70 and name HB1) (resid 68 and name HB1) 4.410 2.431 2.431 weight 1.000 ! spec=HCH, no=2171, id=5161, vol=1.740000e+06
assign (resid 70 and name HB1) (resid 70 and name HG1) 2.395 0.717 0.717 weight 1.000 ! spec=HCH, no=2175, id=5165, vol=6.800000e+07
assign (resid 70 and name HN) (resid 70 and name HB2) 2.752 0.947 0.947 weight 1.000 ! spec=HCH, no=2177, id=5166, vol=2.950000e+07
assign (resid 70 and name HB1) (resid 70 and name HA) 2.801 0.980 0.980 weight 1.000 ! spec=HCH, no=2180, id=5169, vol=2.660000e+07
assign (resid 70 and name HB2) (resid 71 and name HN) 3.203 1.283 1.283 weight 1.000 ! spec=HCH, no=2181, id=5170, vol=1.190000e+07
assign (resid 70 and name HG2) (resid 71 and name HN) 3.516 1.545 1.545 weight 1.000 ! spec=HCH, no=2184, id=5173, vol=6.790000e+06
assign (resid 68 and name HB1) (resid 70 and name HG2) 3.884 1.886 1.886 weight 1.000 ! spec=HCH, no=2185, id=5174, vol=3.730000e+06
assign (resid 70 and name HG2) (resid 33 and name HE22) 4.076 2.077 2.077 weight 1.000 ! spec=HCH, no=2186, id=5175, vol=2.800000e+06
assign (resid 71 and name HN) (resid 70 and name HG1) 3.489 1.522 1.522 weight 1.000 ! spec=HCH, no=2187, id=5176, vol=7.100000e+06
assign (resid 70 and name HG1) (resid 68 and name HB1) 3.925 1.926 1.926 weight 1.000 ! spec=HCH, no=2190, id=5179, vol=3.510000e+06
assign (resid 70 and name HG2) (resid 70 and name HN) 2.853 1.018 1.018 weight 1.000 ! spec=HCH, no=2193, id=5182, vol=2.380000e+07
assign (resid 70 and name HG1) (resid 70 and name HN) 2.886 1.041 1.041 weight 1.000 ! spec=HCH, no=2194, id=5183, vol=2.220000e+07
assign (resid 70 and name HG2) (resid 70 and name HA) 2.552 0.814 0.814 weight 1.000 ! spec=HCH, no=2195, id=5184, vol=4.640000e+07
assign (resid 70 and name HG2) (resid 70 and name HB2) 2.447 0.748 0.748 weight 1.000 ! spec=HCH, no=2197, id=5186, vol=5.980000e+07
assign (resid 70 and name HB2) (resid 70 and name HG1) 2.434 0.741 0.741 weight 1.000 ! spec=HCH, no=2198, id=5187, vol=6.170000e+07
assign (resid 70 and name HG1) (resid 70 and name HG2) 1.814 0.412 0.412 weight 1.000 ! spec=HCH, no=2201, id=5189, vol=3.590000e+08
assign (resid 71 and name HA) (resid 74 and name HD1) 3.357 1.409 1.409 weight 1.000 ! spec=HCH, no=2205, id=5192, vol=8.960000e+06
    or (resid 71 and name HA) (resid 74 and name HD2)
assign (resid 71 and name HA) (resid 71 and name HG1) 2.857 1.020 1.020 weight 1.000 ! spec=HCH, no=2206, id=5193, vol=2.360000e+07
assign (resid 71 and name HA) (resid 32 and name HE1) 2.722 0.926 0.926 weight 1.000 ! spec=HCH, no=2207, id=5194, vol=3.150000e+07
    or (resid 71 and name HA) (resid 32 and name HE2)
assign (resid 71 and name HA) (resid 71 and name HB2) 2.603 0.847 0.847 weight 1.000 ! spec=HCH, no=2211, id=5198, vol=4.120000e+07
    or (resid 71 and name HA) (resid 71 and name HB1)
assign (resid 71 and name HB2) (resid 67 and name HN) 3.655 1.670 1.670 weight 1.000 ! spec=HCH, no=2216, id=5203, vol=5.380000e+06
assign (resid 66 and name HA) (resid 71 and name HB2) 2.444 0.747 0.747 weight 1.000 ! spec=HCH, no=2217, id=5204, vol=6.010000e+07
assign (resid 71 and name HB2) (resid 71 and name HG1) 2.766 0.957 0.957 weight 1.000 ! spec=HCH, no=2219, id=5206, vol=2.860000e+07
assign (resid 71 and name HA) (resid 71 and name HB2) 3.012 1.134 1.134 weight 1.000 ! spec=HCH, no=2223, id=5210, vol=1.720000e+07
assign (resid 71 and name HG2) (resid 32 and name HD1) 3.698 1.709 1.709 weight 1.000 ! spec=HCH, no=2226, id=5213, vol=5.010000e+06
    or (resid 71 and name HG2) (resid 32 and name HD2)
assign (resid 71 and name HG2) (resid 32 and name HE1) 3.470 1.505 1.505 weight 1.000 ! spec=HCH, no=2228, id=5215, vol=7.340000e+06
    or (resid 71 and name HG2) (resid 32 and name HE2)
assign (resid 71 and name HG1) (resid 66 and name HG12) 3.405 1.449 1.449 weight 1.000 ! spec=HCH, no=2229, id=5216, vol=8.230000e+06
assign (resid 71 and name HG1) (resid 32 and name HD1) 3.701 1.712 1.712 weight 1.000 ! spec=HCH, no=2230, id=5217, vol=4.990000e+06
    or (resid 71 and name HG1) (resid 32 and name HD2)
assign (resid 71 and name HB2) (resid 71 and name HG1) 2.799 0.979 0.979 weight 1.000 ! spec=HCH, no=2231, id=5218, vol=2.670000e+07
    or (resid 71 and name HG1) (resid 71 and name HB1)
assign (resid 71 and name HG1) (resid 32 and name HE1) 3.390 1.436 1.436 weight 1.000 ! spec=HCH, no=2232, id=5219, vol=8.460000e+06
    or (resid 71 and name HG1) (resid 32 and name HE2)
assign (resid 66 and name HG11) (resid 71 and name HG2) 3.750 1.758 1.758 weight 1.000 ! spec=HCH, no=2234, id=5221, vol=4.610000e+06
assign (resid 71 and name HG1) (resid 66 and name HG11) 3.898 1.899 1.899 weight 1.000 ! spec=HCH, no=2235, id=5222, vol=3.660000e+06
assign (resid 71 and name HG2) (resid 66 and name HG22) 3.278 1.344 1.344 weight 1.000 ! spec=HCH, no=2236, id=5223, vol=1.030000e+07
    or (resid 71 and name HG2) (resid 66 and name HG21)
    or (resid 71 and name HG2) (resid 66 and name HG23)
assign (resid 71 and name HG2) (resid 71 and name HN) 3.619 1.638 1.638 weight 1.000 ! spec=HCH, no=2238, id=5225, vol=5.700000e+06
assign (resid 71 and name HG1) (resid 71 and name HN) 3.642 1.658 1.658 weight 1.000 ! spec=HCH, no=2239, id=5226, vol=5.490000e+06
assign (resid 71 and name HA) (resid 71 and name HG2) 3.226 1.301 1.301 weight 1.000 ! spec=HCH, no=2240, id=5227, vol=1.140000e+07
assign (resid 71 and name HG2) (resid 71 and name HG1) 2.507 0.786 0.786 weight 1.000 ! spec=HCH, no=2242, id=5229, vol=5.160000e+07
assign (resid 72 and name HA) (resid 72 and name HB2) 2.629 0.864 0.864 weight 1.000 ! spec=HCH, no=2249, id=5235, vol=3.890000e+07
assign (resid 72 and name HA) (resid 75 and name HG11) 2.881 1.038 1.038 weight 1.000 ! spec=HCH, no=2251, id=5237, vol=2.240000e+07
assign (resid 72 and name HA) (resid 66 and name HG12) 2.853 1.018 1.018 weight 1.000 ! spec=HCH, no=2254, id=5240, vol=2.380000e+07
assign (resid 72 and name HA) (resid 66 and name HG11) 3.251 1.321 1.321 weight 1.000 ! spec=HCH, no=2255, id=5241, vol=1.090000e+07
assign (resid 72 and name HA) (resid 72 and name HB1) 2.847 1.013 1.013 weight 1.000 ! spec=HCH, no=2257, id=5243, vol=2.410000e+07
assign (resid 72 and name HD22) (resid 72 and name HA) 3.525 1.553 1.553 weight 1.000 ! spec=HCH, no=2258, id=5244, vol=6.680000e+06
assign (resid 73 and name HN) (resid 72 and name HA) 3.252 1.322 1.322 weight 1.000 ! spec=HCH, no=2259, id=5245, vol=1.080000e+07
assign (resid 72 and name HA) (resid 75 and name HN) 2.968 1.101 1.101 weight 1.000 ! spec=HCH, no=2260, id=5246, vol=1.880000e+07
assign (resid 72 and name HB2) (resid 73 and name HB2) 3.414 1.457 1.457 weight 1.000 ! spec=HCH, no=2264, id=5250, vol=8.100000e+06
    or (resid 72 and name HB2) (resid 73 and name HB1)
    or (resid 72 and name HB2) (resid 73 and name HB3)
assign (resid 72 and name HB2) (resid 113 and name HA) 3.802 1.807 1.807 weight 1.000 ! spec=HCH, no=2265, id=5251, vol=4.250000e+06
assign (resid 72 and name HB1) (resid 76 and name HD12) 3.821 1.825 1.825 weight 1.000 ! spec=HCH, no=2269, id=5255, vol=4.120000e+06
    or (resid 72 and name HB1) (resid 76 and name HD11)
    or (resid 72 and name HB1) (resid 76 and name HD13)
assign (resid 72 and name HB1) (resid 69 and name HB1) 3.872 1.874 1.874 weight 1.000 ! spec=HCH, no=2270, id=5256, vol=3.810000e+06
assign (resid 72 and name HB1) (resid 72 and name HB2) 2.483 0.771 0.771 weight 1.000 ! spec=HCH, no=2277, id=5263, vol=5.470000e+07
assign (resid 72 and name HD21) (resid 72 and name HB2) 3.078 1.184 1.184 weight 1.000 ! spec=HCH, no=2279, id=5264, vol=1.510000e+07
assign (resid 72 and name HD22) (resid 72 and name HB2) 3.380 1.428 1.428 weight 1.000 ! spec=HCH, no=2281, id=5266, vol=8.600000e+06
assign (resid 72 and name HB1) (resid 112 and name HD1) 3.476 1.511 1.511 weight 1.000 ! spec=HCH, no=2287, id=5272, vol=7.260000e+06
assign (resid 72 and name HB2) (resid 112 and name HE1) 3.448 1.486 1.486 weight 1.000 ! spec=HCH, no=2288, id=5273, vol=7.630000e+06
assign (resid 72 and name HB1) (resid 112 and name HE1) 3.519 1.548 1.548 weight 1.000 ! spec=HCH, no=2289, id=5274, vol=6.760000e+06
assign (resid 77 and name HN) (resid 73 and name HA) 3.268 1.335 1.335 weight 1.000 ! spec=HCH, no=2292, id=5277, vol=1.050000e+07
assign (resid 73 and name HB2) (resid 114 and name HE1) 3.869 1.871 1.871 weight 1.000 ! spec=HCH, no=2306, id=5290, vol=3.820000e+06
    or (resid 73 and name HB1) (resid 114 and name HE1)
    or (resid 73 and name HB3) (resid 114 and name HE1)
assign (resid 74 and name HN) (resid 73 and name HB2) 2.334 0.681 0.681 weight 1.000 ! spec=HCH, no=2310, id=5294, vol=7.930000e+07
    or (resid 74 and name HN) (resid 73 and name HB1)
    or (resid 74 and name HN) (resid 73 and name HB3)
assign (resid 72 and name HB1) (resid 73 and name HB2) 3.041 1.156 1.156 weight 1.000 ! spec=HCH, no=2311, id=5295, vol=1.620000e+07
    or (resid 72 and name HB1) (resid 73 and name HB1)
    or (resid 72 and name HB1) (resid 73 and name HB3)
assign (resid 73 and name HB2) (resid 76 and name HB1) 2.742 0.940 0.940 weight 1.000 ! spec=HCH, no=2314, id=5298, vol=3.020000e+07
    or (resid 73 and name HB1) (resid 76 and name HB1)
    or (resid 73 and name HB3) (resid 76 and name HB1)
assign (resid 73 and name HB2) (resid 72 and name HD22) 3.499 1.531 1.531 weight 1.000 ! spec=HCH, no=2318, id=5301, vol=6.990000e+06
    or (resid 73 and name HB1) (resid 72 and name HD22)
    or (resid 73 and name HB3) (resid 72 and name HD22)
assign (resid 73 and name HN) (resid 73 and name HB2) 2.037 0.519 0.519 weight 1.000 ! spec=HCH, no=2325, id=5308, vol=1.800000e+08
    or (resid 73 and name HN) (resid 73 and name HB1)
    or (resid 73 and name HN) (resid 73 and name HB3)
assign (resid 73 and name HA) (resid 73 and name HB2) 1.857 0.431 0.431 weight 1.000 ! spec=HCH, no=2326, id=5309, vol=3.120000e+08
    or (resid 73 and name HA) (resid 73 and name HB1)
    or (resid 73 and name HA) (resid 73 and name HB3)
assign (resid 73 and name HB2) (resid 73 and name HB1) 1.224 0.187 0.187 weight 1.000 ! spec=HCH, no=2327, id=5310, vol=3.820000e+09
    or (resid 73 and name HB2) (resid 73 and name HB3)
    or (resid 73 and name HB2) (resid 73 and name HB1)
    or (resid 73 and name HB1) (resid 73 and name HB3)
    or (resid 73 and name HB2) (resid 73 and name HB3)
    or (resid 73 and name HB1) (resid 73 and name HB3)
assign (resid 74 and name HA) (resid 32 and name HE1) 3.406 1.450 1.450 weight 1.000 ! spec=HCH, no=2328, id=5311, vol=8.210000e+06
    or (resid 74 and name HA) (resid 32 and name HE2)
assign (resid 74 and name HA) (resid 78 and name HN) 3.385 1.432 1.432 weight 1.000 ! spec=HCH, no=2331, id=5314, vol=8.530000e+06
assign (resid 76 and name HN) (resid 74 and name HA) 3.451 1.489 1.489 weight 1.000 ! spec=HCH, no=2334, id=5317, vol=7.590000e+06
assign (resid 74 and name HA) (resid 74 and name HB2) 2.269 0.643 0.643 weight 1.000 ! spec=HCH, no=2339, id=5321, vol=9.400000e+07
assign (resid 74 and name HA) (resid 74 and name HB1) 2.222 0.617 0.617 weight 1.000 ! spec=HCH, no=2340, id=5322, vol=1.070000e+08
assign (resid 75 and name HN) (resid 74 and name HA) 2.555 0.816 0.816 weight 1.000 ! spec=HCH, no=2342, id=5324, vol=4.610000e+07
assign (resid 71 and name HA) (resid 74 and name HB2) 3.171 1.257 1.257 weight 1.000 ! spec=HCH, no=2349, id=5331, vol=1.260000e+07
assign (resid 74 and name HB1) (resid 71 and name HA) 3.132 1.226 1.226 weight 1.000 ! spec=HCH, no=2352, id=5334, vol=1.360000e+07
assign (resid 74 and name HB1) (resid 73 and name HN) 3.729 1.738 1.738 weight 1.000 ! spec=HCH, no=2356, id=5338, vol=4.770000e+06
assign (resid 73 and name HB2) (resid 74 and name HB2) 3.735 1.744 1.744 weight 1.000 ! spec=HCH, no=2357, id=5339, vol=4.720000e+06
    or (resid 73 and name HB1) (resid 74 and name HB2)
    or (resid 73 and name HB3) (resid 74 and name HB2)
assign (resid 74 and name HB1) (resid 73 and name HB2) 3.521 1.550 1.550 weight 1.000 ! spec=HCH, no=2358, id=5340, vol=6.730000e+06
    or (resid 74 and name HB1) (resid 73 and name HB1)
    or (resid 74 and name HB1) (resid 73 and name HB3)
assign (resid 75 and name HA) (resid 83 and name HZ3) 3.380 1.428 1.428 weight 1.000 ! spec=HCH, no=2364, id=5346, vol=8.600000e+06
assign (resid 75 and name HA) (resid 76 and name HA) 3.965 1.965 1.965 weight 1.000 ! spec=HCH, no=2367, id=5349, vol=3.300000e+06
assign (resid 75 and name HA) (resid 78 and name HG21) 3.501 1.532 1.532 weight 1.000 ! spec=HCH, no=2368, id=5350, vol=6.970000e+06
    or (resid 75 and name HA) (resid 78 and name HG22)
    or (resid 75 and name HA) (resid 78 and name HG23)
assign (resid 75 and name HA) (resid 79 and name HN) 3.252 1.322 1.322 weight 1.000 ! spec=HCH, no=2369, id=5351, vol=1.080000e+07
assign (resid 75 and name HA) (resid 75 and name HB) 2.927 1.071 1.071 weight 1.000 ! spec=HCH, no=2371, id=5353, vol=2.040000e+07
assign (resid 75 and name HA) (resid 75 and name HG12) 2.896 1.048 1.048 weight 1.000 ! spec=HCH, no=2372, id=5354, vol=2.170000e+07
assign (resid 75 and name HA) (resid 75 and name HG11) 2.913 1.061 1.061 weight 1.000 ! spec=HCH, no=2373, id=5355, vol=2.100000e+07
assign (resid 75 and name HA) (resid 76 and name HD12) 3.547 1.573 1.573 weight 1.000 ! spec=HCH, no=2375, id=5357, vol=6.440000e+06
    or (resid 75 and name HA) (resid 76 and name HD11)
    or (resid 75 and name HA) (resid 76 and name HD13)
assign (resid 75 and name HA) (resid 79 and name HD22) 2.464 0.759 0.759 weight 1.000 ! spec=HCH, no=2377, id=5359, vol=5.730000e+07
    or (resid 75 and name HA) (resid 79 and name HD21)
    or (resid 75 and name HA) (resid 79 and name HD23)
assign (resid 75 and name HA) (resid 152 and name HD22) 2.756 0.949 0.949 weight 1.000 ! spec=HCH, no=2379, id=5361, vol=2.930000e+07
    or (resid 75 and name HA) (resid 152 and name HD21)
    or (resid 75 and name HA) (resid 152 and name HD23)
assign (resid 75 and name HB) (resid 76 and name HD12) 3.237 1.310 1.310 weight 1.000 ! spec=HCH, no=2381, id=5363, vol=1.110000e+07
    or (resid 75 and name HB) (resid 76 and name HD11)
    or (resid 75 and name HB) (resid 76 and name HD13)
assign (resid 75 and name HB) (resid 78 and name HB) 4.069 2.070 2.070 weight 1.000 ! spec=HCH, no=2382, id=5364, vol=2.820000e+06
assign (resid 75 and name HB) (resid 74 and name HD1) 3.681 1.694 1.694 weight 1.000 ! spec=HCH, no=2386, id=5368, vol=5.150000e+06
assign (resid 75 and name HB) (resid 76 and name HA) 4.033 2.033 2.033 weight 1.000 ! spec=HCH, no=2392, id=5373, vol=2.980000e+06
assign (resid 75 and name HD12) (resid 75 and name HB) 2.416 0.730 0.730 weight 1.000 ! spec=HCH, no=2394, id=5375, vol=6.450000e+07
    or (resid 75 and name HD11) (resid 75 and name HB)
    or (resid 75 and name HD13) (resid 75 and name HB)
assign (resid 75 and name HD12) (resid 37 and name HB2) 3.368 1.418 1.418 weight 1.000 ! spec=HCH, no=2399, id=5380, vol=8.790000e+06
    or (resid 75 and name HD11) (resid 37 and name HB2)
    or (resid 75 and name HD13) (resid 37 and name HB2)
assign (resid 71 and name HG1) (resid 75 and name HD12) 2.832 1.003 1.003 weight 1.000 ! spec=HCH, no=2401, id=5382, vol=2.490000e+07
    or (resid 71 and name HG1) (resid 75 and name HD11)
    or (resid 71 and name HG1) (resid 75 and name HD13)
assign (resid 75 and name HD12) (resid 74 and name HE1) 2.949 1.087 1.087 weight 1.000 ! spec=HCH, no=2405, id=5386, vol=1.950000e+07
    or (resid 75 and name HD11) (resid 74 and name HE1)
    or (resid 75 and name HD13) (resid 74 and name HE1)
assign (resid 75 and name HD12) (resid 74 and name HD1) 2.836 1.005 1.005 weight 1.000 ! spec=HCH, no=2406, id=5387, vol=2.460000e+07
    or (resid 75 and name HD11) (resid 74 and name HD1)
    or (resid 75 and name HD13) (resid 74 and name HD1)
assign (resid 75 and name HN) (resid 75 and name HD12) 2.797 0.978 0.978 weight 1.000 ! spec=HCH, no=2407, id=5388, vol=2.680000e+07
    or (resid 75 and name HN) (resid 75 and name HD11)
    or (resid 75 and name HN) (resid 75 and name HD13)
assign (resid 75 and name HD12) (resid 75 and name HA) 2.491 0.775 0.775 weight 1.000 ! spec=HCH, no=2408, id=5389, vol=5.370000e+07
    or (resid 75 and name HD11) (resid 75 and name HA)
    or (resid 75 and name HD13) (resid 75 and name HA)
assign (resid 75 and name HD12) (resid 75 and name HG11) 2.244 0.629 0.629 weight 1.000 ! spec=HCH, no=2409, id=5390, vol=1.000000e+08
    or (resid 75 and name HD11) (resid 75 and name HG11)
    or (resid 75 and name HD13) (resid 75 and name HG11)
assign (resid 75 and name HG12) (resid 72 and name HA) 3.700 1.711 1.711 weight 1.000 ! spec=HCH, no=2411, id=5392, vol=5.000000e+06
assign (resid 75 and name HG12) (resid 74 and name HB1) 3.532 1.559 1.559 weight 1.000 ! spec=HCH, no=2415, id=5396, vol=6.610000e+06
assign (resid 75 and name HG11) (resid 71 and name HG2) 3.340 1.394 1.394 weight 1.000 ! spec=HCH, no=2416, id=5397, vol=9.240000e+06
assign (resid 75 and name HB) (resid 75 and name HG11) 2.744 0.941 0.941 weight 1.000 ! spec=HCH, no=2417, id=5398, vol=3.000000e+07
assign (resid 75 and name HB) (resid 75 and name HG12) 2.934 1.076 1.076 weight 1.000 ! spec=HCH, no=2423, id=5404, vol=2.010000e+07
assign (resid 75 and name HG12) (resid 75 and name HG11) 2.391 0.715 0.715 weight 1.000 ! spec=HCH, no=2424, id=5405, vol=6.860000e+07
assign (resid 75 and name HG11) (resid 76 and name HN) 3.660 1.675 1.675 weight 1.000 ! spec=HCH, no=2426, id=5407, vol=5.330000e+06
assign (resid 75 and name HG22) (resid 78 and name HG21) 3.428 1.469 1.469 weight 1.000 ! spec=HCH, no=2428, id=5408, vol=7.900000e+06
    or (resid 75 and name HG22) (resid 78 and name HG22)
    or (resid 75 and name HG22) (resid 78 and name HG23)
    or (resid 75 and name HG21) (resid 78 and name HG21)
    or (resid 75 and name HG21) (resid 78 and name HG22)
    or (resid 75 and name HG21) (resid 78 and name HG23)
    or (resid 75 and name HG23) (resid 78 and name HG21)
    or (resid 75 and name HG23) (resid 78 and name HG22)
    or (resid 75 and name HG23) (resid 78 and name HG23)
assign (resid 75 and name HG22) (resid 152 and name HA) 4.099 2.100 2.100 weight 1.000 ! spec=HCH, no=2434, id=5413, vol=2.700000e+06
    or (resid 75 and name HG21) (resid 152 and name HA)
    or (resid 75 and name HG23) (resid 152 and name HA)
assign (resid 75 and name HB) (resid 75 and name HG22) 2.195 0.602 0.602 weight 1.000 ! spec=HCH, no=2438, id=5416, vol=1.150000e+08
    or (resid 75 and name HB) (resid 75 and name HG21)
    or (resid 75 and name HB) (resid 75 and name HG23)
assign (resid 75 and name HG22) (resid 79 and name HN) 3.138 1.231 1.231 weight 1.000 ! spec=HCH, no=2441, id=5419, vol=1.340000e+07
    or (resid 75 and name HG21) (resid 79 and name HN)
    or (resid 75 and name HG23) (resid 79 and name HN)
assign (resid 75 and name HG22) (resid 83 and name HZ3) 3.067 1.176 1.176 weight 1.000 ! spec=HCH, no=2444, id=5422, vol=1.540000e+07
    or (resid 75 and name HG21) (resid 83 and name HZ3)
    or (resid 75 and name HG23) (resid 83 and name HZ3)
assign (resid 75 and name HG22) (resid 71 and name HG1) 3.917 1.918 1.918 weight 1.000 ! spec=HCH, no=2445, id=5423, vol=3.550000e+06
    or (resid 75 and name HG21) (resid 71 and name HG1)
    or (resid 75 and name HG23) (resid 71 and name HG1)
assign (resid 75 and name HG22) (resid 78 and name HN) 3.425 1.467 1.467 weight 1.000 ! spec=HCH, no=2447, id=5425, vol=7.940000e+06
    or (resid 75 and name HG21) (resid 78 and name HN)
    or (resid 75 and name HG23) (resid 78 and name HN)
assign (resid 75 and name HG22) (resid 78 and name HB) 3.233 1.307 1.307 weight 1.000 ! spec=HCH, no=2449, id=5427, vol=1.120000e+07
    or (resid 75 and name HG21) (resid 78 and name HB)
    or (resid 75 and name HG23) (resid 78 and name HB)
assign (resid 75 and name HG22) (resid 65 and name HN) 3.971 1.971 1.971 weight 1.000 ! spec=HCH, no=2455, id=5433, vol=3.270000e+06
    or (resid 75 and name HG21) (resid 65 and name HN)
    or (resid 75 and name HG23) (resid 65 and name HN)
assign (resid 75 and name HG22) (resid 74 and name HD1) 3.389 1.436 1.436 weight 1.000 ! spec=HCH, no=2458, id=5436, vol=8.460000e+06
    or (resid 75 and name HG21) (resid 74 and name HD1)
    or (resid 75 and name HG23) (resid 74 and name HD1)
assign (resid 75 and name HN) (resid 75 and name HG22) 2.706 0.915 0.915 weight 1.000 ! spec=HCH, no=2459, id=5437, vol=3.260000e+07
    or (resid 75 and name HN) (resid 75 and name HG21)
    or (resid 75 and name HN) (resid 75 and name HG23)
assign (resid 75 and name HG22) (resid 75 and name HA) 2.381 0.709 0.709 weight 1.000 ! spec=HCH, no=2460, id=5438, vol=7.030000e+07
    or (resid 75 and name HG21) (resid 75 and name HA)
    or (resid 75 and name HG23) (resid 75 and name HA)
assign (resid 75 and name HG22) (resid 75 and name HG11) 2.449 0.749 0.749 weight 1.000 ! spec=HCH, no=2461, id=5439, vol=5.950000e+07
    or (resid 75 and name HG21) (resid 75 and name HG11)
    or (resid 75 and name HG23) (resid 75 and name HG11)
assign (resid 75 and name HG22) (resid 75 and name HG21) 1.304 0.212 0.212 weight 1.000 ! spec=HCH, no=2462, id=5440, vol=2.610000e+09
    or (resid 75 and name HG22) (resid 75 and name HG23)
    or (resid 75 and name HG22) (resid 75 and name HG21)
    or (resid 75 and name HG21) (resid 75 and name HG23)
    or (resid 75 and name HG22) (resid 75 and name HG23)
    or (resid 75 and name HG21) (resid 75 and name HG23)
assign (resid 75 and name HG22) (resid 76 and name HN) 2.790 0.973 0.973 weight 1.000 ! spec=HCH, no=2463, id=5441, vol=2.720000e+07
    or (resid 75 and name HG21) (resid 76 and name HN)
    or (resid 75 and name HG23) (resid 76 and name HN)
assign (resid 75 and name HG22) (resid 76 and name HA) 2.956 1.092 1.092 weight 1.000 ! spec=HCH, no=2464, id=5442, vol=1.920000e+07
    or (resid 75 and name HG21) (resid 76 and name HA)
    or (resid 75 and name HG23) (resid 76 and name HA)
assign (resid 76 and name HA) (resid 76 and name HB2) 2.565 0.822 0.822 weight 1.000 ! spec=HCH, no=2466, id=5444, vol=4.500000e+07
assign (resid 79 and name HN) (resid 76 and name HA) 3.165 1.252 1.252 weight 1.000 ! spec=HCH, no=2467, id=5445, vol=1.280000e+07
assign (resid 78 and name HN) (resid 76 and name HA) 3.378 1.426 1.426 weight 1.000 ! spec=HCH, no=2468, id=5446, vol=8.630000e+06
assign (resid 76 and name HA) (resid 76 and name HG) 2.504 0.784 0.784 weight 1.000 ! spec=HCH, no=2471, id=5448, vol=5.200000e+07
assign (resid 76 and name HB2) (resid 73 and name HA) 2.970 1.102 1.102 weight 1.000 ! spec=HCH, no=2477, id=5454, vol=1.870000e+07
assign (resid 76 and name HB1) (resid 73 and name HA) 2.867 1.027 1.027 weight 1.000 ! spec=HCH, no=2480, id=5457, vol=2.310000e+07
assign (resid 76 and name HN) (resid 76 and name HB2) 2.818 0.993 0.993 weight 1.000 ! spec=HCH, no=2481, id=5458, vol=2.560000e+07
assign (resid 76 and name HB1) (resid 76 and name HA) 2.844 1.011 1.011 weight 1.000 ! spec=HCH, no=2484, id=5461, vol=2.420000e+07
assign (resid 76 and name HB1) (resid 76 and name HB2) 2.128 0.566 0.566 weight 1.000 ! spec=HCH, no=2487, id=5463, vol=1.380000e+08
assign (resid 76 and name HB2) (resid 76 and name HD12) 2.554 0.815 0.815 weight 1.000 ! spec=HCH, no=2488, id=5464, vol=4.620000e+07
    or (resid 76 and name HB2) (resid 76 and name HD11)
    or (resid 76 and name HB2) (resid 76 and name HD13)
assign (resid 76 and name HB1) (resid 76 and name HD12) 2.644 0.874 0.874 weight 1.000 ! spec=HCH, no=2489, id=5465, vol=3.750000e+07
    or (resid 76 and name HB1) (resid 76 and name HD11)
    or (resid 76 and name HB1) (resid 76 and name HD13)
assign (resid 76 and name HB2) (resid 133 and name HA) 3.483 1.516 1.516 weight 1.000 ! spec=HCH, no=2492, id=5468, vol=7.180000e+06
assign (resid 76 and name HD12) (resid 72 and name HD21) 2.896 1.049 1.049 weight 1.000 ! spec=HCH, no=2504, id=5477, vol=2.170000e+07
    or (resid 76 and name HD11) (resid 72 and name HD21)
    or (resid 76 and name HD13) (resid 72 and name HD21)
assign (resid 76 and name HD12) (resid 138 and name HE1) 3.674 1.688 1.688 weight 1.000 ! spec=HCH, no=2507, id=5480, vol=5.210000e+06
    or (resid 76 and name HD11) (resid 138 and name HE1)
    or (resid 76 and name HD13) (resid 138 and name HE1)
assign (resid 76 and name HD12) (resid 72 and name HD22) 3.130 1.225 1.225 weight 1.000 ! spec=HCH, no=2508, id=5481, vol=1.360000e+07
    or (resid 76 and name HD11) (resid 72 and name HD22)
    or (resid 76 and name HD13) (resid 72 and name HD22)
assign (resid 76 and name HA) (resid 76 and name HD12) 2.210 0.610 0.610 weight 1.000 ! spec=HCH, no=2512, id=5484, vol=1.100000e+08
    or (resid 76 and name HA) (resid 76 and name HD11)
    or (resid 76 and name HA) (resid 76 and name HD13)
assign (resid 76 and name HD12) (resid 76 and name HN) 2.801 0.981 0.981 weight 1.000 ! spec=HCH, no=2517, id=5488, vol=2.650000e+07
    or (resid 76 and name HD11) (resid 76 and name HN)
    or (resid 76 and name HD13) (resid 76 and name HN)
assign (resid 76 and name HD12) (resid 76 and name HG) 2.105 0.554 0.554 weight 1.000 ! spec=HCH, no=2519, id=5490, vol=1.470000e+08
    or (resid 76 and name HD11) (resid 76 and name HG)
    or (resid 76 and name HD13) (resid 76 and name HG)
assign (resid 76 and name HD12) (resid 76 and name HD11) 1.139 0.162 0.162 weight 1.000 ! spec=HCH, no=2520, id=5491, vol=5.860000e+09
    or (resid 76 and name HD12) (resid 76 and name HD13)
    or (resid 76 and name HD12) (resid 76 and name HD11)
    or (resid 76 and name HD11) (resid 76 and name HD13)
    or (resid 76 and name HD12) (resid 76 and name HD13)
    or (resid 76 and name HD11) (resid 76 and name HD13)
assign (resid 76 and name HD12) (resid 89 and name HN) 3.728 1.738 1.738 weight 1.000 ! spec=HCH, no=2521, id=5492, vol=4.770000e+06
    or (resid 76 and name HD11) (resid 89 and name HN)
    or (resid 76 and name HD13) (resid 89 and name HN)
assign (resid 76 and name HD12) (resid 131 and name HG) 2.365 0.699 0.699 weight 1.000 ! spec=HCH, no=2522, id=5493, vol=7.320000e+07
    or (resid 76 and name HD11) (resid 131 and name HG)
    or (resid 76 and name HD13) (resid 131 and name HG)
assign (resid 76 and name HD12) (resid 131 and name HD22) 2.068 0.535 0.535 weight 1.000 ! spec=HCH, no=2523, id=5494, vol=1.640000e+08
    or (resid 76 and name HD12) (resid 131 and name HD21)
    or (resid 76 and name HD12) (resid 131 and name HD23)
    or (resid 76 and name HD11) (resid 131 and name HD22)
    or (resid 76 and name HD11) (resid 131 and name HD21)
    or (resid 76 and name HD11) (resid 131 and name HD23)
    or (resid 76 and name HD13) (resid 131 and name HD22)
    or (resid 76 and name HD13) (resid 131 and name HD21)
    or (resid 76 and name HD13) (resid 131 and name HD23)
assign (resid 76 and name HD12) (resid 132 and name HN) 3.481 1.515 1.515 weight 1.000 ! spec=HCH, no=2524, id=5495, vol=7.200000e+06
    or (resid 76 and name HD11) (resid 132 and name HN)
    or (resid 76 and name HD13) (resid 132 and name HN)
assign (resid 76 and name HD12) (resid 133 and name HN) 3.151 1.241 1.241 weight 1.000 ! spec=HCH, no=2525, id=5496, vol=1.310000e+07
    or (resid 76 and name HD11) (resid 133 and name HN)
    or (resid 76 and name HD13) (resid 133 and name HN)
assign (resid 76 and name HD12) (resid 133 and name HA) 2.103 0.553 0.553 weight 1.000 ! spec=HCH, no=2526, id=5497, vol=1.480000e+08
    or (resid 76 and name HD11) (resid 133 and name HA)
    or (resid 76 and name HD13) (resid 133 and name HA)
assign (resid 76 and name HD12) (resid 136 and name HA2) 2.107 0.555 0.555 weight 1.000 ! spec=HCH, no=2528, id=5499, vol=1.460000e+08
    or (resid 76 and name HD11) (resid 136 and name HA2)
    or (resid 76 and name HD13) (resid 136 and name HA2)
assign (resid 76 and name HD12) (resid 136 and name HA1) 2.437 0.742 0.742 weight 1.000 ! spec=HCH, no=2529, id=5500, vol=6.120000e+07
    or (resid 76 and name HD11) (resid 136 and name HA1)
    or (resid 76 and name HD13) (resid 136 and name HA1)
assign (resid 76 and name HD12) (resid 137 and name HN) 3.423 1.465 1.465 weight 1.000 ! spec=HCH, no=2530, id=5501, vol=7.970000e+06
    or (resid 76 and name HD11) (resid 137 and name HN)
    or (resid 76 and name HD13) (resid 137 and name HN)
assign (resid 76 and name HD12) (resid 138 and name HZ2) 3.959 1.959 1.959 weight 1.000 ! spec=HCH, no=2532, id=5503, vol=3.330000e+06
    or (resid 76 and name HD11) (resid 138 and name HZ2)
    or (resid 76 and name HD13) (resid 138 and name HZ2)
assign (resid 76 and name HD22) (resid 72 and name HD21) 2.636 0.869 0.869 weight 1.000 ! spec=HCH, no=2535, id=5506, vol=3.820000e+07
    or (resid 76 and name HD21) (resid 72 and name HD21)
    or (resid 76 and name HD23) (resid 72 and name HD21)
assign (resid 73 and name HA) (resid 76 and name HD22) 2.483 0.771 0.771 weight 1.000 ! spec=HCH, no=2536, id=5507, vol=5.470000e+07
    or (resid 73 and name HA) (resid 76 and name HD21)
    or (resid 73 and name HA) (resid 76 and name HD23)
assign (resid 76 and name HD22) (resid 72 and name HD22) 2.774 0.962 0.962 weight 1.000 ! spec=HCH, no=2538, id=5509, vol=2.820000e+07
    or (resid 76 and name HD21) (resid 72 and name HD22)
    or (resid 76 and name HD23) (resid 72 and name HD22)
assign (resid 76 and name HD22) (resid 133 and name HN) 3.428 1.469 1.469 weight 1.000 ! spec=HCH, no=2540, id=5510, vol=7.900000e+06
    or (resid 76 and name HD21) (resid 133 and name HN)
    or (resid 76 and name HD23) (resid 133 and name HN)
assign (resid 73 and name HN) (resid 76 and name HD22) 3.575 1.598 1.598 weight 1.000 ! spec=HCH, no=2541, id=5511, vol=6.140000e+06
    or (resid 73 and name HN) (resid 76 and name HD21)
    or (resid 73 and name HN) (resid 76 and name HD23)
assign (resid 76 and name HD22) (resid 76 and name HB2) 2.308 0.666 0.666 weight 1.000 ! spec=HCH, no=2544, id=5514, vol=8.490000e+07
    or (resid 76 and name HD21) (resid 76 and name HB2)
    or (resid 76 and name HD23) (resid 76 and name HB2)
assign (resid 135 and name HN) (resid 76 and name HD22) 3.359 1.410 1.410 weight 1.000 ! spec=HCH, no=2547, id=5516, vol=8.930000e+06
    or (resid 135 and name HN) (resid 76 and name HD21)
    or (resid 135 and name HN) (resid 76 and name HD23)
assign (resid 76 and name HD22) (resid 72 and name HB1) 3.613 1.632 1.632 weight 1.000 ! spec=HCH, no=2548, id=5517, vol=5.770000e+06
    or (resid 76 and name HD21) (resid 72 and name HB1)
    or (resid 76 and name HD23) (resid 72 and name HB1)
assign (resid 76 and name HD22) (resid 76 and name HA) 2.688 0.903 0.903 weight 1.000 ! spec=HCH, no=2553, id=5521, vol=3.400000e+07
    or (resid 76 and name HD21) (resid 76 and name HA)
    or (resid 76 and name HD23) (resid 76 and name HA)
assign (resid 76 and name HD22) (resid 76 and name HB1) 2.202 0.606 0.606 weight 1.000 ! spec=HCH, no=2554, id=5522, vol=1.130000e+08
    or (resid 76 and name HD21) (resid 76 and name HB1)
    or (resid 76 and name HD23) (resid 76 and name HB1)
assign (resid 76 and name HD22) (resid 76 and name HG) 2.222 0.617 0.617 weight 1.000 ! spec=HCH, no=2555, id=5523, vol=1.060000e+08
    or (resid 76 and name HD21) (resid 76 and name HG)
    or (resid 76 and name HD23) (resid 76 and name HG)
assign (resid 76 and name HD22) (resid 76 and name HD21) 1.216 0.185 0.185 weight 1.000 ! spec=HCH, no=2556, id=5524, vol=3.970000e+09
    or (resid 76 and name HD22) (resid 76 and name HD23)
    or (resid 76 and name HD22) (resid 76 and name HD21)
    or (resid 76 and name HD21) (resid 76 and name HD23)
    or (resid 76 and name HD22) (resid 76 and name HD23)
    or (resid 76 and name HD21) (resid 76 and name HD23)
assign (resid 76 and name HD22) (resid 132 and name HN) 4.071 2.072 2.072 weight 1.000 ! spec=HCH, no=2557, id=5525, vol=2.820000e+06
    or (resid 76 and name HD21) (resid 132 and name HN)
    or (resid 76 and name HD23) (resid 132 and name HN)
assign (resid 76 and name HD22) (resid 135 and name HA) 3.674 1.687 1.687 weight 1.000 ! spec=HCH, no=2560, id=5528, vol=5.210000e+06
    or (resid 76 and name HD21) (resid 135 and name HA)
    or (resid 76 and name HD23) (resid 135 and name HA)
assign (resid 76 and name HD22) (resid 136 and name HA2) 2.312 0.668 0.668 weight 1.000 ! spec=HCH, no=2562, id=5530, vol=8.390000e+07
    or (resid 76 and name HD21) (resid 136 and name HA2)
    or (resid 76 and name HD23) (resid 136 and name HA2)
assign (resid 76 and name HD22) (resid 136 and name HA1) 2.433 0.740 0.740 weight 1.000 ! spec=HCH, no=2563, id=5531, vol=6.190000e+07
    or (resid 76 and name HD21) (resid 136 and name HA1)
    or (resid 76 and name HD23) (resid 136 and name HA1)
assign (resid 76 and name HG) (resid 72 and name HD22) 3.871 1.873 1.873 weight 1.000 ! spec=HCH, no=2566, id=5534, vol=3.810000e+06
assign (resid 76 and name HG) (resid 76 and name HB2) 2.673 0.893 0.893 weight 1.000 ! spec=HCH, no=2569, id=5537, vol=3.520000e+07
assign (resid 76 and name HG) (resid 77 and name HN) 3.426 1.468 1.468 weight 1.000 ! spec=HCH, no=2570, id=5538, vol=7.920000e+06
assign (resid 76 and name HG) (resid 131 and name HD22) 3.015 1.136 1.136 weight 1.000 ! spec=HCH, no=2572, id=5540, vol=1.710000e+07
    or (resid 76 and name HG) (resid 131 and name HD21)
    or (resid 76 and name HG) (resid 131 and name HD23)
assign (resid 77 and name HA) (resid 80 and name HB2) 2.490 0.775 0.775 weight 1.000 ! spec=HCH, no=2573, id=5541, vol=5.380000e+07
assign (resid 77 and name HA) (resid 81 and name HN) 3.333 1.389 1.389 weight 1.000 ! spec=HCH, no=2576, id=5544, vol=9.360000e+06
assign (resid 77 and name HA) (resid 80 and name HE2) 3.080 1.186 1.186 weight 1.000 ! spec=HCH, no=2579, id=5547, vol=1.500000e+07
    or (resid 77 and name HA) (resid 80 and name HE1)
assign (resid 77 and name HA) (resid 76 and name HD22) 3.674 1.687 1.687 weight 1.000 ! spec=HCH, no=2581, id=5549, vol=5.220000e+06
    or (resid 77 and name HA) (resid 76 and name HD21)
    or (resid 77 and name HA) (resid 76 and name HD23)
assign (resid 77 and name HA) (resid 77 and name HB2) 2.463 0.759 0.759 weight 1.000 ! spec=HCH, no=2586, id=5554, vol=5.740000e+07
assign (resid 77 and name HA) (resid 77 and name HB1) 2.360 0.696 0.696 weight 1.000 ! spec=HCH, no=2587, id=5555, vol=7.430000e+07
assign (resid 78 and name HN) (resid 77 and name HA) 2.841 1.009 1.009 weight 1.000 ! spec=HCH, no=2588, id=5556, vol=2.440000e+07
assign (resid 77 and name HA) (resid 78 and name HA) 3.537 1.564 1.564 weight 1.000 ! spec=HCH, no=2589, id=5557, vol=6.550000e+06
assign (resid 80 and name HN) (resid 77 and name HA) 2.835 1.005 1.005 weight 1.000 ! spec=HCH, no=2590, id=5558, vol=2.470000e+07
assign (resid 77 and name HA) (resid 133 and name HD12) 3.692 1.704 1.704 weight 1.000 ! spec=HCH, no=2591, id=5559, vol=5.060000e+06
    or (resid 77 and name HA) (resid 133 and name HD11)
    or (resid 77 and name HA) (resid 133 and name HD13)
assign (resid 77 and name HB2) (resid 81 and name HB1) 3.441 1.480 1.480 weight 1.000 ! spec=HCH, no=2593, id=5561, vol=7.720000e+06
assign (resid 77 and name HB2) (resid 78 and name HA) 3.902 1.903 1.903 weight 1.000 ! spec=HCH, no=2597, id=5565, vol=3.640000e+06
assign (resid 74 and name HA) (resid 77 and name HB1) 2.864 1.026 1.026 weight 1.000 ! spec=HCH, no=2605, id=5573, vol=2.320000e+07
assign (resid 77 and name HB1) (resid 77 and name HB2) 1.956 0.478 0.478 weight 1.000 ! spec=HCH, no=2614, id=5581, vol=2.290000e+08
assign (resid 78 and name HN) (resid 77 and name HB2) 2.789 0.973 0.973 weight 1.000 ! spec=HCH, no=2615, id=5582, vol=2.720000e+07
assign (resid 78 and name HA) (resid 81 and name HG1) 3.473 1.508 1.508 weight 1.000 ! spec=HCH, no=2617, id=5584, vol=7.310000e+06
assign (resid 78 and name HA) (resid 77 and name HB1) 4.124 2.126 2.126 weight 1.000 ! spec=HCH, no=2621, id=5588, vol=2.600000e+06
assign (resid 78 and name HA) (resid 81 and name HB2) 2.812 0.989 0.989 weight 1.000 ! spec=HCH, no=2622, id=5589, vol=2.590000e+07
assign (resid 78 and name HA) (resid 78 and name HB) 2.523 0.796 0.796 weight 1.000 ! spec=HCH, no=2625, id=5591, vol=4.970000e+07
assign (resid 78 and name HA) (resid 78 and name HG21) 2.481 0.769 0.769 weight 1.000 ! spec=HCH, no=2626, id=5592, vol=5.500000e+07
    or (resid 78 and name HA) (resid 78 and name HG22)
    or (resid 78 and name HA) (resid 78 and name HG23)
assign (resid 82 and name HN) (resid 78 and name HA) 3.283 1.347 1.347 weight 1.000 ! spec=HCH, no=2629, id=5595, vol=1.020000e+07
assign (resid 75 and name HN) (resid 78 and name HB) 3.601 1.621 1.621 weight 1.000 ! spec=HCH, no=2632, id=5598, vol=5.880000e+06
assign (resid 30 and name HG12) (resid 78 and name HG21) 3.419 1.461 1.461 weight 1.000 ! spec=HCH, no=2639, id=5604, vol=8.030000e+06
    or (resid 30 and name HG12) (resid 78 and name HG22)
    or (resid 30 and name HG12) (resid 78 and name HG23)
assign (resid 78 and name HG21) (resid 79 and name HA) 3.693 1.705 1.705 weight 1.000 ! spec=HCH, no=2640, id=5605, vol=5.060000e+06
    or (resid 78 and name HG22) (resid 79 and name HA)
    or (resid 78 and name HG23) (resid 79 and name HA)
assign (resid 78 and name HG21) (resid 30 and name HB) 3.111 1.209 1.209 weight 1.000 ! spec=HCH, no=2641, id=5606, vol=1.420000e+07
    or (resid 78 and name HG22) (resid 30 and name HB)
    or (resid 78 and name HG23) (resid 30 and name HB)
assign (resid 78 and name HG21) (resid 82 and name HA) 3.852 1.855 1.855 weight 1.000 ! spec=HCH, no=2642, id=5607, vol=3.920000e+06
    or (resid 78 and name HG22) (resid 82 and name HA)
    or (resid 78 and name HG23) (resid 82 and name HA)
assign (resid 81 and name HN) (resid 78 and name HG21) 3.733 1.742 1.742 weight 1.000 ! spec=HCH, no=2644, id=5609, vol=4.740000e+06
    or (resid 81 and name HN) (resid 78 and name HG22)
    or (resid 81 and name HN) (resid 78 and name HG23)
assign (resid 78 and name HG21) (resid 37 and name HD1) 3.732 1.741 1.741 weight 1.000 ! spec=HCH, no=2649, id=5613, vol=4.750000e+06
    or (resid 78 and name HG22) (resid 37 and name HD1)
    or (resid 78 and name HG23) (resid 37 and name HD1)
assign (resid 78 and name HG21) (resid 74 and name HZ) 3.426 1.467 1.467 weight 1.000 ! spec=HCH, no=2651, id=5615, vol=7.930000e+06
    or (resid 78 and name HG22) (resid 74 and name HZ)
    or (resid 78 and name HG23) (resid 74 and name HZ)
assign (resid 78 and name HB) (resid 78 and name HG21) 2.528 0.799 0.799 weight 1.000 ! spec=HCH, no=2654, id=5618, vol=4.920000e+07
    or (resid 78 and name HB) (resid 78 and name HG22)
    or (resid 78 and name HB) (resid 78 and name HG23)
assign (resid 78 and name HG21) (resid 78 and name HG22) 1.549 0.300 0.300 weight 1.000 ! spec=HCH, no=2655, id=5619, vol=9.290000e+08
    or (resid 78 and name HG21) (resid 78 and name HG23)
    or (resid 78 and name HG21) (resid 78 and name HG22)
    or (resid 78 and name HG22) (resid 78 and name HG23)
    or (resid 78 and name HG21) (resid 78 and name HG23)
    or (resid 78 and name HG22) (resid 78 and name HG23)
assign (resid 78 and name HG21) (resid 82 and name HB2) 2.976 1.107 1.107 weight 1.000 ! spec=HCH, no=2656, id=5620, vol=1.850000e+07
    or (resid 78 and name HG22) (resid 82 and name HB2)
    or (resid 78 and name HG23) (resid 82 and name HB2)
assign (resid 78 and name HG21) (resid 82 and name HB1) 2.838 1.007 1.007 weight 1.000 ! spec=HCH, no=2657, id=5621, vol=2.450000e+07
    or (resid 78 and name HG22) (resid 82 and name HB1)
    or (resid 78 and name HG23) (resid 82 and name HB1)
assign (resid 79 and name HA) (resid 79 and name HG) 2.923 1.068 1.068 weight 1.000 ! spec=HCH, no=2662, id=5626, vol=2.060000e+07
assign (resid 79 and name HA) (resid 79 and name HB2) 2.751 0.946 0.946 weight 1.000 ! spec=HCH, no=2665, id=5628, vol=2.960000e+07
assign (resid 79 and name HA) (resid 79 and name HB1) 2.925 1.070 1.070 weight 1.000 ! spec=HCH, no=2666, id=5629, vol=2.050000e+07
assign (resid 79 and name HA) (resid 79 and name HD22) 3.028 1.146 1.146 weight 1.000 ! spec=HCH, no=2668, id=5631, vol=1.660000e+07
    or (resid 79 and name HA) (resid 79 and name HD21)
    or (resid 79 and name HA) (resid 79 and name HD23)
assign (resid 83 and name HN) (resid 79 and name HA) 3.100 1.201 1.201 weight 1.000 ! spec=HCH, no=2669, id=5632, vol=1.450000e+07
assign (resid 79 and name HA) (resid 83 and name HB2) 2.557 0.817 0.817 weight 1.000 ! spec=HCH, no=2671, id=5634, vol=4.590000e+07
assign (resid 79 and name HB2) (resid 79 and name HG) 2.947 1.085 1.085 weight 1.000 ! spec=HCH, no=2672, id=5635, vol=1.960000e+07
assign (resid 79 and name HB1) (resid 81 and name HN) 3.552 1.577 1.577 weight 1.000 ! spec=HCH, no=2673, id=5636, vol=6.380000e+06
assign (resid 79 and name HB1) (resid 85 and name HA1) 3.612 1.631 1.631 weight 1.000 ! spec=HCH, no=2675, id=5638, vol=5.780000e+06
assign (resid 79 and name HB1) (resid 76 and name HA) 3.303 1.363 1.363 weight 1.000 ! spec=HCH, no=2676, id=5639, vol=9.880000e+06
assign (resid 79 and name HB1) (resid 79 and name HB2) 2.355 0.693 0.693 weight 1.000 ! spec=HCH, no=2681, id=5644, vol=7.530000e+07
assign (resid 79 and name HB1) (resid 80 and name HN) 3.287 1.351 1.351 weight 1.000 ! spec=HCH, no=2687, id=5650, vol=1.020000e+07
assign (resid 83 and name HN) (resid 79 and name HD12) 3.151 1.241 1.241 weight 1.000 ! spec=HCH, no=2691, id=5654, vol=1.310000e+07
    or (resid 83 and name HN) (resid 79 and name HD11)
    or (resid 83 and name HN) (resid 79 and name HD13)
assign (resid 79 and name HD12) (resid 86 and name HB1) 3.569 1.592 1.592 weight 1.000 ! spec=HCH, no=2693, id=5656, vol=6.210000e+06
    or (resid 79 and name HD11) (resid 86 and name HB1)
    or (resid 79 and name HD13) (resid 86 and name HB1)
assign (resid 78 and name HG21) (resid 79 and name HD12) 3.135 1.229 1.229 weight 1.000 ! spec=HCH, no=2709, id=5671, vol=1.350000e+07
    or (resid 78 and name HG21) (resid 79 and name HD11)
    or (resid 78 and name HG21) (resid 79 and name HD13)
    or (resid 78 and name HG22) (resid 79 and name HD12)
    or (resid 78 and name HG22) (resid 79 and name HD11)
    or (resid 78 and name HG22) (resid 79 and name HD13)
    or (resid 78 and name HG23) (resid 79 and name HD12)
    or (resid 78 and name HG23) (resid 79 and name HD11)
    or (resid 78 and name HG23) (resid 79 and name HD13)
assign (resid 79 and name HD12) (resid 39 and name HD1) 2.787 0.971 0.971 weight 1.000 ! spec=HCH, no=2712, id=5674, vol=2.740000e+07
    or (resid 79 and name HD11) (resid 39 and name HD1)
    or (resid 79 and name HD13) (resid 39 and name HD1)
assign (resid 79 and name HN) (resid 79 and name HD12) 2.852 1.017 1.017 weight 1.000 ! spec=HCH, no=2713, id=5675, vol=2.380000e+07
    or (resid 79 and name HN) (resid 79 and name HD11)
    or (resid 79 and name HN) (resid 79 and name HD13)
assign (resid 79 and name HA) (resid 79 and name HD12) 2.190 0.600 0.600 weight 1.000 ! spec=HCH, no=2714, id=5676, vol=1.160000e+08
    or (resid 79 and name HA) (resid 79 and name HD11)
    or (resid 79 and name HA) (resid 79 and name HD13)
assign (resid 79 and name HB2) (resid 79 and name HD12) 2.354 0.693 0.693 weight 1.000 ! spec=HCH, no=2715, id=5677, vol=7.530000e+07
    or (resid 79 and name HB2) (resid 79 and name HD11)
    or (resid 79 and name HB2) (resid 79 and name HD13)
assign (resid 79 and name HB1) (resid 79 and name HD12) 2.549 0.812 0.812 weight 1.000 ! spec=HCH, no=2716, id=5678, vol=4.680000e+07
    or (resid 79 and name HB1) (resid 79 and name HD11)
    or (resid 79 and name HB1) (resid 79 and name HD13)
assign (resid 79 and name HD12) (resid 79 and name HG) 2.225 0.619 0.619 weight 1.000 ! spec=HCH, no=2717, id=5679, vol=1.060000e+08
    or (resid 79 and name HD11) (resid 79 and name HG)
    or (resid 79 and name HD13) (resid 79 and name HG)
assign (resid 79 and name HD12) (resid 79 and name HD11) 1.303 0.212 0.212 weight 1.000 ! spec=HCH, no=2718, id=5680, vol=2.620000e+09
    or (resid 79 and name HD12) (resid 79 and name HD13)
    or (resid 79 and name HD12) (resid 79 and name HD11)
    or (resid 79 and name HD11) (resid 79 and name HD13)
    or (resid 79 and name HD12) (resid 79 and name HD13)
    or (resid 79 and name HD11) (resid 79 and name HD13)
assign (resid 79 and name HD12) (resid 79 and name HD22) 1.914 0.458 0.458 weight 1.000 ! spec=HCH, no=2719, id=5681, vol=2.610000e+08
    or (resid 79 and name HD12) (resid 79 and name HD21)
    or (resid 79 and name HD12) (resid 79 and name HD23)
    or (resid 79 and name HD11) (resid 79 and name HD22)
    or (resid 79 and name HD11) (resid 79 and name HD21)
    or (resid 79 and name HD11) (resid 79 and name HD23)
    or (resid 79 and name HD13) (resid 79 and name HD22)
    or (resid 79 and name HD13) (resid 79 and name HD21)
    or (resid 79 and name HD13) (resid 79 and name HD23)
assign (resid 79 and name HD12) (resid 81 and name HN) 3.743 1.751 1.751 weight 1.000 ! spec=HCH, no=2721, id=5683, vol=4.660000e+06
    or (resid 79 and name HD11) (resid 81 and name HN)
    or (resid 79 and name HD13) (resid 81 and name HN)
assign (resid 79 and name HD12) (resid 83 and name HB2) 2.336 0.682 0.682 weight 1.000 ! spec=HCH, no=2722, id=5684, vol=7.890000e+07
    or (resid 79 and name HD11) (resid 83 and name HB2)
    or (resid 79 and name HD13) (resid 83 and name HB2)
assign (resid 79 and name HD12) (resid 86 and name HD2) 2.781 0.967 0.967 weight 1.000 ! spec=HCH, no=2725, id=5687, vol=2.770000e+07
    or (resid 79 and name HD11) (resid 86 and name HD2)
    or (resid 79 and name HD13) (resid 86 and name HD2)
assign (resid 79 and name HD12) (resid 89 and name HN) 4.043 2.043 2.043 weight 1.000 ! spec=HCH, no=2726, id=5688, vol=2.940000e+06
    or (resid 79 and name HD11) (resid 89 and name HN)
    or (resid 79 and name HD13) (resid 89 and name HN)
assign (resid 79 and name HD12) (resid 89 and name HG22) 2.458 0.755 0.755 weight 1.000 ! spec=HCH, no=2727, id=5689, vol=5.810000e+07
    or (resid 79 and name HD12) (resid 89 and name HG21)
    or (resid 79 and name HD12) (resid 89 and name HG23)
    or (resid 79 and name HD11) (resid 89 and name HG22)
    or (resid 79 and name HD11) (resid 89 and name HG21)
    or (resid 79 and name HD11) (resid 89 and name HG23)
    or (resid 79 and name HD13) (resid 89 and name HG22)
    or (resid 79 and name HD13) (resid 89 and name HG21)
    or (resid 79 and name HD13) (resid 89 and name HG23)
assign (resid 79 and name HD12) (resid 152 and name HA) 4.123 2.125 2.125 weight 1.000 ! spec=HCH, no=2728, id=5690, vol=2.610000e+06
    or (resid 79 and name HD11) (resid 152 and name HA)
    or (resid 79 and name HD13) (resid 152 and name HA)
assign (resid 79 and name HD22) (resid 83 and name HB2) 3.233 1.307 1.307 weight 1.000 ! spec=HCH, no=2729, id=5691, vol=1.120000e+07
    or (resid 79 and name HD22) (resid 83 and name HB1)
    or (resid 79 and name HD21) (resid 83 and name HB2)
    or (resid 79 and name HD21) (resid 83 and name HB1)
    or (resid 79 and name HD23) (resid 83 and name HB2)
    or (resid 79 and name HD23) (resid 83 and name HB1)
assign (resid 79 and name HB1) (resid 79 and name HD22) 2.511 0.788 0.788 weight 1.000 ! spec=HCH, no=2730, id=5692, vol=5.110000e+07
    or (resid 79 and name HB1) (resid 79 and name HD21)
    or (resid 79 and name HB1) (resid 79 and name HD23)
assign (resid 79 and name HD22) (resid 83 and name HZ3) 3.607 1.627 1.627 weight 1.000 ! spec=HCH, no=2731, id=5693, vol=5.820000e+06
    or (resid 79 and name HD21) (resid 83 and name HZ3)
    or (resid 79 and name HD23) (resid 83 and name HZ3)
assign (resid 79 and name HD22) (resid 78 and name HG21) 3.621 1.639 1.639 weight 1.000 ! spec=HCH, no=2735, id=5697, vol=5.690000e+06
    or (resid 79 and name HD22) (resid 78 and name HG22)
    or (resid 79 and name HD22) (resid 78 and name HG23)
    or (resid 79 and name HD21) (resid 78 and name HG21)
    or (resid 79 and name HD21) (resid 78 and name HG22)
    or (resid 79 and name HD21) (resid 78 and name HG23)
    or (resid 79 and name HD23) (resid 78 and name HG21)
    or (resid 79 and name HD23) (resid 78 and name HG22)
    or (resid 79 and name HD23) (resid 78 and name HG23)
assign (resid 79 and name HD22) (resid 76 and name HA) 2.840 1.008 1.008 weight 1.000 ! spec=HCH, no=2736, id=5698, vol=2.440000e+07
    or (resid 79 and name HD21) (resid 76 and name HA)
    or (resid 79 and name HD23) (resid 76 and name HA)
assign (resid 79 and name HD22) (resid 76 and name HN) 3.558 1.583 1.583 weight 1.000 ! spec=HCH, no=2738, id=5700, vol=6.320000e+06
    or (resid 79 and name HD21) (resid 76 and name HN)
    or (resid 79 and name HD23) (resid 76 and name HN)
assign (resid 79 and name HD22) (resid 75 and name HN) 3.720 1.730 1.730 weight 1.000 ! spec=HCH, no=2740, id=5701, vol=4.840000e+06
    or (resid 79 and name HD21) (resid 75 and name HN)
    or (resid 79 and name HD23) (resid 75 and name HN)
assign (resid 79 and name HD22) (resid 78 and name HB) 3.711 1.722 1.722 weight 1.000 ! spec=HCH, no=2741, id=5702, vol=4.910000e+06
    or (resid 79 and name HD21) (resid 78 and name HB)
    or (resid 79 and name HD23) (resid 78 and name HB)
assign (resid 79 and name HB2) (resid 79 and name HD22) 2.543 0.809 0.809 weight 1.000 ! spec=HCH, no=2744, id=5705, vol=4.740000e+07
    or (resid 79 and name HB2) (resid 79 and name HD21)
    or (resid 79 and name HB2) (resid 79 and name HD23)
assign (resid 79 and name HD22) (resid 79 and name HG) 2.241 0.628 0.628 weight 1.000 ! spec=HCH, no=2745, id=5706, vol=1.010000e+08
    or (resid 79 and name HD21) (resid 79 and name HG)
    or (resid 79 and name HD23) (resid 79 and name HG)
assign (resid 79 and name HD22) (resid 79 and name HD21) 1.463 0.268 0.268 weight 1.000 ! spec=HCH, no=2747, id=5708, vol=1.310000e+09
    or (resid 79 and name HD22) (resid 79 and name HD23)
    or (resid 79 and name HD22) (resid 79 and name HD21)
    or (resid 79 and name HD21) (resid 79 and name HD23)
    or (resid 79 and name HD22) (resid 79 and name HD23)
    or (resid 79 and name HD21) (resid 79 and name HD23)
assign (resid 79 and name HD22) (resid 86 and name HD2) 3.360 1.411 1.411 weight 1.000 ! spec=HCH, no=2748, id=5709, vol=8.920000e+06
    or (resid 79 and name HD21) (resid 86 and name HD2)
    or (resid 79 and name HD23) (resid 86 and name HD2)
assign (resid 79 and name HD22) (resid 89 and name HG12) 2.831 1.002 1.002 weight 1.000 ! spec=HCH, no=2749, id=5710, vol=2.490000e+07
    or (resid 79 and name HD21) (resid 89 and name HG12)
    or (resid 79 and name HD23) (resid 89 and name HG12)
assign (resid 79 and name HD22) (resid 89 and name HG22) 2.505 0.784 0.784 weight 1.000 ! spec=HCH, no=2750, id=5711, vol=5.190000e+07
    or (resid 79 and name HD22) (resid 89 and name HG21)
    or (resid 79 and name HD22) (resid 89 and name HG23)
    or (resid 79 and name HD21) (resid 89 and name HG22)
    or (resid 79 and name HD21) (resid 89 and name HG21)
    or (resid 79 and name HD21) (resid 89 and name HG23)
    or (resid 79 and name HD23) (resid 89 and name HG22)
    or (resid 79 and name HD23) (resid 89 and name HG21)
    or (resid 79 and name HD23) (resid 89 and name HG23)
assign (resid 79 and name HG) (resid 76 and name HA) 3.723 1.732 1.732 weight 1.000 ! spec=HCH, no=2752, id=5713, vol=4.820000e+06
assign (resid 79 and name HG) (resid 83 and name HB2) 3.632 1.649 1.649 weight 1.000 ! spec=HCH, no=2754, id=5715, vol=5.580000e+06
    or (resid 79 and name HG) (resid 83 and name HB1)
assign (resid 79 and name HN) (resid 79 and name HG) 3.149 1.239 1.239 weight 1.000 ! spec=HCH, no=2756, id=5717, vol=1.320000e+07
assign (resid 80 and name HA) (resid 80 and name HE2) 3.335 1.390 1.390 weight 1.000 ! spec=HCH, no=2761, id=5721, vol=9.320000e+06
    or (resid 80 and name HA) (resid 80 and name HE1)
assign (resid 80 and name HA) (resid 80 and name HG2) 2.445 0.748 0.748 weight 1.000 ! spec=HCH, no=2765, id=5725, vol=6.000000e+07
assign (resid 80 and name HA) (resid 79 and name HN) 3.703 1.714 1.714 weight 1.000 ! spec=HCH, no=2771, id=5731, vol=4.970000e+06
assign (resid 80 and name HN) (resid 80 and name HA) 2.608 0.850 0.850 weight 1.000 ! spec=HCH, no=2772, id=5732, vol=4.080000e+07
assign (resid 80 and name HA) (resid 80 and name HB2) 2.265 0.642 0.642 weight 1.000 ! spec=HCH, no=2774, id=5733, vol=9.480000e+07
assign (resid 80 and name HA) (resid 80 and name HB1) 2.286 0.653 0.653 weight 1.000 ! spec=HCH, no=2775, id=5734, vol=8.990000e+07
assign (resid 81 and name HN) (resid 80 and name HA) 2.926 1.070 1.070 weight 1.000 ! spec=HCH, no=2776, id=5735, vol=2.040000e+07
assign (resid 80 and name HB2) (resid 80 and name HD2) 2.215 0.613 0.613 weight 1.000 ! spec=HCH, no=2780, id=5739, vol=1.080000e+08
    or (resid 80 and name HB2) (resid 80 and name HD1)
assign (resid 80 and name HB1) (resid 80 and name HN) 2.771 0.960 0.960 weight 1.000 ! spec=HCH, no=2783, id=5742, vol=2.830000e+07
assign (resid 80 and name HB1) (resid 80 and name HE2) 3.249 1.319 1.319 weight 1.000 ! spec=HCH, no=2788, id=5746, vol=1.090000e+07
assign (resid 80 and name HB2) (resid 81 and name HN) 3.061 1.171 1.171 weight 1.000 ! spec=HCH, no=2789, id=5747, vol=1.560000e+07
assign (resid 80 and name HB1) (resid 81 and name HN) 3.033 1.150 1.150 weight 1.000 ! spec=HCH, no=2790, id=5748, vol=1.650000e+07
assign (resid 80 and name HB1) (resid 133 and name HG22) 3.191 1.273 1.273 weight 1.000 ! spec=HCH, no=2793, id=5751, vol=1.210000e+07
    or (resid 80 and name HB1) (resid 133 and name HG21)
    or (resid 80 and name HB1) (resid 133 and name HG23)
assign (resid 80 and name HD2) (resid 80 and name HE2) 2.395 0.717 0.717 weight 1.000 ! spec=HCH, no=2799, id=5756, vol=6.800000e+07
assign (resid 80 and name HD2) (resid 85 and name HA2) 3.255 1.324 1.324 weight 1.000 ! spec=HCH, no=2800, id=5757, vol=1.080000e+07
assign (resid 77 and name HA) (resid 80 and name HE2) 3.078 1.185 1.185 weight 1.000 ! spec=HCH, no=2803, id=5760, vol=1.510000e+07
assign (resid 80 and name HN) (resid 80 and name HE2) 3.230 1.304 1.304 weight 1.000 ! spec=HCH, no=2806, id=5763, vol=1.130000e+07
assign (resid 80 and name HB2) (resid 80 and name HE2) 2.526 0.798 0.798 weight 1.000 ! spec=HCH, no=2811, id=5768, vol=4.940000e+07
assign (resid 80 and name HE2) (resid 80 and name HG2) 2.538 0.805 0.805 weight 1.000 ! spec=HCH, no=2812, id=5769, vol=4.800000e+07
assign (resid 80 and name HE2) (resid 81 and name HN) 3.660 1.674 1.674 weight 1.000 ! spec=HCH, no=2815, id=5771, vol=5.330000e+06
assign (resid 80 and name HG1) (resid 80 and name HN) 3.019 1.139 1.139 weight 1.000 ! spec=HCH, no=2825, id=5781, vol=1.690000e+07
assign (resid 80 and name HG1) (resid 80 and name HA) 3.009 1.132 1.132 weight 1.000 ! spec=HCH, no=2827, id=5783, vol=1.730000e+07
assign (resid 80 and name HB2) (resid 80 and name HG2) 2.336 0.682 0.682 weight 1.000 ! spec=HCH, no=2828, id=5784, vol=7.890000e+07
assign (resid 80 and name HG1) (resid 80 and name HB2) 2.420 0.732 0.732 weight 1.000 ! spec=HCH, no=2829, id=5785, vol=6.380000e+07
assign (resid 80 and name HB1) (resid 80 and name HG2) 2.303 0.663 0.663 weight 1.000 ! spec=HCH, no=2830, id=5786, vol=8.600000e+07
assign (resid 80 and name HG1) (resid 80 and name HB1) 2.437 0.742 0.742 weight 1.000 ! spec=HCH, no=2831, id=5787, vol=6.130000e+07
assign (resid 80 and name HG1) (resid 80 and name HG2) 1.886 0.445 0.445 weight 1.000 ! spec=HCH, no=2833, id=5789, vol=2.850000e+08
assign (resid 80 and name HE2) (resid 80 and name HG1) 3.162 1.250 1.250 weight 1.000 ! spec=HCH, no=2836, id=5791, vol=1.280000e+07
assign (resid 81 and name HN) (resid 80 and name HG1) 3.947 1.947 1.947 weight 1.000 ! spec=HCH, no=2837, id=5792, vol=3.390000e+06
assign (resid 81 and name HA) (resid 81 and name HG2) 2.522 0.795 0.795 weight 1.000 ! spec=HCH, no=2839, id=5794, vol=4.990000e+07
assign (resid 81 and name HA) (resid 81 and name HB1) 2.266 0.642 0.642 weight 1.000 ! spec=HCH, no=2842, id=5797, vol=9.460000e+07
assign (resid 81 and name HA) (resid 81 and name HG1) 2.792 0.974 0.974 weight 1.000 ! spec=HCH, no=2843, id=5798, vol=2.710000e+07
assign (resid 81 and name HB1) (resid 81 and name HG2) 2.444 0.747 0.747 weight 1.000 ! spec=HCH, no=2851, id=5806, vol=6.010000e+07
assign (resid 81 and name HB1) (resid 78 and name HA) 3.435 1.475 1.475 weight 1.000 ! spec=HCH, no=2853, id=5808, vol=7.810000e+06
assign (resid 81 and name HB1) (resid 80 and name HN) 3.391 1.437 1.437 weight 1.000 ! spec=HCH, no=2854, id=5809, vol=8.430000e+06
assign (resid 81 and name HB2) (resid 81 and name HA) 2.664 0.887 0.887 weight 1.000 ! spec=HCH, no=2857, id=5812, vol=3.590000e+07
assign (resid 81 and name HB2) (resid 82 and name HN) 2.979 1.110 1.110 weight 1.000 ! spec=HCH, no=2859, id=5814, vol=1.830000e+07
assign (resid 81 and name HB1) (resid 82 and name HN) 2.946 1.085 1.085 weight 1.000 ! spec=HCH, no=2860, id=5815, vol=1.960000e+07
assign (resid 78 and name HA) (resid 81 and name HD2) 3.533 1.560 1.560 weight 1.000 ! spec=HCH, no=2862, id=5817, vol=6.590000e+06
assign (resid 81 and name HD2) (resid 77 and name HB2) 3.340 1.395 1.395 weight 1.000 ! spec=HCH, no=2863, id=5818, vol=9.230000e+06
assign (resid 81 and name HE2) (resid 81 and name HN) 3.635 1.652 1.652 weight 1.000 ! spec=HCH, no=2867, id=5822, vol=5.560000e+06
assign (resid 81 and name HE2) (resid 78 and name HA) 3.077 1.184 1.184 weight 1.000 ! spec=HCH, no=2873, id=5827, vol=1.510000e+07
assign (resid 81 and name HA) (resid 81 and name HE2) 3.267 1.335 1.335 weight 1.000 ! spec=HCH, no=2874, id=5828, vol=1.050000e+07
assign (resid 81 and name HE2) (resid 81 and name HG1) 2.563 0.821 0.821 weight 1.000 ! spec=HCH, no=2875, id=5829, vol=4.530000e+07
assign (resid 81 and name HE2) (resid 81 and name HD2) 2.234 0.624 0.624 weight 1.000 ! spec=HCH, no=2876, id=5830, vol=1.030000e+08
assign (resid 82 and name HE21) (resid 81 and name HE2) 3.437 1.477 1.477 weight 1.000 ! spec=HCH, no=2878, id=5831, vol=7.780000e+06
assign (resid 81 and name HE2) (resid 81 and name HG1) 3.041 1.156 1.156 weight 1.000 ! spec=HCH, no=2880, id=5833, vol=1.620000e+07
    or (resid 81 and name HG1) (resid 81 and name HE1)
assign (resid 81 and name HN) (resid 81 and name HG1) 3.104 1.204 1.204 weight 1.000 ! spec=HCH, no=2885, id=5838, vol=1.430000e+07
assign (resid 81 and name HG2) (resid 82 and name HN) 3.499 1.531 1.531 weight 1.000 ! spec=HCH, no=2889, id=5841, vol=6.980000e+06
assign (resid 81 and name HG1) (resid 82 and name HN) 3.080 1.186 1.186 weight 1.000 ! spec=HCH, no=2890, id=5842, vol=1.500000e+07
assign (resid 82 and name HA) (resid 82 and name HN) 2.574 0.828 0.828 weight 1.000 ! spec=HCH, no=2893, id=5845, vol=4.410000e+07
assign (resid 82 and name HA) (resid 82 and name HB2) 2.550 0.813 0.813 weight 1.000 ! spec=HCH, no=2894, id=5846, vol=4.660000e+07
assign (resid 82 and name HA) (resid 82 and name HB1) 2.409 0.725 0.725 weight 1.000 ! spec=HCH, no=2895, id=5847, vol=6.560000e+07
assign (resid 82 and name HA) (resid 82 and name HG2) 2.718 0.923 0.923 weight 1.000 ! spec=HCH, no=2896, id=5848, vol=3.180000e+07
assign (resid 82 and name HA) (resid 82 and name HG1) 2.638 0.870 0.870 weight 1.000 ! spec=HCH, no=2897, id=5849, vol=3.810000e+07
assign (resid 82 and name HA) (resid 83 and name HN) 2.645 0.875 0.875 weight 1.000 ! spec=HCH, no=2898, id=5850, vol=3.740000e+07
assign (resid 82 and name HB1) (resid 81 and name HN) 3.910 1.911 1.911 weight 1.000 ! spec=HCH, no=2901, id=5853, vol=3.590000e+06
assign (resid 82 and name HB2) (resid 82 and name HG2) 2.568 0.824 0.824 weight 1.000 ! spec=HCH, no=2904, id=5856, vol=4.470000e+07
assign (resid 83 and name HN) (resid 82 and name HB2) 2.759 0.952 0.952 weight 1.000 ! spec=HCH, no=2905, id=5857, vol=2.910000e+07
assign (resid 83 and name HN) (resid 82 and name HB1) 2.825 0.997 0.997 weight 1.000 ! spec=HCH, no=2906, id=5858, vol=2.520000e+07
assign (resid 82 and name HG2) (resid 78 and name HG21) 3.320 1.378 1.378 weight 1.000 ! spec=HCH, no=2907, id=5859, vol=9.570000e+06
    or (resid 82 and name HG2) (resid 78 and name HG22)
    or (resid 82 and name HG2) (resid 78 and name HG23)
assign (resid 82 and name HG1) (resid 30 and name HD12) 3.074 1.181 1.181 weight 1.000 ! spec=HCH, no=2912, id=5864, vol=1.520000e+07
    or (resid 82 and name HG1) (resid 30 and name HD11)
    or (resid 82 and name HG1) (resid 30 and name HD13)
assign (resid 82 and name HG1) (resid 28 and name HG21) 3.598 1.618 1.618 weight 1.000 ! spec=HCH, no=2913, id=5865, vol=5.910000e+06
    or (resid 82 and name HG1) (resid 28 and name HG22)
    or (resid 82 and name HG1) (resid 28 and name HG23)
assign (resid 82 and name HG1) (resid 82 and name HB2) 2.722 0.926 0.926 weight 1.000 ! spec=HCH, no=2914, id=5866, vol=3.150000e+07
assign (resid 82 and name HG2) (resid 30 and name HG12) 3.434 1.474 1.474 weight 1.000 ! spec=HCH, no=2916, id=5868, vol=7.810000e+06
assign (resid 82 and name HG1) (resid 30 and name HG12) 3.576 1.598 1.598 weight 1.000 ! spec=HCH, no=2917, id=5869, vol=6.130000e+06
assign (resid 82 and name HG2) (resid 30 and name HG11) 2.478 0.768 0.768 weight 1.000 ! spec=HCH, no=2918, id=5870, vol=5.540000e+07
assign (resid 84 and name HN) (resid 83 and name HA) 2.637 0.869 0.869 weight 1.000 ! spec=HCH, no=2935, id=5886, vol=3.810000e+07
assign (resid 84 and name HN) (resid 83 and name HB2) 3.612 1.631 1.631 weight 1.000 ! spec=HCH, no=2936, id=5887, vol=5.770000e+06
assign (resid 79 and name HD22) (resid 83 and name HB2) 3.325 1.382 1.382 weight 1.000 ! spec=HCH, no=2943, id=5894, vol=9.490000e+06
    or (resid 79 and name HD21) (resid 83 and name HB2)
    or (resid 79 and name HD23) (resid 83 and name HB2)
assign (resid 83 and name HB2) (resid 83 and name HA) 2.867 1.028 1.028 weight 1.000 ! spec=HCH, no=2945, id=5896, vol=2.310000e+07
assign (resid 83 and name HB2) (resid 84 and name HA) 3.827 1.830 1.830 weight 1.000 ! spec=HCH, no=2947, id=5897, vol=4.080000e+06
assign (resid 84 and name HN) (resid 84 and name HA) 2.491 0.776 0.776 weight 1.000 ! spec=HCH, no=2951, id=5901, vol=5.370000e+07
assign (resid 84 and name HA) (resid 84 and name HB1) 2.324 0.675 0.675 weight 1.000 ! spec=HCH, no=2952, id=5902, vol=8.140000e+07
assign (resid 84 and name HA) (resid 84 and name HG2) 2.515 0.791 0.791 weight 1.000 ! spec=HCH, no=2954, id=5904, vol=5.060000e+07
assign (resid 85 and name HN) (resid 84 and name HA) 2.625 0.862 0.862 weight 1.000 ! spec=HCH, no=2955, id=5905, vol=3.920000e+07
assign (resid 84 and name HA) (resid 85 and name HA2) 3.411 1.455 1.455 weight 1.000 ! spec=HCH, no=2956, id=5906, vol=8.140000e+06
assign (resid 84 and name HB2) (resid 84 and name HN) 3.055 1.166 1.166 weight 1.000 ! spec=HCH, no=2960, id=5910, vol=1.580000e+07
assign (resid 84 and name HB2) (resid 84 and name HA) 2.718 0.923 0.923 weight 1.000 ! spec=HCH, no=2961, id=5911, vol=3.180000e+07
assign (resid 84 and name HB2) (resid 84 and name HG2) 2.498 0.780 0.780 weight 1.000 ! spec=HCH, no=2962, id=5912, vol=5.280000e+07
assign (resid 84 and name HD2) (resid 84 and name HE2) 2.303 0.663 0.663 weight 1.000 ! spec=HCH, no=2966, id=5916, vol=8.610000e+07
    or (resid 84 and name HD2) (resid 84 and name HE1)
assign (resid 84 and name HD2) (resid 84 and name HN) 3.343 1.397 1.397 weight 1.000 ! spec=HCH, no=2969, id=5919, vol=9.190000e+06
assign (resid 84 and name HE2) (resid 84 and name HB1) 2.360 0.696 0.696 weight 1.000 ! spec=HCH, no=2980, id=5927, vol=7.420000e+07
assign (resid 84 and name HE2) (resid 84 and name HG2) 2.474 0.765 0.765 weight 1.000 ! spec=HCH, no=2981, id=5928, vol=5.590000e+07
assign (resid 84 and name HG2) (resid 83 and name HA) 3.805 1.810 1.810 weight 1.000 ! spec=HCH, no=2985, id=5932, vol=4.220000e+06
assign (resid 84 and name HG2) (resid 84 and name HB1) 2.207 0.609 0.609 weight 1.000 ! spec=HCH, no=2995, id=5942, vol=1.110000e+08
assign (resid 84 and name HG2) (resid 84 and name HD2) 2.114 0.559 0.559 weight 1.000 ! spec=HCH, no=2996, id=5943, vol=1.440000e+08
assign (resid 85 and name HN) (resid 84 and name HG2) 3.584 1.605 1.605 weight 1.000 ! spec=HCH, no=2998, id=5945, vol=6.060000e+06
assign (resid 85 and name HA2) (resid 79 and name HB2) 3.729 1.738 1.738 weight 1.000 ! spec=HCH, no=3000, id=5947, vol=4.770000e+06
assign (resid 85 and name HA2) (resid 133 and name HD12) 3.576 1.599 1.599 weight 1.000 ! spec=HCH, no=3002, id=5949, vol=6.130000e+06
    or (resid 85 and name HA2) (resid 133 and name HD11)
    or (resid 85 and name HA2) (resid 133 and name HD13)
assign (resid 85 and name HA1) (resid 86 and name HG1) 3.453 1.490 1.490 weight 1.000 ! spec=HCH, no=3004, id=5951, vol=7.570000e+06
assign (resid 85 and name HA2) (resid 79 and name HG) 3.678 1.691 1.691 weight 1.000 ! spec=HCH, no=3009, id=5956, vol=5.180000e+06
assign (resid 85 and name HA1) (resid 79 and name HG) 3.406 1.450 1.450 weight 1.000 ! spec=HCH, no=3010, id=5957, vol=8.220000e+06
assign (resid 79 and name HD12) (resid 85 and name HA2) 3.411 1.454 1.454 weight 1.000 ! spec=HCH, no=3011, id=5958, vol=8.140000e+06
    or (resid 79 and name HD11) (resid 85 and name HA2)
    or (resid 79 and name HD13) (resid 85 and name HA2)
assign (resid 85 and name HA1) (resid 79 and name HD12) 3.538 1.565 1.565 weight 1.000 ! spec=HCH, no=3012, id=5959, vol=6.540000e+06
    or (resid 85 and name HA1) (resid 79 and name HD11)
    or (resid 85 and name HA1) (resid 79 and name HD13)
assign (resid 85 and name HN) (resid 85 and name HA2) 2.940 1.081 1.081 weight 1.000 ! spec=HCH, no=3013, id=5960, vol=1.980000e+07
assign (resid 85 and name HN) (resid 85 and name HA1) 2.972 1.104 1.104 weight 1.000 ! spec=HCH, no=3014, id=5961, vol=1.860000e+07
assign (resid 85 and name HA1) (resid 85 and name HA2) 2.122 0.563 0.563 weight 1.000 ! spec=HCH, no=3016, id=5962, vol=1.400000e+08
assign (resid 85 and name HA1) (resid 86 and name HD2) 2.102 0.553 0.553 weight 1.000 ! spec=HCH, no=3019, id=5964, vol=1.480000e+08
assign (resid 85 and name HA1) (resid 133 and name HG12) 3.468 1.504 1.504 weight 1.000 ! spec=HCH, no=3022, id=5967, vol=7.360000e+06
assign (resid 86 and name HA) (resid 86 and name HB1) 2.390 0.714 0.714 weight 1.000 ! spec=HCH, no=3028, id=5972, vol=6.880000e+07
assign (resid 86 and name HB1) (resid 39 and name HZ) 3.924 1.925 1.925 weight 1.000 ! spec=HCH, no=3032, id=5976, vol=3.510000e+06
assign (resid 86 and name HB1) (resid 85 and name HN) 3.247 1.318 1.318 weight 1.000 ! spec=HCH, no=3036, id=5980, vol=1.090000e+07
assign (resid 86 and name HB1) (resid 85 and name HA1) 3.519 1.548 1.548 weight 1.000 ! spec=HCH, no=3038, id=5982, vol=6.750000e+06
assign (resid 86 and name HA) (resid 86 and name HB2) 2.592 0.840 0.840 weight 1.000 ! spec=HCH, no=3039, id=5983, vol=4.230000e+07
assign (resid 86 and name HB1) (resid 86 and name HB2) 2.016 0.508 0.508 weight 1.000 ! spec=HCH, no=3043, id=5986, vol=1.910000e+08
assign (resid 86 and name HB2) (resid 86 and name HD2) 3.108 1.207 1.207 weight 1.000 ! spec=HCH, no=3045, id=5987, vol=1.420000e+07
assign (resid 86 and name HB1) (resid 86 and name HD2) 3.170 1.256 1.256 weight 1.000 ! spec=HCH, no=3046, id=5988, vol=1.260000e+07
assign (resid 86 and name HB2) (resid 86 and name HD1) 3.123 1.219 1.219 weight 1.000 ! spec=HCH, no=3047, id=5989, vol=1.380000e+07
assign (resid 86 and name HB2) (resid 86 and name HG2) 2.434 0.741 0.741 weight 1.000 ! spec=HCH, no=3049, id=5991, vol=6.160000e+07
assign (resid 86 and name HB1) (resid 86 and name HG2) 2.635 0.868 0.868 weight 1.000 ! spec=HCH, no=3050, id=5992, vol=3.830000e+07
assign (resid 85 and name HN) (resid 86 and name HD1) 3.615 1.633 1.633 weight 1.000 ! spec=HCH, no=3058, id=6000, vol=5.750000e+06
assign (resid 86 and name HD1) (resid 39 and name HZ) 3.137 1.230 1.230 weight 1.000 ! spec=HCH, no=3061, id=6003, vol=1.350000e+07
assign (resid 86 and name HD2) (resid 79 and name HB2) 3.697 1.709 1.709 weight 1.000 ! spec=HCH, no=3062, id=6004, vol=5.020000e+06
assign (resid 86 and name HD1) (resid 79 and name HB2) 3.670 1.684 1.684 weight 1.000 ! spec=HCH, no=3063, id=6005, vol=5.240000e+06
assign (resid 86 and name HD2) (resid 79 and name HB1) 2.890 1.044 1.044 weight 1.000 ! spec=HCH, no=3064, id=6006, vol=2.200000e+07
assign (resid 86 and name HD1) (resid 79 and name HD12) 3.643 1.659 1.659 weight 1.000 ! spec=HCH, no=3066, id=6008, vol=5.490000e+06
    or (resid 86 and name HD1) (resid 79 and name HD11)
    or (resid 86 and name HD1) (resid 79 and name HD13)
assign (resid 86 and name HD2) (resid 80 and name HG2) 3.697 1.709 1.709 weight 1.000 ! spec=HCH, no=3067, id=6009, vol=5.020000e+06
assign (resid 86 and name HD2) (resid 85 and name HN) 3.501 1.532 1.532 weight 1.000 ! spec=HCH, no=3069, id=6011, vol=6.960000e+06
assign (resid 85 and name HA1) (resid 86 and name HD1) 2.595 0.842 0.842 weight 1.000 ! spec=HCH, no=3072, id=6014, vol=4.200000e+07
assign (resid 86 and name HD2) (resid 86 and name HA) 3.602 1.622 1.622 weight 1.000 ! spec=HCH, no=3073, id=6015, vol=5.870000e+06
assign (resid 86 and name HD1) (resid 86 and name HA) 3.374 1.423 1.423 weight 1.000 ! spec=HCH, no=3074, id=6016, vol=8.700000e+06
assign (resid 86 and name HB1) (resid 86 and name HD1) 3.081 1.186 1.186 weight 1.000 ! spec=HCH, no=3075, id=6017, vol=1.500000e+07
assign (resid 86 and name HD1) (resid 86 and name HD2) 2.059 0.530 0.530 weight 1.000 ! spec=HCH, no=3076, id=6018, vol=1.680000e+08
assign (resid 86 and name HD2) (resid 86 and name HG2) 2.672 0.893 0.893 weight 1.000 ! spec=HCH, no=3077, id=6019, vol=3.520000e+07
assign (resid 86 and name HD1) (resid 86 and name HG2) 2.748 0.944 0.944 weight 1.000 ! spec=HCH, no=3078, id=6020, vol=2.980000e+07
assign (resid 86 and name HD2) (resid 86 and name HG1) 2.670 0.891 0.891 weight 1.000 ! spec=HCH, no=3079, id=6021, vol=3.540000e+07
assign (resid 86 and name HD1) (resid 86 and name HG1) 2.596 0.842 0.842 weight 1.000 ! spec=HCH, no=3080, id=6022, vol=4.190000e+07
assign (resid 86 and name HD1) (resid 89 and name HG22) 3.720 1.730 1.730 weight 1.000 ! spec=HCH, no=3082, id=6024, vol=4.840000e+06
    or (resid 86 and name HD1) (resid 89 and name HG21)
    or (resid 86 and name HD1) (resid 89 and name HG23)
assign (resid 86 and name HG2) (resid 89 and name HA) 4.010 2.010 2.010 weight 1.000 ! spec=HCH, no=3084, id=6026, vol=3.090000e+06
assign (resid 86 and name HG1) (resid 89 and name HA) 3.960 1.961 1.961 weight 1.000 ! spec=HCH, no=3094, id=6036, vol=3.320000e+06
assign (resid 86 and name HG2) (resid 39 and name HZ) 3.633 1.650 1.650 weight 1.000 ! spec=HCH, no=3096, id=6038, vol=5.580000e+06
assign (resid 86 and name HG1) (resid 39 and name HZ) 3.607 1.627 1.627 weight 1.000 ! spec=HCH, no=3097, id=6039, vol=5.820000e+06
assign (resid 86 and name HG2) (resid 79 and name HD12) 3.901 1.902 1.902 weight 1.000 ! spec=HCH, no=3098, id=6040, vol=3.640000e+06
    or (resid 86 and name HG2) (resid 79 and name HD11)
    or (resid 86 and name HG2) (resid 79 and name HD13)
assign (resid 86 and name HG1) (resid 79 and name HD12) 3.795 1.800 1.800 weight 1.000 ! spec=HCH, no=3099, id=6041, vol=4.290000e+06
    or (resid 86 and name HG1) (resid 79 and name HD11)
    or (resid 86 and name HG1) (resid 79 and name HD13)
assign (resid 86 and name HG2) (resid 85 and name HN) 3.607 1.627 1.627 weight 1.000 ! spec=HCH, no=3100, id=6042, vol=5.820000e+06
assign (resid 86 and name HG2) (resid 85 and name HA1) 3.796 1.801 1.801 weight 1.000 ! spec=HCH, no=3101, id=6043, vol=4.290000e+06
assign (resid 86 and name HG2) (resid 86 and name HA) 3.556 1.581 1.581 weight 1.000 ! spec=HCH, no=3103, id=6045, vol=6.340000e+06
assign (resid 86 and name HG1) (resid 86 and name HA) 3.269 1.336 1.336 weight 1.000 ! spec=HCH, no=3104, id=6046, vol=1.050000e+07
assign (resid 86 and name HG1) (resid 86 and name HB1) 2.540 0.806 0.806 weight 1.000 ! spec=HCH, no=3106, id=6048, vol=4.780000e+07
assign (resid 86 and name HG1) (resid 86 and name HG2) 2.102 0.552 0.552 weight 1.000 ! spec=HCH, no=3112, id=6053, vol=1.490000e+08
assign (resid 86 and name HG1) (resid 87 and name HN) 3.641 1.657 1.657 weight 1.000 ! spec=HCH, no=3116, id=6056, vol=5.510000e+06
assign (resid 86 and name HG2) (resid 89 and name HD12) 3.240 1.313 1.313 weight 1.000 ! spec=HCH, no=3118, id=6058, vol=1.110000e+07
    or (resid 86 and name HG2) (resid 89 and name HD11)
    or (resid 86 and name HG2) (resid 89 and name HD13)
assign (resid 86 and name HG1) (resid 89 and name HG22) 3.513 1.543 1.543 weight 1.000 ! spec=HCH, no=3121, id=6061, vol=6.820000e+06
    or (resid 86 and name HG1) (resid 89 and name HG21)
    or (resid 86 and name HG1) (resid 89 and name HG23)
assign (resid 87 and name HA) (resid 88 and name HN) 3.092 1.195 1.195 weight 1.000 ! spec=HCH, no=3123, id=6063, vol=1.470000e+07
assign (resid 87 and name HA) (resid 87 and name HB2) 2.309 0.666 0.666 weight 1.000 ! spec=HCH, no=3128, id=6068, vol=8.460000e+07
assign (resid 87 and name HA) (resid 133 and name HB) 2.824 0.997 0.997 weight 1.000 ! spec=HCH, no=3129, id=6069, vol=2.530000e+07
assign (resid 88 and name HA) (resid 87 and name HA) 3.990 1.990 1.990 weight 1.000 ! spec=HCH, no=3138, id=6078, vol=3.180000e+06
assign (resid 133 and name HN) (resid 88 and name HA) 3.135 1.229 1.229 weight 1.000 ! spec=HCH, no=3139, id=6079, vol=1.350000e+07
assign (resid 88 and name HA) (resid 86 and name HG2) 4.162 2.165 2.165 weight 1.000 ! spec=HCH, no=3142, id=6082, vol=2.470000e+06
assign (resid 88 and name HA) (resid 88 and name HB2) 2.550 0.813 0.813 weight 1.000 ! spec=HCH, no=3145, id=6084, vol=4.660000e+07
assign (resid 88 and name HA) (resid 130 and name HB2) 3.325 1.382 1.382 weight 1.000 ! spec=HCH, no=3150, id=6089, vol=9.490000e+06
assign (resid 88 and name HB2) (resid 89 and name HA) 3.931 1.932 1.932 weight 1.000 ! spec=HCH, no=3161, id=6099, vol=3.480000e+06
assign (resid 88 and name HB2) (resid 130 and name HB2) 2.657 0.883 0.883 weight 1.000 ! spec=HCH, no=3163, id=6101, vol=3.640000e+07
assign (resid 88 and name HB2) (resid 132 and name HA) 3.495 1.527 1.527 weight 1.000 ! spec=HCH, no=3165, id=6103, vol=7.040000e+06
assign (resid 89 and name HA) (resid 89 and name HB) 2.685 0.901 0.901 weight 1.000 ! spec=HCH, no=3171, id=6107, vol=3.420000e+07
assign (resid 89 and name HB) (resid 89 and name HG12) 2.824 0.997 0.997 weight 1.000 ! spec=HCH, no=3177, id=6112, vol=2.530000e+07
assign (resid 89 and name HB) (resid 39 and name HD1) 3.975 1.975 1.975 weight 1.000 ! spec=HCH, no=3178, id=6113, vol=3.250000e+06
assign (resid 88 and name HA) (resid 89 and name HB) 3.769 1.776 1.776 weight 1.000 ! spec=HCH, no=3179, id=6114, vol=4.470000e+06
assign (resid 89 and name HN) (resid 89 and name HB) 2.773 0.961 0.961 weight 1.000 ! spec=HCH, no=3180, id=6115, vol=2.820000e+07
assign (resid 89 and name HB) (resid 89 and name HD12) 2.567 0.824 0.824 weight 1.000 ! spec=HCH, no=3184, id=6118, vol=4.480000e+07
    or (resid 89 and name HB) (resid 89 and name HD11)
    or (resid 89 and name HB) (resid 89 and name HD13)
assign (resid 89 and name HB) (resid 130 and name HA) 3.889 1.891 1.891 weight 1.000 ! spec=HCH, no=3186, id=6120, vol=3.710000e+06
assign (resid 89 and name HB) (resid 131 and name HN) 3.600 1.620 1.620 weight 1.000 ! spec=HCH, no=3187, id=6121, vol=5.890000e+06
assign (resid 89 and name HD12) (resid 131 and name HA) 2.903 1.054 1.054 weight 1.000 ! spec=HCH, no=3188, id=6122, vol=2.140000e+07
    or (resid 89 and name HD11) (resid 131 and name HA)
    or (resid 89 and name HD13) (resid 131 and name HA)
assign (resid 89 and name HD12) (resid 131 and name HG) 2.012 0.506 0.506 weight 1.000 ! spec=HCH, no=3190, id=6124, vol=1.930000e+08
    or (resid 89 and name HD11) (resid 131 and name HG)
    or (resid 89 and name HD13) (resid 131 and name HG)
assign (resid 89 and name HD12) (resid 88 and name HB2) 2.835 1.005 1.005 weight 1.000 ! spec=HCH, no=3197, id=6131, vol=2.470000e+07
    or (resid 89 and name HD12) (resid 88 and name HB1)
    or (resid 89 and name HD11) (resid 88 and name HB2)
    or (resid 89 and name HD11) (resid 88 and name HB1)
    or (resid 89 and name HD13) (resid 88 and name HB2)
    or (resid 89 and name HD13) (resid 88 and name HB1)
assign (resid 88 and name HA) (resid 89 and name HD12) 3.015 1.136 1.136 weight 1.000 ! spec=HCH, no=3202, id=6136, vol=1.710000e+07
    or (resid 88 and name HA) (resid 89 and name HD11)
    or (resid 88 and name HA) (resid 89 and name HD13)
assign (resid 89 and name HA) (resid 89 and name HD12) 2.699 0.911 0.911 weight 1.000 ! spec=HCH, no=3204, id=6138, vol=3.320000e+07
    or (resid 89 and name HA) (resid 89 and name HD11)
    or (resid 89 and name HA) (resid 89 and name HD13)
assign (resid 89 and name HD12) (resid 89 and name HG12) 2.164 0.585 0.585 weight 1.000 ! spec=HCH, no=3206, id=6140, vol=1.250000e+08
    or (resid 89 and name HD11) (resid 89 and name HG12)
    or (resid 89 and name HD13) (resid 89 and name HG12)
assign (resid 89 and name HD12) (resid 89 and name HD11) 1.093 0.149 0.149 weight 1.000 ! spec=HCH, no=3207, id=6141, vol=7.540000e+09
    or (resid 89 and name HD12) (resid 89 and name HD13)
    or (resid 89 and name HD12) (resid 89 and name HD11)
    or (resid 89 and name HD11) (resid 89 and name HD13)
    or (resid 89 and name HD12) (resid 89 and name HD13)
    or (resid 89 and name HD11) (resid 89 and name HD13)
assign (resid 89 and name HD12) (resid 130 and name HA) 3.640 1.656 1.656 weight 1.000 ! spec=HCH, no=3209, id=6143, vol=5.510000e+06
    or (resid 89 and name HD11) (resid 130 and name HA)
    or (resid 89 and name HD13) (resid 130 and name HA)
assign (resid 89 and name HG12) (resid 89 and name HA) 3.346 1.400 1.400 weight 1.000 ! spec=HCH, no=3211, id=6144, vol=9.130000e+06
assign (resid 89 and name HB) (resid 89 and name HG11) 2.665 0.888 0.888 weight 1.000 ! spec=HCH, no=3216, id=6149, vol=3.580000e+07
assign (resid 89 and name HG11) (resid 90 and name HA) 3.363 1.414 1.414 weight 1.000 ! spec=HCH, no=3217, id=6150, vol=8.860000e+06
assign (resid 89 and name HG11) (resid 89 and name HN) 3.092 1.195 1.195 weight 1.000 ! spec=HCH, no=3221, id=6154, vol=1.470000e+07
assign (resid 89 and name HG11) (resid 89 and name HA) 3.112 1.210 1.210 weight 1.000 ! spec=HCH, no=3222, id=6155, vol=1.410000e+07
assign (resid 89 and name HG11) (resid 89 and name HG12) 2.177 0.592 0.592 weight 1.000 ! spec=HCH, no=3225, id=6157, vol=1.200000e+08
assign (resid 89 and name HG11) (resid 89 and name HD12) 2.445 0.747 0.747 weight 1.000 ! spec=HCH, no=3228, id=6159, vol=6.010000e+07
    or (resid 89 and name HG11) (resid 89 and name HD11)
    or (resid 89 and name HG11) (resid 89 and name HD13)
assign (resid 89 and name HG12) (resid 131 and name HN) 3.949 1.950 1.950 weight 1.000 ! spec=HCH, no=3230, id=6161, vol=3.380000e+06
assign (resid 89 and name HG11) (resid 131 and name HN) 3.735 1.744 1.744 weight 1.000 ! spec=HCH, no=3231, id=6162, vol=4.730000e+06
assign (resid 89 and name HG22) (resid 89 and name HD12) 1.901 0.452 0.452 weight 1.000 ! spec=HCH, no=3235, id=6165, vol=2.710000e+08
    or (resid 89 and name HG22) (resid 89 and name HD11)
    or (resid 89 and name HG22) (resid 89 and name HD13)
    or (resid 89 and name HG21) (resid 89 and name HD12)
    or (resid 89 and name HG21) (resid 89 and name HD11)
    or (resid 89 and name HG21) (resid 89 and name HD13)
    or (resid 89 and name HG23) (resid 89 and name HD12)
    or (resid 89 and name HG23) (resid 89 and name HD11)
    or (resid 89 and name HG23) (resid 89 and name HD13)
assign (resid 89 and name HG22) (resid 88 and name HN) 3.565 1.589 1.589 weight 1.000 ! spec=HCH, no=3241, id=6171, vol=6.240000e+06
    or (resid 89 and name HG21) (resid 88 and name HN)
    or (resid 89 and name HG23) (resid 88 and name HN)
assign (resid 89 and name HG22) (resid 39 and name HD1) 3.420 1.462 1.462 weight 1.000 ! spec=HCH, no=3246, id=6176, vol=8.010000e+06
    or (resid 89 and name HG22) (resid 39 and name HD2)
    or (resid 89 and name HG21) (resid 39 and name HD1)
    or (resid 89 and name HG21) (resid 39 and name HD2)
    or (resid 89 and name HG23) (resid 39 and name HD1)
    or (resid 89 and name HG23) (resid 39 and name HD2)
assign (resid 89 and name HG22) (resid 89 and name HG11) 2.400 0.720 0.720 weight 1.000 ! spec=HCH, no=3249, id=6179, vol=6.710000e+07
    or (resid 89 and name HG21) (resid 89 and name HG11)
    or (resid 89 and name HG23) (resid 89 and name HG11)
assign (resid 86 and name HD2) (resid 89 and name HG22) 3.146 1.238 1.238 weight 1.000 ! spec=HCH, no=3253, id=6182, vol=1.320000e+07
    or (resid 86 and name HD2) (resid 89 and name HG21)
    or (resid 86 and name HD2) (resid 89 and name HG23)
assign (resid 89 and name HG22) (resid 39 and name HZ) 2.775 0.963 0.963 weight 1.000 ! spec=HCH, no=3256, id=6184, vol=2.810000e+07
    or (resid 89 and name HG21) (resid 39 and name HZ)
    or (resid 89 and name HG23) (resid 39 and name HZ)
assign (resid 86 and name HG2) (resid 89 and name HG22) 2.837 1.006 1.006 weight 1.000 ! spec=HCH, no=3257, id=6185, vol=2.460000e+07
    or (resid 86 and name HG2) (resid 89 and name HG21)
    or (resid 86 and name HG2) (resid 89 and name HG23)
assign (resid 89 and name HG22) (resid 83 and name HB2) 3.891 1.893 1.893 weight 1.000 ! spec=HCH, no=3261, id=6189, vol=3.690000e+06
    or (resid 89 and name HG21) (resid 83 and name HB2)
    or (resid 89 and name HG23) (resid 83 and name HB2)
assign (resid 88 and name HA) (resid 89 and name HG22) 3.387 1.434 1.434 weight 1.000 ! spec=HCH, no=3262, id=6190, vol=8.490000e+06
    or (resid 88 and name HA) (resid 89 and name HG21)
    or (resid 88 and name HA) (resid 89 and name HG23)
assign (resid 89 and name HN) (resid 89 and name HG22) 2.573 0.828 0.828 weight 1.000 ! spec=HCH, no=3263, id=6191, vol=4.420000e+07
    or (resid 89 and name HN) (resid 89 and name HG21)
    or (resid 89 and name HN) (resid 89 and name HG23)
assign (resid 89 and name HA) (resid 89 and name HG22) 2.469 0.762 0.762 weight 1.000 ! spec=HCH, no=3264, id=6192, vol=5.660000e+07
    or (resid 89 and name HA) (resid 89 and name HG21)
    or (resid 89 and name HA) (resid 89 and name HG23)
assign (resid 89 and name HB) (resid 89 and name HG22) 2.172 0.590 0.590 weight 1.000 ! spec=HCH, no=3265, id=6193, vol=1.220000e+08
    or (resid 89 and name HB) (resid 89 and name HG21)
    or (resid 89 and name HB) (resid 89 and name HG23)
assign (resid 89 and name HG12) (resid 89 and name HG22) 2.233 0.623 0.623 weight 1.000 ! spec=HCH, no=3266, id=6194, vol=1.030000e+08
    or (resid 89 and name HG12) (resid 89 and name HG21)
    or (resid 89 and name HG12) (resid 89 and name HG23)
assign (resid 89 and name HG22) (resid 89 and name HG21) 1.222 0.187 0.187 weight 1.000 ! spec=HCH, no=3267, id=6195, vol=3.850000e+09
    or (resid 89 and name HG22) (resid 89 and name HG23)
    or (resid 89 and name HG22) (resid 89 and name HG21)
    or (resid 89 and name HG21) (resid 89 and name HG23)
    or (resid 89 and name HG22) (resid 89 and name HG23)
    or (resid 89 and name HG21) (resid 89 and name HG23)
assign (resid 89 and name HG22) (resid 133 and name HG11) 2.545 0.809 0.809 weight 1.000 ! spec=HCH, no=3270, id=6198, vol=4.720000e+07
    or (resid 89 and name HG21) (resid 133 and name HG11)
    or (resid 89 and name HG23) (resid 133 and name HG11)
assign (resid 90 and name HA) (resid 90 and name HB1) 2.627 0.863 0.863 weight 1.000 ! spec=HCH, no=3273, id=6200, vol=3.900000e+07
assign (resid 90 and name HA) (resid 90 and name HD12) 2.867 1.027 1.027 weight 1.000 ! spec=HCH, no=3274, id=6201, vol=2.310000e+07
    or (resid 90 and name HA) (resid 90 and name HD11)
    or (resid 90 and name HA) (resid 90 and name HD13)
assign (resid 90 and name HA) (resid 130 and name HA) 2.813 0.989 0.989 weight 1.000 ! spec=HCH, no=3278, id=6205, vol=2.590000e+07
assign (resid 90 and name HA) (resid 130 and name HD1) 3.208 1.286 1.286 weight 1.000 ! spec=HCH, no=3279, id=6206, vol=1.180000e+07
assign (resid 90 and name HB1) (resid 63 and name HE2) 2.818 0.993 0.993 weight 1.000 ! spec=HCH, no=3289, id=6215, vol=2.560000e+07
    or (resid 90 and name HB1) (resid 63 and name HE1)
    or (resid 90 and name HB1) (resid 63 and name HE3)
assign (resid 90 and name HB1) (resid 148 and name HB) 4.088 2.089 2.089 weight 1.000 ! spec=HCH, no=3291, id=6217, vol=2.750000e+06
assign (resid 90 and name HB2) (resid 89 and name HA) 3.593 1.614 1.614 weight 1.000 ! spec=HCH, no=3294, id=6220, vol=5.960000e+06
assign (resid 90 and name HB2) (resid 90 and name HD12) 2.611 0.852 0.852 weight 1.000 ! spec=HCH, no=3298, id=6224, vol=4.040000e+07
    or (resid 90 and name HB2) (resid 90 and name HD11)
    or (resid 90 and name HB2) (resid 90 and name HD13)
assign (resid 90 and name HB1) (resid 90 and name HD22) 2.700 0.911 0.911 weight 1.000 ! spec=HCH, no=3301, id=6227, vol=3.310000e+07
    or (resid 90 and name HB1) (resid 90 and name HD21)
    or (resid 90 and name HB1) (resid 90 and name HD23)
assign (resid 90 and name HB1) (resid 91 and name HN) 3.416 1.459 1.459 weight 1.000 ! spec=HCH, no=3302, id=6228, vol=8.070000e+06
assign (resid 90 and name HB1) (resid 130 and name HD1) 3.870 1.872 1.872 weight 1.000 ! spec=HCH, no=3304, id=6230, vol=3.820000e+06
assign (resid 90 and name HB1) (resid 130 and name HE1) 3.763 1.770 1.770 weight 1.000 ! spec=HCH, no=3305, id=6231, vol=4.510000e+06
assign (resid 90 and name HD12) (resid 143 and name HB2) 3.545 1.571 1.571 weight 1.000 ! spec=HCH, no=3306, id=6232, vol=6.460000e+06
    or (resid 90 and name HD11) (resid 143 and name HB2)
    or (resid 90 and name HD13) (resid 143 and name HB2)
assign (resid 90 and name HD12) (resid 148 and name HG12) 1.959 0.480 0.480 weight 1.000 ! spec=HCH, no=3307, id=6233, vol=2.270000e+08
    or (resid 90 and name HD12) (resid 148 and name HG11)
    or (resid 90 and name HD12) (resid 148 and name HG13)
    or (resid 90 and name HD11) (resid 148 and name HG12)
    or (resid 90 and name HD11) (resid 148 and name HG11)
    or (resid 90 and name HD11) (resid 148 and name HG13)
    or (resid 90 and name HD13) (resid 148 and name HG12)
    or (resid 90 and name HD13) (resid 148 and name HG11)
    or (resid 90 and name HD13) (resid 148 and name HG13)
assign (resid 90 and name HD12) (resid 143 and name HN) 3.497 1.529 1.529 weight 1.000 ! spec=HCH, no=3313, id=6239, vol=7.010000e+06
    or (resid 90 and name HD11) (resid 143 and name HN)
    or (resid 90 and name HD13) (resid 143 and name HN)
assign (resid 90 and name HD12) (resid 148 and name HA) 3.300 1.361 1.361 weight 1.000 ! spec=HCH, no=3318, id=6244, vol=9.920000e+06
    or (resid 90 and name HD11) (resid 148 and name HA)
    or (resid 90 and name HD13) (resid 148 and name HA)
assign (resid 90 and name HD12) (resid 148 and name HN) 3.582 1.603 1.603 weight 1.000 ! spec=HCH, no=3319, id=6245, vol=6.080000e+06
    or (resid 90 and name HD11) (resid 148 and name HN)
    or (resid 90 and name HD13) (resid 148 and name HN)
assign (resid 90 and name HD12) (resid 151 and name HB) 3.527 1.555 1.555 weight 1.000 ! spec=HCH, no=3321, id=6247, vol=6.660000e+06
    or (resid 90 and name HD11) (resid 151 and name HB)
    or (resid 90 and name HD13) (resid 151 and name HB)
assign (resid 90 and name HD12) (resid 143 and name HB1) 3.532 1.560 1.560 weight 1.000 ! spec=HCH, no=3322, id=6248, vol=6.600000e+06
    or (resid 90 and name HD11) (resid 143 and name HB1)
    or (resid 90 and name HD13) (resid 143 and name HB1)
assign (resid 90 and name HD12) (resid 148 and name HB) 3.062 1.172 1.172 weight 1.000 ! spec=HCH, no=3331, id=6256, vol=1.550000e+07
    or (resid 90 and name HD11) (resid 148 and name HB)
    or (resid 90 and name HD13) (resid 148 and name HB)
assign (resid 90 and name HD12) (resid 52 and name HB) 3.148 1.238 1.238 weight 1.000 ! spec=HCH, no=3333, id=6258, vol=1.320000e+07
    or (resid 90 and name HD11) (resid 52 and name HB)
    or (resid 90 and name HD13) (resid 52 and name HB)
assign (resid 90 and name HD12) (resid 90 and name HN) 2.920 1.066 1.066 weight 1.000 ! spec=HCH, no=3337, id=6262, vol=2.070000e+07
    or (resid 90 and name HD11) (resid 90 and name HN)
    or (resid 90 and name HD13) (resid 90 and name HN)
assign (resid 90 and name HB1) (resid 90 and name HD12) 2.050 0.525 0.525 weight 1.000 ! spec=HCH, no=3339, id=6264, vol=1.730000e+08
    or (resid 90 and name HB1) (resid 90 and name HD11)
    or (resid 90 and name HB1) (resid 90 and name HD13)
assign (resid 90 and name HD12) (resid 90 and name HD11) 1.237 0.191 0.191 weight 1.000 ! spec=HCH, no=3340, id=6265, vol=3.590000e+09
    or (resid 90 and name HD12) (resid 90 and name HD13)
    or (resid 90 and name HD12) (resid 90 and name HD11)
    or (resid 90 and name HD11) (resid 90 and name HD13)
    or (resid 90 and name HD12) (resid 90 and name HD13)
    or (resid 90 and name HD11) (resid 90 and name HD13)
assign (resid 90 and name HD12) (resid 130 and name HZ) 3.026 1.145 1.145 weight 1.000 ! spec=HCH, no=3347, id=6272, vol=1.670000e+07
    or (resid 90 and name HD11) (resid 130 and name HZ)
    or (resid 90 and name HD13) (resid 130 and name HZ)
assign (resid 90 and name HD12) (resid 130 and name HE1) 2.893 1.046 1.046 weight 1.000 ! spec=HCH, no=3349, id=6274, vol=2.190000e+07
    or (resid 90 and name HD11) (resid 130 and name HE1)
    or (resid 90 and name HD13) (resid 130 and name HE1)
assign (resid 90 and name HD22) (resid 143 and name HN) 3.813 1.818 1.818 weight 1.000 ! spec=HCH, no=3357, id=6282, vol=4.170000e+06
    or (resid 90 and name HD21) (resid 143 and name HN)
    or (resid 90 and name HD23) (resid 143 and name HN)
assign (resid 90 and name HD22) (resid 90 and name HD12) 1.972 0.486 0.486 weight 1.000 ! spec=HCH, no=3359, id=6284, vol=2.180000e+08
    or (resid 90 and name HD22) (resid 90 and name HD11)
    or (resid 90 and name HD22) (resid 90 and name HD13)
    or (resid 90 and name HD21) (resid 90 and name HD12)
    or (resid 90 and name HD21) (resid 90 and name HD11)
    or (resid 90 and name HD21) (resid 90 and name HD13)
    or (resid 90 and name HD23) (resid 90 and name HD12)
    or (resid 90 and name HD23) (resid 90 and name HD11)
    or (resid 90 and name HD23) (resid 90 and name HD13)
assign (resid 90 and name HD22) (resid 131 and name HN) 3.916 1.917 1.917 weight 1.000 ! spec=HCH, no=3361, id=6286, vol=3.560000e+06
    or (resid 90 and name HD21) (resid 131 and name HN)
    or (resid 90 and name HD23) (resid 131 and name HN)
assign (resid 90 and name HD22) (resid 91 and name HA) 3.467 1.503 1.503 weight 1.000 ! spec=HCH, no=3363, id=6288, vol=7.380000e+06
    or (resid 90 and name HD21) (resid 91 and name HA)
    or (resid 90 and name HD23) (resid 91 and name HA)
assign (resid 90 and name HD22) (resid 130 and name HA) 3.505 1.535 1.535 weight 1.000 ! spec=HCH, no=3364, id=6289, vol=6.920000e+06
    or (resid 90 and name HD21) (resid 130 and name HA)
    or (resid 90 and name HD23) (resid 130 and name HA)
assign (resid 90 and name HD22) (resid 143 and name HB1) 3.722 1.732 1.732 weight 1.000 ! spec=HCH, no=3365, id=6290, vol=4.820000e+06
    or (resid 90 and name HD21) (resid 143 and name HB1)
    or (resid 90 and name HD23) (resid 143 and name HB1)
assign (resid 129 and name HN) (resid 90 and name HD22) 3.277 1.342 1.342 weight 1.000 ! spec=HCH, no=3368, id=6293, vol=1.040000e+07
    or (resid 129 and name HN) (resid 90 and name HD21)
    or (resid 129 and name HN) (resid 90 and name HD23)
assign (resid 49 and name HD12) (resid 90 and name HD22) 2.466 0.760 0.760 weight 1.000 ! spec=HCH, no=3369, id=6294, vol=5.710000e+07
    or (resid 49 and name HD12) (resid 90 and name HD21)
    or (resid 49 and name HD12) (resid 90 and name HD23)
    or (resid 49 and name HD11) (resid 90 and name HD22)
    or (resid 49 and name HD11) (resid 90 and name HD21)
    or (resid 49 and name HD11) (resid 90 and name HD23)
    or (resid 49 and name HD13) (resid 90 and name HD22)
    or (resid 49 and name HD13) (resid 90 and name HD21)
    or (resid 49 and name HD13) (resid 90 and name HD23)
assign (resid 90 and name HD22) (resid 63 and name HB1) 3.484 1.517 1.517 weight 1.000 ! spec=HCH, no=3371, id=6296, vol=7.170000e+06
    or (resid 90 and name HD21) (resid 63 and name HB1)
    or (resid 90 and name HD23) (resid 63 and name HB1)
assign (resid 90 and name HD22) (resid 90 and name HN) 3.132 1.226 1.226 weight 1.000 ! spec=HCH, no=3373, id=6298, vol=1.360000e+07
    or (resid 90 and name HD21) (resid 90 and name HN)
    or (resid 90 and name HD23) (resid 90 and name HN)
assign (resid 90 and name HA) (resid 90 and name HD22) 2.619 0.858 0.858 weight 1.000 ! spec=HCH, no=3374, id=6299, vol=3.970000e+07
    or (resid 90 and name HA) (resid 90 and name HD21)
    or (resid 90 and name HA) (resid 90 and name HD23)
assign (resid 90 and name HB2) (resid 90 and name HD22) 2.347 0.689 0.689 weight 1.000 ! spec=HCH, no=3375, id=6300, vol=7.660000e+07
    or (resid 90 and name HB2) (resid 90 and name HD21)
    or (resid 90 and name HB2) (resid 90 and name HD23)
assign (resid 90 and name HD22) (resid 90 and name HD21) 1.301 0.212 0.212 weight 1.000 ! spec=HCH, no=3377, id=6302, vol=2.640000e+09
    or (resid 90 and name HD22) (resid 90 and name HD23)
    or (resid 90 and name HD22) (resid 90 and name HD21)
    or (resid 90 and name HD21) (resid 90 and name HD23)
    or (resid 90 and name HD22) (resid 90 and name HD23)
    or (resid 90 and name HD21) (resid 90 and name HD23)
assign (resid 90 and name HD22) (resid 128 and name HA) 3.424 1.465 1.465 weight 1.000 ! spec=HCH, no=3381, id=6306, vol=7.960000e+06
    or (resid 90 and name HD21) (resid 128 and name HA)
    or (resid 90 and name HD23) (resid 128 and name HA)
assign (resid 90 and name HD22) (resid 128 and name HB2) 2.570 0.826 0.826 weight 1.000 ! spec=HCH, no=3382, id=6307, vol=4.450000e+07
    or (resid 90 and name HD21) (resid 128 and name HB2)
    or (resid 90 and name HD23) (resid 128 and name HB2)
assign (resid 90 and name HD22) (resid 130 and name HZ) 3.128 1.223 1.223 weight 1.000 ! spec=HCH, no=3383, id=6308, vol=1.370000e+07
    or (resid 90 and name HD21) (resid 130 and name HZ)
    or (resid 90 and name HD23) (resid 130 and name HZ)
assign (resid 90 and name HD22) (resid 130 and name HD1) 3.280 1.344 1.344 weight 1.000 ! spec=HCH, no=3384, id=6309, vol=1.030000e+07
    or (resid 90 and name HD21) (resid 130 and name HD1)
    or (resid 90 and name HD23) (resid 130 and name HD1)
assign (resid 90 and name HD22) (resid 130 and name HE1) 3.015 1.136 1.136 weight 1.000 ! spec=HCH, no=3385, id=6310, vol=1.710000e+07
    or (resid 90 and name HD21) (resid 130 and name HE1)
    or (resid 90 and name HD23) (resid 130 and name HE1)
assign (resid 90 and name HD22) (resid 143 and name HB2) 3.980 1.980 1.980 weight 1.000 ! spec=HCH, no=3387, id=6312, vol=3.230000e+06
    or (resid 90 and name HD21) (resid 143 and name HB2)
    or (resid 90 and name HD23) (resid 143 and name HB2)
assign (resid 90 and name HG) (resid 148 and name HG22) 3.547 1.573 1.573 weight 1.000 ! spec=HCH, no=3389, id=6314, vol=6.440000e+06
    or (resid 90 and name HG) (resid 148 and name HG21)
    or (resid 90 and name HG) (resid 148 and name HG23)
assign (resid 63 and name HE2) (resid 90 and name HG) 3.147 1.238 1.238 weight 1.000 ! spec=HCH, no=3390, id=6315, vol=1.320000e+07
    or (resid 63 and name HE1) (resid 90 and name HG)
    or (resid 63 and name HE3) (resid 90 and name HG)
assign (resid 90 and name HG) (resid 90 and name HD12) 2.733 0.934 0.934 weight 1.000 ! spec=HCH, no=3392, id=6317, vol=3.080000e+07
    or (resid 90 and name HG) (resid 90 and name HD11)
    or (resid 90 and name HG) (resid 90 and name HD13)
assign (resid 90 and name HG) (resid 90 and name HN) 3.122 1.218 1.218 weight 1.000 ! spec=HCH, no=3393, id=6318, vol=1.390000e+07
assign (resid 90 and name HG) (resid 90 and name HA) 3.492 1.524 1.524 weight 1.000 ! spec=HCH, no=3394, id=6319, vol=7.080000e+06
assign (resid 90 and name HG) (resid 90 and name HD22) 2.796 0.977 0.977 weight 1.000 ! spec=HCH, no=3395, id=6320, vol=2.690000e+07
    or (resid 90 and name HG) (resid 90 and name HD21)
    or (resid 90 and name HG) (resid 90 and name HD23)
assign (resid 90 and name HG) (resid 91 and name HN) 3.615 1.633 1.633 weight 1.000 ! spec=HCH, no=3396, id=6321, vol=5.750000e+06
assign (resid 90 and name HG) (resid 130 and name HE1) 3.630 1.647 1.647 weight 1.000 ! spec=HCH, no=3397, id=6322, vol=5.600000e+06
assign (resid 91 and name HA) (resid 91 and name HG) 2.764 0.955 0.955 weight 1.000 ! spec=HCH, no=3399, id=6324, vol=2.880000e+07
assign (resid 91 and name HA) (resid 131 and name HB1) 3.244 1.316 1.316 weight 1.000 ! spec=HCH, no=3401, id=6326, vol=1.100000e+07
assign (resid 91 and name HA) (resid 91 and name HB2) 2.504 0.784 0.784 weight 1.000 ! spec=HCH, no=3406, id=6329, vol=5.200000e+07
assign (resid 91 and name HA) (resid 91 and name HB1) 2.977 1.108 1.108 weight 1.000 ! spec=HCH, no=3407, id=6330, vol=1.840000e+07
assign (resid 91 and name HB1) (resid 91 and name HB2) 2.583 0.834 0.834 weight 1.000 ! spec=HCH, no=3431, id=6351, vol=4.320000e+07
assign (resid 91 and name HB2) (resid 91 and name HD22) 2.797 0.978 0.978 weight 1.000 ! spec=HCH, no=3435, id=6354, vol=2.680000e+07
    or (resid 91 and name HB2) (resid 91 and name HD21)
    or (resid 91 and name HB2) (resid 91 and name HD23)
assign (resid 91 and name HB1) (resid 104 and name HH2) 4.155 2.158 2.158 weight 1.000 ! spec=HCH, no=3438, id=6357, vol=2.490000e+06
assign (resid 91 and name HB1) (resid 104 and name HZ3) 3.332 1.388 1.388 weight 1.000 ! spec=HCH, no=3440, id=6359, vol=9.370000e+06
assign (resid 91 and name HB1) (resid 129 and name HN) 4.100 2.101 2.101 weight 1.000 ! spec=HCH, no=3441, id=6360, vol=2.700000e+06
assign (resid 91 and name HB1) (resid 130 and name HA) 3.887 1.888 1.888 weight 1.000 ! spec=HCH, no=3442, id=6361, vol=3.720000e+06
assign (resid 91 and name HD12) (resid 136 and name HA2) 3.850 1.853 1.853 weight 1.000 ! spec=HCH, no=3448, id=6364, vol=3.940000e+06
    or (resid 91 and name HD11) (resid 136 and name HA2)
    or (resid 91 and name HD13) (resid 136 and name HA2)
assign (resid 92 and name HN) (resid 91 and name HD12) 2.772 0.961 0.961 weight 1.000 ! spec=HCH, no=3451, id=6367, vol=2.820000e+07
    or (resid 92 and name HN) (resid 91 and name HD11)
    or (resid 92 and name HN) (resid 91 and name HD13)
assign (resid 66 and name HD12) (resid 91 and name HD12) 2.111 0.557 0.557 weight 1.000 ! spec=HCH, no=3453, id=6369, vol=1.450000e+08
    or (resid 66 and name HD12) (resid 91 and name HD11)
    or (resid 66 and name HD12) (resid 91 and name HD13)
    or (resid 66 and name HD11) (resid 91 and name HD12)
    or (resid 66 and name HD11) (resid 91 and name HD11)
    or (resid 66 and name HD11) (resid 91 and name HD13)
    or (resid 66 and name HD13) (resid 91 and name HD12)
    or (resid 66 and name HD13) (resid 91 and name HD11)
    or (resid 66 and name HD13) (resid 91 and name HD13)
assign (resid 91 and name HD12) (resid 91 and name HD22) 2.062 0.532 0.532 weight 1.000 ! spec=HCH, no=3455, id=6371, vol=1.670000e+08
    or (resid 91 and name HD12) (resid 91 and name HD21)
    or (resid 91 and name HD12) (resid 91 and name HD23)
    or (resid 91 and name HD11) (resid 91 and name HD22)
    or (resid 91 and name HD11) (resid 91 and name HD21)
    or (resid 91 and name HD11) (resid 91 and name HD23)
    or (resid 91 and name HD13) (resid 91 and name HD22)
    or (resid 91 and name HD13) (resid 91 and name HD21)
    or (resid 91 and name HD13) (resid 91 and name HD23)
assign (resid 131 and name HN) (resid 91 and name HD12) 2.920 1.066 1.066 weight 1.000 ! spec=HCH, no=3460, id=6374, vol=2.070000e+07
    or (resid 131 and name HN) (resid 91 and name HD11)
    or (resid 131 and name HN) (resid 91 and name HD13)
assign (resid 91 and name HD12) (resid 90 and name HA) 3.313 1.372 1.372 weight 1.000 ! spec=HCH, no=3461, id=6375, vol=9.690000e+06
    or (resid 91 and name HD11) (resid 90 and name HA)
    or (resid 91 and name HD13) (resid 90 and name HA)
assign (resid 138 and name HE1) (resid 91 and name HD12) 3.593 1.614 1.614 weight 1.000 ! spec=HCH, no=3467, id=6381, vol=5.960000e+06
    or (resid 138 and name HE1) (resid 91 and name HD11)
    or (resid 138 and name HE1) (resid 91 and name HD13)
assign (resid 91 and name HD12) (resid 65 and name HA) 3.314 1.373 1.373 weight 1.000 ! spec=HCH, no=3473, id=6387, vol=9.680000e+06
    or (resid 91 and name HD11) (resid 65 and name HA)
    or (resid 91 and name HD13) (resid 65 and name HA)
assign (resid 91 and name HD12) (resid 66 and name HN) 3.733 1.742 1.742 weight 1.000 ! spec=HCH, no=3475, id=6389, vol=4.740000e+06
    or (resid 91 and name HD11) (resid 66 and name HN)
    or (resid 91 and name HD13) (resid 66 and name HN)
assign (resid 91 and name HD12) (resid 66 and name HB) 3.123 1.220 1.220 weight 1.000 ! spec=HCH, no=3476, id=6390, vol=1.380000e+07
    or (resid 91 and name HD11) (resid 66 and name HB)
    or (resid 91 and name HD13) (resid 66 and name HB)
assign (resid 91 and name HD12) (resid 90 and name HN) 3.719 1.729 1.729 weight 1.000 ! spec=HCH, no=3477, id=6391, vol=4.850000e+06
    or (resid 91 and name HD11) (resid 90 and name HN)
    or (resid 91 and name HD13) (resid 90 and name HN)
assign (resid 91 and name HN) (resid 91 and name HD12) 2.931 1.074 1.074 weight 1.000 ! spec=HCH, no=3479, id=6393, vol=2.020000e+07
    or (resid 91 and name HN) (resid 91 and name HD11)
    or (resid 91 and name HN) (resid 91 and name HD13)
assign (resid 91 and name HA) (resid 91 and name HD12) 2.246 0.631 0.631 weight 1.000 ! spec=HCH, no=3480, id=6394, vol=9.980000e+07
    or (resid 91 and name HA) (resid 91 and name HD11)
    or (resid 91 and name HA) (resid 91 and name HD13)
assign (resid 91 and name HD12) (resid 91 and name HB1) 2.470 0.763 0.763 weight 1.000 ! spec=HCH, no=3481, id=6395, vol=5.650000e+07
    or (resid 91 and name HD11) (resid 91 and name HB1)
    or (resid 91 and name HD13) (resid 91 and name HB1)
assign (resid 91 and name HD12) (resid 91 and name HD11) 1.363 0.232 0.232 weight 1.000 ! spec=HCH, no=3482, id=6396, vol=2.000000e+09
    or (resid 91 and name HD12) (resid 91 and name HD13)
    or (resid 91 and name HD12) (resid 91 and name HD11)
    or (resid 91 and name HD11) (resid 91 and name HD13)
    or (resid 91 and name HD12) (resid 91 and name HD13)
    or (resid 91 and name HD11) (resid 91 and name HD13)
assign (resid 91 and name HD12) (resid 104 and name HH2) 3.069 1.177 1.177 weight 1.000 ! spec=HCH, no=3483, id=6397, vol=1.530000e+07
    or (resid 91 and name HD11) (resid 104 and name HH2)
    or (resid 91 and name HD13) (resid 104 and name HH2)
assign (resid 91 and name HD12) (resid 104 and name HZ2) 3.590 1.611 1.611 weight 1.000 ! spec=HCH, no=3484, id=6398, vol=5.990000e+06
    or (resid 91 and name HD11) (resid 104 and name HZ2)
    or (resid 91 and name HD13) (resid 104 and name HZ2)
assign (resid 91 and name HD12) (resid 104 and name HZ3) 3.000 1.125 1.125 weight 1.000 ! spec=HCH, no=3485, id=6399, vol=1.760000e+07
    or (resid 91 and name HD11) (resid 104 and name HZ3)
    or (resid 91 and name HD13) (resid 104 and name HZ3)
assign (resid 91 and name HD12) (resid 130 and name HA) 3.164 1.251 1.251 weight 1.000 ! spec=HCH, no=3486, id=6400, vol=1.280000e+07
    or (resid 91 and name HD11) (resid 130 and name HA)
    or (resid 91 and name HD13) (resid 130 and name HA)
assign (resid 91 and name HD12) (resid 131 and name HA) 3.138 1.231 1.231 weight 1.000 ! spec=HCH, no=3487, id=6401, vol=1.340000e+07
    or (resid 91 and name HD11) (resid 131 and name HA)
    or (resid 91 and name HD13) (resid 131 and name HA)
assign (resid 91 and name HD12) (resid 131 and name HB2) 1.972 0.486 0.486 weight 1.000 ! spec=HCH, no=3488, id=6402, vol=2.180000e+08
    or (resid 91 and name HD11) (resid 131 and name HB2)
    or (resid 91 and name HD13) (resid 131 and name HB2)
assign (resid 91 and name HD12) (resid 131 and name HB1) 2.498 0.780 0.780 weight 1.000 ! spec=HCH, no=3489, id=6403, vol=5.270000e+07
    or (resid 91 and name HD11) (resid 131 and name HB1)
    or (resid 91 and name HD13) (resid 131 and name HB1)
assign (resid 91 and name HD12) (resid 138 and name HA) 4.010 2.010 2.010 weight 1.000 ! spec=HCH, no=3491, id=6405, vol=3.080000e+06
    or (resid 91 and name HD11) (resid 138 and name HA)
    or (resid 91 and name HD13) (resid 138 and name HA)
assign (resid 91 and name HD22) (resid 138 and name HB2) 2.944 1.083 1.083 weight 1.000 ! spec=HCH, no=3492, id=6406, vol=1.970000e+07
    or (resid 91 and name HD21) (resid 138 and name HB2)
    or (resid 91 and name HD23) (resid 138 and name HB2)
assign (resid 91 and name HD12) (resid 138 and name HB1) 3.512 1.542 1.542 weight 1.000 ! spec=HCH, no=3493, id=6407, vol=6.830000e+06
    or (resid 91 and name HD11) (resid 138 and name HB1)
    or (resid 91 and name HD13) (resid 138 and name HB1)
assign (resid 91 and name HD12) (resid 138 and name HZ2) 3.594 1.615 1.615 weight 1.000 ! spec=HCH, no=3496, id=6410, vol=5.950000e+06
    or (resid 91 and name HD11) (resid 138 and name HZ2)
    or (resid 91 and name HD13) (resid 138 and name HZ2)
assign (resid 91 and name HD12) (resid 138 and name HZ3) 3.896 1.897 1.897 weight 1.000 ! spec=HCH, no=3497, id=6411, vol=3.670000e+06
    or (resid 91 and name HD11) (resid 138 and name HZ3)
    or (resid 91 and name HD13) (resid 138 and name HZ3)
assign (resid 91 and name HD22) (resid 138 and name HZ3) 3.525 1.553 1.553 weight 1.000 ! spec=HCH, no=3498, id=6412, vol=6.690000e+06
    or (resid 91 and name HD21) (resid 138 and name HZ3)
    or (resid 91 and name HD23) (resid 138 and name HZ3)
assign (resid 92 and name HN) (resid 91 and name HD22) 3.315 1.374 1.374 weight 1.000 ! spec=HCH, no=3499, id=6413, vol=9.660000e+06
    or (resid 92 and name HN) (resid 91 and name HD21)
    or (resid 92 and name HN) (resid 91 and name HD23)
assign (resid 66 and name HD12) (resid 91 and name HD22) 2.532 0.801 0.801 weight 1.000 ! spec=HCH, no=3501, id=6415, vol=4.870000e+07
    or (resid 66 and name HD12) (resid 91 and name HD21)
    or (resid 66 and name HD12) (resid 91 and name HD23)
    or (resid 66 and name HD11) (resid 91 and name HD22)
    or (resid 66 and name HD11) (resid 91 and name HD21)
    or (resid 66 and name HD11) (resid 91 and name HD23)
    or (resid 66 and name HD13) (resid 91 and name HD22)
    or (resid 66 and name HD13) (resid 91 and name HD21)
    or (resid 66 and name HD13) (resid 91 and name HD23)
assign (resid 91 and name HD22) (resid 138 and name HE3) 2.883 1.039 1.039 weight 1.000 ! spec=HCH, no=3505, id=6419, vol=2.230000e+07
    or (resid 91 and name HD21) (resid 138 and name HE3)
    or (resid 91 and name HD23) (resid 138 and name HE3)
assign (resid 139 and name HN) (resid 91 and name HD22) 3.552 1.577 1.577 weight 1.000 ! spec=HCH, no=3509, id=6422, vol=6.390000e+06
    or (resid 139 and name HN) (resid 91 and name HD21)
    or (resid 139 and name HN) (resid 91 and name HD23)
assign (resid 138 and name HE1) (resid 91 and name HD22) 3.492 1.524 1.524 weight 1.000 ! spec=HCH, no=3510, id=6423, vol=7.070000e+06
    or (resid 138 and name HE1) (resid 91 and name HD21)
    or (resid 138 and name HE1) (resid 91 and name HD23)
assign (resid 91 and name HD22) (resid 91 and name HG) 2.227 0.620 0.620 weight 1.000 ! spec=HCH, no=3511, id=6424, vol=1.050000e+08
    or (resid 91 and name HD21) (resid 91 and name HG)
    or (resid 91 and name HD23) (resid 91 and name HG)
assign (resid 91 and name HD22) (resid 66 and name HB) 3.375 1.424 1.424 weight 1.000 ! spec=HCH, no=3516, id=6428, vol=8.670000e+06
    or (resid 91 and name HD21) (resid 66 and name HB)
    or (resid 91 and name HD23) (resid 66 and name HB)
assign (resid 91 and name HN) (resid 91 and name HD22) 3.008 1.131 1.131 weight 1.000 ! spec=HCH, no=3517, id=6429, vol=1.730000e+07
    or (resid 91 and name HN) (resid 91 and name HD21)
    or (resid 91 and name HN) (resid 91 and name HD23)
assign (resid 91 and name HA) (resid 91 and name HD22) 2.972 1.104 1.104 weight 1.000 ! spec=HCH, no=3518, id=6430, vol=1.860000e+07
    or (resid 91 and name HA) (resid 91 and name HD21)
    or (resid 91 and name HA) (resid 91 and name HD23)
assign (resid 91 and name HB1) (resid 91 and name HD22) 2.389 0.714 0.714 weight 1.000 ! spec=HCH, no=3519, id=6431, vol=6.890000e+07
    or (resid 91 and name HB1) (resid 91 and name HD21)
    or (resid 91 and name HB1) (resid 91 and name HD23)
assign (resid 91 and name HD22) (resid 91 and name HD21) 1.360 0.231 0.231 weight 1.000 ! spec=HCH, no=3521, id=6433, vol=2.030000e+09
    or (resid 91 and name HD22) (resid 91 and name HD23)
    or (resid 91 and name HD22) (resid 91 and name HD21)
    or (resid 91 and name HD21) (resid 91 and name HD23)
    or (resid 91 and name HD22) (resid 91 and name HD23)
    or (resid 91 and name HD21) (resid 91 and name HD23)
assign (resid 91 and name HD22) (resid 104 and name HH2) 2.879 1.036 1.036 weight 1.000 ! spec=HCH, no=3522, id=6434, vol=2.250000e+07
    or (resid 91 and name HD21) (resid 104 and name HH2)
    or (resid 91 and name HD23) (resid 104 and name HH2)
assign (resid 91 and name HD22) (resid 104 and name HZ3) 3.051 1.164 1.164 weight 1.000 ! spec=HCH, no=3524, id=6436, vol=1.590000e+07
    or (resid 91 and name HD21) (resid 104 and name HZ3)
    or (resid 91 and name HD23) (resid 104 and name HZ3)
assign (resid 91 and name HD22) (resid 114 and name HN) 3.248 1.319 1.319 weight 1.000 ! spec=HCH, no=3525, id=6437, vol=1.090000e+07
    or (resid 91 and name HD21) (resid 114 and name HN)
    or (resid 91 and name HD23) (resid 114 and name HN)
assign (resid 91 and name HD22) (resid 131 and name HA) 3.121 1.217 1.217 weight 1.000 ! spec=HCH, no=3527, id=6439, vol=1.390000e+07
    or (resid 91 and name HD21) (resid 131 and name HA)
    or (resid 91 and name HD23) (resid 131 and name HA)
assign (resid 91 and name HD22) (resid 131 and name HB2) 2.264 0.641 0.641 weight 1.000 ! spec=HCH, no=3528, id=6440, vol=9.530000e+07
    or (resid 91 and name HD21) (resid 131 and name HB2)
    or (resid 91 and name HD23) (resid 131 and name HB2)
assign (resid 91 and name HD22) (resid 138 and name HA) 3.182 1.266 1.266 weight 1.000 ! spec=HCH, no=3532, id=6444, vol=1.240000e+07
    or (resid 91 and name HD21) (resid 138 and name HA)
    or (resid 91 and name HD23) (resid 138 and name HA)
assign (resid 91 and name HD22) (resid 138 and name HB1) 2.828 1.000 1.000 weight 1.000 ! spec=HCH, no=3533, id=6445, vol=2.510000e+07
    or (resid 91 and name HD21) (resid 138 and name HB1)
    or (resid 91 and name HD23) (resid 138 and name HB1)
assign (resid 91 and name HD22) (resid 138 and name HH2) 3.995 1.995 1.995 weight 1.000 ! spec=HCH, no=3535, id=6447, vol=3.160000e+06
    or (resid 91 and name HD21) (resid 138 and name HH2)
    or (resid 91 and name HD23) (resid 138 and name HH2)
assign (resid 91 and name HD22) (resid 138 and name HZ2) 3.763 1.770 1.770 weight 1.000 ! spec=HCH, no=3536, id=6448, vol=4.520000e+06
    or (resid 91 and name HD21) (resid 138 and name HZ2)
    or (resid 91 and name HD23) (resid 138 and name HZ2)
assign (resid 91 and name HG) (resid 104 and name HZ2) 3.516 1.546 1.546 weight 1.000 ! spec=HCH, no=3538, id=6450, vol=6.780000e+06
assign (resid 91 and name HG) (resid 92 and name HN) 3.316 1.374 1.374 weight 1.000 ! spec=HCH, no=3542, id=6454, vol=9.650000e+06
assign (resid 91 and name HG) (resid 91 and name HD12) 2.780 0.966 0.966 weight 1.000 ! spec=HCH, no=3545, id=6457, vol=2.780000e+07
    or (resid 91 and name HG) (resid 91 and name HD11)
    or (resid 91 and name HG) (resid 91 and name HD13)
assign (resid 92 and name HA2) (resid 92 and name HA1) 2.554 0.816 0.816 weight 1.000 ! spec=HCH, no=3548, id=6460, vol=4.620000e+07
assign (resid 63 and name HB2) (resid 92 and name HA2) 3.046 1.160 1.160 weight 1.000 ! spec=HCH, no=3549, id=6461, vol=1.600000e+07
assign (resid 92 and name HA2) (resid 64 and name HG12) 3.670 1.684 1.684 weight 1.000 ! spec=HCH, no=3550, id=6462, vol=5.250000e+06
assign (resid 63 and name HB1) (resid 92 and name HA1) 2.912 1.060 1.060 weight 1.000 ! spec=HCH, no=3552, id=6464, vol=2.100000e+07
assign (resid 92 and name HA1) (resid 105 and name HD1) 3.084 1.189 1.189 weight 1.000 ! spec=HCH, no=3553, id=6465, vol=1.490000e+07
    or (resid 92 and name HA1) (resid 105 and name HD2)
assign (resid 63 and name HB2) (resid 92 and name HA1) 3.115 1.213 1.213 weight 1.000 ! spec=HCH, no=3555, id=6466, vol=1.400000e+07
assign (resid 92 and name HA2) (resid 91 and name HB2) 3.431 1.471 1.471 weight 1.000 ! spec=HCH, no=3557, id=6468, vol=7.860000e+06
assign (resid 92 and name HN) (resid 92 and name HA2) 2.682 0.899 0.899 weight 1.000 ! spec=HCH, no=3559, id=6470, vol=3.440000e+07
assign (resid 92 and name HN) (resid 92 and name HA1) 2.681 0.898 0.898 weight 1.000 ! spec=HCH, no=3560, id=6471, vol=3.460000e+07
assign (resid 92 and name HA2) (resid 105 and name HE1) 3.550 1.576 1.576 weight 1.000 ! spec=HCH, no=3564, id=6475, vol=6.400000e+06
assign (resid 92 and name HA1) (resid 105 and name HE1) 3.427 1.468 1.468 weight 1.000 ! spec=HCH, no=3565, id=6476, vol=7.910000e+06
assign (resid 93 and name HA) (resid 93 and name HG2) 2.922 1.067 1.067 weight 1.000 ! spec=HCH, no=3568, id=6479, vol=2.060000e+07
    or (resid 93 and name HA) (resid 93 and name HG1)
assign (resid 93 and name HA) (resid 91 and name HB2) 3.488 1.521 1.521 weight 1.000 ! spec=HCH, no=3569, id=6480, vol=7.120000e+06
assign (resid 93 and name HA) (resid 93 and name HB2) 2.796 0.977 0.977 weight 1.000 ! spec=HCH, no=3572, id=6482, vol=2.680000e+07
assign (resid 93 and name HA) (resid 93 and name HB1) 2.885 1.040 1.040 weight 1.000 ! spec=HCH, no=3573, id=6483, vol=2.220000e+07
assign (resid 93 and name HA) (resid 94 and name HD1) 3.361 1.412 1.412 weight 1.000 ! spec=HCH, no=3576, id=6486, vol=8.890000e+06
assign (resid 93 and name HA) (resid 104 and name HN) 3.447 1.485 1.485 weight 1.000 ! spec=HCH, no=3577, id=6487, vol=7.650000e+06
assign (resid 93 and name HA) (resid 104 and name HE3) 3.428 1.469 1.469 weight 1.000 ! spec=HCH, no=3578, id=6488, vol=7.900000e+06
assign (resid 93 and name HA) (resid 105 and name HN) 2.972 1.104 1.104 weight 1.000 ! spec=HCH, no=3579, id=6489, vol=1.860000e+07
assign (resid 93 and name HB2) (resid 91 and name HD12) 4.255 2.263 2.263 weight 1.000 ! spec=HCH, no=3580, id=6490, vol=2.160000e+06
    or (resid 93 and name HB2) (resid 91 and name HD11)
    or (resid 93 and name HB2) (resid 91 and name HD13)
assign (resid 93 and name HB2) (resid 102 and name HD1) 3.424 1.465 1.465 weight 1.000 ! spec=HCH, no=3581, id=6491, vol=7.960000e+06
    or (resid 93 and name HB2) (resid 102 and name HD2)
assign (resid 93 and name HB2) (resid 93 and name HE2) 2.061 0.531 0.531 weight 1.000 ! spec=HCH, no=3582, id=6492, vol=1.670000e+08
    or (resid 93 and name HB2) (resid 93 and name HE1)
    or (resid 93 and name HB2) (resid 93 and name HE3)
assign (resid 93 and name HB2) (resid 93 and name HN) 3.303 1.363 1.363 weight 1.000 ! spec=HCH, no=3589, id=6499, vol=9.880000e+06
assign (resid 93 and name HB1) (resid 93 and name HN) 3.452 1.490 1.490 weight 1.000 ! spec=HCH, no=3590, id=6500, vol=7.570000e+06
assign (resid 93 and name HB2) (resid 94 and name HD1) 3.917 1.918 1.918 weight 1.000 ! spec=HCH, no=3595, id=6505, vol=3.550000e+06
assign (resid 93 and name HB2) (resid 102 and name HA) 4.106 2.107 2.107 weight 1.000 ! spec=HCH, no=3596, id=6506, vol=2.680000e+06
assign (resid 93 and name HB1) (resid 104 and name HE3) 3.371 1.420 1.420 weight 1.000 ! spec=HCH, no=3599, id=6509, vol=8.740000e+06
assign (resid 93 and name HB1) (resid 115 and name HZ2) 3.887 1.889 1.889 weight 1.000 ! spec=HCH, no=3600, id=6510, vol=3.720000e+06
assign (resid 93 and name HG2) (resid 91 and name HD22) 3.598 1.618 1.618 weight 1.000 ! spec=HCH, no=3615, id=6522, vol=5.910000e+06
    or (resid 93 and name HG2) (resid 91 and name HD21)
    or (resid 93 and name HG2) (resid 91 and name HD23)
assign (resid 93 and name HN) (resid 93 and name HG2) 2.951 1.089 1.089 weight 1.000 ! spec=HCH, no=3616, id=6523, vol=1.940000e+07
assign (resid 93 and name HA) (resid 93 and name HG2) 2.859 1.022 1.022 weight 1.000 ! spec=HCH, no=3617, id=6524, vol=2.350000e+07
assign (resid 93 and name HG2) (resid 102 and name HD1) 2.666 0.888 0.888 weight 1.000 ! spec=HCH, no=3619, id=6526, vol=3.570000e+07
assign (resid 93 and name HG2) (resid 104 and name HZ3) 3.512 1.541 1.541 weight 1.000 ! spec=HCH, no=3620, id=6527, vol=6.840000e+06
assign (resid 94 and name HA) (resid 94 and name HB2) 2.437 0.743 0.743 weight 1.000 ! spec=HCH, no=3625, id=6531, vol=6.110000e+07
assign (resid 94 and name HA) (resid 94 and name HB1) 2.492 0.776 0.776 weight 1.000 ! spec=HCH, no=3626, id=6532, vol=5.350000e+07
assign (resid 94 and name HA) (resid 94 and name HD1) 3.001 1.125 1.125 weight 1.000 ! spec=HCH, no=3628, id=6534, vol=1.760000e+07
assign (resid 95 and name HN) (resid 94 and name HA) 2.341 0.685 0.685 weight 1.000 ! spec=HCH, no=3629, id=6535, vol=7.790000e+07
assign (resid 95 and name HN) (resid 94 and name HB2) 2.956 1.092 1.092 weight 1.000 ! spec=HCH, no=3632, id=6538, vol=1.920000e+07
assign (resid 94 and name HB1) (resid 94 and name HE1) 3.476 1.510 1.510 weight 1.000 ! spec=HCH, no=3637, id=6543, vol=7.270000e+06
    or (resid 94 and name HB1) (resid 94 and name HE2)
assign (resid 94 and name HB1) (resid 94 and name HB2) 2.370 0.702 0.702 weight 1.000 ! spec=HCH, no=3642, id=6548, vol=7.240000e+07
assign (resid 94 and name HB1) (resid 94 and name HD1) 2.727 0.929 0.929 weight 1.000 ! spec=HCH, no=3646, id=6552, vol=3.120000e+07
assign (resid 95 and name HA) (resid 94 and name HN) 3.744 1.752 1.752 weight 1.000 ! spec=HCH, no=3657, id=6562, vol=4.660000e+06
assign (resid 95 and name HA) (resid 95 and name HB2) 2.833 1.003 1.003 weight 1.000 ! spec=HCH, no=3661, id=6565, vol=2.480000e+07
assign (resid 95 and name HA) (resid 95 and name HB1) 2.914 1.061 1.061 weight 1.000 ! spec=HCH, no=3662, id=6566, vol=2.090000e+07
assign (resid 95 and name HA) (resid 96 and name HB1) 3.230 1.304 1.304 weight 1.000 ! spec=HCH, no=3665, id=6569, vol=1.130000e+07
assign (resid 95 and name HA) (resid 103 and name HG2) 3.677 1.690 1.690 weight 1.000 ! spec=HCH, no=3670, id=6574, vol=5.190000e+06
assign (resid 95 and name HB2) (resid 94 and name HA) 3.864 1.866 1.866 weight 1.000 ! spec=HCH, no=3672, id=6575, vol=3.850000e+06
assign (resid 95 and name HB1) (resid 94 and name HA) 3.860 1.863 1.863 weight 1.000 ! spec=HCH, no=3673, id=6576, vol=3.870000e+06
assign (resid 95 and name HB2) (resid 95 and name HN) 2.928 1.072 1.072 weight 1.000 ! spec=HCH, no=3674, id=6577, vol=2.040000e+07
assign (resid 95 and name HB2) (resid 95 and name HB1) 2.379 0.707 0.707 weight 1.000 ! spec=HCH, no=3678, id=6581, vol=7.080000e+07
assign (resid 95 and name HB1) (resid 95 and name HD1) 2.700 0.911 0.911 weight 1.000 ! spec=HCH, no=3680, id=6583, vol=3.310000e+07
assign (resid 95 and name HB2) (resid 102 and name HA) 3.939 1.940 1.940 weight 1.000 ! spec=HCH, no=3682, id=6585, vol=3.430000e+06
assign (resid 95 and name HB1) (resid 102 and name HE1) 3.379 1.427 1.427 weight 1.000 ! spec=HCH, no=3684, id=6587, vol=8.610000e+06
assign (resid 95 and name HB1) (resid 124 and name HB2) 4.225 2.231 2.231 weight 1.000 ! spec=HCH, no=3687, id=6590, vol=2.260000e+06
assign (resid 95 and name HB1) (resid 125 and name HG12) 4.012 2.012 2.012 weight 1.000 ! spec=HCH, no=3688, id=6591, vol=3.080000e+06
    or (resid 95 and name HB1) (resid 125 and name HG11)
    or (resid 95 and name HB1) (resid 125 and name HG13)
assign (resid 96 and name HB2) (resid 94 and name HD1) 3.559 1.584 1.584 weight 1.000 ! spec=HCH, no=3692, id=6595, vol=6.310000e+06
    or (resid 96 and name HB2) (resid 94 and name HD2)
assign (resid 97 and name HN) (resid 96 and name HB2) 3.588 1.609 1.609 weight 1.000 ! spec=HCH, no=3695, id=6598, vol=6.010000e+06
assign (resid 96 and name HB2) (resid 96 and name HB1) 2.258 0.637 0.637 weight 1.000 ! spec=HCH, no=3696, id=6599, vol=9.670000e+07
assign (resid 96 and name HB1) (resid 96 and name HA) 2.755 0.949 0.949 weight 1.000 ! spec=HCH, no=3702, id=6603, vol=2.930000e+07
assign (resid 96 and name HB1) (resid 99 and name HB2) 3.630 1.647 1.647 weight 1.000 ! spec=HCH, no=3705, id=6606, vol=5.600000e+06
assign (resid 96 and name HB1) (resid 95 and name HD1) 3.801 1.806 1.806 weight 1.000 ! spec=HCH, no=3709, id=6610, vol=4.250000e+06
assign (resid 96 and name HB2) (resid 96 and name HA) 2.929 1.072 1.072 weight 1.000 ! spec=HCH, no=3711, id=6612, vol=2.030000e+07
assign (resid 97 and name HA) (resid 96 and name HN) 3.693 1.704 1.704 weight 1.000 ! spec=HCH, no=3718, id=6619, vol=5.060000e+06
assign (resid 97 and name HA) (resid 96 and name HA) 3.238 1.311 1.311 weight 1.000 ! spec=HCH, no=3719, id=6620, vol=1.110000e+07
assign (resid 97 and name HA) (resid 125 and name HG22) 3.741 1.749 1.749 weight 1.000 ! spec=HCH, no=3728, id=6628, vol=4.680000e+06
    or (resid 97 and name HA) (resid 125 and name HG21)
    or (resid 97 and name HA) (resid 125 and name HG23)
assign (resid 97 and name HB) (resid 95 and name HD1) 3.604 1.623 1.623 weight 1.000 ! spec=HCH, no=3729, id=6629, vol=5.850000e+06
    or (resid 97 and name HB) (resid 95 and name HD2)
assign (resid 97 and name HB) (resid 100 and name HN) 3.723 1.733 1.733 weight 1.000 ! spec=HCH, no=3730, id=6630, vol=4.820000e+06
assign (resid 97 and name HB) (resid 95 and name HE1) 3.402 1.447 1.447 weight 1.000 ! spec=HCH, no=3731, id=6631, vol=8.260000e+06
    or (resid 97 and name HB) (resid 95 and name HE2)
assign (resid 97 and name HN) (resid 97 and name HB) 2.714 0.921 0.921 weight 1.000 ! spec=HCH, no=3732, id=6632, vol=3.210000e+07
assign (resid 97 and name HA) (resid 97 and name HB) 2.290 0.656 0.656 weight 1.000 ! spec=HCH, no=3733, id=6633, vol=8.880000e+07
assign (resid 97 and name HB) (resid 98 and name HN) 3.087 1.192 1.192 weight 1.000 ! spec=HCH, no=3736, id=6635, vol=1.480000e+07
assign (resid 97 and name HB) (resid 99 and name HN) 3.868 1.870 1.870 weight 1.000 ! spec=HCH, no=3737, id=6636, vol=3.830000e+06
assign (resid 97 and name HG21) (resid 124 and name HD22) 3.097 1.199 1.199 weight 1.000 ! spec=HCH, no=3739, id=6638, vol=1.450000e+07
    or (resid 97 and name HG21) (resid 124 and name HD21)
    or (resid 97 and name HG21) (resid 124 and name HD23)
    or (resid 97 and name HG22) (resid 124 and name HD22)
    or (resid 97 and name HG22) (resid 124 and name HD21)
    or (resid 97 and name HG22) (resid 124 and name HD23)
    or (resid 97 and name HG23) (resid 124 and name HD22)
    or (resid 97 and name HG23) (resid 124 and name HD21)
    or (resid 97 and name HG23) (resid 124 and name HD23)
assign (resid 97 and name HG21) (resid 95 and name HE1) 2.371 0.703 0.703 weight 1.000 ! spec=HCH, no=3742, id=6641, vol=7.220000e+07
    or (resid 97 and name HG21) (resid 95 and name HE2)
    or (resid 97 and name HG22) (resid 95 and name HE1)
    or (resid 97 and name HG22) (resid 95 and name HE2)
    or (resid 97 and name HG23) (resid 95 and name HE1)
    or (resid 97 and name HG23) (resid 95 and name HE2)
assign (resid 96 and name HN) (resid 97 and name HG21) 3.432 1.472 1.472 weight 1.000 ! spec=HCH, no=3743, id=6642, vol=7.850000e+06
    or (resid 96 and name HN) (resid 97 and name HG22)
    or (resid 96 and name HN) (resid 97 and name HG23)
assign (resid 98 and name HN) (resid 97 and name HG21) 2.881 1.037 1.037 weight 1.000 ! spec=HCH, no=3748, id=6646, vol=2.240000e+07
    or (resid 98 and name HN) (resid 97 and name HG22)
    or (resid 98 and name HN) (resid 97 and name HG23)
assign (resid 97 and name HG21) (resid 101 and name HN) 3.566 1.589 1.589 weight 1.000 ! spec=HCH, no=3749, id=6647, vol=6.240000e+06
    or (resid 97 and name HG22) (resid 101 and name HN)
    or (resid 97 and name HG23) (resid 101 and name HN)
assign (resid 97 and name HG21) (resid 96 and name HA) 2.741 0.939 0.939 weight 1.000 ! spec=HCH, no=3750, id=6648, vol=3.020000e+07
    or (resid 97 and name HG22) (resid 96 and name HA)
    or (resid 97 and name HG23) (resid 96 and name HA)
assign (resid 97 and name HG21) (resid 95 and name HB1) 3.199 1.279 1.279 weight 1.000 ! spec=HCH, no=3752, id=6650, vol=1.200000e+07
    or (resid 97 and name HG22) (resid 95 and name HB1)
    or (resid 97 and name HG23) (resid 95 and name HB1)
assign (resid 97 and name HN) (resid 97 and name HG21) 2.263 0.640 0.640 weight 1.000 ! spec=HCH, no=3754, id=6652, vol=9.550000e+07
    or (resid 97 and name HN) (resid 97 and name HG22)
    or (resid 97 and name HN) (resid 97 and name HG23)
assign (resid 97 and name HA) (resid 97 and name HG21) 2.231 0.622 0.622 weight 1.000 ! spec=HCH, no=3755, id=6653, vol=1.040000e+08
    or (resid 97 and name HA) (resid 97 and name HG22)
    or (resid 97 and name HA) (resid 97 and name HG23)
assign (resid 97 and name HB) (resid 97 and name HG21) 2.059 0.530 0.530 weight 1.000 ! spec=HCH, no=3756, id=6654, vol=1.680000e+08
    or (resid 97 and name HB) (resid 97 and name HG22)
    or (resid 97 and name HB) (resid 97 and name HG23)
assign (resid 97 and name HG21) (resid 97 and name HG22) 1.108 0.153 0.153 weight 1.000 ! spec=HCH, no=3757, id=6655, vol=6.940000e+09
    or (resid 97 and name HG21) (resid 97 and name HG23)
    or (resid 97 and name HG21) (resid 97 and name HG22)
    or (resid 97 and name HG22) (resid 97 and name HG23)
    or (resid 97 and name HG21) (resid 97 and name HG23)
    or (resid 97 and name HG22) (resid 97 and name HG23)
assign (resid 97 and name HG21) (resid 125 and name HG22) 2.293 0.657 0.657 weight 1.000 ! spec=HCH, no=3760, id=6658, vol=8.830000e+07
    or (resid 97 and name HG21) (resid 125 and name HG21)
    or (resid 97 and name HG21) (resid 125 and name HG23)
    or (resid 97 and name HG22) (resid 125 and name HG22)
    or (resid 97 and name HG22) (resid 125 and name HG21)
    or (resid 97 and name HG22) (resid 125 and name HG23)
    or (resid 97 and name HG23) (resid 125 and name HG22)
    or (resid 97 and name HG23) (resid 125 and name HG21)
    or (resid 97 and name HG23) (resid 125 and name HG23)
assign (resid 98 and name HA) (resid 98 and name HN) 2.541 0.807 0.807 weight 1.000 ! spec=HCH, no=3763, id=6661, vol=4.760000e+07
assign (resid 98 and name HA) (resid 98 and name HB2) 2.313 0.669 0.669 weight 1.000 ! spec=HCH, no=3764, id=6662, vol=8.370000e+07
assign (resid 98 and name HB2) (resid 98 and name HN) 2.673 0.893 0.893 weight 1.000 ! spec=HCH, no=3770, id=6668, vol=3.520000e+07
assign (resid 98 and name HB1) (resid 98 and name HA) 2.554 0.816 0.816 weight 1.000 ! spec=HCH, no=3771, id=6669, vol=4.610000e+07
assign (resid 98 and name HB2) (resid 98 and name HB1) 1.951 0.476 0.476 weight 1.000 ! spec=HCH, no=3773, id=6670, vol=2.330000e+08
assign (resid 99 and name HN) (resid 98 and name HB1) 2.941 1.081 1.081 weight 1.000 ! spec=HCH, no=3775, id=6672, vol=1.980000e+07
assign (resid 99 and name HA) (resid 99 and name HB2) 2.246 0.630 0.630 weight 1.000 ! spec=HCH, no=3777, id=6673, vol=1.000000e+08
assign (resid 99 and name HB2) (resid 99 and name HB1) 2.066 0.533 0.533 weight 1.000 ! spec=HCH, no=3780, id=6676, vol=1.650000e+08
assign (resid 100 and name HA) (resid 95 and name HD1) 3.803 1.808 1.808 weight 1.000 ! spec=HCH, no=3790, id=6685, vol=4.240000e+06
assign (resid 100 and name HA) (resid 99 and name HB2) 3.789 1.795 1.795 weight 1.000 ! spec=HCH, no=3792, id=6687, vol=4.330000e+06
assign (resid 100 and name HA) (resid 103 and name HE2) 4.101 2.103 2.103 weight 1.000 ! spec=HCH, no=3796, id=6690, vol=2.690000e+06
assign (resid 100 and name HB2) (resid 97 and name HB) 3.335 1.390 1.390 weight 1.000 ! spec=HCH, no=3797, id=6691, vol=9.320000e+06
    or (resid 100 and name HB1) (resid 97 and name HB)
    or (resid 100 and name HB3) (resid 97 and name HB)
assign (resid 97 and name HA) (resid 100 and name HB2) 2.915 1.062 1.062 weight 1.000 ! spec=HCH, no=3801, id=6695, vol=2.090000e+07
    or (resid 97 and name HA) (resid 100 and name HB1)
    or (resid 97 and name HA) (resid 100 and name HB3)
assign (resid 100 and name HB2) (resid 95 and name HE1) 2.933 1.075 1.075 weight 1.000 ! spec=HCH, no=3805, id=6698, vol=2.010000e+07
    or (resid 100 and name HB1) (resid 95 and name HE1)
    or (resid 100 and name HB3) (resid 95 and name HE1)
assign (resid 99 and name HN) (resid 100 and name HB2) 3.278 1.343 1.343 weight 1.000 ! spec=HCH, no=3806, id=6699, vol=1.030000e+07
    or (resid 99 and name HN) (resid 100 and name HB1)
    or (resid 99 and name HN) (resid 100 and name HB3)
assign (resid 100 and name HB2) (resid 99 and name HA) 3.084 1.189 1.189 weight 1.000 ! spec=HCH, no=3807, id=6700, vol=1.490000e+07
    or (resid 100 and name HB1) (resid 99 and name HA)
    or (resid 100 and name HB3) (resid 99 and name HA)
assign (resid 100 and name HN) (resid 100 and name HB2) 2.347 0.688 0.688 weight 1.000 ! spec=HCH, no=3808, id=6701, vol=7.680000e+07
    or (resid 100 and name HN) (resid 100 and name HB1)
    or (resid 100 and name HN) (resid 100 and name HB3)
assign (resid 100 and name HA) (resid 100 and name HB2) 1.997 0.499 0.499 weight 1.000 ! spec=HCH, no=3809, id=6702, vol=2.020000e+08
    or (resid 100 and name HA) (resid 100 and name HB1)
    or (resid 100 and name HA) (resid 100 and name HB3)
assign (resid 100 and name HB2) (resid 100 and name HB1) 1.192 0.178 0.178 weight 1.000 ! spec=HCH, no=3810, id=6703, vol=4.470000e+09
    or (resid 100 and name HB2) (resid 100 and name HB3)
    or (resid 100 and name HB2) (resid 100 and name HB1)
    or (resid 100 and name HB1) (resid 100 and name HB3)
    or (resid 100 and name HB2) (resid 100 and name HB3)
    or (resid 100 and name HB1) (resid 100 and name HB3)
assign (resid 101 and name HN) (resid 100 and name HB2) 2.758 0.951 0.951 weight 1.000 ! spec=HCH, no=3811, id=6704, vol=2.920000e+07
    or (resid 101 and name HN) (resid 100 and name HB1)
    or (resid 101 and name HN) (resid 100 and name HB3)
assign (resid 101 and name HA) (resid 95 and name HE1) 2.760 0.952 0.952 weight 1.000 ! spec=HCH, no=3823, id=6714, vol=2.900000e+07
assign (resid 101 and name HN) (resid 101 and name HA) 2.641 0.872 0.872 weight 1.000 ! spec=HCH, no=3824, id=6715, vol=3.780000e+07
assign (resid 102 and name HN) (resid 101 and name HA) 2.244 0.629 0.629 weight 1.000 ! spec=HCH, no=3827, id=6717, vol=1.000000e+08
assign (resid 101 and name HB2) (resid 103 and name HG2) 3.228 1.302 1.302 weight 1.000 ! spec=HCH, no=3828, id=6718, vol=1.130000e+07
    or (resid 101 and name HB2) (resid 103 and name HG1)
assign (resid 101 and name HB2) (resid 100 and name HB2) 3.868 1.870 1.870 weight 1.000 ! spec=HCH, no=3829, id=6719, vol=3.830000e+06
    or (resid 101 and name HB2) (resid 100 and name HB1)
    or (resid 101 and name HB2) (resid 100 and name HB3)
assign (resid 101 and name HB2) (resid 99 and name HB2) 3.385 1.432 1.432 weight 1.000 ! spec=HCH, no=3831, id=6721, vol=8.520000e+06
assign (resid 101 and name HB1) (resid 100 and name HB2) 3.925 1.926 1.926 weight 1.000 ! spec=HCH, no=3833, id=6723, vol=3.510000e+06
    or (resid 101 and name HB1) (resid 100 and name HB1)
    or (resid 101 and name HB1) (resid 100 and name HB3)
assign (resid 101 and name HB1) (resid 103 and name HG2) 3.069 1.177 1.177 weight 1.000 ! spec=HCH, no=3834, id=6724, vol=1.540000e+07
    or (resid 101 and name HB1) (resid 103 and name HG1)
assign (resid 99 and name HB2) (resid 101 and name HB1) 3.342 1.396 1.396 weight 1.000 ! spec=HCH, no=3835, id=6725, vol=9.200000e+06
assign (resid 101 and name HB2) (resid 101 and name HN) 3.003 1.127 1.127 weight 1.000 ! spec=HCH, no=3838, id=6728, vol=1.750000e+07
assign (resid 101 and name HB1) (resid 101 and name HN) 2.984 1.113 1.113 weight 1.000 ! spec=HCH, no=3839, id=6729, vol=1.820000e+07
assign (resid 101 and name HB2) (resid 101 and name HA) 2.482 0.770 0.770 weight 1.000 ! spec=HCH, no=3840, id=6730, vol=5.490000e+07
assign (resid 101 and name HA) (resid 101 and name HB1) 2.518 0.792 0.792 weight 1.000 ! spec=HCH, no=3841, id=6731, vol=5.030000e+07
assign (resid 101 and name HB2) (resid 102 and name HA) 3.648 1.663 1.663 weight 1.000 ! spec=HCH, no=3846, id=6734, vol=5.440000e+06
assign (resid 101 and name HB2) (resid 103 and name HE2) 3.248 1.319 1.319 weight 1.000 ! spec=HCH, no=3848, id=6736, vol=1.090000e+07
assign (resid 102 and name HA) (resid 102 and name HB2) 3.012 1.134 1.134 weight 1.000 ! spec=HCH, no=3851, id=6738, vol=1.720000e+07
assign (resid 95 and name HA) (resid 102 and name HA) 2.620 0.858 0.858 weight 1.000 ! spec=HCH, no=3855, id=6741, vol=3.970000e+07
assign (resid 101 and name HB1) (resid 102 and name HA) 3.506 1.537 1.537 weight 1.000 ! spec=HCH, no=3857, id=6743, vol=6.900000e+06
assign (resid 102 and name HN) (resid 102 and name HA) 2.361 0.697 0.697 weight 1.000 ! spec=HCH, no=3858, id=6744, vol=7.400000e+07
assign (resid 102 and name HA) (resid 102 and name HB1) 2.840 1.008 1.008 weight 1.000 ! spec=HCH, no=3859, id=6745, vol=2.440000e+07
assign (resid 102 and name HA) (resid 102 and name HD1) 2.889 1.043 1.043 weight 1.000 ! spec=HCH, no=3860, id=6746, vol=2.210000e+07
assign (resid 103 and name HN) (resid 102 and name HA) 2.360 0.696 0.696 weight 1.000 ! spec=HCH, no=3861, id=6747, vol=7.430000e+07
assign (resid 102 and name HA) (resid 103 and name HG2) 3.013 1.135 1.135 weight 1.000 ! spec=HCH, no=3862, id=6748, vol=1.710000e+07
assign (resid 102 and name HB1) (resid 93 and name HB2) 3.361 1.412 1.412 weight 1.000 ! spec=HCH, no=3868, id=6754, vol=8.890000e+06
assign (resid 103 and name HA) (resid 103 and name HB1) 2.609 0.851 0.851 weight 1.000 ! spec=HCH, no=3880, id=6766, vol=4.060000e+07
assign (resid 103 and name HA) (resid 103 and name HB2) 2.868 1.028 1.028 weight 1.000 ! spec=HCH, no=3886, id=6771, vol=2.310000e+07
assign (resid 103 and name HA) (resid 103 and name HG2) 2.397 0.718 0.718 weight 1.000 ! spec=HCH, no=3887, id=6772, vol=6.770000e+07
assign (resid 103 and name HA) (resid 104 and name HB2) 3.546 1.572 1.572 weight 1.000 ! spec=HCH, no=3889, id=6774, vol=6.450000e+06
assign (resid 103 and name HA) (resid 110 and name HB2) 3.665 1.679 1.679 weight 1.000 ! spec=HCH, no=3890, id=6775, vol=5.290000e+06
assign (resid 96 and name HN) (resid 103 and name HB2) 4.120 2.122 2.122 weight 1.000 ! spec=HCH, no=3895, id=6780, vol=2.620000e+06
assign (resid 103 and name HB2) (resid 93 and name HA) 4.182 2.187 2.187 weight 1.000 ! spec=HCH, no=3896, id=6781, vol=2.400000e+06
assign (resid 103 and name HB1) (resid 94 and name HZ) 3.831 1.834 1.834 weight 1.000 ! spec=HCH, no=3897, id=6782, vol=4.060000e+06
assign (resid 103 and name HB1) (resid 94 and name HE1) 3.576 1.599 1.599 weight 1.000 ! spec=HCH, no=3898, id=6783, vol=6.130000e+06
    or (resid 103 and name HB1) (resid 94 and name HE2)
assign (resid 103 and name HB1) (resid 103 and name HE1) 3.905 1.906 1.906 weight 1.000 ! spec=HCH, no=3899, id=6784, vol=3.620000e+06
assign (resid 103 and name HB2) (resid 102 and name HA) 4.077 2.078 2.078 weight 1.000 ! spec=HCH, no=3906, id=6791, vol=2.790000e+06
assign (resid 103 and name HB1) (resid 103 and name HB2) 2.279 0.649 0.649 weight 1.000 ! spec=HCH, no=3908, id=6792, vol=9.160000e+07
assign (resid 103 and name HB1) (resid 103 and name HD1) 3.068 1.177 1.177 weight 1.000 ! spec=HCH, no=3912, id=6795, vol=1.540000e+07
assign (resid 103 and name HB1) (resid 103 and name HG2) 2.628 0.864 0.864 weight 1.000 ! spec=HCH, no=3915, id=6798, vol=3.890000e+07
assign (resid 103 and name HD2) (resid 103 and name HD1) 2.156 0.581 0.581 weight 1.000 ! spec=HCH, no=3916, id=6799, vol=1.280000e+08
assign (resid 103 and name HD2) (resid 103 and name HG2) 2.645 0.874 0.874 weight 1.000 ! spec=HCH, no=3918, id=6801, vol=3.750000e+07
    or (resid 103 and name HD2) (resid 103 and name HG1)
assign (resid 103 and name HD2) (resid 94 and name HE1) 3.312 1.371 1.371 weight 1.000 ! spec=HCH, no=3921, id=6804, vol=9.720000e+06
    or (resid 103 and name HD2) (resid 94 and name HE2)
assign (resid 103 and name HD1) (resid 96 and name HA) 3.778 1.784 1.784 weight 1.000 ! spec=HCH, no=3924, id=6807, vol=4.410000e+06
assign (resid 103 and name HD2) (resid 103 and name HB2) 3.057 1.168 1.168 weight 1.000 ! spec=HCH, no=3925, id=6808, vol=1.570000e+07
assign (resid 103 and name HB2) (resid 103 and name HD1) 3.147 1.238 1.238 weight 1.000 ! spec=HCH, no=3926, id=6809, vol=1.320000e+07
assign (resid 101 and name HB1) (resid 103 and name HE2) 3.113 1.211 1.211 weight 1.000 ! spec=HCH, no=3929, id=6812, vol=1.410000e+07
assign (resid 103 and name HE1) (resid 101 and name HB1) 3.034 1.151 1.151 weight 1.000 ! spec=HCH, no=3930, id=6813, vol=1.640000e+07
assign (resid 103 and name HE1) (resid 99 and name HB2) 3.060 1.170 1.170 weight 1.000 ! spec=HCH, no=3932, id=6815, vol=1.560000e+07
assign (resid 103 and name HB2) (resid 103 and name HE2) 3.630 1.647 1.647 weight 1.000 ! spec=HCH, no=3933, id=6816, vol=5.610000e+06
assign (resid 103 and name HE1) (resid 103 and name HB2) 3.529 1.557 1.557 weight 1.000 ! spec=HCH, no=3934, id=6817, vol=6.640000e+06
assign (resid 103 and name HE2) (resid 103 and name HD2) 2.806 0.984 0.984 weight 1.000 ! spec=HCH, no=3935, id=6818, vol=2.630000e+07
assign (resid 103 and name HE2) (resid 103 and name HD1) 2.861 1.023 1.023 weight 1.000 ! spec=HCH, no=3936, id=6819, vol=2.340000e+07
assign (resid 103 and name HE2) (resid 103 and name HE1) 1.823 0.415 0.415 weight 1.000 ! spec=HCH, no=3937, id=6820, vol=3.500000e+08
assign (resid 103 and name HE2) (resid 103 and name HG2) 2.690 0.905 0.905 weight 1.000 ! spec=HCH, no=3938, id=6821, vol=3.380000e+07
assign (resid 103 and name HE1) (resid 103 and name HG2) 2.453 0.752 0.752 weight 1.000 ! spec=HCH, no=3939, id=6822, vol=5.880000e+07
assign (resid 103 and name HG2) (resid 94 and name HD1) 4.034 2.034 2.034 weight 1.000 ! spec=HCH, no=3950, id=6832, vol=2.970000e+06
assign (resid 103 and name HG2) (resid 96 and name HB2) 2.935 1.077 1.077 weight 1.000 ! spec=HCH, no=3951, id=6833, vol=2.000000e+07
assign (resid 103 and name HB2) (resid 103 and name HG2) 2.669 0.890 0.890 weight 1.000 ! spec=HCH, no=3953, id=6835, vol=3.550000e+07
assign (resid 103 and name HD2) (resid 103 and name HG2) 2.377 0.706 0.706 weight 1.000 ! spec=HCH, no=3954, id=6836, vol=7.110000e+07
assign (resid 103 and name HD1) (resid 103 and name HG2) 2.553 0.815 0.815 weight 1.000 ! spec=HCH, no=3955, id=6837, vol=4.630000e+07
assign (resid 104 and name HA) (resid 105 and name HB2) 3.442 1.481 1.481 weight 1.000 ! spec=HCH, no=3962, id=6843, vol=7.710000e+06
assign (resid 104 and name HA) (resid 93 and name HN) 3.783 1.789 1.789 weight 1.000 ! spec=HCH, no=3964, id=6845, vol=4.380000e+06
assign (resid 104 and name HA) (resid 93 and name HG2) 3.502 1.533 1.533 weight 1.000 ! spec=HCH, no=3967, id=6848, vol=6.950000e+06
    or (resid 104 and name HA) (resid 93 and name HG1)
assign (resid 104 and name HA) (resid 94 and name HN) 3.372 1.421 1.421 weight 1.000 ! spec=HCH, no=3968, id=6849, vol=8.730000e+06
assign (resid 104 and name HA) (resid 104 and name HB2) 3.115 1.213 1.213 weight 1.000 ! spec=HCH, no=3970, id=6851, vol=1.400000e+07
assign (resid 104 and name HA) (resid 104 and name HB1) 3.073 1.180 1.180 weight 1.000 ! spec=HCH, no=3971, id=6852, vol=1.520000e+07
assign (resid 104 and name HB2) (resid 107 and name HN) 3.871 1.873 1.873 weight 1.000 ! spec=HCH, no=3975, id=6856, vol=3.810000e+06
assign (resid 104 and name HB1) (resid 103 and name HA) 3.955 1.956 1.956 weight 1.000 ! spec=HCH, no=3978, id=6859, vol=3.350000e+06
assign (resid 104 and name HB1) (resid 104 and name HB2) 2.797 0.978 0.978 weight 1.000 ! spec=HCH, no=3988, id=6868, vol=2.680000e+07
assign (resid 104 and name HB1) (resid 105 and name HN) 3.663 1.677 1.677 weight 1.000 ! spec=HCH, no=3994, id=6874, vol=5.310000e+06
assign (resid 105 and name HA) (resid 105 and name HB2) 2.963 1.098 1.098 weight 1.000 ! spec=HCH, no=4002, id=6880, vol=1.890000e+07
assign (resid 105 and name HB2) (resid 107 and name HN) 4.040 2.040 2.040 weight 1.000 ! spec=HCH, no=4004, id=6882, vol=2.950000e+06
assign (resid 105 and name HB1) (resid 62 and name HA) 4.119 2.121 2.121 weight 1.000 ! spec=HCH, no=4013, id=6891, vol=2.620000e+06
assign (resid 105 and name HB1) (resid 104 and name HA) 3.967 1.967 1.967 weight 1.000 ! spec=HCH, no=4017, id=6895, vol=3.290000e+06
assign (resid 105 and name HB1) (resid 63 and name HN) 3.935 1.935 1.935 weight 1.000 ! spec=HCH, no=4020, id=6898, vol=3.460000e+06
assign (resid 105 and name HB2) (resid 104 and name HE3) 3.632 1.649 1.649 weight 1.000 ! spec=HCH, no=4021, id=6899, vol=5.590000e+06
assign (resid 105 and name HB1) (resid 105 and name HA) 3.022 1.141 1.141 weight 1.000 ! spec=HCH, no=4025, id=6903, vol=1.680000e+07
assign (resid 105 and name HB1) (resid 105 and name HB2) 2.578 0.831 0.831 weight 1.000 ! spec=HCH, no=4026, id=6904, vol=4.370000e+07
assign (resid 105 and name HB1) (resid 106 and name HA) 3.458 1.495 1.495 weight 1.000 ! spec=HCH, no=4032, id=6910, vol=7.500000e+06
assign (resid 106 and name HA) (resid 106 and name HB2) 2.451 0.751 0.751 weight 1.000 ! spec=HCH, no=4035, id=6912, vol=5.920000e+07
assign (resid 106 and name HA) (resid 106 and name HB1) 2.403 0.722 0.722 weight 1.000 ! spec=HCH, no=4036, id=6913, vol=6.670000e+07
assign (resid 106 and name HA) (resid 107 and name HN) 3.109 1.208 1.208 weight 1.000 ! spec=HCH, no=4037, id=6914, vol=1.420000e+07
assign (resid 106 and name HB1) (resid 106 and name HN) 3.320 1.378 1.378 weight 1.000 ! spec=HCH, no=4043, id=6920, vol=9.570000e+06
assign (resid 106 and name HB1) (resid 106 and name HB2) 2.524 0.796 0.796 weight 1.000 ! spec=HCH, no=4046, id=6923, vol=4.960000e+07
assign (resid 107 and name HA) (resid 107 and name HB1) 2.505 0.784 0.784 weight 1.000 ! spec=HCH, no=4051, id=6927, vol=5.190000e+07
assign (resid 107 and name HN) (resid 107 and name HB1) 3.110 1.209 1.209 weight 1.000 ! spec=HCH, no=4060, id=6936, vol=1.420000e+07
assign (resid 107 and name HA) (resid 107 and name HB2) 2.616 0.855 0.855 weight 1.000 ! spec=HCH, no=4061, id=6937, vol=4.000000e+07
assign (resid 107 and name HB1) (resid 107 and name HB2) 1.766 0.390 0.390 weight 1.000 ! spec=HCH, no=4065, id=6940, vol=4.220000e+08
assign (resid 107 and name HD22) (resid 107 and name HB1) 3.255 1.324 1.324 weight 1.000 ! spec=HCH, no=4071, id=6945, vol=1.080000e+07
assign (resid 108 and name HN) (resid 107 and name HB1) 3.899 1.900 1.900 weight 1.000 ! spec=HCH, no=4073, id=6947, vol=3.650000e+06
assign (resid 108 and name HA) (resid 104 and name HB2) 3.455 1.492 1.492 weight 1.000 ! spec=HCH, no=4074, id=6948, vol=7.540000e+06
assign (resid 108 and name HA) (resid 108 and name HB2) 2.624 0.861 0.861 weight 1.000 ! spec=HCH, no=4076, id=6950, vol=3.920000e+07
assign (resid 108 and name HA) (resid 108 and name HB1) 2.557 0.818 0.818 weight 1.000 ! spec=HCH, no=4077, id=6951, vol=4.580000e+07
assign (resid 109 and name HN) (resid 108 and name HA) 2.522 0.795 0.795 weight 1.000 ! spec=HCH, no=4078, id=6952, vol=4.990000e+07
assign (resid 108 and name HN) (resid 108 and name HB1) 3.017 1.137 1.137 weight 1.000 ! spec=HCH, no=4083, id=6957, vol=1.700000e+07
assign (resid 109 and name HN) (resid 109 and name HA) 2.737 0.936 0.936 weight 1.000 ! spec=HCH, no=4087, id=6961, vol=3.050000e+07
assign (resid 109 and name HA) (resid 109 and name HB2) 2.350 0.690 0.690 weight 1.000 ! spec=HCH, no=4089, id=6962, vol=7.610000e+07
assign (resid 109 and name HB2) (resid 111 and name HG21) 2.530 0.800 0.800 weight 1.000 ! spec=HCH, no=4094, id=6967, vol=4.890000e+07
    or (resid 109 and name HB2) (resid 111 and name HG22)
    or (resid 109 and name HB2) (resid 111 and name HG23)
assign (resid 110 and name HN) (resid 109 and name HB2) 2.977 1.108 1.108 weight 1.000 ! spec=HCH, no=4097, id=6970, vol=1.840000e+07
assign (resid 110 and name HA) (resid 111 and name HA) 3.219 1.295 1.295 weight 1.000 ! spec=HCH, no=4100, id=6973, vol=1.150000e+07
assign (resid 110 and name HA) (resid 110 and name HB2) 2.741 0.939 0.939 weight 1.000 ! spec=HCH, no=4105, id=6977, vol=3.030000e+07
assign (resid 110 and name HA) (resid 110 and name HB1) 2.874 1.033 1.033 weight 1.000 ! spec=HCH, no=4106, id=6978, vol=2.270000e+07
assign (resid 110 and name HA) (resid 110 and name HG2) 3.036 1.153 1.153 weight 1.000 ! spec=HCH, no=4107, id=6979, vol=1.640000e+07
assign (resid 110 and name HA) (resid 110 and name HG1) 3.072 1.179 1.179 weight 1.000 ! spec=HCH, no=4108, id=6980, vol=1.530000e+07
assign (resid 110 and name HB1) (resid 110 and name HB2) 2.300 0.661 0.661 weight 1.000 ! spec=HCH, no=4126, id=6998, vol=8.660000e+07
assign (resid 110 and name HE2) (resid 104 and name HN) 3.518 1.547 1.547 weight 1.000 ! spec=HCH, no=4133, id=7004, vol=6.770000e+06
    or (resid 110 and name HE1) (resid 104 and name HN)
    or (resid 110 and name HE3) (resid 104 and name HN)
assign (resid 110 and name HE2) (resid 104 and name HZ2) 3.298 1.360 1.360 weight 1.000 ! spec=HCH, no=4135, id=7006, vol=9.960000e+06
    or (resid 110 and name HE1) (resid 104 and name HZ2)
    or (resid 110 and name HE3) (resid 104 and name HZ2)
assign (resid 110 and name HE2) (resid 104 and name HB2) 3.243 1.315 1.315 weight 1.000 ! spec=HCH, no=4137, id=7008, vol=1.100000e+07
    or (resid 110 and name HE1) (resid 104 and name HB2)
    or (resid 110 and name HE3) (resid 104 and name HB2)
assign (resid 110 and name HE2) (resid 102 and name HB2) 2.768 0.958 0.958 weight 1.000 ! spec=HCH, no=4148, id=7018, vol=2.850000e+07
    or (resid 110 and name HE1) (resid 102 and name HB2)
    or (resid 110 and name HE3) (resid 102 and name HB2)
assign (resid 110 and name HG2) (resid 113 and name HB2) 3.660 1.675 1.675 weight 1.000 ! spec=HCH, no=4158, id=7028, vol=5.330000e+06
assign (resid 110 and name HG1) (resid 113 and name HB2) 3.894 1.895 1.895 weight 1.000 ! spec=HCH, no=4159, id=7029, vol=3.680000e+06
assign (resid 110 and name HG1) (resid 111 and name HA) 4.040 2.040 2.040 weight 1.000 ! spec=HCH, no=4163, id=7033, vol=2.950000e+06
assign (resid 110 and name HG2) (resid 104 and name HD1) 3.990 1.990 1.990 weight 1.000 ! spec=HCH, no=4166, id=7036, vol=3.180000e+06
assign (resid 110 and name HG2) (resid 110 and name HB1) 2.541 0.807 0.807 weight 1.000 ! spec=HCH, no=4174, id=7044, vol=4.770000e+07
assign (resid 110 and name HB1) (resid 110 and name HG1) 2.590 0.838 0.838 weight 1.000 ! spec=HCH, no=4175, id=7045, vol=4.250000e+07
assign (resid 110 and name HG1) (resid 110 and name HG2) 1.904 0.453 0.453 weight 1.000 ! spec=HCH, no=4177, id=7046, vol=2.690000e+08
assign (resid 110 and name HG2) (resid 110 and name HE2) 2.861 1.023 1.023 weight 1.000 ! spec=HCH, no=4180, id=7048, vol=2.340000e+07
    or (resid 110 and name HG2) (resid 110 and name HE1)
    or (resid 110 and name HG2) (resid 110 and name HE3)
assign (resid 110 and name HG1) (resid 110 and name HE2) 2.792 0.975 0.975 weight 1.000 ! spec=HCH, no=4181, id=7049, vol=2.700000e+07
    or (resid 110 and name HG1) (resid 110 and name HE1)
    or (resid 110 and name HG1) (resid 110 and name HE3)
assign (resid 111 and name HG21) (resid 67 and name HB1) 3.651 1.666 1.666 weight 1.000 ! spec=HCH, no=4190, id=7057, vol=5.420000e+06
    or (resid 111 and name HG22) (resid 67 and name HB1)
    or (resid 111 and name HG23) (resid 67 and name HB1)
assign (resid 109 and name HB2) (resid 111 and name HG21) 2.206 0.608 0.608 weight 1.000 ! spec=HCH, no=4192, id=7059, vol=1.110000e+08
    or (resid 111 and name HG21) (resid 109 and name HB1)
    or (resid 109 and name HB2) (resid 111 and name HG22)
    or (resid 111 and name HG22) (resid 109 and name HB1)
    or (resid 109 and name HB2) (resid 111 and name HG23)
    or (resid 111 and name HG23) (resid 109 and name HB1)
assign (resid 109 and name HN) (resid 111 and name HG21) 3.508 1.538 1.538 weight 1.000 ! spec=HCH, no=4195, id=7062, vol=6.880000e+06
    or (resid 109 and name HN) (resid 111 and name HG22)
    or (resid 109 and name HN) (resid 111 and name HG23)
assign (resid 111 and name HG21) (resid 104 and name HD1) 3.619 1.637 1.637 weight 1.000 ! spec=HCH, no=4196, id=7063, vol=5.710000e+06
    or (resid 111 and name HG22) (resid 104 and name HD1)
    or (resid 111 and name HG23) (resid 104 and name HD1)
assign (resid 111 and name HG21) (resid 104 and name HE1) 3.730 1.739 1.739 weight 1.000 ! spec=HCH, no=4197, id=7064, vol=4.760000e+06
    or (resid 111 and name HG22) (resid 104 and name HE1)
    or (resid 111 and name HG23) (resid 104 and name HE1)
assign (resid 110 and name HN) (resid 111 and name HG21) 3.472 1.507 1.507 weight 1.000 ! spec=HCH, no=4198, id=7065, vol=7.320000e+06
    or (resid 110 and name HN) (resid 111 and name HG22)
    or (resid 110 and name HN) (resid 111 and name HG23)
assign (resid 111 and name HG21) (resid 110 and name HA) 3.701 1.712 1.712 weight 1.000 ! spec=HCH, no=4199, id=7066, vol=4.990000e+06
    or (resid 111 and name HG22) (resid 110 and name HA)
    or (resid 111 and name HG23) (resid 110 and name HA)
assign (resid 111 and name HG21) (resid 111 and name HA) 2.015 0.508 0.508 weight 1.000 ! spec=HCH, no=4200, id=7067, vol=1.910000e+08
    or (resid 111 and name HG22) (resid 111 and name HA)
    or (resid 111 and name HG23) (resid 111 and name HA)
assign (resid 111 and name HG21) (resid 111 and name HB) 2.232 0.623 0.623 weight 1.000 ! spec=HCH, no=4201, id=7068, vol=1.040000e+08
    or (resid 111 and name HG22) (resid 111 and name HB)
    or (resid 111 and name HG23) (resid 111 and name HB)
assign (resid 111 and name HG21) (resid 111 and name HG22) 1.155 0.167 0.167 weight 1.000 ! spec=HCH, no=4202, id=7069, vol=5.410000e+09
    or (resid 111 and name HG21) (resid 111 and name HG23)
    or (resid 111 and name HG21) (resid 111 and name HG22)
    or (resid 111 and name HG22) (resid 111 and name HG23)
    or (resid 111 and name HG21) (resid 111 and name HG23)
    or (resid 111 and name HG22) (resid 111 and name HG23)
assign (resid 112 and name HB2) (resid 112 and name HD1) 2.709 0.917 0.917 weight 1.000 ! spec=HCH, no=4205, id=7072, vol=3.240000e+07
    or (resid 112 and name HB2) (resid 112 and name HD2)
assign (resid 112 and name HB1) (resid 67 and name HA) 3.209 1.287 1.287 weight 1.000 ! spec=HCH, no=4211, id=7078, vol=1.180000e+07
assign (resid 113 and name HN) (resid 112 and name HB1) 3.489 1.522 1.522 weight 1.000 ! spec=HCH, no=4212, id=7079, vol=7.110000e+06
assign (resid 112 and name HB1) (resid 68 and name HD21) 3.933 1.933 1.933 weight 1.000 ! spec=HCH, no=4213, id=7080, vol=3.470000e+06
assign (resid 112 and name HB1) (resid 112 and name HD1) 2.649 0.877 0.877 weight 1.000 ! spec=HCH, no=4214, id=7081, vol=3.710000e+07
    or (resid 112 and name HB1) (resid 112 and name HD2)
assign (resid 112 and name HB2) (resid 66 and name HB) 3.765 1.772 1.772 weight 1.000 ! spec=HCH, no=4215, id=7082, vol=4.500000e+06
assign (resid 112 and name HB1) (resid 66 and name HG22) 3.620 1.638 1.638 weight 1.000 ! spec=HCH, no=4216, id=7083, vol=5.700000e+06
    or (resid 112 and name HB1) (resid 66 and name HG21)
    or (resid 112 and name HB1) (resid 66 and name HG23)
assign (resid 112 and name HB1) (resid 68 and name HA) 3.454 1.491 1.491 weight 1.000 ! spec=HCH, no=4217, id=7084, vol=7.560000e+06
assign (resid 112 and name HB2) (resid 112 and name HA) 2.948 1.086 1.086 weight 1.000 ! spec=HCH, no=4220, id=7087, vol=1.950000e+07
assign (resid 112 and name HB1) (resid 112 and name HA) 2.758 0.951 0.951 weight 1.000 ! spec=HCH, no=4221, id=7088, vol=2.920000e+07
assign (resid 112 and name HB1) (resid 112 and name HB2) 2.440 0.744 0.744 weight 1.000 ! spec=HCH, no=4223, id=7089, vol=6.070000e+07
assign (resid 113 and name HA) (resid 113 and name HN) 3.118 1.215 1.215 weight 1.000 ! spec=HCH, no=4226, id=7092, vol=1.390000e+07
assign (resid 113 and name HA) (resid 112 and name HD1) 3.180 1.264 1.264 weight 1.000 ! spec=HCH, no=4227, id=7093, vol=1.240000e+07
    or (resid 113 and name HA) (resid 112 and name HD2)
assign (resid 113 and name HA) (resid 114 and name HB2) 4.069 2.069 2.069 weight 1.000 ! spec=HCH, no=4228, id=7094, vol=2.830000e+06
assign (resid 113 and name HA) (resid 114 and name HG2) 3.515 1.545 1.545 weight 1.000 ! spec=HCH, no=4229, id=7095, vol=6.800000e+06
assign (resid 113 and name HA) (resid 115 and name HN) 3.408 1.452 1.452 weight 1.000 ! spec=HCH, no=4231, id=7097, vol=8.180000e+06
assign (resid 113 and name HA) (resid 114 and name HB1) 3.642 1.658 1.658 weight 1.000 ! spec=HCH, no=4232, id=7098, vol=5.500000e+06
assign (resid 113 and name HA) (resid 66 and name HB) 3.987 1.987 1.987 weight 1.000 ! spec=HCH, no=4233, id=7099, vol=3.190000e+06
assign (resid 113 and name HA) (resid 113 and name HB2) 2.560 0.819 0.819 weight 1.000 ! spec=HCH, no=4236, id=7101, vol=4.550000e+07
assign (resid 113 and name HA) (resid 113 and name HB1) 2.563 0.821 0.821 weight 1.000 ! spec=HCH, no=4237, id=7102, vol=4.530000e+07
assign (resid 113 and name HA) (resid 114 and name HA) 3.664 1.678 1.678 weight 1.000 ! spec=HCH, no=4239, id=7104, vol=5.300000e+06
assign (resid 115 and name HE1) (resid 113 and name HA) 3.880 1.882 1.882 weight 1.000 ! spec=HCH, no=4240, id=7105, vol=3.760000e+06
assign (resid 113 and name HB2) (resid 114 and name HA) 3.759 1.766 1.766 weight 1.000 ! spec=HCH, no=4245, id=7110, vol=4.540000e+06
assign (resid 113 and name HB2) (resid 91 and name HD22) 3.870 1.873 1.873 weight 1.000 ! spec=HCH, no=4248, id=7113, vol=3.810000e+06
    or (resid 113 and name HB2) (resid 91 and name HD21)
    or (resid 113 and name HB2) (resid 91 and name HD23)
assign (resid 114 and name HN) (resid 113 and name HB1) 2.917 1.063 1.063 weight 1.000 ! spec=HCH, no=4259, id=7124, vol=2.080000e+07
assign (resid 113 and name HB1) (resid 115 and name HN) 3.499 1.530 1.530 weight 1.000 ! spec=HCH, no=4264, id=7129, vol=6.990000e+06
assign (resid 113 and name HB1) (resid 104 and name HZ2) 4.191 2.196 2.196 weight 1.000 ! spec=HCH, no=4265, id=7130, vol=2.370000e+06
assign (resid 113 and name HB1) (resid 113 and name HB2) 2.295 0.658 0.658 weight 1.000 ! spec=HCH, no=4269, id=7134, vol=8.790000e+07
assign (resid 113 and name HB1) (resid 138 and name HE3) 3.587 1.609 1.609 weight 1.000 ! spec=HCH, no=4273, id=7137, vol=6.020000e+06
assign (resid 113 and name HB2) (resid 138 and name HH2) 3.784 1.790 1.790 weight 1.000 ! spec=HCH, no=4274, id=7138, vol=4.370000e+06
assign (resid 114 and name HA) (resid 112 and name HD1) 3.715 1.726 1.726 weight 1.000 ! spec=HCH, no=4279, id=7143, vol=4.870000e+06
    or (resid 114 and name HA) (resid 112 and name HD2)
assign (resid 114 and name HA) (resid 114 and name HB2) 2.698 0.910 0.910 weight 1.000 ! spec=HCH, no=4284, id=7147, vol=3.320000e+07
assign (resid 114 and name HA) (resid 114 and name HB1) 2.625 0.861 0.861 weight 1.000 ! spec=HCH, no=4285, id=7148, vol=3.920000e+07
assign (resid 114 and name HA) (resid 114 and name HG2) 2.726 0.929 0.929 weight 1.000 ! spec=HCH, no=4286, id=7149, vol=3.120000e+07
assign (resid 114 and name HA) (resid 114 and name HG1) 2.759 0.952 0.952 weight 1.000 ! spec=HCH, no=4287, id=7150, vol=2.910000e+07
assign (resid 114 and name HA) (resid 115 and name HA) 3.715 1.725 1.725 weight 1.000 ! spec=HCH, no=4289, id=7152, vol=4.880000e+06
assign (resid 114 and name HB2) (resid 138 and name HB1) 3.805 1.810 1.810 weight 1.000 ! spec=HCH, no=4290, id=7153, vol=4.220000e+06
assign (resid 114 and name HB2) (resid 113 and name HB2) 3.672 1.686 1.686 weight 1.000 ! spec=HCH, no=4302, id=7165, vol=5.230000e+06
assign (resid 114 and name HN) (resid 114 and name HB1) 3.022 1.142 1.142 weight 1.000 ! spec=HCH, no=4305, id=7168, vol=1.680000e+07
assign (resid 114 and name HB1) (resid 114 and name HB2) 2.313 0.669 0.669 weight 1.000 ! spec=HCH, no=4309, id=7171, vol=8.360000e+07
assign (resid 114 and name HB2) (resid 114 and name HG1) 2.773 0.961 0.961 weight 1.000 ! spec=HCH, no=4312, id=7173, vol=2.820000e+07
assign (resid 114 and name HB1) (resid 114 and name HG1) 2.588 0.837 0.837 weight 1.000 ! spec=HCH, no=4313, id=7174, vol=4.270000e+07
assign (resid 114 and name HB2) (resid 137 and name HA) 3.352 1.405 1.405 weight 1.000 ! spec=HCH, no=4314, id=7175, vol=9.040000e+06
assign (resid 114 and name HB1) (resid 138 and name HN) 3.415 1.458 1.458 weight 1.000 ! spec=HCH, no=4318, id=7179, vol=8.090000e+06
assign (resid 114 and name HD2) (resid 114 and name HB2) 3.296 1.358 1.358 weight 1.000 ! spec=HCH, no=4322, id=7183, vol=1.000000e+07
assign (resid 114 and name HD1) (resid 112 and name HD1) 3.308 1.368 1.368 weight 1.000 ! spec=HCH, no=4325, id=7186, vol=9.790000e+06
    or (resid 114 and name HD1) (resid 112 and name HD2)
assign (resid 114 and name HD1) (resid 114 and name HB2) 3.322 1.379 1.379 weight 1.000 ! spec=HCH, no=4327, id=7188, vol=9.540000e+06
assign (resid 114 and name HD2) (resid 112 and name HE1) 2.919 1.065 1.065 weight 1.000 ! spec=HCH, no=4328, id=7189, vol=2.070000e+07
assign (resid 114 and name HD1) (resid 112 and name HE1) 2.927 1.071 1.071 weight 1.000 ! spec=HCH, no=4329, id=7190, vol=2.040000e+07
assign (resid 114 and name HD2) (resid 114 and name HA) 3.110 1.209 1.209 weight 1.000 ! spec=HCH, no=4332, id=7193, vol=1.420000e+07
assign (resid 114 and name HD1) (resid 114 and name HA) 3.066 1.175 1.175 weight 1.000 ! spec=HCH, no=4333, id=7194, vol=1.540000e+07
assign (resid 114 and name HD2) (resid 114 and name HE1) 2.692 0.906 0.906 weight 1.000 ! spec=HCH, no=4334, id=7195, vol=3.370000e+07
assign (resid 114 and name HD1) (resid 114 and name HE1) 2.628 0.864 0.864 weight 1.000 ! spec=HCH, no=4335, id=7196, vol=3.890000e+07
assign (resid 72 and name HD21) (resid 114 and name HE2) 3.327 1.383 1.383 weight 1.000 ! spec=HCH, no=4336, id=7197, vol=9.460000e+06
assign (resid 72 and name HD22) (resid 114 and name HE2) 3.374 1.423 1.423 weight 1.000 ! spec=HCH, no=4339, id=7200, vol=8.690000e+06
assign (resid 114 and name HE1) (resid 114 and name HG1) 2.620 0.858 0.858 weight 1.000 ! spec=HCH, no=4341, id=7202, vol=3.970000e+07
assign (resid 114 and name HE2) (resid 114 and name HA) 3.652 1.667 1.667 weight 1.000 ! spec=HCH, no=4343, id=7204, vol=5.410000e+06
assign (resid 114 and name HE2) (resid 114 and name HB2) 3.310 1.370 1.370 weight 1.000 ! spec=HCH, no=4344, id=7205, vol=9.740000e+06
assign (resid 114 and name HB2) (resid 114 and name HE1) 3.425 1.466 1.466 weight 1.000 ! spec=HCH, no=4345, id=7206, vol=7.950000e+06
assign (resid 114 and name HE2) (resid 114 and name HB1) 2.822 0.996 0.996 weight 1.000 ! spec=HCH, no=4346, id=7207, vol=2.540000e+07
assign (resid 114 and name HB1) (resid 114 and name HE1) 2.614 0.854 0.854 weight 1.000 ! spec=HCH, no=4347, id=7208, vol=4.020000e+07
assign (resid 114 and name HE2) (resid 114 and name HD2) 2.719 0.924 0.924 weight 1.000 ! spec=HCH, no=4348, id=7209, vol=3.180000e+07
assign (resid 114 and name HD1) (resid 114 and name HE2) 2.806 0.984 0.984 weight 1.000 ! spec=HCH, no=4349, id=7210, vol=2.630000e+07
assign (resid 114 and name HE2) (resid 114 and name HE1) 1.808 0.408 0.408 weight 1.000 ! spec=HCH, no=4351, id=7211, vol=3.680000e+08
assign (resid 114 and name HE2) (resid 136 and name HA2) 3.793 1.799 1.799 weight 1.000 ! spec=HCH, no=4352, id=7212, vol=4.310000e+06
assign (resid 114 and name HE2) (resid 136 and name HA1) 3.605 1.625 1.625 weight 1.000 ! spec=HCH, no=4353, id=7213, vol=5.840000e+06
assign (resid 114 and name HE2) (resid 137 and name HA) 3.133 1.227 1.227 weight 1.000 ! spec=HCH, no=4354, id=7214, vol=1.350000e+07
assign (resid 114 and name HE2) (resid 137 and name HG2) 3.263 1.331 1.331 weight 1.000 ! spec=HCH, no=4355, id=7215, vol=1.060000e+07
assign (resid 114 and name HG2) (resid 114 and name HB2) 2.858 1.021 1.021 weight 1.000 ! spec=HCH, no=4356, id=7216, vol=2.350000e+07
assign (resid 114 and name HG2) (resid 114 and name HB1) 2.566 0.823 0.823 weight 1.000 ! spec=HCH, no=4357, id=7217, vol=4.490000e+07
assign (resid 114 and name HG1) (resid 137 and name HA) 3.448 1.486 1.486 weight 1.000 ! spec=HCH, no=4364, id=7224, vol=7.630000e+06
assign (resid 114 and name HG1) (resid 138 and name HN) 3.882 1.884 1.884 weight 1.000 ! spec=HCH, no=4365, id=7225, vol=3.750000e+06
assign (resid 114 and name HG2) (resid 138 and name HE1) 3.879 1.881 1.881 weight 1.000 ! spec=HCH, no=4366, id=7226, vol=3.760000e+06
assign (resid 114 and name HG1) (resid 138 and name HE1) 3.832 1.835 1.835 weight 1.000 ! spec=HCH, no=4367, id=7227, vol=4.050000e+06
assign (resid 115 and name HA) (resid 115 and name HZ3) 3.371 1.420 1.420 weight 1.000 ! spec=HCH, no=4372, id=7232, vol=8.750000e+06
assign (resid 115 and name HA) (resid 115 and name HB2) 2.813 0.989 0.989 weight 1.000 ! spec=HCH, no=4374, id=7234, vol=2.590000e+07
assign (resid 115 and name HA) (resid 115 and name HB1) 2.682 0.899 0.899 weight 1.000 ! spec=HCH, no=4378, id=7237, vol=3.450000e+07
assign (resid 115 and name HA) (resid 115 and name HE3) 2.648 0.876 0.876 weight 1.000 ! spec=HCH, no=4379, id=7238, vol=3.720000e+07
assign (resid 115 and name HA) (resid 138 and name HB2) 2.754 0.948 0.948 weight 1.000 ! spec=HCH, no=4381, id=7240, vol=2.940000e+07
assign (resid 115 and name HB1) (resid 140 and name HE2) 3.993 1.993 1.993 weight 1.000 ! spec=HCH, no=4387, id=7246, vol=3.160000e+06
assign (resid 115 and name HB1) (resid 115 and name HZ3) 3.452 1.490 1.490 weight 1.000 ! spec=HCH, no=4388, id=7247, vol=7.580000e+06
assign (resid 115 and name HB1) (resid 138 and name HB2) 3.779 1.785 1.785 weight 1.000 ! spec=HCH, no=4389, id=7248, vol=4.400000e+06
assign (resid 115 and name HN) (resid 115 and name HB1) 3.087 1.191 1.191 weight 1.000 ! spec=HCH, no=4393, id=7252, vol=1.480000e+07
assign (resid 115 and name HB1) (resid 115 and name HB2) 2.298 0.660 0.660 weight 1.000 ! spec=HCH, no=4397, id=7255, vol=8.720000e+07
assign (resid 115 and name HE1) (resid 115 and name HB1) 3.947 1.947 1.947 weight 1.000 ! spec=HCH, no=4400, id=7257, vol=3.390000e+06
assign (resid 115 and name HB1) (resid 115 and name HE3) 3.265 1.332 1.332 weight 1.000 ! spec=HCH, no=4401, id=7258, vol=1.060000e+07
assign (resid 116 and name HA) (resid 117 and name HB2) 3.216 1.292 1.292 weight 1.000 ! spec=HCH, no=4407, id=7264, vol=1.160000e+07
    or (resid 116 and name HA) (resid 117 and name HB1)
assign (resid 116 and name HA) (resid 116 and name HG21) 2.482 0.770 0.770 weight 1.000 ! spec=HCH, no=4409, id=7266, vol=5.480000e+07
    or (resid 116 and name HA) (resid 116 and name HG22)
    or (resid 116 and name HA) (resid 116 and name HG23)
assign (resid 116 and name HN) (resid 116 and name HA) 2.600 0.845 0.845 weight 1.000 ! spec=HCH, no=4411, id=7268, vol=4.150000e+07
assign (resid 116 and name HA) (resid 116 and name HB) 2.324 0.675 0.675 weight 1.000 ! spec=HCH, no=4413, id=7269, vol=8.140000e+07
assign (resid 116 and name HA) (resid 137 and name HB1) 3.140 1.232 1.232 weight 1.000 ! spec=HCH, no=4414, id=7270, vol=1.340000e+07
assign (resid 116 and name HA) (resid 137 and name HG2) 3.014 1.135 1.135 weight 1.000 ! spec=HCH, no=4415, id=7271, vol=1.710000e+07
assign (resid 115 and name HA) (resid 116 and name HB) 3.543 1.569 1.569 weight 1.000 ! spec=HCH, no=4422, id=7278, vol=6.480000e+06
assign (resid 117 and name HN) (resid 116 and name HB) 2.783 0.968 0.968 weight 1.000 ! spec=HCH, no=4427, id=7282, vol=2.760000e+07
assign (resid 116 and name HB) (resid 137 and name HB2) 2.790 0.973 0.973 weight 1.000 ! spec=HCH, no=4429, id=7284, vol=2.720000e+07
assign (resid 116 and name HB) (resid 137 and name HB1) 3.075 1.182 1.182 weight 1.000 ! spec=HCH, no=4430, id=7285, vol=1.520000e+07
assign (resid 116 and name HG21) (resid 118 and name HB2) 2.567 0.824 0.824 weight 1.000 ! spec=HCH, no=4439, id=7291, vol=4.480000e+07
    or (resid 116 and name HG22) (resid 118 and name HB2)
    or (resid 116 and name HG23) (resid 118 and name HB2)
assign (resid 115 and name HA) (resid 116 and name HG21) 3.004 1.128 1.128 weight 1.000 ! spec=HCH, no=4441, id=7293, vol=1.740000e+07
    or (resid 115 and name HA) (resid 116 and name HG22)
    or (resid 115 and name HA) (resid 116 and name HG23)
assign (resid 115 and name HB1) (resid 116 and name HG21) 3.422 1.463 1.463 weight 1.000 ! spec=HCH, no=4442, id=7294, vol=7.990000e+06
    or (resid 115 and name HB1) (resid 116 and name HG22)
    or (resid 115 and name HB1) (resid 116 and name HG23)
assign (resid 116 and name HN) (resid 116 and name HG21) 2.386 0.712 0.712 weight 1.000 ! spec=HCH, no=4444, id=7296, vol=6.950000e+07
    or (resid 116 and name HN) (resid 116 and name HG22)
    or (resid 116 and name HN) (resid 116 and name HG23)
assign (resid 116 and name HB) (resid 116 and name HG21) 2.146 0.576 0.576 weight 1.000 ! spec=HCH, no=4445, id=7297, vol=1.310000e+08
    or (resid 116 and name HB) (resid 116 and name HG22)
    or (resid 116 and name HB) (resid 116 and name HG23)
assign (resid 117 and name HN) (resid 116 and name HG21) 2.620 0.858 0.858 weight 1.000 ! spec=HCH, no=4446, id=7298, vol=3.970000e+07
    or (resid 117 and name HN) (resid 116 and name HG22)
    or (resid 117 and name HN) (resid 116 and name HG23)
assign (resid 116 and name HG21) (resid 139 and name HA) 2.608 0.850 0.850 weight 1.000 ! spec=HCH, no=4451, id=7303, vol=4.080000e+07
    or (resid 116 and name HG22) (resid 139 and name HA)
    or (resid 116 and name HG23) (resid 139 and name HA)
assign (resid 117 and name HN) (resid 117 and name HA) 2.397 0.718 0.718 weight 1.000 ! spec=HCH, no=4454, id=7306, vol=6.770000e+07
assign (resid 117 and name HA) (resid 118 and name HN) 2.308 0.666 0.666 weight 1.000 ! spec=HCH, no=4455, id=7307, vol=8.490000e+07
assign (resid 118 and name HA) (resid 118 and name HB2) 2.330 0.679 0.679 weight 1.000 ! spec=HCH, no=4463, id=7314, vol=8.000000e+07
assign (resid 118 and name HA) (resid 118 and name HB1) 2.232 0.623 0.623 weight 1.000 ! spec=HCH, no=4464, id=7315, vol=1.040000e+08
assign (resid 118 and name HB1) (resid 118 and name HG2) 1.915 0.458 0.458 weight 1.000 ! spec=HCH, no=4470, id=7321, vol=2.600000e+08
    or (resid 118 and name HB1) (resid 118 and name HG1)
assign (resid 118 and name HN) (resid 118 and name HB1) 3.047 1.161 1.161 weight 1.000 ! spec=HCH, no=4473, id=7324, vol=1.600000e+07
assign (resid 118 and name HB1) (resid 118 and name HB2) 1.770 0.392 0.392 weight 1.000 ! spec=HCH, no=4476, id=7327, vol=4.170000e+08
assign (resid 118 and name HA) (resid 118 and name HG2) 2.681 0.899 0.899 weight 1.000 ! spec=HCH, no=4485, id=7335, vol=3.450000e+07
assign (resid 118 and name HG2) (resid 118 and name HB2) 2.297 0.659 0.659 weight 1.000 ! spec=HCH, no=4486, id=7336, vol=8.740000e+07
assign (resid 118 and name HB1) (resid 118 and name HG2) 1.916 0.459 0.459 weight 1.000 ! spec=HCH, no=4487, id=7337, vol=2.590000e+08
assign (resid 119 and name HN) (resid 118 and name HG2) 3.224 1.299 1.299 weight 1.000 ! spec=HCH, no=4490, id=7340, vol=1.140000e+07
assign (resid 118 and name HG2) (resid 119 and name HA) 3.119 1.216 1.216 weight 1.000 ! spec=HCH, no=4491, id=7341, vol=1.390000e+07
assign (resid 119 and name HN) (resid 119 and name HA) 2.245 0.630 0.630 weight 1.000 ! spec=HCH, no=4493, id=7343, vol=1.000000e+08
assign (resid 119 and name HB1) (resid 118 and name HB1) 3.259 1.327 1.327 weight 1.000 ! spec=HCH, no=4498, id=7348, vol=1.070000e+07
assign (resid 119 and name HN) (resid 119 and name HB1) 2.463 0.758 0.758 weight 1.000 ! spec=HCH, no=4499, id=7349, vol=5.750000e+07
assign (resid 119 and name HB2) (resid 120 and name HN) 2.428 0.737 0.737 weight 1.000 ! spec=HCH, no=4500, id=7350, vol=6.250000e+07
assign (resid 118 and name HE21) (resid 120 and name HB2) 2.920 1.066 1.066 weight 1.000 ! spec=HCH, no=4509, id=7359, vol=2.070000e+07
assign (resid 121 and name HA) (resid 121 and name HB2) 2.216 0.614 0.614 weight 1.000 ! spec=HCH, no=4510, id=7360, vol=1.080000e+08
    or (resid 121 and name HA) (resid 121 and name HB1)
assign (resid 121 and name HA) (resid 121 and name HB2) 2.315 0.670 0.670 weight 1.000 ! spec=HCH, no=4514, id=7364, vol=8.320000e+07
assign (resid 122 and name HA) (resid 122 and name HB2) 2.433 0.740 0.740 weight 1.000 ! spec=HCH, no=4519, id=7368, vol=6.180000e+07
assign (resid 122 and name HA) (resid 122 and name HB1) 2.403 0.722 0.722 weight 1.000 ! spec=HCH, no=4520, id=7369, vol=6.670000e+07
assign (resid 122 and name HA) (resid 122 and name HG2) 2.586 0.836 0.836 weight 1.000 ! spec=HCH, no=4521, id=7370, vol=4.290000e+07
assign (resid 122 and name HA) (resid 123 and name HA) 3.296 1.358 1.358 weight 1.000 ! spec=HCH, no=4523, id=7372, vol=1.000000e+07
assign (resid 122 and name HN) (resid 122 and name HB1) 2.611 0.852 0.852 weight 1.000 ! spec=HCH, no=4529, id=7378, vol=4.040000e+07
assign (resid 122 and name HB2) (resid 123 and name HA) 3.344 1.398 1.398 weight 1.000 ! spec=HCH, no=4532, id=7381, vol=9.160000e+06
assign (resid 122 and name HG1) (resid 122 and name HN) 3.138 1.231 1.231 weight 1.000 ! spec=HCH, no=4537, id=7386, vol=1.340000e+07
assign (resid 122 and name HG1) (resid 122 and name HA) 2.902 1.053 1.053 weight 1.000 ! spec=HCH, no=4539, id=7388, vol=2.150000e+07
assign (resid 123 and name HA) (resid 123 and name HB2) 2.320 0.673 0.673 weight 1.000 ! spec=HCH, no=4541, id=7390, vol=8.220000e+07
assign (resid 123 and name HN) (resid 123 and name HB2) 2.731 0.933 0.933 weight 1.000 ! spec=HCH, no=4545, id=7394, vol=3.090000e+07
assign (resid 123 and name HB2) (resid 124 and name HA) 3.131 1.226 1.226 weight 1.000 ! spec=HCH, no=4548, id=7396, vol=1.360000e+07
assign (resid 124 and name HA) (resid 123 and name HA) 3.622 1.640 1.640 weight 1.000 ! spec=HCH, no=4553, id=7400, vol=5.680000e+06
assign (resid 124 and name HA) (resid 124 and name HB2) 2.479 0.768 0.768 weight 1.000 ! spec=HCH, no=4556, id=7402, vol=5.530000e+07
assign (resid 124 and name HA) (resid 124 and name HB1) 2.511 0.788 0.788 weight 1.000 ! spec=HCH, no=4557, id=7403, vol=5.120000e+07
assign (resid 124 and name HA) (resid 125 and name HA) 3.375 1.424 1.424 weight 1.000 ! spec=HCH, no=4562, id=7408, vol=8.670000e+06
assign (resid 124 and name HB2) (resid 126 and name HN) 3.676 1.689 1.689 weight 1.000 ! spec=HCH, no=4565, id=7411, vol=5.200000e+06
assign (resid 124 and name HB2) (resid 124 and name HG) 2.525 0.797 0.797 weight 1.000 ! spec=HCH, no=4566, id=7412, vol=4.950000e+07
assign (resid 124 and name HB1) (resid 124 and name HG) 2.444 0.746 0.746 weight 1.000 ! spec=HCH, no=4567, id=7413, vol=6.020000e+07
assign (resid 124 and name HB1) (resid 126 and name HN) 3.646 1.662 1.662 weight 1.000 ! spec=HCH, no=4568, id=7414, vol=5.460000e+06
assign (resid 124 and name HB2) (resid 123 and name HA) 3.719 1.729 1.729 weight 1.000 ! spec=HCH, no=4569, id=7415, vol=4.840000e+06
assign (resid 123 and name HA) (resid 124 and name HB1) 3.594 1.615 1.615 weight 1.000 ! spec=HCH, no=4570, id=7416, vol=5.950000e+06
assign (resid 124 and name HN) (resid 124 and name HB2) 2.854 1.018 1.018 weight 1.000 ! spec=HCH, no=4571, id=7417, vol=2.370000e+07
assign (resid 124 and name HN) (resid 124 and name HB1) 2.809 0.986 0.986 weight 1.000 ! spec=HCH, no=4572, id=7418, vol=2.610000e+07
assign (resid 124 and name HB1) (resid 124 and name HD22) 2.428 0.737 0.737 weight 1.000 ! spec=HCH, no=4576, id=7422, vol=6.260000e+07
    or (resid 124 and name HB1) (resid 124 and name HD21)
    or (resid 124 and name HB1) (resid 124 and name HD23)
assign (resid 124 and name HD12) (resid 120 and name HB2) 2.966 1.100 1.100 weight 1.000 ! spec=HCH, no=4586, id=7432, vol=1.880000e+07
    or (resid 124 and name HD12) (resid 120 and name HB1)
    or (resid 124 and name HD11) (resid 120 and name HB2)
    or (resid 124 and name HD11) (resid 120 and name HB1)
    or (resid 124 and name HD13) (resid 120 and name HB2)
    or (resid 124 and name HD13) (resid 120 and name HB1)
assign (resid 124 and name HD12) (resid 95 and name HD1) 3.667 1.681 1.681 weight 1.000 ! spec=HCH, no=4601, id=7447, vol=5.270000e+06
    or (resid 124 and name HD11) (resid 95 and name HD1)
    or (resid 124 and name HD13) (resid 95 and name HD1)
assign (resid 124 and name HD12) (resid 95 and name HE1) 3.525 1.553 1.553 weight 1.000 ! spec=HCH, no=4602, id=7448, vol=6.680000e+06
    or (resid 124 and name HD11) (resid 95 and name HE1)
    or (resid 124 and name HD13) (resid 95 and name HE1)
assign (resid 124 and name HD12) (resid 102 and name HZ) 2.926 1.070 1.070 weight 1.000 ! spec=HCH, no=4604, id=7450, vol=2.050000e+07
    or (resid 124 and name HD11) (resid 102 and name HZ)
    or (resid 124 and name HD13) (resid 102 and name HZ)
assign (resid 124 and name HD12) (resid 123 and name HA) 2.899 1.050 1.050 weight 1.000 ! spec=HCH, no=4608, id=7454, vol=2.160000e+07
    or (resid 124 and name HD11) (resid 123 and name HA)
    or (resid 124 and name HD13) (resid 123 and name HA)
assign (resid 124 and name HD12) (resid 124 and name HN) 2.825 0.998 0.998 weight 1.000 ! spec=HCH, no=4609, id=7455, vol=2.520000e+07
    or (resid 124 and name HD11) (resid 124 and name HN)
    or (resid 124 and name HD13) (resid 124 and name HN)
assign (resid 124 and name HD12) (resid 124 and name HB1) 2.246 0.630 0.630 weight 1.000 ! spec=HCH, no=4612, id=7458, vol=1.000000e+08
    or (resid 124 and name HD11) (resid 124 and name HB1)
    or (resid 124 and name HD13) (resid 124 and name HB1)
assign (resid 124 and name HD12) (resid 124 and name HG) 2.066 0.533 0.533 weight 1.000 ! spec=HCH, no=4613, id=7459, vol=1.650000e+08
    or (resid 124 and name HD11) (resid 124 and name HG)
    or (resid 124 and name HD13) (resid 124 and name HG)
assign (resid 124 and name HD12) (resid 124 and name HD11) 1.113 0.155 0.155 weight 1.000 ! spec=HCH, no=4614, id=7460, vol=6.730000e+09
    or (resid 124 and name HD12) (resid 124 and name HD13)
    or (resid 124 and name HD12) (resid 124 and name HD11)
    or (resid 124 and name HD11) (resid 124 and name HD13)
    or (resid 124 and name HD12) (resid 124 and name HD13)
    or (resid 124 and name HD11) (resid 124 and name HD13)
assign (resid 124 and name HD22) (resid 141 and name HA1) 3.367 1.417 1.417 weight 1.000 ! spec=HCH, no=4630, id=7475, vol=8.800000e+06
    or (resid 124 and name HD21) (resid 141 and name HA1)
    or (resid 124 and name HD23) (resid 141 and name HA1)
assign (resid 124 and name HD22) (resid 123 and name HA) 2.928 1.071 1.071 weight 1.000 ! spec=HCH, no=4640, id=7484, vol=2.040000e+07
    or (resid 124 and name HD21) (resid 123 and name HA)
    or (resid 124 and name HD23) (resid 123 and name HA)
assign (resid 124 and name HA) (resid 124 and name HD22) 2.849 1.014 1.014 weight 1.000 ! spec=HCH, no=4642, id=7486, vol=2.400000e+07
    or (resid 124 and name HA) (resid 124 and name HD21)
    or (resid 124 and name HA) (resid 124 and name HD23)
assign (resid 124 and name HB2) (resid 124 and name HD22) 2.184 0.596 0.596 weight 1.000 ! spec=HCH, no=4643, id=7487, vol=1.180000e+08
    or (resid 124 and name HB2) (resid 124 and name HD21)
    or (resid 124 and name HB2) (resid 124 and name HD23)
assign (resid 124 and name HD22) (resid 124 and name HG) 2.168 0.587 0.587 weight 1.000 ! spec=HCH, no=4645, id=7489, vol=1.240000e+08
    or (resid 124 and name HD21) (resid 124 and name HG)
    or (resid 124 and name HD23) (resid 124 and name HG)
assign (resid 124 and name HD22) (resid 124 and name HD21) 1.179 0.174 0.174 weight 1.000 ! spec=HCH, no=4646, id=7490, vol=4.780000e+09
    or (resid 124 and name HD22) (resid 124 and name HD23)
    or (resid 124 and name HD22) (resid 124 and name HD21)
    or (resid 124 and name HD21) (resid 124 and name HD23)
    or (resid 124 and name HD22) (resid 124 and name HD23)
    or (resid 124 and name HD21) (resid 124 and name HD23)
assign (resid 124 and name HG) (resid 120 and name HB2) 3.505 1.536 1.536 weight 1.000 ! spec=HCH, no=4651, id=7495, vol=6.920000e+06
    or (resid 124 and name HG) (resid 120 and name HB1)
assign (resid 124 and name HN) (resid 124 and name HG) 2.794 0.976 0.976 weight 1.000 ! spec=HCH, no=4653, id=7497, vol=2.690000e+07
assign (resid 124 and name HA) (resid 124 and name HG) 3.055 1.167 1.167 weight 1.000 ! spec=HCH, no=4654, id=7498, vol=1.580000e+07
assign (resid 125 and name HA) (resid 95 and name HD1) 2.856 1.019 1.019 weight 1.000 ! spec=HCH, no=4658, id=7502, vol=2.360000e+07
    or (resid 125 and name HA) (resid 95 and name HD2)
assign (resid 125 and name HA) (resid 97 and name HG21) 3.191 1.273 1.273 weight 1.000 ! spec=HCH, no=4659, id=7503, vol=1.210000e+07
    or (resid 125 and name HA) (resid 97 and name HG22)
    or (resid 125 and name HA) (resid 97 and name HG23)
assign (resid 125 and name HA) (resid 95 and name HE1) 3.565 1.589 1.589 weight 1.000 ! spec=HCH, no=4661, id=7505, vol=6.240000e+06
    or (resid 125 and name HA) (resid 95 and name HE2)
assign (resid 125 and name HA) (resid 123 and name HB2) 3.763 1.770 1.770 weight 1.000 ! spec=HCH, no=4662, id=7506, vol=4.510000e+06
    or (resid 125 and name HA) (resid 123 and name HB1)
assign (resid 125 and name HN) (resid 125 and name HA) 2.496 0.779 0.779 weight 1.000 ! spec=HCH, no=4665, id=7509, vol=5.300000e+07
assign (resid 125 and name HA) (resid 95 and name HB1) 3.308 1.368 1.368 weight 1.000 ! spec=HCH, no=4672, id=7516, vol=9.790000e+06
assign (resid 125 and name HA) (resid 102 and name HE1) 4.165 2.169 2.169 weight 1.000 ! spec=HCH, no=4673, id=7517, vol=2.460000e+06
assign (resid 125 and name HA) (resid 125 and name HB) 2.398 0.719 0.719 weight 1.000 ! spec=HCH, no=4675, id=7519, vol=6.740000e+07
assign (resid 125 and name HA) (resid 125 and name HG12) 2.264 0.641 0.641 weight 1.000 ! spec=HCH, no=4676, id=7520, vol=9.530000e+07
    or (resid 125 and name HA) (resid 125 and name HG11)
    or (resid 125 and name HA) (resid 125 and name HG13)
assign (resid 125 and name HB) (resid 95 and name HE1) 3.896 1.897 1.897 weight 1.000 ! spec=HCH, no=4687, id=7531, vol=3.670000e+06
    or (resid 125 and name HB) (resid 95 and name HE2)
assign (resid 97 and name HG21) (resid 125 and name HB) 3.356 1.408 1.408 weight 1.000 ! spec=HCH, no=4688, id=7532, vol=8.970000e+06
    or (resid 97 and name HG22) (resid 125 and name HB)
    or (resid 97 and name HG23) (resid 125 and name HB)
assign (resid 125 and name HB) (resid 126 and name HB1) 3.714 1.724 1.724 weight 1.000 ! spec=HCH, no=4696, id=7539, vol=4.890000e+06
assign (resid 125 and name HG12) (resid 97 and name HG21) 2.683 0.900 0.900 weight 1.000 ! spec=HCH, no=4711, id=7553, vol=3.430000e+07
    or (resid 125 and name HG12) (resid 97 and name HG22)
    or (resid 125 and name HG12) (resid 97 and name HG23)
    or (resid 125 and name HG11) (resid 97 and name HG21)
    or (resid 125 and name HG11) (resid 97 and name HG22)
    or (resid 125 and name HG11) (resid 97 and name HG23)
    or (resid 125 and name HG13) (resid 97 and name HG21)
    or (resid 125 and name HG13) (resid 97 and name HG22)
    or (resid 125 and name HG13) (resid 97 and name HG23)
assign (resid 125 and name HB) (resid 125 and name HG12) 2.019 0.509 0.509 weight 1.000 ! spec=HCH, no=4723, id=7565, vol=1.890000e+08
    or (resid 125 and name HB) (resid 125 and name HG11)
    or (resid 125 and name HB) (resid 125 and name HG13)
assign (resid 125 and name HG12) (resid 126 and name HA) 3.154 1.244 1.244 weight 1.000 ! spec=HCH, no=4726, id=7568, vol=1.300000e+07
    or (resid 125 and name HG11) (resid 126 and name HA)
    or (resid 125 and name HG13) (resid 126 and name HA)
assign (resid 127 and name HN) (resid 125 and name HG12) 3.303 1.363 1.363 weight 1.000 ! spec=HCH, no=4729, id=7571, vol=9.880000e+06
    or (resid 127 and name HN) (resid 125 and name HG11)
    or (resid 127 and name HN) (resid 125 and name HG13)
assign (resid 142 and name HD22) (resid 125 and name HG22) 3.180 1.264 1.264 weight 1.000 ! spec=HCH, no=4757, id=7594, vol=1.240000e+07
    or (resid 142 and name HD22) (resid 125 and name HG21)
    or (resid 142 and name HD22) (resid 125 and name HG23)
assign (resid 142 and name HD21) (resid 125 and name HG22) 3.292 1.355 1.355 weight 1.000 ! spec=HCH, no=4765, id=7601, vol=1.010000e+07
    or (resid 142 and name HD21) (resid 125 and name HG21)
    or (resid 142 and name HD21) (resid 125 and name HG23)
assign (resid 125 and name HG22) (resid 123 and name HB2) 2.887 1.042 1.042 weight 1.000 ! spec=HCH, no=4772, id=7607, vol=2.220000e+07
    or (resid 125 and name HG21) (resid 123 and name HB2)
    or (resid 125 and name HG23) (resid 123 and name HB2)
assign (resid 125 and name HN) (resid 125 and name HG22) 2.216 0.614 0.614 weight 1.000 ! spec=HCH, no=4776, id=7611, vol=1.080000e+08
    or (resid 125 and name HN) (resid 125 and name HG21)
    or (resid 125 and name HN) (resid 125 and name HG23)
assign (resid 125 and name HA) (resid 125 and name HG22) 2.193 0.601 0.601 weight 1.000 ! spec=HCH, no=4777, id=7612, vol=1.150000e+08
    or (resid 125 and name HA) (resid 125 and name HG21)
    or (resid 125 and name HA) (resid 125 and name HG23)
assign (resid 125 and name HB) (resid 125 and name HG22) 2.011 0.506 0.506 weight 1.000 ! spec=HCH, no=4778, id=7613, vol=1.940000e+08
    or (resid 125 and name HB) (resid 125 and name HG21)
    or (resid 125 and name HB) (resid 125 and name HG23)
assign (resid 126 and name HN) (resid 126 and name HA) 2.371 0.703 0.703 weight 1.000 ! spec=HCH, no=4784, id=7619, vol=7.220000e+07
assign (resid 126 and name HA) (resid 126 and name HB2) 2.444 0.747 0.747 weight 1.000 ! spec=HCH, no=4786, id=7620, vol=6.020000e+07
assign (resid 126 and name HA) (resid 126 and name HB1) 2.417 0.730 0.730 weight 1.000 ! spec=HCH, no=4787, id=7621, vol=6.430000e+07
assign (resid 127 and name HN) (resid 126 and name HA) 2.468 0.761 0.761 weight 1.000 ! spec=HCH, no=4788, id=7622, vol=5.680000e+07
assign (resid 127 and name HA) (resid 127 and name HG21) 2.431 0.739 0.739 weight 1.000 ! spec=HCH, no=4811, id=7643, vol=6.220000e+07
    or (resid 127 and name HA) (resid 127 and name HG22)
    or (resid 127 and name HA) (resid 127 and name HG23)
assign (resid 128 and name HN) (resid 127 and name HA) 2.217 0.615 0.615 weight 1.000 ! spec=HCH, no=4812, id=7644, vol=1.080000e+08
assign (resid 127 and name HB) (resid 126 and name HN) 3.978 1.978 1.978 weight 1.000 ! spec=HCH, no=4824, id=7656, vol=3.240000e+06
assign (resid 127 and name HA) (resid 127 and name HB) 2.683 0.899 0.899 weight 1.000 ! spec=HCH, no=4826, id=7658, vol=3.440000e+07
assign (resid 128 and name HN) (resid 127 and name HB) 2.925 1.070 1.070 weight 1.000 ! spec=HCH, no=4829, id=7660, vol=2.050000e+07
assign (resid 127 and name HB) (resid 128 and name HA) 3.824 1.828 1.828 weight 1.000 ! spec=HCH, no=4830, id=7661, vol=4.100000e+06
assign (resid 127 and name HG21) (resid 139 and name HA) 3.670 1.684 1.684 weight 1.000 ! spec=HCH, no=4841, id=7671, vol=5.250000e+06
    or (resid 127 and name HG22) (resid 139 and name HA)
    or (resid 127 and name HG23) (resid 139 and name HA)
assign (resid 125 and name HN) (resid 127 and name HG21) 3.464 1.500 1.500 weight 1.000 ! spec=HCH, no=4845, id=7675, vol=7.420000e+06
    or (resid 125 and name HN) (resid 127 and name HG22)
    or (resid 125 and name HN) (resid 127 and name HG23)
assign (resid 127 and name HG21) (resid 125 and name HA) 3.033 1.150 1.150 weight 1.000 ! spec=HCH, no=4850, id=7680, vol=1.650000e+07
    or (resid 127 and name HG22) (resid 125 and name HA)
    or (resid 127 and name HG23) (resid 125 and name HA)
assign (resid 127 and name HB) (resid 127 and name HG21) 2.108 0.555 0.555 weight 1.000 ! spec=HCH, no=4854, id=7684, vol=1.460000e+08
    or (resid 127 and name HB) (resid 127 and name HG22)
    or (resid 127 and name HB) (resid 127 and name HG23)
assign (resid 127 and name HG21) (resid 127 and name HG22) 1.230 0.189 0.189 weight 1.000 ! spec=HCH, no=4855, id=7685, vol=3.700000e+09
    or (resid 127 and name HG21) (resid 127 and name HG23)
    or (resid 127 and name HG21) (resid 127 and name HG22)
    or (resid 127 and name HG22) (resid 127 and name HG23)
    or (resid 127 and name HG21) (resid 127 and name HG23)
    or (resid 127 and name HG22) (resid 127 and name HG23)
assign (resid 128 and name HN) (resid 127 and name HG21) 2.498 0.780 0.780 weight 1.000 ! spec=HCH, no=4856, id=7686, vol=5.270000e+07
    or (resid 128 and name HN) (resid 127 and name HG22)
    or (resid 128 and name HN) (resid 127 and name HG23)
assign (resid 127 and name HG21) (resid 128 and name HA) 3.003 1.127 1.127 weight 1.000 ! spec=HCH, no=4857, id=7687, vol=1.750000e+07
    or (resid 127 and name HG22) (resid 128 and name HA)
    or (resid 127 and name HG23) (resid 128 and name HA)
assign (resid 128 and name HA) (resid 128 and name HB2) 2.453 0.752 0.752 weight 1.000 ! spec=HCH, no=4866, id=7695, vol=5.890000e+07
assign (resid 128 and name HA) (resid 129 and name HA) 3.373 1.422 1.422 weight 1.000 ! spec=HCH, no=4868, id=7697, vol=8.710000e+06
assign (resid 90 and name HD12) (resid 128 and name HB2) 2.890 1.044 1.044 weight 1.000 ! spec=HCH, no=4871, id=7700, vol=2.200000e+07
    or (resid 90 and name HD11) (resid 128 and name HB2)
    or (resid 90 and name HD13) (resid 128 and name HB2)
assign (resid 128 and name HN) (resid 128 and name HB2) 2.746 0.943 0.943 weight 1.000 ! spec=HCH, no=4873, id=7702, vol=2.990000e+07
assign (resid 128 and name HB2) (resid 129 and name HA) 3.690 1.702 1.702 weight 1.000 ! spec=HCH, no=4877, id=7705, vol=5.080000e+06
assign (resid 128 and name HB2) (resid 130 and name HZ) 3.413 1.456 1.456 weight 1.000 ! spec=HCH, no=4879, id=7707, vol=8.110000e+06
assign (resid 128 and name HB2) (resid 130 and name HE1) 3.085 1.189 1.189 weight 1.000 ! spec=HCH, no=4880, id=7708, vol=1.490000e+07
assign (resid 128 and name HB2) (resid 143 and name HA) 2.818 0.993 0.993 weight 1.000 ! spec=HCH, no=4881, id=7709, vol=2.560000e+07
assign (resid 128 and name HB2) (resid 144 and name HN) 3.874 1.876 1.876 weight 1.000 ! spec=HCH, no=4882, id=7710, vol=3.790000e+06
assign (resid 129 and name HA) (resid 130 and name HE1) 3.945 1.945 1.945 weight 1.000 ! spec=HCH, no=4883, id=7711, vol=3.400000e+06
    or (resid 129 and name HA) (resid 130 and name HE2)
assign (resid 129 and name HA) (resid 130 and name HD1) 3.155 1.244 1.244 weight 1.000 ! spec=HCH, no=4884, id=7712, vol=1.300000e+07
    or (resid 129 and name HA) (resid 130 and name HD2)
assign (resid 129 and name HA) (resid 91 and name HD22) 4.041 2.041 2.041 weight 1.000 ! spec=HCH, no=4885, id=7713, vol=2.950000e+06
    or (resid 129 and name HA) (resid 91 and name HD21)
    or (resid 129 and name HA) (resid 91 and name HD23)
assign (resid 129 and name HA) (resid 115 and name HH2) 3.578 1.600 1.600 weight 1.000 ! spec=HCH, no=4886, id=7714, vol=6.120000e+06
assign (resid 129 and name HA) (resid 115 and name HZ3) 3.504 1.535 1.535 weight 1.000 ! spec=HCH, no=4888, id=7716, vol=6.920000e+06
assign (resid 129 and name HA) (resid 139 and name HN) 3.857 1.859 1.859 weight 1.000 ! spec=HCH, no=4892, id=7719, vol=3.900000e+06
assign (resid 129 and name HA) (resid 139 and name HE1) 3.276 1.342 1.342 weight 1.000 ! spec=HCH, no=4893, id=7720, vol=1.040000e+07
assign (resid 129 and name HA) (resid 141 and name HN) 3.191 1.273 1.273 weight 1.000 ! spec=HCH, no=4898, id=7725, vol=1.210000e+07
assign (resid 129 and name HB2) (resid 102 and name HB1) 3.859 1.861 1.861 weight 1.000 ! spec=HCH, no=4905, id=7730, vol=3.880000e+06
    or (resid 129 and name HB1) (resid 102 and name HB1)
    or (resid 129 and name HB3) (resid 102 and name HB1)
assign (resid 129 and name HB2) (resid 102 and name HD1) 3.077 1.183 1.183 weight 1.000 ! spec=HCH, no=4908, id=7733, vol=1.510000e+07
    or (resid 129 and name HB2) (resid 102 and name HD2)
    or (resid 129 and name HB1) (resid 102 and name HD1)
    or (resid 129 and name HB1) (resid 102 and name HD2)
    or (resid 129 and name HB3) (resid 102 and name HD1)
    or (resid 129 and name HB3) (resid 102 and name HD2)
assign (resid 129 and name HB2) (resid 90 and name HA) 3.593 1.613 1.613 weight 1.000 ! spec=HCH, no=4910, id=7735, vol=5.960000e+06
    or (resid 129 and name HB1) (resid 90 and name HA)
    or (resid 129 and name HB3) (resid 90 and name HA)
assign (resid 129 and name HB2) (resid 91 and name HN) 3.156 1.245 1.245 weight 1.000 ! spec=HCH, no=4911, id=7736, vol=1.300000e+07
    or (resid 129 and name HB1) (resid 91 and name HN)
    or (resid 129 and name HB3) (resid 91 and name HN)
assign (resid 129 and name HB2) (resid 91 and name HA) 3.523 1.551 1.551 weight 1.000 ! spec=HCH, no=4912, id=7737, vol=6.710000e+06
    or (resid 129 and name HB1) (resid 91 and name HA)
    or (resid 129 and name HB3) (resid 91 and name HA)
assign (resid 129 and name HB2) (resid 91 and name HB1) 2.415 0.729 0.729 weight 1.000 ! spec=HCH, no=4913, id=7738, vol=6.470000e+07
    or (resid 129 and name HB1) (resid 91 and name HB1)
    or (resid 129 and name HB3) (resid 91 and name HB1)
assign (resid 129 and name HB2) (resid 91 and name HD12) 3.168 1.254 1.254 weight 1.000 ! spec=HCH, no=4914, id=7739, vol=1.270000e+07
    or (resid 129 and name HB2) (resid 91 and name HD11)
    or (resid 129 and name HB2) (resid 91 and name HD13)
    or (resid 129 and name HB1) (resid 91 and name HD12)
    or (resid 129 and name HB1) (resid 91 and name HD11)
    or (resid 129 and name HB1) (resid 91 and name HD13)
    or (resid 129 and name HB3) (resid 91 and name HD12)
    or (resid 129 and name HB3) (resid 91 and name HD11)
    or (resid 129 and name HB3) (resid 91 and name HD13)
assign (resid 129 and name HB2) (resid 91 and name HD22) 2.340 0.685 0.685 weight 1.000 ! spec=HCH, no=4915, id=7740, vol=7.810000e+07
    or (resid 129 and name HB2) (resid 91 and name HD21)
    or (resid 129 and name HB2) (resid 91 and name HD23)
    or (resid 129 and name HB1) (resid 91 and name HD22)
    or (resid 129 and name HB1) (resid 91 and name HD21)
    or (resid 129 and name HB1) (resid 91 and name HD23)
    or (resid 129 and name HB3) (resid 91 and name HD22)
    or (resid 129 and name HB3) (resid 91 and name HD21)
    or (resid 129 and name HB3) (resid 91 and name HD23)
assign (resid 129 and name HB2) (resid 93 and name HN) 3.409 1.453 1.453 weight 1.000 ! spec=HCH, no=4916, id=7741, vol=8.170000e+06
    or (resid 129 and name HB1) (resid 93 and name HN)
    or (resid 129 and name HB3) (resid 93 and name HN)
assign (resid 129 and name HB2) (resid 93 and name HG2) 2.533 0.802 0.802 weight 1.000 ! spec=HCH, no=4917, id=7742, vol=4.860000e+07
    or (resid 129 and name HB1) (resid 93 and name HG2)
    or (resid 129 and name HB3) (resid 93 and name HG2)
assign (resid 129 and name HB2) (resid 104 and name HH2) 3.784 1.790 1.790 weight 1.000 ! spec=HCH, no=4918, id=7743, vol=4.370000e+06
    or (resid 129 and name HB1) (resid 104 and name HH2)
    or (resid 129 and name HB3) (resid 104 and name HH2)
assign (resid 128 and name HA) (resid 129 and name HB2) 3.040 1.155 1.155 weight 1.000 ! spec=HCH, no=4923, id=7748, vol=1.620000e+07
    or (resid 128 and name HA) (resid 129 and name HB1)
    or (resid 128 and name HA) (resid 129 and name HB3)
assign (resid 128 and name HB2) (resid 129 and name HB2) 3.054 1.166 1.166 weight 1.000 ! spec=HCH, no=4924, id=7749, vol=1.580000e+07
    or (resid 128 and name HB2) (resid 129 and name HB1)
    or (resid 128 and name HB2) (resid 129 and name HB3)
assign (resid 129 and name HN) (resid 129 and name HB2) 2.505 0.784 0.784 weight 1.000 ! spec=HCH, no=4925, id=7750, vol=5.190000e+07
    or (resid 129 and name HN) (resid 129 and name HB1)
    or (resid 129 and name HN) (resid 129 and name HB3)
assign (resid 129 and name HA) (resid 129 and name HB2) 2.205 0.608 0.608 weight 1.000 ! spec=HCH, no=4926, id=7751, vol=1.120000e+08
    or (resid 129 and name HA) (resid 129 and name HB1)
    or (resid 129 and name HA) (resid 129 and name HB3)
assign (resid 129 and name HB2) (resid 129 and name HB1) 1.382 0.239 0.239 weight 1.000 ! spec=HCH, no=4927, id=7752, vol=1.840000e+09
    or (resid 129 and name HB2) (resid 129 and name HB3)
    or (resid 129 and name HB2) (resid 129 and name HB1)
    or (resid 129 and name HB1) (resid 129 and name HB3)
    or (resid 129 and name HB2) (resid 129 and name HB3)
    or (resid 129 and name HB1) (resid 129 and name HB3)
assign (resid 130 and name HN) (resid 129 and name HB2) 2.504 0.784 0.784 weight 1.000 ! spec=HCH, no=4928, id=7753, vol=5.210000e+07
    or (resid 130 and name HN) (resid 129 and name HB1)
    or (resid 130 and name HN) (resid 129 and name HB3)
assign (resid 129 and name HB2) (resid 130 and name HA) 2.962 1.096 1.096 weight 1.000 ! spec=HCH, no=4929, id=7754, vol=1.900000e+07
    or (resid 129 and name HB1) (resid 130 and name HA)
    or (resid 129 and name HB3) (resid 130 and name HA)
assign (resid 129 and name HB2) (resid 130 and name HD1) 3.250 1.321 1.321 weight 1.000 ! spec=HCH, no=4931, id=7756, vol=1.090000e+07
    or (resid 129 and name HB1) (resid 130 and name HD1)
    or (resid 129 and name HB3) (resid 130 and name HD1)
assign (resid 129 and name HB2) (resid 138 and name HA) 3.693 1.705 1.705 weight 1.000 ! spec=HCH, no=4932, id=7757, vol=5.050000e+06
    or (resid 129 and name HB1) (resid 138 and name HA)
    or (resid 129 and name HB3) (resid 138 and name HA)
assign (resid 129 and name HB2) (resid 138 and name HB1) 3.171 1.257 1.257 weight 1.000 ! spec=HCH, no=4934, id=7759, vol=1.260000e+07
    or (resid 129 and name HB1) (resid 138 and name HB1)
    or (resid 129 and name HB3) (resid 138 and name HB1)
assign (resid 129 and name HB2) (resid 139 and name HN) 3.571 1.594 1.594 weight 1.000 ! spec=HCH, no=4935, id=7760, vol=6.180000e+06
    or (resid 129 and name HB1) (resid 139 and name HN)
    or (resid 129 and name HB3) (resid 139 and name HN)
assign (resid 90 and name HD12) (resid 130 and name HA) 3.666 1.680 1.680 weight 1.000 ! spec=HCH, no=4938, id=7763, vol=5.280000e+06
    or (resid 90 and name HD11) (resid 130 and name HA)
    or (resid 90 and name HD13) (resid 130 and name HA)
assign (resid 130 and name HA) (resid 130 and name HD1) 3.370 1.419 1.419 weight 1.000 ! spec=HCH, no=4939, id=7764, vol=8.760000e+06
    or (resid 130 and name HA) (resid 130 and name HD2)
assign (resid 130 and name HA) (resid 131 and name HB1) 3.202 1.282 1.282 weight 1.000 ! spec=HCH, no=4940, id=7765, vol=1.190000e+07
assign (resid 130 and name HA) (resid 91 and name HB2) 3.162 1.250 1.250 weight 1.000 ! spec=HCH, no=4941, id=7766, vol=1.280000e+07
assign (resid 88 and name HB2) (resid 130 and name HA) 3.583 1.605 1.605 weight 1.000 ! spec=HCH, no=4942, id=7767, vol=6.060000e+06
assign (resid 130 and name HA) (resid 91 and name HD22) 3.340 1.394 1.394 weight 1.000 ! spec=HCH, no=4946, id=7771, vol=9.240000e+06
    or (resid 130 and name HA) (resid 91 and name HD21)
    or (resid 130 and name HA) (resid 91 and name HD23)
assign (resid 130 and name HA) (resid 130 and name HB2) 2.652 0.879 0.879 weight 1.000 ! spec=HCH, no=4947, id=7772, vol=3.680000e+07
assign (resid 130 and name HN) (resid 130 and name HB2) 2.683 0.900 0.900 weight 1.000 ! spec=HCH, no=4950, id=7775, vol=3.440000e+07
assign (resid 130 and name HB2) (resid 130 and name HD1) 2.709 0.918 0.918 weight 1.000 ! spec=HCH, no=4952, id=7777, vol=3.240000e+07
assign (resid 91 and name HD22) (resid 131 and name HB1) 3.514 1.543 1.543 weight 1.000 ! spec=HCH, no=4959, id=7784, vol=6.810000e+06
    or (resid 91 and name HD21) (resid 131 and name HB1)
    or (resid 91 and name HD23) (resid 131 and name HB1)
assign (resid 131 and name HB2) (resid 130 and name HA) 3.808 1.813 1.813 weight 1.000 ! spec=HCH, no=4960, id=7785, vol=4.200000e+06
assign (resid 131 and name HB2) (resid 131 and name HA) 3.076 1.182 1.182 weight 1.000 ! spec=HCH, no=4964, id=7789, vol=1.520000e+07
assign (resid 131 and name HB1) (resid 131 and name HA) 3.162 1.250 1.250 weight 1.000 ! spec=HCH, no=4965, id=7790, vol=1.280000e+07
assign (resid 131 and name HB1) (resid 131 and name HB2) 2.449 0.750 0.750 weight 1.000 ! spec=HCH, no=4966, id=7791, vol=5.940000e+07
assign (resid 131 and name HB1) (resid 138 and name HE1) 3.940 1.940 1.940 weight 1.000 ! spec=HCH, no=4972, id=7797, vol=3.430000e+06
assign (resid 72 and name HD22) (resid 131 and name HD12) 2.575 0.829 0.829 weight 1.000 ! spec=HCH, no=4986, id=7810, vol=4.400000e+07
    or (resid 72 and name HD22) (resid 131 and name HD11)
    or (resid 72 and name HD22) (resid 131 and name HD13)
assign (resid 76 and name HN) (resid 131 and name HD12) 3.353 1.405 1.405 weight 1.000 ! spec=HCH, no=4997, id=7819, vol=9.030000e+06
    or (resid 76 and name HN) (resid 131 and name HD11)
    or (resid 76 and name HN) (resid 131 and name HD13)
assign (resid 72 and name HB2) (resid 131 and name HD12) 3.567 1.591 1.591 weight 1.000 ! spec=HCH, no=4998, id=7820, vol=6.220000e+06
    or (resid 72 and name HB2) (resid 131 and name HD11)
    or (resid 72 and name HB2) (resid 131 and name HD13)
assign (resid 131 and name HD12) (resid 72 and name HB1) 3.784 1.790 1.790 weight 1.000 ! spec=HCH, no=4999, id=7821, vol=4.370000e+06
    or (resid 131 and name HD11) (resid 72 and name HB1)
    or (resid 131 and name HD13) (resid 72 and name HB1)
assign (resid 131 and name HD12) (resid 89 and name HN) 3.639 1.655 1.655 weight 1.000 ! spec=HCH, no=5001, id=7823, vol=5.530000e+06
    or (resid 131 and name HD11) (resid 89 and name HN)
    or (resid 131 and name HD13) (resid 89 and name HN)
assign (resid 131 and name HD12) (resid 91 and name HD12) 2.653 0.880 0.880 weight 1.000 ! spec=HCH, no=5002, id=7824, vol=3.680000e+07
    or (resid 131 and name HD12) (resid 91 and name HD11)
    or (resid 131 and name HD12) (resid 91 and name HD13)
    or (resid 131 and name HD11) (resid 91 and name HD12)
    or (resid 131 and name HD11) (resid 91 and name HD11)
    or (resid 131 and name HD11) (resid 91 and name HD13)
    or (resid 131 and name HD13) (resid 91 and name HD12)
    or (resid 131 and name HD13) (resid 91 and name HD11)
    or (resid 131 and name HD13) (resid 91 and name HD13)
assign (resid 131 and name HD12) (resid 91 and name HD22) 2.908 1.057 1.057 weight 1.000 ! spec=HCH, no=5003, id=7825, vol=2.120000e+07
    or (resid 131 and name HD12) (resid 91 and name HD21)
    or (resid 131 and name HD12) (resid 91 and name HD23)
    or (resid 131 and name HD11) (resid 91 and name HD22)
    or (resid 131 and name HD11) (resid 91 and name HD21)
    or (resid 131 and name HD11) (resid 91 and name HD23)
    or (resid 131 and name HD13) (resid 91 and name HD22)
    or (resid 131 and name HD13) (resid 91 and name HD21)
    or (resid 131 and name HD13) (resid 91 and name HD23)
assign (resid 131 and name HD12) (resid 114 and name HB2) 3.411 1.454 1.454 weight 1.000 ! spec=HCH, no=5004, id=7826, vol=8.140000e+06
    or (resid 131 and name HD11) (resid 114 and name HB2)
    or (resid 131 and name HD13) (resid 114 and name HB2)
assign (resid 131 and name HD12) (resid 131 and name HA) 2.331 0.679 0.679 weight 1.000 ! spec=HCH, no=5006, id=7828, vol=7.990000e+07
    or (resid 131 and name HD11) (resid 131 and name HA)
    or (resid 131 and name HD13) (resid 131 and name HA)
assign (resid 131 and name HB1) (resid 131 and name HD12) 2.555 0.816 0.816 weight 1.000 ! spec=HCH, no=5007, id=7829, vol=4.610000e+07
    or (resid 131 and name HB1) (resid 131 and name HD11)
    or (resid 131 and name HB1) (resid 131 and name HD13)
assign (resid 131 and name HD12) (resid 131 and name HG) 2.124 0.564 0.564 weight 1.000 ! spec=HCH, no=5008, id=7830, vol=1.400000e+08
    or (resid 131 and name HD11) (resid 131 and name HG)
    or (resid 131 and name HD13) (resid 131 and name HG)
assign (resid 131 and name HD12) (resid 131 and name HD11) 1.136 0.161 0.161 weight 1.000 ! spec=HCH, no=5009, id=7831, vol=5.980000e+09
    or (resid 131 and name HD12) (resid 131 and name HD13)
    or (resid 131 and name HD12) (resid 131 and name HD11)
    or (resid 131 and name HD11) (resid 131 and name HD13)
    or (resid 131 and name HD12) (resid 131 and name HD13)
    or (resid 131 and name HD11) (resid 131 and name HD13)
assign (resid 132 and name HN) (resid 131 and name HD12) 2.432 0.739 0.739 weight 1.000 ! spec=HCH, no=5011, id=7833, vol=6.190000e+07
    or (resid 132 and name HN) (resid 131 and name HD11)
    or (resid 132 and name HN) (resid 131 and name HD13)
assign (resid 131 and name HD12) (resid 132 and name HA) 3.610 1.629 1.629 weight 1.000 ! spec=HCH, no=5012, id=7834, vol=5.790000e+06
    or (resid 131 and name HD11) (resid 132 and name HA)
    or (resid 131 and name HD13) (resid 132 and name HA)
assign (resid 131 and name HD12) (resid 132 and name HB2) 3.174 1.259 1.259 weight 1.000 ! spec=HCH, no=5013, id=7835, vol=1.250000e+07
    or (resid 131 and name HD11) (resid 132 and name HB2)
    or (resid 131 and name HD13) (resid 132 and name HB2)
assign (resid 131 and name HD12) (resid 136 and name HA2) 2.443 0.746 0.746 weight 1.000 ! spec=HCH, no=5014, id=7836, vol=6.030000e+07
    or (resid 131 and name HD11) (resid 136 and name HA2)
    or (resid 131 and name HD13) (resid 136 and name HA2)
assign (resid 131 and name HD12) (resid 137 and name HA) 3.104 1.205 1.205 weight 1.000 ! spec=HCH, no=5016, id=7838, vol=1.430000e+07
    or (resid 131 and name HD11) (resid 137 and name HA)
    or (resid 131 and name HD13) (resid 137 and name HA)
assign (resid 131 and name HD12) (resid 138 and name HN) 3.285 1.349 1.349 weight 1.000 ! spec=HCH, no=5017, id=7839, vol=1.020000e+07
    or (resid 131 and name HD11) (resid 138 and name HN)
    or (resid 131 and name HD13) (resid 138 and name HN)
assign (resid 131 and name HD12) (resid 138 and name HA) 2.935 1.077 1.077 weight 1.000 ! spec=HCH, no=5018, id=7840, vol=2.010000e+07
    or (resid 131 and name HD11) (resid 138 and name HA)
    or (resid 131 and name HD13) (resid 138 and name HA)
assign (resid 131 and name HD12) (resid 138 and name HD1) 2.186 0.597 0.597 weight 1.000 ! spec=HCH, no=5019, id=7841, vol=1.180000e+08
    or (resid 131 and name HD11) (resid 138 and name HD1)
    or (resid 131 and name HD13) (resid 138 and name HD1)
assign (resid 131 and name HD12) (resid 138 and name HZ2) 3.463 1.499 1.499 weight 1.000 ! spec=HCH, no=5021, id=7843, vol=7.430000e+06
    or (resid 131 and name HD11) (resid 138 and name HZ2)
    or (resid 131 and name HD13) (resid 138 and name HZ2)
assign (resid 131 and name HD22) (resid 73 and name HA) 3.301 1.362 1.362 weight 1.000 ! spec=HCH, no=5024, id=7846, vol=9.900000e+06
    or (resid 131 and name HD21) (resid 73 and name HA)
    or (resid 131 and name HD23) (resid 73 and name HA)
assign (resid 131 and name HB2) (resid 131 and name HD22) 2.290 0.656 0.656 weight 1.000 ! spec=HCH, no=5025, id=7847, vol=8.890000e+07
    or (resid 131 and name HB2) (resid 131 and name HD21)
    or (resid 131 and name HB2) (resid 131 and name HD23)
assign (resid 76 and name HA) (resid 131 and name HD22) 2.995 1.122 1.122 weight 1.000 ! spec=HCH, no=5030, id=7852, vol=1.780000e+07
    or (resid 76 and name HA) (resid 131 and name HD21)
    or (resid 76 and name HA) (resid 131 and name HD23)
assign (resid 131 and name HD22) (resid 132 and name HA) 3.991 1.991 1.991 weight 1.000 ! spec=HCH, no=5035, id=7856, vol=3.170000e+06
    or (resid 131 and name HD21) (resid 132 and name HA)
    or (resid 131 and name HD23) (resid 132 and name HA)
assign (resid 131 and name HD22) (resid 130 and name HA) 3.884 1.886 1.886 weight 1.000 ! spec=HCH, no=5038, id=7859, vol=3.740000e+06
    or (resid 131 and name HD21) (resid 130 and name HA)
    or (resid 131 and name HD23) (resid 130 and name HA)
assign (resid 131 and name HD22) (resid 72 and name HA) 3.174 1.260 1.260 weight 1.000 ! spec=HCH, no=5040, id=7861, vol=1.250000e+07
    or (resid 131 and name HD21) (resid 72 and name HA)
    or (resid 131 and name HD23) (resid 72 and name HA)
assign (resid 131 and name HD22) (resid 72 and name HB2) 3.783 1.789 1.789 weight 1.000 ! spec=HCH, no=5041, id=7862, vol=4.380000e+06
    or (resid 131 and name HD21) (resid 72 and name HB2)
    or (resid 131 and name HD23) (resid 72 and name HB2)
assign (resid 131 and name HD22) (resid 72 and name HB1) 3.990 1.990 1.990 weight 1.000 ! spec=HCH, no=5042, id=7863, vol=3.180000e+06
    or (resid 131 and name HD21) (resid 72 and name HB1)
    or (resid 131 and name HD23) (resid 72 and name HB1)
assign (resid 131 and name HD22) (resid 72 and name HD21) 3.301 1.362 1.362 weight 1.000 ! spec=HCH, no=5043, id=7864, vol=9.920000e+06
    or (resid 131 and name HD21) (resid 72 and name HD21)
    or (resid 131 and name HD23) (resid 72 and name HD21)
assign (resid 131 and name HD22) (resid 72 and name HD22) 3.446 1.484 1.484 weight 1.000 ! spec=HCH, no=5044, id=7865, vol=7.660000e+06
    or (resid 131 and name HD21) (resid 72 and name HD22)
    or (resid 131 and name HD23) (resid 72 and name HD22)
assign (resid 131 and name HD22) (resid 88 and name HA) 3.897 1.899 1.899 weight 1.000 ! spec=HCH, no=5045, id=7866, vol=3.660000e+06
    or (resid 131 and name HD21) (resid 88 and name HA)
    or (resid 131 and name HD23) (resid 88 and name HA)
assign (resid 131 and name HD22) (resid 89 and name HN) 3.464 1.500 1.500 weight 1.000 ! spec=HCH, no=5046, id=7867, vol=7.420000e+06
    or (resid 131 and name HD21) (resid 89 and name HN)
    or (resid 131 and name HD23) (resid 89 and name HN)
assign (resid 131 and name HD22) (resid 91 and name HD12) 2.580 0.832 0.832 weight 1.000 ! spec=HCH, no=5048, id=7869, vol=4.350000e+07
    or (resid 131 and name HD22) (resid 91 and name HD11)
    or (resid 131 and name HD22) (resid 91 and name HD13)
    or (resid 131 and name HD21) (resid 91 and name HD12)
    or (resid 131 and name HD21) (resid 91 and name HD11)
    or (resid 131 and name HD21) (resid 91 and name HD13)
    or (resid 131 and name HD23) (resid 91 and name HD12)
    or (resid 131 and name HD23) (resid 91 and name HD11)
    or (resid 131 and name HD23) (resid 91 and name HD13)
assign (resid 131 and name HD22) (resid 91 and name HD22) 3.264 1.332 1.332 weight 1.000 ! spec=HCH, no=5049, id=7870, vol=1.060000e+07
    or (resid 131 and name HD22) (resid 91 and name HD21)
    or (resid 131 and name HD22) (resid 91 and name HD23)
    or (resid 131 and name HD21) (resid 91 and name HD22)
    or (resid 131 and name HD21) (resid 91 and name HD21)
    or (resid 131 and name HD21) (resid 91 and name HD23)
    or (resid 131 and name HD23) (resid 91 and name HD22)
    or (resid 131 and name HD23) (resid 91 and name HD21)
    or (resid 131 and name HD23) (resid 91 and name HD23)
assign (resid 131 and name HN) (resid 131 and name HD22) 3.035 1.151 1.151 weight 1.000 ! spec=HCH, no=5050, id=7871, vol=1.640000e+07
    or (resid 131 and name HN) (resid 131 and name HD21)
    or (resid 131 and name HN) (resid 131 and name HD23)
assign (resid 131 and name HD22) (resid 131 and name HA) 3.076 1.182 1.182 weight 1.000 ! spec=HCH, no=5051, id=7872, vol=1.510000e+07
    or (resid 131 and name HD21) (resid 131 and name HA)
    or (resid 131 and name HD23) (resid 131 and name HA)
assign (resid 131 and name HB1) (resid 131 and name HD22) 2.359 0.696 0.696 weight 1.000 ! spec=HCH, no=5052, id=7873, vol=7.430000e+07
    or (resid 131 and name HB1) (resid 131 and name HD21)
    or (resid 131 and name HB1) (resid 131 and name HD23)
assign (resid 131 and name HD22) (resid 131 and name HG) 2.189 0.599 0.599 weight 1.000 ! spec=HCH, no=5053, id=7874, vol=1.170000e+08
    or (resid 131 and name HD21) (resid 131 and name HG)
    or (resid 131 and name HD23) (resid 131 and name HG)
assign (resid 131 and name HD12) (resid 131 and name HD22) 1.891 0.447 0.447 weight 1.000 ! spec=HCH, no=5054, id=7875, vol=2.800000e+08
    or (resid 131 and name HD12) (resid 131 and name HD21)
    or (resid 131 and name HD12) (resid 131 and name HD23)
    or (resid 131 and name HD11) (resid 131 and name HD22)
    or (resid 131 and name HD11) (resid 131 and name HD21)
    or (resid 131 and name HD11) (resid 131 and name HD23)
    or (resid 131 and name HD13) (resid 131 and name HD22)
    or (resid 131 and name HD13) (resid 131 and name HD21)
    or (resid 131 and name HD13) (resid 131 and name HD23)
assign (resid 131 and name HD22) (resid 131 and name HD21) 1.236 0.191 0.191 weight 1.000 ! spec=HCH, no=5055, id=7876, vol=3.590000e+09
    or (resid 131 and name HD22) (resid 131 and name HD23)
    or (resid 131 and name HD22) (resid 131 and name HD21)
    or (resid 131 and name HD21) (resid 131 and name HD23)
    or (resid 131 and name HD22) (resid 131 and name HD23)
    or (resid 131 and name HD21) (resid 131 and name HD23)
assign (resid 136 and name HN) (resid 131 and name HD22) 3.698 1.710 1.710 weight 1.000 ! spec=HCH, no=5058, id=7879, vol=5.010000e+06
    or (resid 136 and name HN) (resid 131 and name HD21)
    or (resid 136 and name HN) (resid 131 and name HD23)
assign (resid 131 and name HD22) (resid 136 and name HA2) 2.823 0.996 0.996 weight 1.000 ! spec=HCH, no=5059, id=7880, vol=2.530000e+07
    or (resid 131 and name HD21) (resid 136 and name HA2)
    or (resid 131 and name HD23) (resid 136 and name HA2)
assign (resid 131 and name HD22) (resid 138 and name HA) 3.874 1.876 1.876 weight 1.000 ! spec=HCH, no=5060, id=7881, vol=3.800000e+06
    or (resid 131 and name HD21) (resid 138 and name HA)
    or (resid 131 and name HD23) (resid 138 and name HA)
assign (resid 131 and name HG) (resid 138 and name HE1) 3.932 1.932 1.932 weight 1.000 ! spec=HCH, no=5066, id=7887, vol=3.470000e+06
assign (resid 131 and name HG) (resid 88 and name HA) 3.814 1.819 1.819 weight 1.000 ! spec=HCH, no=5068, id=7889, vol=4.160000e+06
assign (resid 91 and name HD12) (resid 131 and name HG) 3.204 1.283 1.283 weight 1.000 ! spec=HCH, no=5069, id=7890, vol=1.190000e+07
    or (resid 91 and name HD11) (resid 131 and name HG)
    or (resid 91 and name HD13) (resid 131 and name HG)
assign (resid 91 and name HD22) (resid 131 and name HG) 3.836 1.839 1.839 weight 1.000 ! spec=HCH, no=5070, id=7891, vol=4.020000e+06
    or (resid 91 and name HD21) (resid 131 and name HG)
    or (resid 91 and name HD23) (resid 131 and name HG)
assign (resid 131 and name HN) (resid 131 and name HG) 3.392 1.438 1.438 weight 1.000 ! spec=HCH, no=5071, id=7892, vol=8.420000e+06
assign (resid 131 and name HG) (resid 131 and name HA) 3.053 1.165 1.165 weight 1.000 ! spec=HCH, no=5072, id=7893, vol=1.580000e+07
assign (resid 131 and name HG) (resid 136 and name HN) 3.785 1.790 1.790 weight 1.000 ! spec=HCH, no=5075, id=7896, vol=4.360000e+06
assign (resid 131 and name HG) (resid 136 and name HA2) 3.384 1.432 1.432 weight 1.000 ! spec=HCH, no=5076, id=7897, vol=8.540000e+06
assign (resid 88 and name HA) (resid 132 and name HA) 2.870 1.029 1.029 weight 1.000 ! spec=HCH, no=5084, id=7905, vol=2.300000e+07
assign (resid 132 and name HA) (resid 132 and name HB1) 3.081 1.187 1.187 weight 1.000 ! spec=HCH, no=5088, id=7908, vol=1.500000e+07
assign (resid 133 and name HN) (resid 132 and name HA) 2.480 0.769 0.769 weight 1.000 ! spec=HCH, no=5090, id=7910, vol=5.510000e+07
assign (resid 132 and name HA) (resid 133 and name HB) 3.474 1.508 1.508 weight 1.000 ! spec=HCH, no=5092, id=7912, vol=7.300000e+06
assign (resid 134 and name HN) (resid 132 and name HA) 3.667 1.681 1.681 weight 1.000 ! spec=HCH, no=5094, id=7914, vol=5.270000e+06
assign (resid 132 and name HB1) (resid 137 and name HB1) 3.644 1.660 1.660 weight 1.000 ! spec=HCH, no=5098, id=7918, vol=5.480000e+06
assign (resid 132 and name HB2) (resid 88 and name HA) 3.828 1.832 1.832 weight 1.000 ! spec=HCH, no=5100, id=7920, vol=4.070000e+06
assign (resid 132 and name HB2) (resid 132 and name HA) 3.068 1.176 1.176 weight 1.000 ! spec=HCH, no=5103, id=7923, vol=1.540000e+07
assign (resid 132 and name HB1) (resid 132 and name HB2) 2.439 0.744 0.744 weight 1.000 ! spec=HCH, no=5107, id=7926, vol=6.090000e+07
assign (resid 132 and name HB2) (resid 137 and name HB1) 3.340 1.395 1.395 weight 1.000 ! spec=HCH, no=5108, id=7927, vol=9.230000e+06
assign (resid 133 and name HA) (resid 133 and name HG11) 2.746 0.942 0.942 weight 1.000 ! spec=HCH, no=5113, id=7931, vol=2.990000e+07
assign (resid 133 and name HA) (resid 88 and name HA) 4.101 2.102 2.102 weight 1.000 ! spec=HCH, no=5116, id=7934, vol=2.700000e+06
assign (resid 132 and name HA) (resid 133 and name HA) 3.482 1.515 1.515 weight 1.000 ! spec=HCH, no=5117, id=7935, vol=7.200000e+06
assign (resid 133 and name HN) (resid 133 and name HA) 2.756 0.949 0.949 weight 1.000 ! spec=HCH, no=5118, id=7936, vol=2.930000e+07
assign (resid 133 and name HA) (resid 133 and name HB) 2.535 0.804 0.804 weight 1.000 ! spec=HCH, no=5120, id=7937, vol=4.830000e+07
assign (resid 134 and name HN) (resid 133 and name HA) 3.458 1.495 1.495 weight 1.000 ! spec=HCH, no=5121, id=7938, vol=7.500000e+06
assign (resid 133 and name HA) (resid 136 and name HN) 3.273 1.339 1.339 weight 1.000 ! spec=HCH, no=5122, id=7939, vol=1.040000e+07
assign (resid 133 and name HA) (resid 136 and name HA1) 3.929 1.930 1.930 weight 1.000 ! spec=HCH, no=5123, id=7940, vol=3.490000e+06
assign (resid 133 and name HB) (resid 133 and name HD12) 2.577 0.830 0.830 weight 1.000 ! spec=HCH, no=5133, id=7949, vol=4.370000e+07
    or (resid 133 and name HB) (resid 133 and name HD11)
    or (resid 133 and name HB) (resid 133 and name HD13)
assign (resid 134 and name HN) (resid 133 and name HB) 3.207 1.286 1.286 weight 1.000 ! spec=HCH, no=5135, id=7951, vol=1.180000e+07
assign (resid 85 and name HA1) (resid 133 and name HD12) 2.816 0.991 0.991 weight 1.000 ! spec=HCH, no=5136, id=7952, vol=2.570000e+07
    or (resid 85 and name HA1) (resid 133 and name HD11)
    or (resid 85 and name HA1) (resid 133 and name HD13)
assign (resid 133 and name HD12) (resid 80 and name HE2) 2.933 1.075 1.075 weight 1.000 ! spec=HCH, no=5140, id=7956, vol=2.020000e+07
    or (resid 133 and name HD11) (resid 80 and name HE2)
    or (resid 133 and name HD13) (resid 80 and name HE2)
assign (resid 133 and name HD12) (resid 132 and name HA) 3.396 1.442 1.442 weight 1.000 ! spec=HCH, no=5143, id=7959, vol=8.360000e+06
    or (resid 133 and name HD11) (resid 132 and name HA)
    or (resid 133 and name HD13) (resid 132 and name HA)
assign (resid 133 and name HD12) (resid 133 and name HA) 2.420 0.732 0.732 weight 1.000 ! spec=HCH, no=5146, id=7962, vol=6.380000e+07
    or (resid 133 and name HD11) (resid 133 and name HA)
    or (resid 133 and name HD13) (resid 133 and name HA)
assign (resid 133 and name HD12) (resid 133 and name HG11) 2.012 0.506 0.506 weight 1.000 ! spec=HCH, no=5147, id=7963, vol=1.930000e+08
    or (resid 133 and name HD11) (resid 133 and name HG11)
    or (resid 133 and name HD13) (resid 133 and name HG11)
assign (resid 133 and name HG12) (resid 76 and name HA) 3.974 1.974 1.974 weight 1.000 ! spec=HCH, no=5149, id=7965, vol=3.260000e+06
assign (resid 133 and name HG11) (resid 76 and name HA) 3.737 1.746 1.746 weight 1.000 ! spec=HCH, no=5150, id=7966, vol=4.710000e+06
assign (resid 133 and name HG12) (resid 80 and name HN) 3.891 1.892 1.892 weight 1.000 ! spec=HCH, no=5151, id=7967, vol=3.700000e+06
assign (resid 133 and name HG12) (resid 87 and name HA) 3.343 1.397 1.397 weight 1.000 ! spec=HCH, no=5153, id=7969, vol=9.190000e+06
assign (resid 133 and name HG11) (resid 87 and name HA) 3.417 1.459 1.459 weight 1.000 ! spec=HCH, no=5154, id=7970, vol=8.060000e+06
assign (resid 133 and name HG12) (resid 88 and name HA) 3.711 1.722 1.722 weight 1.000 ! spec=HCH, no=5155, id=7971, vol=4.910000e+06
assign (resid 133 and name HG11) (resid 88 and name HA) 3.706 1.717 1.717 weight 1.000 ! spec=HCH, no=5156, id=7972, vol=4.950000e+06
assign (resid 132 and name HA) (resid 133 and name HG12) 3.937 1.937 1.937 weight 1.000 ! spec=HCH, no=5157, id=7973, vol=3.440000e+06
assign (resid 133 and name HG11) (resid 132 and name HA) 3.934 1.934 1.934 weight 1.000 ! spec=HCH, no=5158, id=7974, vol=3.460000e+06
assign (resid 133 and name HG11) (resid 133 and name HN) 2.917 1.063 1.063 weight 1.000 ! spec=HCH, no=5160, id=7976, vol=2.080000e+07
assign (resid 133 and name HG12) (resid 133 and name HA) 3.121 1.217 1.217 weight 1.000 ! spec=HCH, no=5161, id=7977, vol=1.390000e+07
assign (resid 133 and name HB) (resid 133 and name HG12) 2.856 1.019 1.019 weight 1.000 ! spec=HCH, no=5163, id=7979, vol=2.360000e+07
assign (resid 133 and name HB) (resid 133 and name HG11) 2.703 0.913 0.913 weight 1.000 ! spec=HCH, no=5164, id=7980, vol=3.290000e+07
assign (resid 133 and name HG11) (resid 133 and name HG12) 2.093 0.548 0.548 weight 1.000 ! spec=HCH, no=5166, id=7981, vol=1.520000e+08
assign (resid 133 and name HG12) (resid 133 and name HD12) 2.599 0.844 0.844 weight 1.000 ! spec=HCH, no=5169, id=7983, vol=4.160000e+07
    or (resid 133 and name HG12) (resid 133 and name HD11)
    or (resid 133 and name HG12) (resid 133 and name HD13)
assign (resid 133 and name HG12) (resid 133 and name HG22) 2.695 0.908 0.908 weight 1.000 ! spec=HCH, no=5171, id=7985, vol=3.350000e+07
    or (resid 133 and name HG12) (resid 133 and name HG21)
    or (resid 133 and name HG12) (resid 133 and name HG23)
assign (resid 133 and name HG11) (resid 133 and name HG22) 2.677 0.896 0.896 weight 1.000 ! spec=HCH, no=5172, id=7986, vol=3.480000e+07
    or (resid 133 and name HG11) (resid 133 and name HG21)
    or (resid 133 and name HG11) (resid 133 and name HG23)
assign (resid 133 and name HG11) (resid 134 and name HN) 3.615 1.634 1.634 weight 1.000 ! spec=HCH, no=5173, id=7987, vol=5.740000e+06
assign (resid 133 and name HG22) (resid 134 and name HA) 2.744 0.941 0.941 weight 1.000 ! spec=HCH, no=5174, id=7988, vol=3.000000e+07
    or (resid 133 and name HG21) (resid 134 and name HA)
    or (resid 133 and name HG23) (resid 134 and name HA)
assign (resid 133 and name HG22) (resid 88 and name HA) 3.359 1.411 1.411 weight 1.000 ! spec=HCH, no=5178, id=7992, vol=8.920000e+06
    or (resid 133 and name HG21) (resid 88 and name HA)
    or (resid 133 and name HG23) (resid 88 and name HA)
assign (resid 133 and name HG22) (resid 77 and name HA) 3.314 1.373 1.373 weight 1.000 ! spec=HCH, no=5182, id=7995, vol=9.680000e+06
    or (resid 133 and name HG21) (resid 77 and name HA)
    or (resid 133 and name HG23) (resid 77 and name HA)
assign (resid 133 and name HG22) (resid 80 and name HN) 3.129 1.224 1.224 weight 1.000 ! spec=HCH, no=5183, id=7996, vol=1.370000e+07
    or (resid 133 and name HG21) (resid 80 and name HN)
    or (resid 133 and name HG23) (resid 80 and name HN)
assign (resid 133 and name HG22) (resid 80 and name HG2) 2.122 0.563 0.563 weight 1.000 ! spec=HCH, no=5185, id=7998, vol=1.400000e+08
    or (resid 133 and name HG21) (resid 80 and name HG2)
    or (resid 133 and name HG23) (resid 80 and name HG2)
assign (resid 133 and name HG22) (resid 80 and name HD2) 2.363 0.698 0.698 weight 1.000 ! spec=HCH, no=5186, id=7999, vol=7.360000e+07
    or (resid 133 and name HG21) (resid 80 and name HD2)
    or (resid 133 and name HG23) (resid 80 and name HD2)
assign (resid 80 and name HE2) (resid 133 and name HG22) 2.647 0.876 0.876 weight 1.000 ! spec=HCH, no=5187, id=8000, vol=3.730000e+07
    or (resid 80 and name HE2) (resid 133 and name HG21)
    or (resid 80 and name HE2) (resid 133 and name HG23)
assign (resid 133 and name HA) (resid 133 and name HG22) 2.270 0.644 0.644 weight 1.000 ! spec=HCH, no=5191, id=8004, vol=9.380000e+07
    or (resid 133 and name HA) (resid 133 and name HG21)
    or (resid 133 and name HA) (resid 133 and name HG23)
assign (resid 133 and name HB) (resid 133 and name HG22) 2.007 0.503 0.503 weight 1.000 ! spec=HCH, no=5192, id=8005, vol=1.960000e+08
    or (resid 133 and name HB) (resid 133 and name HG21)
    or (resid 133 and name HB) (resid 133 and name HG23)
assign (resid 134 and name HN) (resid 133 and name HG22) 2.780 0.966 0.966 weight 1.000 ! spec=HCH, no=5193, id=8006, vol=2.780000e+07
    or (resid 134 and name HN) (resid 133 and name HG21)
    or (resid 134 and name HN) (resid 133 and name HG23)
assign (resid 134 and name HA) (resid 80 and name HE2) 3.518 1.547 1.547 weight 1.000 ! spec=HCH, no=5196, id=8009, vol=6.770000e+06
    or (resid 134 and name HA) (resid 80 and name HE1)
assign (resid 134 and name HN) (resid 134 and name HA) 2.708 0.917 0.917 weight 1.000 ! spec=HCH, no=5198, id=8011, vol=3.250000e+07
assign (resid 134 and name HA) (resid 76 and name HD22) 3.834 1.838 1.838 weight 1.000 ! spec=HCH, no=5203, id=8016, vol=4.040000e+06
    or (resid 134 and name HA) (resid 76 and name HD21)
    or (resid 134 and name HA) (resid 76 and name HD23)
assign (resid 134 and name HN) (resid 134 and name HB2) 2.435 0.741 0.741 weight 1.000 ! spec=HCH, no=5214, id=8026, vol=6.150000e+07
assign (resid 134 and name HA) (resid 134 and name HB2) 2.287 0.654 0.654 weight 1.000 ! spec=HCH, no=5215, id=8027, vol=8.970000e+07
assign (resid 134 and name HB2) (resid 134 and name HE2) 3.345 1.398 1.398 weight 1.000 ! spec=HCH, no=5217, id=8029, vol=9.160000e+06
assign (resid 134 and name HB2) (resid 135 and name HA) 3.591 1.612 1.612 weight 1.000 ! spec=HCH, no=5219, id=8031, vol=5.980000e+06
assign (resid 134 and name HE2) (resid 134 and name HG1) 2.559 0.819 0.819 weight 1.000 ! spec=HCH, no=5227, id=8037, vol=4.560000e+07
assign (resid 134 and name HE2) (resid 134 and name HG2) 2.397 0.718 0.718 weight 1.000 ! spec=HCH, no=5230, id=8040, vol=6.760000e+07
assign (resid 134 and name HG2) (resid 132 and name HD2) 3.574 1.597 1.597 weight 1.000 ! spec=HCH, no=5234, id=8043, vol=6.150000e+06
assign (resid 134 and name HG1) (resid 132 and name HE1) 3.747 1.755 1.755 weight 1.000 ! spec=HCH, no=5237, id=8046, vol=4.640000e+06
assign (resid 134 and name HG2) (resid 134 and name HN) 3.174 1.259 1.259 weight 1.000 ! spec=HCH, no=5238, id=8047, vol=1.250000e+07
assign (resid 134 and name HG2) (resid 134 and name HA) 2.834 1.004 1.004 weight 1.000 ! spec=HCH, no=5239, id=8048, vol=2.470000e+07
assign (resid 134 and name HG1) (resid 134 and name HA) 2.875 1.033 1.033 weight 1.000 ! spec=HCH, no=5240, id=8049, vol=2.270000e+07
assign (resid 134 and name HB2) (resid 134 and name HG1) 1.985 0.493 0.493 weight 1.000 ! spec=HCH, no=5242, id=8051, vol=2.100000e+08
assign (resid 134 and name HG2) (resid 135 and name HN) 3.755 1.763 1.763 weight 1.000 ! spec=HCH, no=5245, id=8054, vol=4.570000e+06
assign (resid 135 and name HB) (resid 135 and name HN) 3.372 1.421 1.421 weight 1.000 ! spec=HCH, no=5251, id=8059, vol=8.720000e+06
assign (resid 135 and name HA) (resid 135 and name HB) 2.354 0.693 0.693 weight 1.000 ! spec=HCH, no=5252, id=8060, vol=7.530000e+07
assign (resid 135 and name HB) (resid 136 and name HN) 3.582 1.604 1.604 weight 1.000 ! spec=HCH, no=5255, id=8062, vol=6.070000e+06
assign (resid 135 and name HB) (resid 137 and name HN) 3.157 1.246 1.246 weight 1.000 ! spec=HCH, no=5256, id=8063, vol=1.300000e+07
assign (resid 135 and name HB) (resid 137 and name HG1) 2.925 1.070 1.070 weight 1.000 ! spec=HCH, no=5258, id=8065, vol=2.050000e+07
assign (resid 135 and name HG21) (resid 134 and name HN) 3.395 1.441 1.441 weight 1.000 ! spec=HCH, no=5265, id=8072, vol=8.370000e+06
    or (resid 135 and name HG22) (resid 134 and name HN)
    or (resid 135 and name HG23) (resid 134 and name HN)
assign (resid 135 and name HG21) (resid 134 and name HA) 3.274 1.340 1.340 weight 1.000 ! spec=HCH, no=5266, id=8073, vol=1.040000e+07
    or (resid 135 and name HG22) (resid 134 and name HA)
    or (resid 135 and name HG23) (resid 134 and name HA)
assign (resid 135 and name HG21) (resid 134 and name HB2) 2.296 0.659 0.659 weight 1.000 ! spec=HCH, no=5267, id=8074, vol=8.760000e+07
    or (resid 135 and name HG22) (resid 134 and name HB2)
    or (resid 135 and name HG23) (resid 134 and name HB2)
assign (resid 135 and name HG21) (resid 134 and name HE2) 3.543 1.569 1.569 weight 1.000 ! spec=HCH, no=5268, id=8075, vol=6.480000e+06
    or (resid 135 and name HG22) (resid 134 and name HE2)
    or (resid 135 and name HG23) (resid 134 and name HE2)
assign (resid 135 and name HN) (resid 135 and name HG21) 2.540 0.806 0.806 weight 1.000 ! spec=HCH, no=5269, id=8076, vol=4.770000e+07
    or (resid 135 and name HN) (resid 135 and name HG22)
    or (resid 135 and name HN) (resid 135 and name HG23)
assign (resid 135 and name HA) (resid 135 and name HG21) 2.134 0.569 0.569 weight 1.000 ! spec=HCH, no=5270, id=8077, vol=1.360000e+08
    or (resid 135 and name HA) (resid 135 and name HG22)
    or (resid 135 and name HA) (resid 135 and name HG23)
assign (resid 135 and name HB) (resid 135 and name HG21) 2.098 0.550 0.550 weight 1.000 ! spec=HCH, no=5271, id=8078, vol=1.500000e+08
    or (resid 135 and name HB) (resid 135 and name HG22)
    or (resid 135 and name HB) (resid 135 and name HG23)
assign (resid 135 and name HG21) (resid 135 and name HG22) 1.216 0.185 0.185 weight 1.000 ! spec=HCH, no=5272, id=8079, vol=3.960000e+09
    or (resid 135 and name HG21) (resid 135 and name HG23)
    or (resid 135 and name HG21) (resid 135 and name HG22)
    or (resid 135 and name HG22) (resid 135 and name HG23)
    or (resid 135 and name HG21) (resid 135 and name HG23)
    or (resid 135 and name HG22) (resid 135 and name HG23)
assign (resid 136 and name HN) (resid 135 and name HG21) 3.042 1.157 1.157 weight 1.000 ! spec=HCH, no=5273, id=8080, vol=1.620000e+07
    or (resid 136 and name HN) (resid 135 and name HG22)
    or (resid 136 and name HN) (resid 135 and name HG23)
assign (resid 136 and name HA2) (resid 137 and name HG1) 4.048 2.048 2.048 weight 1.000 ! spec=HCH, no=5275, id=8082, vol=2.920000e+06
assign (resid 72 and name HD22) (resid 136 and name HA2) 3.438 1.478 1.478 weight 1.000 ! spec=HCH, no=5279, id=8086, vol=7.760000e+06
assign (resid 136 and name HA1) (resid 132 and name HB2) 3.985 1.985 1.985 weight 1.000 ! spec=HCH, no=5281, id=8088, vol=3.200000e+06
assign (resid 136 and name HA1) (resid 135 and name HA) 3.746 1.754 1.754 weight 1.000 ! spec=HCH, no=5282, id=8089, vol=4.640000e+06
assign (resid 72 and name HD22) (resid 136 and name HA1) 3.352 1.405 1.405 weight 1.000 ! spec=HCH, no=5283, id=8090, vol=9.030000e+06
assign (resid 136 and name HA2) (resid 76 and name HB2) 3.895 1.896 1.896 weight 1.000 ! spec=HCH, no=5284, id=8091, vol=3.670000e+06
assign (resid 136 and name HA1) (resid 76 and name HB2) 3.884 1.886 1.886 weight 1.000 ! spec=HCH, no=5285, id=8092, vol=3.730000e+06
assign (resid 136 and name HA1) (resid 76 and name HB1) 3.971 1.971 1.971 weight 1.000 ! spec=HCH, no=5286, id=8093, vol=3.270000e+06
assign (resid 136 and name HA2) (resid 76 and name HG) 3.773 1.779 1.779 weight 1.000 ! spec=HCH, no=5287, id=8094, vol=4.450000e+06
assign (resid 131 and name HD12) (resid 136 and name HA1) 2.565 0.822 0.822 weight 1.000 ! spec=HCH, no=5289, id=8096, vol=4.510000e+07
    or (resid 131 and name HD11) (resid 136 and name HA1)
    or (resid 131 and name HD13) (resid 136 and name HA1)
assign (resid 136 and name HA1) (resid 131 and name HD22) 3.552 1.577 1.577 weight 1.000 ! spec=HCH, no=5291, id=8098, vol=6.380000e+06
    or (resid 136 and name HA1) (resid 131 and name HD21)
    or (resid 136 and name HA1) (resid 131 and name HD23)
assign (resid 135 and name HN) (resid 136 and name HA1) 3.469 1.504 1.504 weight 1.000 ! spec=HCH, no=5293, id=8100, vol=7.360000e+06
assign (resid 136 and name HA2) (resid 135 and name HA) 3.744 1.753 1.753 weight 1.000 ! spec=HCH, no=5294, id=8101, vol=4.650000e+06
assign (resid 136 and name HA1) (resid 136 and name HA2) 2.249 0.632 0.632 weight 1.000 ! spec=HCH, no=5298, id=8104, vol=9.920000e+07
assign (resid 136 and name HA1) (resid 137 and name HN) 3.437 1.477 1.477 weight 1.000 ! spec=HCH, no=5302, id=8107, vol=7.770000e+06
assign (resid 136 and name HA2) (resid 137 and name HA) 3.844 1.847 1.847 weight 1.000 ! spec=HCH, no=5303, id=8108, vol=3.980000e+06
assign (resid 136 and name HA1) (resid 137 and name HG1) 3.885 1.887 1.887 weight 1.000 ! spec=HCH, no=5304, id=8109, vol=3.730000e+06
assign (resid 114 and name HB1) (resid 137 and name HA) 2.700 0.911 0.911 weight 1.000 ! spec=HCH, no=5305, id=8110, vol=3.310000e+07
assign (resid 138 and name HN) (resid 137 and name HA) 2.291 0.656 0.656 weight 1.000 ! spec=HCH, no=5310, id=8115, vol=8.860000e+07
assign (resid 137 and name HA) (resid 138 and name HA) 3.465 1.501 1.501 weight 1.000 ! spec=HCH, no=5311, id=8116, vol=7.410000e+06
assign (resid 137 and name HB2) (resid 116 and name HG21) 3.050 1.162 1.162 weight 1.000 ! spec=HCH, no=5314, id=8119, vol=1.590000e+07
    or (resid 137 and name HB2) (resid 116 and name HG22)
    or (resid 137 and name HB2) (resid 116 and name HG23)
assign (resid 137 and name HB1) (resid 116 and name HG21) 3.250 1.320 1.320 weight 1.000 ! spec=HCH, no=5320, id=8125, vol=1.090000e+07
    or (resid 137 and name HB1) (resid 116 and name HG22)
    or (resid 137 and name HB1) (resid 116 and name HG23)
assign (resid 136 and name HN) (resid 137 and name HB1) 3.866 1.869 1.869 weight 1.000 ! spec=HCH, no=5323, id=8128, vol=3.840000e+06
assign (resid 137 and name HN) (resid 137 and name HB1) 3.097 1.199 1.199 weight 1.000 ! spec=HCH, no=5325, id=8130, vol=1.450000e+07
assign (resid 137 and name HB2) (resid 137 and name HA) 2.840 1.008 1.008 weight 1.000 ! spec=HCH, no=5326, id=8131, vol=2.440000e+07
assign (resid 137 and name HB1) (resid 137 and name HA) 2.935 1.077 1.077 weight 1.000 ! spec=HCH, no=5327, id=8132, vol=2.010000e+07
assign (resid 138 and name HN) (resid 137 and name HB2) 3.133 1.227 1.227 weight 1.000 ! spec=HCH, no=5328, id=8133, vol=1.360000e+07
assign (resid 116 and name HG21) (resid 137 and name HG2) 3.150 1.240 1.240 weight 1.000 ! spec=HCH, no=5330, id=8135, vol=1.310000e+07
    or (resid 116 and name HG22) (resid 137 and name HG2)
    or (resid 116 and name HG23) (resid 137 and name HG2)
assign (resid 137 and name HG2) (resid 137 and name HA) 2.804 0.983 0.983 weight 1.000 ! spec=HCH, no=5331, id=8136, vol=2.640000e+07
assign (resid 137 and name HG2) (resid 137 and name HN) 3.045 1.159 1.159 weight 1.000 ! spec=HCH, no=5334, id=8139, vol=1.610000e+07
assign (resid 137 and name HG2) (resid 138 and name HN) 3.383 1.431 1.431 weight 1.000 ! spec=HCH, no=5335, id=8140, vol=8.550000e+06
assign (resid 138 and name HA) (resid 139 and name HB2) 3.621 1.639 1.639 weight 1.000 ! spec=HCH, no=5339, id=8144, vol=5.690000e+06
assign (resid 138 and name HA) (resid 114 and name HB2) 4.193 2.198 2.198 weight 1.000 ! spec=HCH, no=5347, id=8152, vol=2.360000e+06
assign (resid 138 and name HA) (resid 115 and name HA) 3.834 1.837 1.837 weight 1.000 ! spec=HCH, no=5348, id=8153, vol=4.040000e+06
assign (resid 138 and name HA) (resid 115 and name HE3) 3.952 1.953 1.953 weight 1.000 ! spec=HCH, no=5349, id=8154, vol=3.360000e+06
assign (resid 130 and name HN) (resid 138 and name HA) 2.986 1.115 1.115 weight 1.000 ! spec=HCH, no=5350, id=8155, vol=1.810000e+07
assign (resid 138 and name HA) (resid 131 and name HA) 2.825 0.998 0.998 weight 1.000 ! spec=HCH, no=5351, id=8156, vol=2.520000e+07
assign (resid 132 and name HN) (resid 138 and name HA) 2.986 1.115 1.115 weight 1.000 ! spec=HCH, no=5352, id=8157, vol=1.810000e+07
assign (resid 138 and name HA) (resid 138 and name HB1) 2.711 0.918 0.918 weight 1.000 ! spec=HCH, no=5356, id=8160, vol=3.230000e+07
assign (resid 138 and name HA) (resid 139 and name HE1) 3.673 1.686 1.686 weight 1.000 ! spec=HCH, no=5360, id=8164, vol=5.230000e+06
assign (resid 138 and name HA) (resid 139 and name HG1) 3.783 1.789 1.789 weight 1.000 ! spec=HCH, no=5361, id=8165, vol=4.380000e+06
assign (resid 138 and name HB2) (resid 138 and name HD1) 3.976 1.977 1.977 weight 1.000 ! spec=HCH, no=5363, id=8167, vol=3.240000e+06
assign (resid 115 and name HA) (resid 138 and name HB1) 3.181 1.265 1.265 weight 1.000 ! spec=HCH, no=5370, id=8174, vol=1.240000e+07
assign (resid 138 and name HB2) (resid 115 and name HE3) 3.406 1.450 1.450 weight 1.000 ! spec=HCH, no=5371, id=8175, vol=8.210000e+06
assign (resid 138 and name HB1) (resid 115 and name HE3) 3.363 1.413 1.413 weight 1.000 ! spec=HCH, no=5372, id=8176, vol=8.870000e+06
assign (resid 138 and name HB2) (resid 115 and name HZ2) 3.758 1.766 1.766 weight 1.000 ! spec=HCH, no=5373, id=8177, vol=4.550000e+06
assign (resid 138 and name HB1) (resid 115 and name HZ2) 3.660 1.674 1.674 weight 1.000 ! spec=HCH, no=5374, id=8178, vol=5.340000e+06
assign (resid 138 and name HB2) (resid 115 and name HZ3) 3.733 1.742 1.742 weight 1.000 ! spec=HCH, no=5375, id=8179, vol=4.740000e+06
assign (resid 138 and name HB1) (resid 115 and name HZ3) 3.652 1.667 1.667 weight 1.000 ! spec=HCH, no=5376, id=8180, vol=5.400000e+06
assign (resid 138 and name HB1) (resid 138 and name HN) 3.294 1.356 1.356 weight 1.000 ! spec=HCH, no=5378, id=8182, vol=1.000000e+07
assign (resid 138 and name HB2) (resid 138 and name HA) 3.220 1.296 1.296 weight 1.000 ! spec=HCH, no=5379, id=8183, vol=1.150000e+07
assign (resid 138 and name HB1) (resid 138 and name HE3) 3.195 1.276 1.276 weight 1.000 ! spec=HCH, no=5383, id=8187, vol=1.210000e+07
assign (resid 139 and name HA) (resid 115 and name HE3) 3.097 1.199 1.199 weight 1.000 ! spec=HCH, no=5388, id=8192, vol=1.450000e+07
assign (resid 139 and name HA) (resid 138 and name HB2) 3.417 1.460 1.460 weight 1.000 ! spec=HCH, no=5389, id=8193, vol=8.060000e+06
assign (resid 139 and name HA) (resid 139 and name HB2) 2.561 0.820 0.820 weight 1.000 ! spec=HCH, no=5391, id=8195, vol=4.550000e+07
assign (resid 139 and name HA) (resid 139 and name HB1) 2.604 0.847 0.847 weight 1.000 ! spec=HCH, no=5392, id=8196, vol=4.120000e+07
assign (resid 139 and name HA) (resid 139 and name HG1) 2.836 1.005 1.005 weight 1.000 ! spec=HCH, no=5393, id=8197, vol=2.470000e+07
assign (resid 127 and name HG21) (resid 139 and name HB2) 3.778 1.785 1.785 weight 1.000 ! spec=HCH, no=5396, id=8200, vol=4.410000e+06
    or (resid 127 and name HG22) (resid 139 and name HB2)
    or (resid 127 and name HG23) (resid 139 and name HB2)
assign (resid 139 and name HB1) (resid 130 and name HD1) 4.019 2.019 2.019 weight 1.000 ! spec=HCH, no=5399, id=8203, vol=3.040000e+06
    or (resid 139 and name HB1) (resid 130 and name HD2)
assign (resid 139 and name HB2) (resid 118 and name HE22) 3.872 1.874 1.874 weight 1.000 ! spec=HCH, no=5401, id=8205, vol=3.810000e+06
assign (resid 139 and name HB1) (resid 118 and name HE22) 4.011 2.011 2.011 weight 1.000 ! spec=HCH, no=5402, id=8206, vol=3.080000e+06
assign (resid 130 and name HN) (resid 139 and name HB1) 3.723 1.733 1.733 weight 1.000 ! spec=HCH, no=5404, id=8208, vol=4.820000e+06
assign (resid 139 and name HB1) (resid 138 and name HA) 3.839 1.842 1.842 weight 1.000 ! spec=HCH, no=5407, id=8211, vol=4.000000e+06
assign (resid 139 and name HB1) (resid 139 and name HE2) 2.941 1.081 1.081 weight 1.000 ! spec=HCH, no=5414, id=8216, vol=1.980000e+07
assign (resid 139 and name HB2) (resid 139 and name HE1) 3.006 1.130 1.130 weight 1.000 ! spec=HCH, no=5415, id=8217, vol=1.740000e+07
assign (resid 139 and name HB2) (resid 139 and name HG2) 2.719 0.924 0.924 weight 1.000 ! spec=HCH, no=5416, id=8218, vol=3.180000e+07
assign (resid 139 and name HB1) (resid 139 and name HG2) 2.727 0.930 0.930 weight 1.000 ! spec=HCH, no=5417, id=8219, vol=3.120000e+07
assign (resid 139 and name HB2) (resid 139 and name HG1) 2.592 0.840 0.840 weight 1.000 ! spec=HCH, no=5418, id=8220, vol=4.220000e+07
assign (resid 139 and name HB1) (resid 139 and name HG1) 2.608 0.850 0.850 weight 1.000 ! spec=HCH, no=5419, id=8221, vol=4.080000e+07
assign (resid 139 and name HB2) (resid 140 and name HN) 3.041 1.156 1.156 weight 1.000 ! spec=HCH, no=5420, id=8222, vol=1.620000e+07
assign (resid 139 and name HB1) (resid 140 and name HN) 3.034 1.150 1.150 weight 1.000 ! spec=HCH, no=5421, id=8223, vol=1.640000e+07
assign (resid 139 and name HD2) (resid 139 and name HA) 3.801 1.806 1.806 weight 1.000 ! spec=HCH, no=5422, id=8224, vol=4.250000e+06
assign (resid 139 and name HD2) (resid 128 and name HN) 3.862 1.865 1.865 weight 1.000 ! spec=HCH, no=5423, id=8225, vol=3.860000e+06
assign (resid 139 and name HD2) (resid 139 and name HE1) 2.720 0.925 0.925 weight 1.000 ! spec=HCH, no=5426, id=8228, vol=3.170000e+07
assign (resid 139 and name HE1) (resid 139 and name HB1) 3.321 1.378 1.378 weight 1.000 ! spec=HCH, no=5434, id=8236, vol=9.560000e+06
assign (resid 139 and name HE2) (resid 139 and name HG2) 2.801 0.981 0.981 weight 1.000 ! spec=HCH, no=5435, id=8237, vol=2.660000e+07
assign (resid 139 and name HE1) (resid 139 and name HG2) 2.876 1.034 1.034 weight 1.000 ! spec=HCH, no=5436, id=8238, vol=2.270000e+07
assign (resid 130 and name HN) (resid 139 and name HG1) 3.718 1.728 1.728 weight 1.000 ! spec=HCH, no=5443, id=8245, vol=4.860000e+06
assign (resid 139 and name HG1) (resid 132 and name HB1) 4.220 2.226 2.226 weight 1.000 ! spec=HCH, no=5445, id=8247, vol=2.270000e+06
assign (resid 139 and name HG2) (resid 138 and name HA) 3.902 1.903 1.903 weight 1.000 ! spec=HCH, no=5447, id=8249, vol=3.630000e+06
assign (resid 139 and name HG2) (resid 139 and name HA) 3.355 1.407 1.407 weight 1.000 ! spec=HCH, no=5451, id=8253, vol=8.980000e+06
assign (resid 139 and name HE1) (resid 139 and name HG1) 2.889 1.043 1.043 weight 1.000 ! spec=HCH, no=5454, id=8256, vol=2.210000e+07
assign (resid 118 and name HE22) (resid 140 and name HA) 3.563 1.587 1.587 weight 1.000 ! spec=HCH, no=5457, id=8259, vol=6.270000e+06
assign (resid 140 and name HA) (resid 140 and name HG2) 2.802 0.982 0.982 weight 1.000 ! spec=HCH, no=5460, id=8262, vol=2.650000e+07
assign (resid 140 and name HA) (resid 140 and name HB2) 2.796 0.977 0.977 weight 1.000 ! spec=HCH, no=5461, id=8263, vol=2.680000e+07
assign (resid 124 and name HD22) (resid 140 and name HA) 3.673 1.687 1.687 weight 1.000 ! spec=HCH, no=5462, id=8264, vol=5.220000e+06
    or (resid 124 and name HD21) (resid 140 and name HA)
    or (resid 124 and name HD23) (resid 140 and name HA)
assign (resid 140 and name HA) (resid 115 and name HH2) 3.800 1.805 1.805 weight 1.000 ! spec=HCH, no=5463, id=8265, vol=4.260000e+06
assign (resid 140 and name HA) (resid 115 and name HZ2) 3.704 1.715 1.715 weight 1.000 ! spec=HCH, no=5464, id=8266, vol=4.970000e+06
assign (resid 140 and name HA) (resid 129 and name HB2) 2.711 0.919 0.919 weight 1.000 ! spec=HCH, no=5466, id=8268, vol=3.230000e+07
    or (resid 140 and name HA) (resid 129 and name HB1)
    or (resid 140 and name HA) (resid 129 and name HB3)
assign (resid 140 and name HA) (resid 140 and name HB1) 2.685 0.901 0.901 weight 1.000 ! spec=HCH, no=5468, id=8270, vol=3.420000e+07
assign (resid 140 and name HB2) (resid 141 and name HA2) 3.910 1.911 1.911 weight 1.000 ! spec=HCH, no=5471, id=8273, vol=3.590000e+06
assign (resid 140 and name HB2) (resid 124 and name HB2) 2.915 1.062 1.062 weight 1.000 ! spec=HCH, no=5473, id=8275, vol=2.090000e+07
assign (resid 140 and name HB1) (resid 124 and name HB2) 2.841 1.009 1.009 weight 1.000 ! spec=HCH, no=5474, id=8276, vol=2.440000e+07
assign (resid 140 and name HB1) (resid 139 and name HA) 3.944 1.944 1.944 weight 1.000 ! spec=HCH, no=5476, id=8278, vol=3.410000e+06
assign (resid 140 and name HB2) (resid 124 and name HD22) 3.352 1.405 1.405 weight 1.000 ! spec=HCH, no=5480, id=8282, vol=9.040000e+06
    or (resid 140 and name HB2) (resid 124 and name HD21)
    or (resid 140 and name HB2) (resid 124 and name HD23)
assign (resid 140 and name HN) (resid 140 and name HB1) 2.984 1.113 1.113 weight 1.000 ! spec=HCH, no=5484, id=8286, vol=1.820000e+07
assign (resid 141 and name HN) (resid 140 and name HB2) 3.379 1.427 1.427 weight 1.000 ! spec=HCH, no=5487, id=8289, vol=8.620000e+06
assign (resid 139 and name HA) (resid 140 and name HD2) 3.847 1.850 1.850 weight 1.000 ! spec=HCH, no=5489, id=8291, vol=3.960000e+06
assign (resid 118 and name HG2) (resid 140 and name HD2) 3.939 1.940 1.940 weight 1.000 ! spec=HCH, no=5496, id=8298, vol=3.430000e+06
assign (resid 140 and name HD2) (resid 124 and name HD12) 2.910 1.058 1.058 weight 1.000 ! spec=HCH, no=5497, id=8299, vol=2.110000e+07
    or (resid 140 and name HD2) (resid 124 and name HD11)
    or (resid 140 and name HD2) (resid 124 and name HD13)
assign (resid 140 and name HD2) (resid 140 and name HN) 3.063 1.173 1.173 weight 1.000 ! spec=HCH, no=5501, id=8303, vol=1.550000e+07
assign (resid 140 and name HD2) (resid 140 and name HA) 3.198 1.279 1.279 weight 1.000 ! spec=HCH, no=5502, id=8304, vol=1.200000e+07
assign (resid 140 and name HD2) (resid 140 and name HE2) 2.588 0.837 0.837 weight 1.000 ! spec=HCH, no=5503, id=8305, vol=4.270000e+07
assign (resid 140 and name HD2) (resid 140 and name HG2) 2.391 0.714 0.714 weight 1.000 ! spec=HCH, no=5504, id=8306, vol=6.870000e+07
assign (resid 140 and name HE1) (resid 115 and name HE3) 3.886 1.888 1.888 weight 1.000 ! spec=HCH, no=5507, id=8308, vol=3.720000e+06
assign (resid 140 and name HE1) (resid 140 and name HN) 3.855 1.858 1.858 weight 1.000 ! spec=HCH, no=5519, id=8320, vol=3.900000e+06
assign (resid 140 and name HE1) (resid 140 and name HA) 3.979 1.979 1.979 weight 1.000 ! spec=HCH, no=5520, id=8321, vol=3.230000e+06
assign (resid 140 and name HE1) (resid 140 and name HE2) 2.052 0.526 0.526 weight 1.000 ! spec=HCH, no=5523, id=8324, vol=1.720000e+08
assign (resid 140 and name HE2) (resid 140 and name HG2) 2.907 1.056 1.056 weight 1.000 ! spec=HCH, no=5525, id=8325, vol=2.130000e+07
assign (resid 140 and name HE1) (resid 140 and name HG2) 2.974 1.106 1.106 weight 1.000 ! spec=HCH, no=5526, id=8326, vol=1.850000e+07
assign (resid 140 and name HE2) (resid 140 and name HG1) 2.672 0.892 0.892 weight 1.000 ! spec=HCH, no=5527, id=8327, vol=3.530000e+07
assign (resid 140 and name HG2) (resid 102 and name HZ) 3.735 1.744 1.744 weight 1.000 ! spec=HCH, no=5530, id=8330, vol=4.720000e+06
assign (resid 140 and name HG1) (resid 102 and name HZ) 3.793 1.798 1.798 weight 1.000 ! spec=HCH, no=5532, id=8332, vol=4.310000e+06
assign (resid 140 and name HG1) (resid 115 and name HH2) 3.997 1.997 1.997 weight 1.000 ! spec=HCH, no=5535, id=8335, vol=3.150000e+06
assign (resid 140 and name HG2) (resid 115 and name HZ3) 3.424 1.465 1.465 weight 1.000 ! spec=HCH, no=5536, id=8336, vol=7.960000e+06
assign (resid 140 and name HG1) (resid 115 and name HZ3) 3.387 1.434 1.434 weight 1.000 ! spec=HCH, no=5537, id=8337, vol=8.490000e+06
assign (resid 140 and name HG2) (resid 139 and name HA) 3.728 1.737 1.737 weight 1.000 ! spec=HCH, no=5538, id=8338, vol=4.780000e+06
assign (resid 140 and name HG1) (resid 139 and name HA) 3.611 1.630 1.630 weight 1.000 ! spec=HCH, no=5539, id=8339, vol=5.780000e+06
assign (resid 140 and name HG1) (resid 140 and name HA) 3.086 1.191 1.191 weight 1.000 ! spec=HCH, no=5543, id=8343, vol=1.480000e+07
assign (resid 140 and name HG1) (resid 140 and name HG2) 2.295 0.658 0.658 weight 1.000 ! spec=HCH, no=5546, id=8346, vol=8.770000e+07
assign (resid 141 and name HA2) (resid 127 and name HG21) 3.702 1.713 1.713 weight 1.000 ! spec=HCH, no=5547, id=8347, vol=4.980000e+06
    or (resid 141 and name HA2) (resid 127 and name HG22)
    or (resid 141 and name HA2) (resid 127 and name HG23)
assign (resid 141 and name HA2) (resid 140 and name HA) 3.572 1.594 1.594 weight 1.000 ! spec=HCH, no=5554, id=8354, vol=6.180000e+06
assign (resid 141 and name HA1) (resid 141 and name HA2) 2.248 0.631 0.631 weight 1.000 ! spec=HCH, no=5559, id=8358, vol=9.950000e+07
assign (resid 141 and name HA2) (resid 142 and name HA) 3.593 1.614 1.614 weight 1.000 ! spec=HCH, no=5562, id=8361, vol=5.960000e+06
assign (resid 142 and name HA) (resid 142 and name HB2) 2.250 0.633 0.633 weight 1.000 ! spec=HCH, no=5569, id=8367, vol=9.890000e+07
assign (resid 142 and name HD22) (resid 142 and name HB2) 2.781 0.967 0.967 weight 1.000 ! spec=HCH, no=5578, id=8376, vol=2.770000e+07
assign (resid 144 and name HN) (resid 142 and name HB2) 2.842 1.010 1.010 weight 1.000 ! spec=HCH, no=5581, id=8378, vol=2.430000e+07
assign (resid 143 and name HA) (resid 142 and name HD21) 2.904 1.054 1.054 weight 1.000 ! spec=HCH, no=5588, id=8385, vol=2.140000e+07
assign (resid 143 and name HN) (resid 143 and name HA) 2.645 0.875 0.875 weight 1.000 ! spec=HCH, no=5589, id=8386, vol=3.740000e+07
assign (resid 143 and name HA) (resid 143 and name HB2) 2.832 1.003 1.003 weight 1.000 ! spec=HCH, no=5591, id=8387, vol=2.490000e+07
assign (resid 143 and name HA) (resid 143 and name HB1) 2.653 0.880 0.880 weight 1.000 ! spec=HCH, no=5592, id=8388, vol=3.680000e+07
assign (resid 143 and name HB2) (resid 142 and name HA) 3.609 1.628 1.628 weight 1.000 ! spec=HCH, no=5600, id=8396, vol=5.800000e+06
assign (resid 143 and name HB1) (resid 142 and name HA) 3.787 1.793 1.793 weight 1.000 ! spec=HCH, no=5601, id=8397, vol=4.340000e+06
assign (resid 143 and name HB1) (resid 143 and name HB2) 2.162 0.585 0.585 weight 1.000 ! spec=HCH, no=5606, id=8402, vol=1.250000e+08
assign (resid 144 and name HN) (resid 143 and name HB2) 3.244 1.316 1.316 weight 1.000 ! spec=HCH, no=5608, id=8404, vol=1.100000e+07
assign (resid 144 and name HA) (resid 144 and name HB2) 2.455 0.753 0.753 weight 1.000 ! spec=HCH, no=5611, id=8407, vol=5.860000e+07
assign (resid 144 and name HA) (resid 144 and name HB1) 2.346 0.688 0.688 weight 1.000 ! spec=HCH, no=5612, id=8408, vol=7.700000e+07
assign (resid 144 and name HA) (resid 144 and name HG2) 2.448 0.749 0.749 weight 1.000 ! spec=HCH, no=5613, id=8409, vol=5.960000e+07
assign (resid 145 and name HN) (resid 144 and name HA) 2.138 0.571 0.571 weight 1.000 ! spec=HCH, no=5614, id=8410, vol=1.340000e+08
assign (resid 142 and name HB2) (resid 144 and name HB2) 3.747 1.755 1.755 weight 1.000 ! spec=HCH, no=5616, id=8412, vol=4.640000e+06
    or (resid 144 and name HB2) (resid 142 and name HB1)
assign (resid 144 and name HB2) (resid 145 and name HG12) 3.751 1.758 1.758 weight 1.000 ! spec=HCH, no=5617, id=8413, vol=4.610000e+06
    or (resid 144 and name HB2) (resid 145 and name HG11)
    or (resid 144 and name HB2) (resid 145 and name HG13)
assign (resid 144 and name HB1) (resid 142 and name HB2) 3.936 1.937 1.937 weight 1.000 ! spec=HCH, no=5622, id=8417, vol=3.450000e+06
    or (resid 144 and name HB1) (resid 142 and name HB1)
assign (resid 144 and name HB1) (resid 145 and name HG12) 3.616 1.634 1.634 weight 1.000 ! spec=HCH, no=5623, id=8418, vol=5.740000e+06
    or (resid 144 and name HB1) (resid 145 and name HG11)
    or (resid 144 and name HB1) (resid 145 and name HG13)
assign (resid 144 and name HB1) (resid 144 and name HN) 2.683 0.900 0.900 weight 1.000 ! spec=HCH, no=5625, id=8420, vol=3.440000e+07
assign (resid 144 and name HB2) (resid 144 and name HB1) 1.901 0.452 0.452 weight 1.000 ! spec=HCH, no=5628, id=8423, vol=2.720000e+08
assign (resid 144 and name HB2) (resid 144 and name HG2) 2.132 0.568 0.568 weight 1.000 ! spec=HCH, no=5630, id=8424, vol=1.370000e+08
assign (resid 145 and name HN) (resid 144 and name HB1) 3.345 1.398 1.398 weight 1.000 ! spec=HCH, no=5633, id=8427, vol=9.160000e+06
assign (resid 144 and name HG2) (resid 48 and name HA) 3.703 1.714 1.714 weight 1.000 ! spec=HCH, no=5635, id=8429, vol=4.970000e+06
assign (resid 144 and name HG2) (resid 142 and name HA) 3.948 1.948 1.948 weight 1.000 ! spec=HCH, no=5640, id=8434, vol=3.390000e+06
assign (resid 142 and name HD21) (resid 144 and name HG2) 3.763 1.770 1.770 weight 1.000 ! spec=HCH, no=5641, id=8435, vol=4.520000e+06
assign (resid 142 and name HD22) (resid 144 and name HG2) 3.585 1.607 1.607 weight 1.000 ! spec=HCH, no=5642, id=8436, vol=6.040000e+06
assign (resid 142 and name HB2) (resid 144 and name HG2) 2.861 1.023 1.023 weight 1.000 ! spec=HCH, no=5643, id=8437, vol=2.340000e+07
assign (resid 145 and name HA) (resid 145 and name HB) 2.279 0.649 0.649 weight 1.000 ! spec=HCH, no=5655, id=8448, vol=9.160000e+07
assign (resid 145 and name HA) (resid 145 and name HG12) 2.606 0.849 0.849 weight 1.000 ! spec=HCH, no=5656, id=8449, vol=4.090000e+07
    or (resid 145 and name HA) (resid 145 and name HG11)
    or (resid 145 and name HA) (resid 145 and name HG13)
assign (resid 145 and name HA) (resid 146 and name HA) 3.586 1.608 1.608 weight 1.000 ! spec=HCH, no=5659, id=8452, vol=6.030000e+06
assign (resid 145 and name HA) (resid 147 and name HB2) 4.037 2.037 2.037 weight 1.000 ! spec=HCH, no=5661, id=8454, vol=2.960000e+06
assign (resid 145 and name HB) (resid 145 and name HN) 3.048 1.162 1.162 weight 1.000 ! spec=HCH, no=5664, id=8457, vol=1.600000e+07
assign (resid 145 and name HB) (resid 146 and name HN) 3.291 1.354 1.354 weight 1.000 ! spec=HCH, no=5669, id=8461, vol=1.010000e+07
assign (resid 145 and name HG12) (resid 143 and name HA) 2.844 1.011 1.011 weight 1.000 ! spec=HCH, no=5674, id=8466, vol=2.420000e+07
    or (resid 145 and name HG11) (resid 143 and name HA)
    or (resid 145 and name HG13) (resid 143 and name HA)
assign (resid 144 and name HN) (resid 145 and name HG12) 2.850 1.015 1.015 weight 1.000 ! spec=HCH, no=5680, id=8472, vol=2.390000e+07
    or (resid 144 and name HN) (resid 145 and name HG11)
    or (resid 144 and name HN) (resid 145 and name HG13)
assign (resid 145 and name HN) (resid 145 and name HG12) 2.117 0.560 0.560 weight 1.000 ! spec=HCH, no=5681, id=8473, vol=1.420000e+08
    or (resid 145 and name HN) (resid 145 and name HG11)
    or (resid 145 and name HN) (resid 145 and name HG13)
assign (resid 145 and name HB) (resid 145 and name HG12) 2.073 0.537 0.537 weight 1.000 ! spec=HCH, no=5682, id=8474, vol=1.610000e+08
    or (resid 145 and name HB) (resid 145 and name HG11)
    or (resid 145 and name HB) (resid 145 and name HG13)
assign (resid 145 and name HG22) (resid 143 and name HN) 3.765 1.772 1.772 weight 1.000 ! spec=HCH, no=5700, id=8492, vol=4.500000e+06
    or (resid 145 and name HG21) (resid 143 and name HN)
    or (resid 145 and name HG23) (resid 143 and name HN)
assign (resid 145 and name HG22) (resid 143 and name HA) 2.945 1.084 1.084 weight 1.000 ! spec=HCH, no=5701, id=8493, vol=1.960000e+07
    or (resid 145 and name HG21) (resid 143 and name HA)
    or (resid 145 and name HG23) (resid 143 and name HA)
assign (resid 145 and name HG22) (resid 143 and name HB2) 3.217 1.294 1.294 weight 1.000 ! spec=HCH, no=5702, id=8494, vol=1.160000e+07
    or (resid 145 and name HG21) (resid 143 and name HB2)
    or (resid 145 and name HG23) (resid 143 and name HB2)
assign (resid 145 and name HG22) (resid 143 and name HB1) 3.210 1.288 1.288 weight 1.000 ! spec=HCH, no=5703, id=8495, vol=1.170000e+07
    or (resid 145 and name HG21) (resid 143 and name HB1)
    or (resid 145 and name HG23) (resid 143 and name HB1)
assign (resid 144 and name HN) (resid 145 and name HG22) 2.959 1.095 1.095 weight 1.000 ! spec=HCH, no=5704, id=8496, vol=1.910000e+07
    or (resid 144 and name HN) (resid 145 and name HG21)
    or (resid 144 and name HN) (resid 145 and name HG23)
assign (resid 145 and name HN) (resid 145 and name HG22) 2.367 0.701 0.701 weight 1.000 ! spec=HCH, no=5706, id=8498, vol=7.280000e+07
    or (resid 145 and name HN) (resid 145 and name HG21)
    or (resid 145 and name HN) (resid 145 and name HG23)
assign (resid 145 and name HB) (resid 145 and name HG22) 2.030 0.515 0.515 weight 1.000 ! spec=HCH, no=5708, id=8500, vol=1.830000e+08
    or (resid 145 and name HB) (resid 145 and name HG21)
    or (resid 145 and name HB) (resid 145 and name HG23)
assign (resid 145 and name HG12) (resid 145 and name HG22) 1.854 0.430 0.430 weight 1.000 ! spec=HCH, no=5709, id=8501, vol=3.160000e+08
    or (resid 145 and name HG12) (resid 145 and name HG21)
    or (resid 145 and name HG12) (resid 145 and name HG23)
    or (resid 145 and name HG11) (resid 145 and name HG22)
    or (resid 145 and name HG11) (resid 145 and name HG21)
    or (resid 145 and name HG11) (resid 145 and name HG23)
    or (resid 145 and name HG13) (resid 145 and name HG22)
    or (resid 145 and name HG13) (resid 145 and name HG21)
    or (resid 145 and name HG13) (resid 145 and name HG23)
assign (resid 145 and name HG22) (resid 145 and name HG21) 1.158 0.168 0.168 weight 1.000 ! spec=HCH, no=5710, id=8502, vol=5.320000e+09
    or (resid 145 and name HG22) (resid 145 and name HG23)
    or (resid 145 and name HG22) (resid 145 and name HG21)
    or (resid 145 and name HG21) (resid 145 and name HG23)
    or (resid 145 and name HG22) (resid 145 and name HG23)
    or (resid 145 and name HG21) (resid 145 and name HG23)
assign (resid 145 and name HG22) (resid 147 and name HA) 3.070 1.178 1.178 weight 1.000 ! spec=HCH, no=5713, id=8505, vol=1.530000e+07
    or (resid 145 and name HG21) (resid 147 and name HA)
    or (resid 145 and name HG23) (resid 147 and name HA)
assign (resid 146 and name HA) (resid 46 and name HG12) 3.071 1.179 1.179 weight 1.000 ! spec=HCH, no=5715, id=8507, vol=1.530000e+07
    or (resid 146 and name HA) (resid 46 and name HG11)
    or (resid 146 and name HA) (resid 46 and name HG13)
assign (resid 146 and name HA) (resid 46 and name HG22) 2.915 1.062 1.062 weight 1.000 ! spec=HCH, no=5716, id=8508, vol=2.090000e+07
    or (resid 146 and name HA) (resid 46 and name HG21)
    or (resid 146 and name HA) (resid 46 and name HG23)
assign (resid 146 and name HA) (resid 146 and name HB2) 2.241 0.628 0.628 weight 1.000 ! spec=HCH, no=5723, id=8514, vol=1.010000e+08
assign (resid 146 and name HA) (resid 147 and name HN) 2.905 1.055 1.055 weight 1.000 ! spec=HCH, no=5724, id=8515, vol=2.130000e+07
assign (resid 146 and name HB2) (resid 147 and name HN) 3.236 1.309 1.309 weight 1.000 ! spec=HCH, no=5725, id=8516, vol=1.120000e+07
assign (resid 146 and name HB1) (resid 146 and name HA) 2.227 0.620 0.620 weight 1.000 ! spec=HCH, no=5732, id=8523, vol=1.050000e+08
assign (resid 148 and name HN) (resid 147 and name HA) 2.278 0.649 0.649 weight 1.000 ! spec=HCH, no=5740, id=8528, vol=9.180000e+07
assign (resid 147 and name HA) (resid 147 and name HN) 2.796 0.977 0.977 weight 1.000 ! spec=HCH, no=5742, id=8530, vol=2.690000e+07
assign (resid 147 and name HA) (resid 147 and name HB2) 2.262 0.639 0.639 weight 1.000 ! spec=HCH, no=5744, id=8531, vol=9.580000e+07
assign (resid 147 and name HB2) (resid 146 and name HN) 3.631 1.648 1.648 weight 1.000 ! spec=HCH, no=5745, id=8532, vol=5.590000e+06
assign (resid 147 and name HB2) (resid 147 and name HN) 2.551 0.814 0.814 weight 1.000 ! spec=HCH, no=5759, id=8546, vol=4.650000e+07
assign (resid 148 and name HA) (resid 150 and name HN) 3.127 1.222 1.222 weight 1.000 ! spec=HCH, no=5765, id=8552, vol=1.370000e+07
assign (resid 148 and name HA) (resid 148 and name HB) 2.431 0.739 0.739 weight 1.000 ! spec=HCH, no=5766, id=8553, vol=6.210000e+07
assign (resid 148 and name HA) (resid 148 and name HN) 2.781 0.966 0.966 weight 1.000 ! spec=HCH, no=5768, id=8555, vol=2.770000e+07
assign (resid 148 and name HA) (resid 149 and name HB2) 3.179 1.264 1.264 weight 1.000 ! spec=HCH, no=5772, id=8558, vol=1.240000e+07
assign (resid 148 and name HB) (resid 46 and name HG22) 2.833 1.003 1.003 weight 1.000 ! spec=HCH, no=5776, id=8562, vol=2.480000e+07
    or (resid 148 and name HB) (resid 46 and name HG21)
    or (resid 148 and name HB) (resid 46 and name HG23)
assign (resid 148 and name HG12) (resid 55 and name HE22) 3.673 1.686 1.686 weight 1.000 ! spec=HCH, no=5784, id=8569, vol=5.220000e+06
    or (resid 148 and name HG11) (resid 55 and name HE22)
    or (resid 148 and name HG13) (resid 55 and name HE22)
assign (resid 148 and name HB) (resid 148 and name HG12) 2.051 0.526 0.526 weight 1.000 ! spec=HCH, no=5791, id=8574, vol=1.720000e+08
    or (resid 148 and name HB) (resid 148 and name HG11)
    or (resid 148 and name HB) (resid 148 and name HG13)
assign (resid 148 and name HG12) (resid 148 and name HA) 2.332 0.680 0.680 weight 1.000 ! spec=HCH, no=5798, id=8579, vol=7.970000e+07
    or (resid 148 and name HG11) (resid 148 and name HA)
    or (resid 148 and name HG13) (resid 148 and name HA)
assign (resid 149 and name HN) (resid 148 and name HG12) 2.853 1.018 1.018 weight 1.000 ! spec=HCH, no=5799, id=8580, vol=2.380000e+07
    or (resid 149 and name HN) (resid 148 and name HG11)
    or (resid 149 and name HN) (resid 148 and name HG13)
assign (resid 148 and name HG12) (resid 150 and name HN) 2.835 1.004 1.004 weight 1.000 ! spec=HCH, no=5801, id=8582, vol=2.470000e+07
    or (resid 148 and name HG11) (resid 150 and name HN)
    or (resid 148 and name HG13) (resid 150 and name HN)
assign (resid 148 and name HG22) (resid 147 and name HN) 3.106 1.206 1.206 weight 1.000 ! spec=HCH, no=5802, id=8583, vol=1.430000e+07
    or (resid 148 and name HG21) (resid 147 and name HN)
    or (resid 148 and name HG23) (resid 147 and name HN)
assign (resid 148 and name HG22) (resid 148 and name HG21) 1.171 0.171 0.171 weight 1.000 ! spec=HCH, no=5803, id=8584, vol=4.980000e+09
    or (resid 148 and name HG22) (resid 148 and name HG23)
    or (resid 148 and name HG22) (resid 148 and name HG21)
    or (resid 148 and name HG21) (resid 148 and name HG23)
    or (resid 148 and name HG22) (resid 148 and name HG23)
    or (resid 148 and name HG21) (resid 148 and name HG23)
assign (resid 148 and name HB) (resid 148 and name HG22) 1.999 0.500 0.500 weight 1.000 ! spec=HCH, no=5806, id=8587, vol=2.010000e+08
    or (resid 148 and name HB) (resid 148 and name HG21)
    or (resid 148 and name HB) (resid 148 and name HG23)
assign (resid 148 and name HG22) (resid 146 and name HA) 2.917 1.063 1.063 weight 1.000 ! spec=HCH, no=5811, id=8592, vol=2.080000e+07
    or (resid 148 and name HG21) (resid 146 and name HA)
    or (resid 148 and name HG23) (resid 146 and name HA)
assign (resid 148 and name HG22) (resid 147 and name HB2) 3.101 1.202 1.202 weight 1.000 ! spec=HCH, no=5813, id=8594, vol=1.440000e+07
    or (resid 148 and name HG21) (resid 147 and name HB2)
    or (resid 148 and name HG23) (resid 147 and name HB2)
assign (resid 148 and name HG22) (resid 148 and name HN) 2.613 0.853 0.853 weight 1.000 ! spec=HCH, no=5814, id=8595, vol=4.030000e+07
    or (resid 148 and name HG21) (resid 148 and name HN)
    or (resid 148 and name HG23) (resid 148 and name HN)
assign (resid 148 and name HA) (resid 148 and name HG22) 2.169 0.588 0.588 weight 1.000 ! spec=HCH, no=5815, id=8596, vol=1.230000e+08
    or (resid 148 and name HA) (resid 148 and name HG21)
    or (resid 148 and name HA) (resid 148 and name HG23)
assign (resid 149 and name HA) (resid 149 and name HB2) 2.628 0.863 0.863 weight 1.000 ! spec=HCH, no=5818, id=8599, vol=3.900000e+07
assign (resid 149 and name HA) (resid 43 and name HB2) 2.692 0.906 0.906 weight 1.000 ! spec=HCH, no=5821, id=8602, vol=3.370000e+07
    or (resid 149 and name HA) (resid 43 and name HB1)
    or (resid 149 and name HA) (resid 43 and name HB3)
assign (resid 149 and name HA) (resid 149 and name HB1) 2.369 0.701 0.701 weight 1.000 ! spec=HCH, no=5822, id=8603, vol=7.260000e+07
assign (resid 149 and name HA) (resid 44 and name HN) 3.274 1.340 1.340 weight 1.000 ! spec=HCH, no=5826, id=8607, vol=1.040000e+07
assign (resid 149 and name HA) (resid 149 and name HN) 2.674 0.894 0.894 weight 1.000 ! spec=HCH, no=5827, id=8608, vol=3.510000e+07
assign (resid 149 and name HA) (resid 149 and name HG1) 2.619 0.857 0.857 weight 1.000 ! spec=HCH, no=5829, id=8609, vol=3.970000e+07
assign (resid 149 and name HA) (resid 150 and name HA1) 3.325 1.382 1.382 weight 1.000 ! spec=HCH, no=5831, id=8611, vol=9.480000e+06
assign (resid 149 and name HB2) (resid 149 and name HB1) 1.871 0.438 0.438 weight 1.000 ! spec=HCH, no=5833, id=8613, vol=2.990000e+08
assign (resid 42 and name HN) (resid 149 and name HB1) 3.342 1.396 1.396 weight 1.000 ! spec=HCH, no=5838, id=8618, vol=9.200000e+06
assign (resid 149 and name HB1) (resid 43 and name HA) 3.285 1.349 1.349 weight 1.000 ! spec=HCH, no=5841, id=8621, vol=1.020000e+07
assign (resid 149 and name HB1) (resid 43 and name HB2) 3.080 1.186 1.186 weight 1.000 ! spec=HCH, no=5846, id=8626, vol=1.500000e+07
    or (resid 149 and name HB1) (resid 43 and name HB1)
    or (resid 149 and name HB1) (resid 43 and name HB3)
assign (resid 149 and name HG1) (resid 43 and name HA) 2.697 0.909 0.909 weight 1.000 ! spec=HCH, no=5851, id=8631, vol=3.330000e+07
assign (resid 149 and name HG1) (resid 147 and name HA) 3.583 1.605 1.605 weight 1.000 ! spec=HCH, no=5853, id=8633, vol=6.060000e+06
assign (resid 149 and name HG1) (resid 148 and name HN) 3.170 1.256 1.256 weight 1.000 ! spec=HCH, no=5854, id=8634, vol=1.260000e+07
assign (resid 148 and name HG12) (resid 149 and name HG1) 3.561 1.585 1.585 weight 1.000 ! spec=HCH, no=5855, id=8635, vol=6.290000e+06
    or (resid 148 and name HG11) (resid 149 and name HG1)
    or (resid 148 and name HG13) (resid 149 and name HG1)
assign (resid 149 and name HG2) (resid 149 and name HN) 3.096 1.198 1.198 weight 1.000 ! spec=HCH, no=5856, id=8636, vol=1.460000e+07
assign (resid 150 and name HA1) (resid 39 and name HZ) 2.914 1.062 1.062 weight 1.000 ! spec=HCH, no=5861, id=8641, vol=2.090000e+07
assign (resid 151 and name HA) (resid 151 and name HB) 3.046 1.160 1.160 weight 1.000 ! spec=HCH, no=5873, id=8651, vol=1.610000e+07
assign (resid 151 and name HA) (resid 151 and name HG21) 2.490 0.775 0.775 weight 1.000 ! spec=HCH, no=5874, id=8652, vol=5.380000e+07
    or (resid 151 and name HA) (resid 151 and name HG22)
    or (resid 151 and name HA) (resid 151 and name HG23)
assign (resid 152 and name HN) (resid 151 and name HA) 2.316 0.670 0.670 weight 1.000 ! spec=HCH, no=5875, id=8653, vol=8.320000e+07
assign (resid 151 and name HB) (resid 90 and name HB2) 2.826 0.998 0.998 weight 1.000 ! spec=HCH, no=5877, id=8655, vol=2.520000e+07
assign (resid 152 and name HN) (resid 151 and name HB) 3.170 1.256 1.256 weight 1.000 ! spec=HCH, no=5881, id=8659, vol=1.260000e+07
assign (resid 151 and name HB) (resid 90 and name HD22) 3.939 1.939 1.939 weight 1.000 ! spec=HCH, no=5888, id=8666, vol=3.430000e+06
    or (resid 151 and name HB) (resid 90 and name HD21)
    or (resid 151 and name HB) (resid 90 and name HD23)
assign (resid 151 and name HB) (resid 55 and name HB2) 3.725 1.734 1.734 weight 1.000 ! spec=HCH, no=5889, id=8667, vol=4.800000e+06
assign (resid 151 and name HG21) (resid 63 and name HG2) 2.770 0.959 0.959 weight 1.000 ! spec=HCH, no=5895, id=8672, vol=2.840000e+07
    or (resid 151 and name HG22) (resid 63 and name HG2)
    or (resid 151 and name HG23) (resid 63 and name HG2)
assign (resid 151 and name HG21) (resid 40 and name HD12) 3.276 1.342 1.342 weight 1.000 ! spec=HCH, no=5902, id=8679, vol=1.040000e+07
    or (resid 151 and name HG21) (resid 40 and name HD11)
    or (resid 151 and name HG21) (resid 40 and name HD13)
    or (resid 151 and name HG22) (resid 40 and name HD12)
    or (resid 151 and name HG22) (resid 40 and name HD11)
    or (resid 151 and name HG22) (resid 40 and name HD13)
    or (resid 151 and name HG23) (resid 40 and name HD12)
    or (resid 151 and name HG23) (resid 40 and name HD11)
    or (resid 151 and name HG23) (resid 40 and name HD13)
assign (resid 151 and name HG21) (resid 40 and name HD22) 2.575 0.829 0.829 weight 1.000 ! spec=HCH, no=5903, id=8680, vol=4.390000e+07
    or (resid 151 and name HG21) (resid 40 and name HD21)
    or (resid 151 and name HG21) (resid 40 and name HD23)
    or (resid 151 and name HG22) (resid 40 and name HD22)
    or (resid 151 and name HG22) (resid 40 and name HD21)
    or (resid 151 and name HG22) (resid 40 and name HD23)
    or (resid 151 and name HG23) (resid 40 and name HD22)
    or (resid 151 and name HG23) (resid 40 and name HD21)
    or (resid 151 and name HG23) (resid 40 and name HD23)
assign (resid 151 and name HG21) (resid 150 and name HA2) 3.142 1.234 1.234 weight 1.000 ! spec=HCH, no=5906, id=8683, vol=1.330000e+07
    or (resid 151 and name HG22) (resid 150 and name HA2)
    or (resid 151 and name HG23) (resid 150 and name HA2)
assign (resid 151 and name HG21) (resid 151 and name HN) 2.867 1.028 1.028 weight 1.000 ! spec=HCH, no=5907, id=8684, vol=2.310000e+07
    or (resid 151 and name HG22) (resid 151 and name HN)
    or (resid 151 and name HG23) (resid 151 and name HN)
assign (resid 151 and name HB) (resid 151 and name HG21) 2.220 0.616 0.616 weight 1.000 ! spec=HCH, no=5908, id=8685, vol=1.070000e+08
    or (resid 151 and name HB) (resid 151 and name HG22)
    or (resid 151 and name HB) (resid 151 and name HG23)
assign (resid 151 and name HG21) (resid 152 and name HA) 3.357 1.409 1.409 weight 1.000 ! spec=HCH, no=5910, id=8687, vol=8.960000e+06
    or (resid 151 and name HG22) (resid 152 and name HA)
    or (resid 151 and name HG23) (resid 152 and name HA)
assign (resid 151 and name HG21) (resid 153 and name HA) 3.742 1.751 1.751 weight 1.000 ! spec=HCH, no=5911, id=8688, vol=4.670000e+06
    or (resid 151 and name HG22) (resid 153 and name HA)
    or (resid 151 and name HG23) (resid 153 and name HA)
assign (resid 152 and name HA) (resid 152 and name HG) 3.106 1.206 1.206 weight 1.000 ! spec=HCH, no=5916, id=8693, vol=1.430000e+07
assign (resid 151 and name HA) (resid 152 and name HA) 3.423 1.464 1.464 weight 1.000 ! spec=HCH, no=5920, id=8697, vol=7.980000e+06
assign (resid 152 and name HA) (resid 152 and name HB2) 2.821 0.995 0.995 weight 1.000 ! spec=HCH, no=5922, id=8698, vol=2.540000e+07
assign (resid 152 and name HA) (resid 152 and name HB1) 2.992 1.119 1.119 weight 1.000 ! spec=HCH, no=5923, id=8699, vol=1.790000e+07
assign (resid 153 and name HN) (resid 152 and name HA) 2.326 0.676 0.676 weight 1.000 ! spec=HCH, no=5925, id=8701, vol=8.100000e+07
assign (resid 152 and name HA) (resid 153 and name HA) 3.587 1.609 1.609 weight 1.000 ! spec=HCH, no=5926, id=8702, vol=6.020000e+06
assign (resid 152 and name HB2) (resid 64 and name HG22) 2.810 0.987 0.987 weight 1.000 ! spec=HCH, no=5928, id=8704, vol=2.600000e+07
    or (resid 152 and name HB2) (resid 64 and name HG21)
    or (resid 152 and name HB2) (resid 64 and name HG23)
assign (resid 152 and name HB1) (resid 39 and name HD1) 3.787 1.793 1.793 weight 1.000 ! spec=HCH, no=5932, id=8708, vol=4.350000e+06
    or (resid 152 and name HB1) (resid 39 and name HD2)
assign (resid 64 and name HG22) (resid 152 and name HB1) 2.707 0.916 0.916 weight 1.000 ! spec=HCH, no=5933, id=8709, vol=3.260000e+07
    or (resid 64 and name HG21) (resid 152 and name HB1)
    or (resid 64 and name HG23) (resid 152 and name HB1)
assign (resid 152 and name HB1) (resid 151 and name HA) 3.428 1.469 1.469 weight 1.000 ! spec=HCH, no=5936, id=8712, vol=7.900000e+06
assign (resid 152 and name HB1) (resid 64 and name HN) 3.854 1.857 1.857 weight 1.000 ! spec=HCH, no=5937, id=8713, vol=3.910000e+06
assign (resid 152 and name HB2) (resid 89 and name HA) 3.800 1.805 1.805 weight 1.000 ! spec=HCH, no=5941, id=8717, vol=4.260000e+06
assign (resid 152 and name HB1) (resid 152 and name HB2) 2.344 0.687 0.687 weight 1.000 ! spec=HCH, no=5944, id=8720, vol=7.730000e+07
assign (resid 152 and name HB2) (resid 153 and name HA) 4.127 2.129 2.129 weight 1.000 ! spec=HCH, no=5949, id=8724, vol=2.600000e+06
assign (resid 37 and name HB2) (resid 152 and name HD12) 2.873 1.032 1.032 weight 1.000 ! spec=HCH, no=5959, id=8734, vol=2.280000e+07
    or (resid 37 and name HB2) (resid 152 and name HD11)
    or (resid 37 and name HB2) (resid 152 and name HD13)
assign (resid 78 and name HG21) (resid 152 and name HD12) 3.155 1.244 1.244 weight 1.000 ! spec=HCH, no=5960, id=8735, vol=1.300000e+07
    or (resid 78 and name HG21) (resid 152 and name HD11)
    or (resid 78 and name HG21) (resid 152 and name HD13)
    or (resid 78 and name HG22) (resid 152 and name HD12)
    or (resid 78 and name HG22) (resid 152 and name HD11)
    or (resid 78 and name HG22) (resid 152 and name HD13)
    or (resid 78 and name HG23) (resid 152 and name HD12)
    or (resid 78 and name HG23) (resid 152 and name HD11)
    or (resid 78 and name HG23) (resid 152 and name HD13)
assign (resid 37 and name HB1) (resid 152 and name HD12) 3.060 1.171 1.171 weight 1.000 ! spec=HCH, no=5962, id=8737, vol=1.560000e+07
    or (resid 37 and name HB1) (resid 152 and name HD11)
    or (resid 37 and name HB1) (resid 152 and name HD13)
assign (resid 152 and name HD12) (resid 78 and name HN) 3.998 1.998 1.998 weight 1.000 ! spec=HCH, no=5963, id=8738, vol=3.140000e+06
    or (resid 152 and name HD11) (resid 78 and name HN)
    or (resid 152 and name HD13) (resid 78 and name HN)
assign (resid 38 and name HN) (resid 152 and name HD12) 3.049 1.162 1.162 weight 1.000 ! spec=HCH, no=5965, id=8740, vol=1.600000e+07
    or (resid 38 and name HN) (resid 152 and name HD11)
    or (resid 38 and name HN) (resid 152 and name HD13)
assign (resid 152 and name HD12) (resid 154 and name HN) 3.870 1.872 1.872 weight 1.000 ! spec=HCH, no=5969, id=8744, vol=3.820000e+06
    or (resid 152 and name HD11) (resid 154 and name HN)
    or (resid 152 and name HD13) (resid 154 and name HN)
assign (resid 152 and name HD12) (resid 154 and name HA) 3.599 1.619 1.619 weight 1.000 ! spec=HCH, no=5972, id=8747, vol=5.900000e+06
    or (resid 152 and name HD11) (resid 154 and name HA)
    or (resid 152 and name HD13) (resid 154 and name HA)
assign (resid 152 and name HD12) (resid 74 and name HE1) 3.991 1.991 1.991 weight 1.000 ! spec=HCH, no=5973, id=8748, vol=3.170000e+06
    or (resid 152 and name HD11) (resid 74 and name HE1)
    or (resid 152 and name HD13) (resid 74 and name HE1)
assign (resid 152 and name HD12) (resid 38 and name HA) 3.210 1.288 1.288 weight 1.000 ! spec=HCH, no=5976, id=8751, vol=1.170000e+07
    or (resid 152 and name HD11) (resid 38 and name HA)
    or (resid 152 and name HD13) (resid 38 and name HA)
assign (resid 152 and name HD12) (resid 39 and name HD1) 2.596 0.842 0.842 weight 1.000 ! spec=HCH, no=5978, id=8753, vol=4.190000e+07
    or (resid 152 and name HD11) (resid 39 and name HD1)
    or (resid 152 and name HD13) (resid 39 and name HD1)
assign (resid 152 and name HD12) (resid 79 and name HA) 3.615 1.634 1.634 weight 1.000 ! spec=HCH, no=5979, id=8754, vol=5.740000e+06
    or (resid 152 and name HD11) (resid 79 and name HA)
    or (resid 152 and name HD13) (resid 79 and name HA)
assign (resid 152 and name HD12) (resid 83 and name HE1) 4.054 2.054 2.054 weight 1.000 ! spec=HCH, no=5981, id=8756, vol=2.890000e+06
    or (resid 152 and name HD11) (resid 83 and name HE1)
    or (resid 152 and name HD13) (resid 83 and name HE1)
assign (resid 152 and name HA) (resid 152 and name HD12) 2.434 0.741 0.741 weight 1.000 ! spec=HCH, no=5984, id=8759, vol=6.160000e+07
    or (resid 152 and name HA) (resid 152 and name HD11)
    or (resid 152 and name HA) (resid 152 and name HD13)
assign (resid 152 and name HB2) (resid 152 and name HD12) 2.272 0.645 0.645 weight 1.000 ! spec=HCH, no=5985, id=8760, vol=9.320000e+07
    or (resid 152 and name HB2) (resid 152 and name HD11)
    or (resid 152 and name HB2) (resid 152 and name HD13)
assign (resid 152 and name HB1) (resid 152 and name HD12) 2.408 0.725 0.725 weight 1.000 ! spec=HCH, no=5986, id=8761, vol=6.580000e+07
    or (resid 152 and name HB1) (resid 152 and name HD11)
    or (resid 152 and name HB1) (resid 152 and name HD13)
assign (resid 152 and name HD12) (resid 152 and name HG) 2.229 0.621 0.621 weight 1.000 ! spec=HCH, no=5987, id=8762, vol=1.050000e+08
    or (resid 152 and name HD11) (resid 152 and name HG)
    or (resid 152 and name HD13) (resid 152 and name HG)
assign (resid 152 and name HD12) (resid 152 and name HD11) 1.215 0.184 0.184 weight 1.000 ! spec=HCH, no=5988, id=8763, vol=3.990000e+09
    or (resid 152 and name HD12) (resid 152 and name HD13)
    or (resid 152 and name HD12) (resid 152 and name HD11)
    or (resid 152 and name HD11) (resid 152 and name HD13)
    or (resid 152 and name HD12) (resid 152 and name HD13)
    or (resid 152 and name HD11) (resid 152 and name HD13)
assign (resid 152 and name HD12) (resid 153 and name HB2) 3.316 1.375 1.375 weight 1.000 ! spec=HCH, no=5989, id=8764, vol=9.640000e+06
    or (resid 152 and name HD11) (resid 153 and name HB2)
    or (resid 152 and name HD13) (resid 153 and name HB2)
assign (resid 152 and name HD22) (resid 75 and name HB) 3.036 1.152 1.152 weight 1.000 ! spec=HCH, no=5991, id=8766, vol=1.640000e+07
    or (resid 152 and name HD21) (resid 75 and name HB)
    or (resid 152 and name HD23) (resid 75 and name HB)
assign (resid 152 and name HD22) (resid 64 and name HA) 3.542 1.568 1.568 weight 1.000 ! spec=HCH, no=5992, id=8767, vol=6.500000e+06
    or (resid 152 and name HD21) (resid 64 and name HA)
    or (resid 152 and name HD23) (resid 64 and name HA)
assign (resid 152 and name HD22) (resid 152 and name HG) 2.341 0.685 0.685 weight 1.000 ! spec=HCH, no=5994, id=8769, vol=7.800000e+07
    or (resid 152 and name HD21) (resid 152 and name HG)
    or (resid 152 and name HD23) (resid 152 and name HG)
assign (resid 152 and name HD22) (resid 75 and name HN) 3.852 1.855 1.855 weight 1.000 ! spec=HCH, no=6004, id=8779, vol=3.920000e+06
    or (resid 152 and name HD21) (resid 75 and name HN)
    or (resid 152 and name HD23) (resid 75 and name HN)
assign (resid 152 and name HD22) (resid 153 and name HB2) 3.588 1.609 1.609 weight 1.000 ! spec=HCH, no=6010, id=8783, vol=6.010000e+06
    or (resid 152 and name HD21) (resid 153 and name HB2)
    or (resid 152 and name HD23) (resid 153 and name HB2)
assign (resid 78 and name HG21) (resid 152 and name HD22) 3.270 1.336 1.336 weight 1.000 ! spec=HCH, no=6011, id=8784, vol=1.050000e+07
    or (resid 78 and name HG21) (resid 152 and name HD21)
    or (resid 78 and name HG21) (resid 152 and name HD23)
    or (resid 78 and name HG22) (resid 152 and name HD22)
    or (resid 78 and name HG22) (resid 152 and name HD21)
    or (resid 78 and name HG22) (resid 152 and name HD23)
    or (resid 78 and name HG23) (resid 152 and name HD22)
    or (resid 78 and name HG23) (resid 152 and name HD21)
    or (resid 78 and name HG23) (resid 152 and name HD23)
assign (resid 152 and name HD22) (resid 74 and name HE1) 3.647 1.662 1.662 weight 1.000 ! spec=HCH, no=6012, id=8785, vol=5.450000e+06
    or (resid 152 and name HD21) (resid 74 and name HE1)
    or (resid 152 and name HD23) (resid 74 and name HE1)
assign (resid 152 and name HD22) (resid 78 and name HB) 3.401 1.446 1.446 weight 1.000 ! spec=HCH, no=6016, id=8789, vol=8.280000e+06
    or (resid 152 and name HD21) (resid 78 and name HB)
    or (resid 152 and name HD23) (resid 78 and name HB)
assign (resid 152 and name HD22) (resid 79 and name HA) 3.565 1.588 1.588 weight 1.000 ! spec=HCH, no=6017, id=8790, vol=6.250000e+06
    or (resid 152 and name HD21) (resid 79 and name HA)
    or (resid 152 and name HD23) (resid 79 and name HA)
assign (resid 152 and name HD22) (resid 152 and name HA) 2.725 0.928 0.928 weight 1.000 ! spec=HCH, no=6021, id=8794, vol=3.130000e+07
    or (resid 152 and name HD21) (resid 152 and name HA)
    or (resid 152 and name HD23) (resid 152 and name HA)
assign (resid 152 and name HD22) (resid 152 and name HB2) 2.384 0.710 0.710 weight 1.000 ! spec=HCH, no=6022, id=8795, vol=6.990000e+07
    or (resid 152 and name HD21) (resid 152 and name HB2)
    or (resid 152 and name HD23) (resid 152 and name HB2)
assign (resid 152 and name HD22) (resid 152 and name HB1) 2.320 0.673 0.673 weight 1.000 ! spec=HCH, no=6023, id=8796, vol=8.210000e+07
    or (resid 152 and name HD21) (resid 152 and name HB1)
    or (resid 152 and name HD23) (resid 152 and name HB1)
assign (resid 152 and name HD22) (resid 152 and name HD21) 1.259 0.198 0.198 weight 1.000 ! spec=HCH, no=6024, id=8797, vol=3.220000e+09
    or (resid 152 and name HD22) (resid 152 and name HD23)
    or (resid 152 and name HD22) (resid 152 and name HD21)
    or (resid 152 and name HD21) (resid 152 and name HD23)
    or (resid 152 and name HD22) (resid 152 and name HD23)
    or (resid 152 and name HD21) (resid 152 and name HD23)
assign (resid 152 and name HD22) (resid 153 and name HA) 3.742 1.750 1.750 weight 1.000 ! spec=HCH, no=6025, id=8798, vol=4.670000e+06
    or (resid 152 and name HD21) (resid 153 and name HA)
    or (resid 152 and name HD23) (resid 153 and name HA)
assign (resid 152 and name HG) (resid 39 and name HD1) 3.698 1.709 1.709 weight 1.000 ! spec=HCH, no=6026, id=8799, vol=5.020000e+06
    or (resid 152 and name HG) (resid 39 and name HD2)
assign (resid 152 and name HG) (resid 64 and name HG22) 2.768 0.957 0.957 weight 1.000 ! spec=HCH, no=6027, id=8800, vol=2.850000e+07
    or (resid 152 and name HG) (resid 64 and name HG21)
    or (resid 152 and name HG) (resid 64 and name HG23)
assign (resid 152 and name HG) (resid 78 and name HG21) 4.027 2.027 2.027 weight 1.000 ! spec=HCH, no=6031, id=8804, vol=3.010000e+06
    or (resid 152 and name HG) (resid 78 and name HG22)
    or (resid 152 and name HG) (resid 78 and name HG23)
assign (resid 153 and name HN) (resid 152 and name HG) 3.165 1.252 1.252 weight 1.000 ! spec=HCH, no=6032, id=8805, vol=1.280000e+07
assign (resid 152 and name HG) (resid 64 and name HA) 3.876 1.878 1.878 weight 1.000 ! spec=HCH, no=6034, id=8807, vol=3.780000e+06
assign (resid 152 and name HG) (resid 152 and name HB2) 2.385 0.711 0.711 weight 1.000 ! spec=HCH, no=6039, id=8812, vol=6.960000e+07
assign (resid 38 and name HG22) (resid 153 and name HA) 3.592 1.613 1.613 weight 1.000 ! spec=HCH, no=6044, id=8816, vol=5.970000e+06
    or (resid 38 and name HG21) (resid 153 and name HA)
    or (resid 38 and name HG23) (resid 153 and name HA)
assign (resid 152 and name HD12) (resid 153 and name HA) 3.630 1.647 1.647 weight 1.000 ! spec=HCH, no=6045, id=8817, vol=5.600000e+06
    or (resid 152 and name HD11) (resid 153 and name HA)
    or (resid 152 and name HD13) (resid 153 and name HA)
assign (resid 153 and name HA) (resid 153 and name HB2) 2.913 1.061 1.061 weight 1.000 ! spec=HCH, no=6047, id=8819, vol=2.100000e+07
assign (resid 153 and name HA) (resid 40 and name HD22) 4.049 2.049 2.049 weight 1.000 ! spec=HCH, no=6050, id=8822, vol=2.910000e+06
    or (resid 153 and name HA) (resid 40 and name HD21)
    or (resid 153 and name HA) (resid 40 and name HD23)
assign (resid 56 and name HB2) (resid 153 and name HA) 3.514 1.544 1.544 weight 1.000 ! spec=HCH, no=6052, id=8824, vol=6.810000e+06
assign (resid 62 and name HN) (resid 153 and name HA) 3.440 1.479 1.479 weight 1.000 ! spec=HCH, no=6053, id=8825, vol=7.730000e+06
assign (resid 153 and name HA) (resid 64 and name HA) 3.742 1.750 1.750 weight 1.000 ! spec=HCH, no=6055, id=8827, vol=4.670000e+06
assign (resid 153 and name HA) (resid 63 and name HB1) 3.365 1.416 1.416 weight 1.000 ! spec=HCH, no=6058, id=8830, vol=8.830000e+06
assign (resid 153 and name HA) (resid 153 and name HB1) 2.704 0.914 0.914 weight 1.000 ! spec=HCH, no=6061, id=8832, vol=3.280000e+07
assign (resid 153 and name HB1) (resid 59 and name HN) 3.945 1.946 1.946 weight 1.000 ! spec=HCH, no=6066, id=8837, vol=3.400000e+06
assign (resid 153 and name HB1) (resid 29 and name HZ3) 3.892 1.894 1.894 weight 1.000 ! spec=HCH, no=6067, id=8838, vol=3.690000e+06
assign (resid 153 and name HB2) (resid 56 and name HB2) 3.501 1.532 1.532 weight 1.000 ! spec=HCH, no=6071, id=8842, vol=6.970000e+06
assign (resid 153 and name HB1) (resid 56 and name HB2) 3.449 1.487 1.487 weight 1.000 ! spec=HCH, no=6072, id=8843, vol=7.610000e+06
assign (resid 153 and name HB2) (resid 152 and name HA) 3.880 1.882 1.882 weight 1.000 ! spec=HCH, no=6074, id=8845, vol=3.760000e+06
assign (resid 153 and name HB1) (resid 152 and name HD12) 4.131 2.133 2.133 weight 1.000 ! spec=HCH, no=6075, id=8846, vol=2.580000e+06
    or (resid 153 and name HB1) (resid 152 and name HD11)
    or (resid 153 and name HB1) (resid 152 and name HD13)
assign (resid 153 and name HB1) (resid 153 and name HB2) 2.421 0.732 0.732 weight 1.000 ! spec=HCH, no=6081, id=8851, vol=6.370000e+07
assign (resid 153 and name HB1) (resid 154 and name HA) 3.986 1.986 1.986 weight 1.000 ! spec=HCH, no=6086, id=8856, vol=3.200000e+06
assign (resid 154 and name HA) (resid 64 and name HA) 3.746 1.754 1.754 weight 1.000 ! spec=HCH, no=6090, id=8860, vol=4.640000e+06
assign (resid 154 and name HA) (resid 154 and name HE2) 3.628 1.645 1.645 weight 1.000 ! spec=HCH, no=6091, id=8861, vol=5.620000e+06
    or (resid 154 and name HA) (resid 154 and name HE1)
assign (resid 154 and name HA) (resid 37 and name HD1) 3.799 1.804 1.804 weight 1.000 ! spec=HCH, no=6094, id=8864, vol=4.270000e+06
assign (resid 154 and name HA) (resid 37 and name HE1) 3.942 1.942 1.942 weight 1.000 ! spec=HCH, no=6095, id=8865, vol=3.420000e+06
assign (resid 154 and name HA) (resid 154 and name HB1) 3.107 1.206 1.206 weight 1.000 ! spec=HCH, no=6098, id=8868, vol=1.430000e+07
assign (resid 154 and name HA) (resid 154 and name HG1) 3.205 1.284 1.284 weight 1.000 ! spec=HCH, no=6099, id=8869, vol=1.180000e+07
assign (resid 154 and name HA) (resid 155 and name HG21) 3.018 1.139 1.139 weight 1.000 ! spec=HCH, no=6101, id=8871, vol=1.700000e+07
    or (resid 154 and name HA) (resid 155 and name HG22)
    or (resid 154 and name HA) (resid 155 and name HG23)
assign (resid 154 and name HB2) (resid 154 and name HE2) 3.500 1.531 1.531 weight 1.000 ! spec=HCH, no=6102, id=8872, vol=6.980000e+06
    or (resid 154 and name HB2) (resid 154 and name HE1)
assign (resid 154 and name HB2) (resid 37 and name HD1) 3.805 1.809 1.809 weight 1.000 ! spec=HCH, no=6103, id=8873, vol=4.230000e+06
    or (resid 154 and name HB2) (resid 37 and name HD2)
assign (resid 154 and name HB1) (resid 37 and name HD1) 3.954 1.954 1.954 weight 1.000 ! spec=HCH, no=6104, id=8874, vol=3.360000e+06
    or (resid 154 and name HB1) (resid 37 and name HD2)
assign (resid 154 and name HB2) (resid 37 and name HD1) 3.733 1.742 1.742 weight 1.000 ! spec=HCH, no=6105, id=8875, vol=4.740000e+06
assign (resid 154 and name HB2) (resid 37 and name HE1) 3.773 1.780 1.780 weight 1.000 ! spec=HCH, no=6107, id=8877, vol=4.440000e+06
assign (resid 154 and name HB2) (resid 62 and name HN) 4.065 2.065 2.065 weight 1.000 ! spec=HCH, no=6108, id=8878, vol=2.840000e+06
assign (resid 154 and name HB1) (resid 62 and name HN) 3.974 1.975 1.975 weight 1.000 ! spec=HCH, no=6109, id=8879, vol=3.250000e+06
assign (resid 154 and name HB2) (resid 64 and name HN) 3.872 1.874 1.874 weight 1.000 ! spec=HCH, no=6110, id=8880, vol=3.800000e+06
assign (resid 154 and name HB1) (resid 64 and name HA) 3.438 1.478 1.478 weight 1.000 ! spec=HCH, no=6112, id=8882, vol=7.760000e+06
assign (resid 154 and name HB1) (resid 65 and name HN) 3.842 1.845 1.845 weight 1.000 ! spec=HCH, no=6116, id=8886, vol=3.990000e+06
assign (resid 154 and name HB2) (resid 154 and name HN) 3.250 1.320 1.320 weight 1.000 ! spec=HCH, no=6117, id=8887, vol=1.090000e+07
assign (resid 154 and name HB2) (resid 154 and name HA) 3.059 1.170 1.170 weight 1.000 ! spec=HCH, no=6119, id=8889, vol=1.570000e+07
assign (resid 154 and name HB1) (resid 154 and name HB2) 2.345 0.687 0.687 weight 1.000 ! spec=HCH, no=6123, id=8892, vol=7.720000e+07
assign (resid 154 and name HB1) (resid 154 and name HG2) 3.146 1.237 1.237 weight 1.000 ! spec=HCH, no=6125, id=8893, vol=1.320000e+07
assign (resid 154 and name HB2) (resid 154 and name HG1) 2.751 0.946 0.946 weight 1.000 ! spec=HCH, no=6126, id=8894, vol=2.960000e+07
assign (resid 154 and name HB1) (resid 154 and name HG1) 2.869 1.029 1.029 weight 1.000 ! spec=HCH, no=6127, id=8895, vol=2.300000e+07
assign (resid 154 and name HB1) (resid 154 and name HE2) 3.753 1.761 1.761 weight 1.000 ! spec=HCH, no=6128, id=8896, vol=4.590000e+06
assign (resid 35 and name HB2) (resid 154 and name HD2) 3.593 1.614 1.614 weight 1.000 ! spec=HCH, no=6132, id=8900, vol=5.960000e+06
assign (resid 154 and name HD2) (resid 154 and name HA) 3.768 1.775 1.775 weight 1.000 ! spec=HCH, no=6134, id=8902, vol=4.480000e+06
assign (resid 154 and name HD2) (resid 64 and name HA) 2.949 1.087 1.087 weight 1.000 ! spec=HCH, no=6136, id=8904, vol=1.950000e+07
assign (resid 154 and name HD2) (resid 154 and name HG1) 2.402 0.721 0.721 weight 1.000 ! spec=HCH, no=6137, id=8905, vol=6.670000e+07
assign (resid 154 and name HD2) (resid 65 and name HN) 2.817 0.992 0.992 weight 1.000 ! spec=HCH, no=6139, id=8907, vol=2.560000e+07
assign (resid 154 and name HD2) (resid 154 and name HG2) 2.536 0.804 0.804 weight 1.000 ! spec=HCH, no=6141, id=8909, vol=4.820000e+07
assign (resid 154 and name HD2) (resid 154 and name HE2) 2.606 0.849 0.849 weight 1.000 ! spec=HCH, no=6143, id=8910, vol=4.090000e+07
assign (resid 154 and name HD2) (resid 155 and name HN) 3.687 1.699 1.699 weight 1.000 ! spec=HCH, no=6144, id=8911, vol=5.100000e+06
assign (resid 155 and name HN) (resid 154 and name HE2) 3.434 1.474 1.474 weight 1.000 ! spec=HCH, no=6154, id=8919, vol=7.820000e+06
assign (resid 154 and name HG1) (resid 74 and name HE1) 4.018 2.019 2.019 weight 1.000 ! spec=HCH, no=6161, id=8926, vol=3.050000e+06
assign (resid 64 and name HA) (resid 154 and name HG1) 3.599 1.619 1.619 weight 1.000 ! spec=HCH, no=6162, id=8927, vol=5.900000e+06
assign (resid 154 and name HN) (resid 154 and name HG1) 3.632 1.649 1.649 weight 1.000 ! spec=HCH, no=6163, id=8928, vol=5.590000e+06
assign (resid 154 and name HG2) (resid 154 and name HA) 3.362 1.413 1.413 weight 1.000 ! spec=HCH, no=6164, id=8929, vol=8.880000e+06
assign (resid 154 and name HG1) (resid 154 and name HG2) 2.459 0.756 0.756 weight 1.000 ! spec=HCH, no=6165, id=8930, vol=5.800000e+07
assign (resid 154 and name HG2) (resid 154 and name HE2) 2.935 1.077 1.077 weight 1.000 ! spec=HCH, no=6166, id=8931, vol=2.010000e+07
assign (resid 155 and name HA) (resid 155 and name HB) 2.494 0.777 0.777 weight 1.000 ! spec=HCH, no=6171, id=8936, vol=5.330000e+07
assign (resid 156 and name HN) (resid 155 and name HB) 3.202 1.282 1.282 weight 1.000 ! spec=HCH, no=6183, id=8948, vol=1.190000e+07
assign (resid 155 and name HB) (resid 29 and name HZ3) 3.529 1.557 1.557 weight 1.000 ! spec=HCH, no=6185, id=8950, vol=6.640000e+06
assign (resid 155 and name HB) (resid 154 and name HA) 3.875 1.877 1.877 weight 1.000 ! spec=HCH, no=6186, id=8951, vol=3.790000e+06
assign (resid 155 and name HN) (resid 155 and name HB) 3.207 1.286 1.286 weight 1.000 ! spec=HCH, no=6187, id=8952, vol=1.180000e+07
assign (resid 61 and name HB2) (resid 155 and name HG21) 2.490 0.775 0.775 weight 1.000 ! spec=HCH, no=6199, id=8963, vol=5.380000e+07
    or (resid 61 and name HB2) (resid 155 and name HG22)
    or (resid 61 and name HB2) (resid 155 and name HG23)
    or (resid 61 and name HB1) (resid 155 and name HG21)
    or (resid 61 and name HB1) (resid 155 and name HG22)
    or (resid 61 and name HB1) (resid 155 and name HG23)
    or (resid 61 and name HB3) (resid 155 and name HG21)
    or (resid 61 and name HB3) (resid 155 and name HG22)
    or (resid 61 and name HB3) (resid 155 and name HG23)
assign (resid 155 and name HG21) (resid 29 and name HE3) 3.167 1.253 1.253 weight 1.000 ! spec=HCH, no=6200, id=8964, vol=1.270000e+07
    or (resid 155 and name HG22) (resid 29 and name HE3)
    or (resid 155 and name HG23) (resid 29 and name HE3)
assign (resid 155 and name HG21) (resid 29 and name HZ3) 2.997 1.123 1.123 weight 1.000 ! spec=HCH, no=6201, id=8965, vol=1.770000e+07
    or (resid 155 and name HG22) (resid 29 and name HZ3)
    or (resid 155 and name HG23) (resid 29 and name HZ3)
assign (resid 155 and name HG21) (resid 35 and name HA) 3.698 1.710 1.710 weight 1.000 ! spec=HCH, no=6202, id=8966, vol=5.010000e+06
    or (resid 155 and name HG22) (resid 35 and name HA)
    or (resid 155 and name HG23) (resid 35 and name HA)
assign (resid 155 and name HG21) (resid 35 and name HB2) 3.521 1.550 1.550 weight 1.000 ! spec=HCH, no=6203, id=8967, vol=6.730000e+06
    or (resid 155 and name HG22) (resid 35 and name HB2)
    or (resid 155 and name HG23) (resid 35 and name HB2)
assign (resid 36 and name HB2) (resid 155 and name HG21) 2.551 0.813 0.813 weight 1.000 ! spec=HCH, no=6205, id=8969, vol=4.650000e+07
    or (resid 36 and name HB2) (resid 155 and name HG22)
    or (resid 36 and name HB2) (resid 155 and name HG23)
assign (resid 36 and name HB1) (resid 155 and name HG21) 2.642 0.873 0.873 weight 1.000 ! spec=HCH, no=6206, id=8970, vol=3.770000e+07
    or (resid 36 and name HB1) (resid 155 and name HG22)
    or (resid 36 and name HB1) (resid 155 and name HG23)
assign (resid 155 and name HG21) (resid 37 and name HN) 3.862 1.865 1.865 weight 1.000 ! spec=HCH, no=6207, id=8971, vol=3.860000e+06
    or (resid 155 and name HG22) (resid 37 and name HN)
    or (resid 155 and name HG23) (resid 37 and name HN)
assign (resid 155 and name HG21) (resid 38 and name HG22) 3.616 1.634 1.634 weight 1.000 ! spec=HCH, no=6208, id=8972, vol=5.740000e+06
    or (resid 155 and name HG21) (resid 38 and name HG21)
    or (resid 155 and name HG21) (resid 38 and name HG23)
    or (resid 155 and name HG22) (resid 38 and name HG22)
    or (resid 155 and name HG22) (resid 38 and name HG21)
    or (resid 155 and name HG22) (resid 38 and name HG23)
    or (resid 155 and name HG23) (resid 38 and name HG22)
    or (resid 155 and name HG23) (resid 38 and name HG21)
    or (resid 155 and name HG23) (resid 38 and name HG23)
assign (resid 155 and name HG21) (resid 155 and name HN) 2.630 0.865 0.865 weight 1.000 ! spec=HCH, no=6210, id=8974, vol=3.870000e+07
    or (resid 155 and name HG22) (resid 155 and name HN)
    or (resid 155 and name HG23) (resid 155 and name HN)
assign (resid 155 and name HG21) (resid 155 and name HA) 2.738 0.937 0.937 weight 1.000 ! spec=HCH, no=6211, id=8975, vol=3.040000e+07
    or (resid 155 and name HG22) (resid 155 and name HA)
    or (resid 155 and name HG23) (resid 155 and name HA)
assign (resid 155 and name HB) (resid 155 and name HG21) 2.320 0.673 0.673 weight 1.000 ! spec=HCH, no=6212, id=8976, vol=8.220000e+07
    or (resid 155 and name HB) (resid 155 and name HG22)
    or (resid 155 and name HB) (resid 155 and name HG23)
assign (resid 155 and name HG21) (resid 155 and name HG22) 1.274 0.203 0.203 weight 1.000 ! spec=HCH, no=6213, id=8977, vol=3.000000e+09
    or (resid 155 and name HG21) (resid 155 and name HG23)
    or (resid 155 and name HG21) (resid 155 and name HG22)
    or (resid 155 and name HG22) (resid 155 and name HG23)
    or (resid 155 and name HG21) (resid 155 and name HG23)
    or (resid 155 and name HG22) (resid 155 and name HG23)
assign (resid 156 and name HA) (resid 157 and name HG22) 2.845 1.012 1.012 weight 1.000 ! spec=HCH, no=6219, id=8983, vol=2.420000e+07
    or (resid 156 and name HA) (resid 157 and name HG21)
    or (resid 156 and name HA) (resid 157 and name HG23)
assign (resid 156 and name HB2) (resid 154 and name HE2) 3.420 1.462 1.462 weight 1.000 ! spec=HCH, no=6220, id=8984, vol=8.010000e+06
    or (resid 156 and name HB2) (resid 154 and name HE1)
    or (resid 156 and name HB1) (resid 154 and name HE2)
    or (resid 156 and name HB1) (resid 154 and name HE1)
    or (resid 156 and name HB3) (resid 154 and name HE2)
    or (resid 156 and name HB3) (resid 154 and name HE1)
assign (resid 156 and name HB2) (resid 35 and name HB2) 3.831 1.834 1.834 weight 1.000 ! spec=HCH, no=6225, id=8989, vol=4.060000e+06
    or (resid 156 and name HB1) (resid 35 and name HB2)
    or (resid 156 and name HB3) (resid 35 and name HB2)
assign (resid 156 and name HA) (resid 156 and name HB2) 2.120 0.562 0.562 weight 1.000 ! spec=HCH, no=6228, id=8992, vol=1.410000e+08
    or (resid 156 and name HA) (resid 156 and name HB1)
    or (resid 156 and name HA) (resid 156 and name HB3)
assign (resid 156 and name HB2) (resid 156 and name HB1) 1.205 0.181 0.181 weight 1.000 ! spec=HCH, no=6229, id=8993, vol=4.200000e+09
    or (resid 156 and name HB2) (resid 156 and name HB3)
    or (resid 156 and name HB2) (resid 156 and name HB1)
    or (resid 156 and name HB1) (resid 156 and name HB3)
    or (resid 156 and name HB2) (resid 156 and name HB3)
    or (resid 156 and name HB1) (resid 156 and name HB3)
assign (resid 156 and name HB2) (resid 157 and name HA) 3.238 1.310 1.310 weight 1.000 ! spec=HCH, no=6231, id=8995, vol=1.110000e+07
    or (resid 156 and name HB1) (resid 157 and name HA)
    or (resid 156 and name HB3) (resid 157 and name HA)
assign (resid 157 and name HA) (resid 35 and name HA) 3.553 1.578 1.578 weight 1.000 ! spec=HCH, no=6237, id=9001, vol=6.370000e+06
assign (resid 157 and name HA) (resid 156 and name HA) 3.568 1.591 1.591 weight 1.000 ! spec=HCH, no=6238, id=9002, vol=6.220000e+06
assign (resid 157 and name HA) (resid 157 and name HB) 2.769 0.959 0.959 weight 1.000 ! spec=HCH, no=6241, id=9005, vol=2.840000e+07
assign (resid 157 and name HA) (resid 157 and name HG12) 2.946 1.085 1.085 weight 1.000 ! spec=HCH, no=6242, id=9006, vol=1.960000e+07
assign (resid 157 and name HA) (resid 158 and name HD1) 2.334 0.681 0.681 weight 1.000 ! spec=HCH, no=6245, id=9009, vol=7.940000e+07
assign (resid 157 and name HA) (resid 158 and name HG2) 3.044 1.158 1.158 weight 1.000 ! spec=HCH, no=6246, id=9010, vol=1.610000e+07
assign (resid 157 and name HB) (resid 35 and name HA) 3.820 1.824 1.824 weight 1.000 ! spec=HCH, no=6249, id=9013, vol=4.130000e+06
assign (resid 157 and name HN) (resid 157 and name HB) 2.656 0.882 0.882 weight 1.000 ! spec=HCH, no=6251, id=9015, vol=3.650000e+07
assign (resid 157 and name HB) (resid 157 and name HG11) 2.673 0.893 0.893 weight 1.000 ! spec=HCH, no=6254, id=9017, vol=3.520000e+07
assign (resid 31 and name HG1) (resid 157 and name HD12) 2.688 0.903 0.903 weight 1.000 ! spec=HCH, no=6258, id=9021, vol=3.400000e+07
    or (resid 31 and name HG1) (resid 157 and name HD11)
    or (resid 31 and name HG1) (resid 157 and name HD13)
assign (resid 35 and name HN) (resid 157 and name HD12) 2.986 1.115 1.115 weight 1.000 ! spec=HCH, no=6260, id=9023, vol=1.810000e+07
    or (resid 35 and name HN) (resid 157 and name HD11)
    or (resid 35 and name HN) (resid 157 and name HD13)
assign (resid 157 and name HD12) (resid 31 and name HA) 3.742 1.750 1.750 weight 1.000 ! spec=HCH, no=6264, id=9027, vol=4.670000e+06
    or (resid 157 and name HD11) (resid 31 and name HA)
    or (resid 157 and name HD13) (resid 31 and name HA)
assign (resid 157 and name HD12) (resid 34 and name HA) 2.491 0.775 0.775 weight 1.000 ! spec=HCH, no=6265, id=9028, vol=5.370000e+07
    or (resid 157 and name HD11) (resid 34 and name HA)
    or (resid 157 and name HD13) (resid 34 and name HA)
assign (resid 157 and name HB) (resid 157 and name HD12) 2.399 0.719 0.719 weight 1.000 ! spec=HCH, no=6269, id=9032, vol=6.730000e+07
    or (resid 157 and name HB) (resid 157 and name HD11)
    or (resid 157 and name HB) (resid 157 and name HD13)
assign (resid 157 and name HD12) (resid 158 and name HD1) 3.440 1.479 1.479 weight 1.000 ! spec=HCH, no=6270, id=9033, vol=7.740000e+06
    or (resid 157 and name HD11) (resid 158 and name HD1)
    or (resid 157 and name HD13) (resid 158 and name HD1)
assign (resid 34 and name HB2) (resid 157 and name HG11) 3.482 1.516 1.516 weight 1.000 ! spec=HCH, no=6278, id=9041, vol=7.190000e+06
    or (resid 157 and name HG11) (resid 34 and name HB1)
assign (resid 157 and name HG12) (resid 23 and name HB2) 3.845 1.848 1.848 weight 1.000 ! spec=HCH, no=6280, id=9043, vol=3.970000e+06
assign (resid 157 and name HG12) (resid 23 and name HB1) 3.650 1.665 1.665 weight 1.000 ! spec=HCH, no=6281, id=9044, vol=5.420000e+06
assign (resid 157 and name HG12) (resid 34 and name HA) 3.498 1.529 1.529 weight 1.000 ! spec=HCH, no=6284, id=9047, vol=7.000000e+06
assign (resid 157 and name HG12) (resid 34 and name HB2) 3.498 1.529 1.529 weight 1.000 ! spec=HCH, no=6285, id=9048, vol=7.000000e+06
assign (resid 157 and name HG12) (resid 35 and name HA) 3.752 1.759 1.759 weight 1.000 ! spec=HCH, no=6286, id=9049, vol=4.600000e+06
assign (resid 157 and name HG11) (resid 157 and name HN) 2.892 1.045 1.045 weight 1.000 ! spec=HCH, no=6288, id=9051, vol=2.190000e+07
assign (resid 157 and name HG11) (resid 157 and name HA) 3.121 1.217 1.217 weight 1.000 ! spec=HCH, no=6289, id=9052, vol=1.390000e+07
assign (resid 157 and name HB) (resid 157 and name HG12) 2.839 1.008 1.008 weight 1.000 ! spec=HCH, no=6290, id=9053, vol=2.450000e+07
assign (resid 157 and name HG11) (resid 157 and name HG12) 2.153 0.579 0.579 weight 1.000 ! spec=HCH, no=6292, id=9054, vol=1.290000e+08
assign (resid 157 and name HG22) (resid 35 and name HA) 3.271 1.338 1.338 weight 1.000 ! spec=HCH, no=6297, id=9059, vol=1.050000e+07
    or (resid 157 and name HG21) (resid 35 and name HA)
    or (resid 157 and name HG23) (resid 35 and name HA)
assign (resid 157 and name HG22) (resid 35 and name HN) 3.614 1.632 1.632 weight 1.000 ! spec=HCH, no=6298, id=9060, vol=5.760000e+06
    or (resid 157 and name HG21) (resid 35 and name HN)
    or (resid 157 and name HG23) (resid 35 and name HN)
assign (resid 157 and name HG22) (resid 35 and name HB2) 3.682 1.694 1.694 weight 1.000 ! spec=HCH, no=6301, id=9062, vol=5.150000e+06
    or (resid 157 and name HG21) (resid 35 and name HB2)
    or (resid 157 and name HG23) (resid 35 and name HB2)
assign (resid 23 and name HB1) (resid 157 and name HG22) 2.672 0.892 0.892 weight 1.000 ! spec=HCH, no=6306, id=9067, vol=3.520000e+07
    or (resid 23 and name HB1) (resid 157 and name HG21)
    or (resid 23 and name HB1) (resid 157 and name HG23)
assign (resid 157 and name HG22) (resid 23 and name HB2) 2.861 1.023 1.023 weight 1.000 ! spec=HCH, no=6307, id=9068, vol=2.340000e+07
    or (resid 157 and name HG21) (resid 23 and name HB2)
    or (resid 157 and name HG23) (resid 23 and name HB2)
assign (resid 157 and name HG22) (resid 23 and name HA) 2.885 1.040 1.040 weight 1.000 ! spec=HCH, no=6308, id=9069, vol=2.230000e+07
    or (resid 157 and name HG21) (resid 23 and name HA)
    or (resid 157 and name HG23) (resid 23 and name HA)
assign (resid 157 and name HG22) (resid 36 and name HN) 3.882 1.884 1.884 weight 1.000 ! spec=HCH, no=6310, id=9071, vol=3.740000e+06
    or (resid 157 and name HG21) (resid 36 and name HN)
    or (resid 157 and name HG23) (resid 36 and name HN)
assign (resid 157 and name HG22) (resid 157 and name HN) 2.673 0.893 0.893 weight 1.000 ! spec=HCH, no=6311, id=9072, vol=3.520000e+07
    or (resid 157 and name HG21) (resid 157 and name HN)
    or (resid 157 and name HG23) (resid 157 and name HN)
assign (resid 157 and name HG22) (resid 157 and name HA) 2.329 0.678 0.678 weight 1.000 ! spec=HCH, no=6312, id=9073, vol=8.030000e+07
    or (resid 157 and name HG21) (resid 157 and name HA)
    or (resid 157 and name HG23) (resid 157 and name HA)
assign (resid 157 and name HB) (resid 157 and name HG22) 2.121 0.562 0.562 weight 1.000 ! spec=HCH, no=6313, id=9074, vol=1.410000e+08
    or (resid 157 and name HB) (resid 157 and name HG21)
    or (resid 157 and name HB) (resid 157 and name HG23)
assign (resid 157 and name HG22) (resid 157 and name HG11) 2.487 0.773 0.773 weight 1.000 ! spec=HCH, no=6314, id=9075, vol=5.410000e+07
    or (resid 157 and name HG21) (resid 157 and name HG11)
    or (resid 157 and name HG23) (resid 157 and name HG11)
assign (resid 157 and name HG22) (resid 157 and name HG21) 1.215 0.185 0.185 weight 1.000 ! spec=HCH, no=6315, id=9076, vol=3.980000e+09
    or (resid 157 and name HG22) (resid 157 and name HG23)
    or (resid 157 and name HG22) (resid 157 and name HG21)
    or (resid 157 and name HG21) (resid 157 and name HG23)
    or (resid 157 and name HG22) (resid 157 and name HG23)
    or (resid 157 and name HG21) (resid 157 and name HG23)
assign (resid 157 and name HG22) (resid 158 and name HD1) 2.715 0.921 0.921 weight 1.000 ! spec=HCH, no=6317, id=9078, vol=3.210000e+07
    or (resid 157 and name HG21) (resid 158 and name HD1)
    or (resid 157 and name HG23) (resid 158 and name HD1)
assign (resid 156 and name HB2) (resid 158 and name HA) 3.503 1.534 1.534 weight 1.000 ! spec=HCH, no=6322, id=9083, vol=6.940000e+06
    or (resid 156 and name HB1) (resid 158 and name HA)
    or (resid 156 and name HB3) (resid 158 and name HA)
assign (resid 158 and name HA) (resid 158 and name HB2) 2.459 0.756 0.756 weight 1.000 ! spec=HCH, no=6325, id=9085, vol=5.800000e+07
assign (resid 158 and name HA) (resid 158 and name HB1) 2.335 0.682 0.682 weight 1.000 ! spec=HCH, no=6326, id=9086, vol=7.900000e+07
assign (resid 158 and name HA) (resid 158 and name HD2) 3.396 1.442 1.442 weight 1.000 ! spec=HCH, no=6327, id=9087, vol=8.350000e+06
assign (resid 158 and name HA) (resid 158 and name HD1) 3.414 1.457 1.457 weight 1.000 ! spec=HCH, no=6328, id=9088, vol=8.100000e+06
assign (resid 159 and name HN) (resid 158 and name HA) 2.320 0.673 0.673 weight 1.000 ! spec=HCH, no=6329, id=9089, vol=8.220000e+07
assign (resid 158 and name HB2) (resid 158 and name HD1) 3.104 1.204 1.204 weight 1.000 ! spec=HCH, no=6331, id=9091, vol=1.430000e+07
assign (resid 158 and name HB2) (resid 158 and name HB1) 2.036 0.518 0.518 weight 1.000 ! spec=HCH, no=6337, id=9097, vol=1.800000e+08
assign (resid 158 and name HB2) (resid 158 and name HD2) 3.125 1.221 1.221 weight 1.000 ! spec=HCH, no=6338, id=9098, vol=1.380000e+07
assign (resid 158 and name HB1) (resid 158 and name HD1) 3.098 1.200 1.200 weight 1.000 ! spec=HCH, no=6341, id=9101, vol=1.450000e+07
assign (resid 158 and name HB1) (resid 158 and name HD2) 3.004 1.128 1.128 weight 1.000 ! spec=HCH, no=6344, id=9104, vol=1.740000e+07
assign (resid 157 and name HG12) (resid 158 and name HD2) 3.657 1.671 1.671 weight 1.000 ! spec=HCH, no=6345, id=9105, vol=5.360000e+06
assign (resid 157 and name HA) (resid 158 and name HD2) 2.431 0.738 0.738 weight 1.000 ! spec=HCH, no=6346, id=9106, vol=6.220000e+07
assign (resid 157 and name HG12) (resid 158 and name HD1) 3.743 1.751 1.751 weight 1.000 ! spec=HCH, no=6347, id=9107, vol=4.670000e+06
assign (resid 156 and name HB2) (resid 158 and name HD2) 3.420 1.462 1.462 weight 1.000 ! spec=HCH, no=6353, id=9113, vol=8.010000e+06
    or (resid 156 and name HB1) (resid 158 and name HD2)
    or (resid 156 and name HB3) (resid 158 and name HD2)
assign (resid 158 and name HD1) (resid 157 and name HN) 3.765 1.772 1.772 weight 1.000 ! spec=HCH, no=6356, id=9116, vol=4.500000e+06
assign (resid 157 and name HB) (resid 158 and name HD2) 3.116 1.214 1.214 weight 1.000 ! spec=HCH, no=6357, id=9117, vol=1.400000e+07
assign (resid 157 and name HB) (resid 158 and name HD1) 3.302 1.363 1.363 weight 1.000 ! spec=HCH, no=6358, id=9118, vol=9.890000e+06
assign (resid 158 and name HD1) (resid 158 and name HD2) 2.043 0.522 0.522 weight 1.000 ! spec=HCH, no=6364, id=9123, vol=1.770000e+08
assign (resid 158 and name HD2) (resid 158 and name HG2) 2.452 0.751 0.751 weight 1.000 ! spec=HCH, no=6366, id=9124, vol=5.910000e+07
assign (resid 158 and name HD1) (resid 158 and name HG2) 2.492 0.777 0.777 weight 1.000 ! spec=HCH, no=6367, id=9125, vol=5.350000e+07
assign (resid 158 and name HG2) (resid 158 and name HA) 3.011 1.134 1.134 weight 1.000 ! spec=HCH, no=6370, id=9128, vol=1.720000e+07
assign (resid 158 and name HG2) (resid 158 and name HB1) 2.228 0.620 0.620 weight 1.000 ! spec=HCH, no=6371, id=9129, vol=1.050000e+08
assign (resid 158 and name HG2) (resid 159 and name HE1) 4.042 2.043 2.043 weight 1.000 ! spec=HCH, no=6375, id=9132, vol=2.940000e+06
assign (resid 160 and name HN) (resid 159 and name HA) 2.590 0.839 0.839 weight 1.000 ! spec=HCH, no=6379, id=9135, vol=4.250000e+07
assign (resid 159 and name HB2) (resid 157 and name HG22) 3.363 1.413 1.413 weight 1.000 ! spec=HCH, no=6382, id=9138, vol=8.870000e+06
    or (resid 159 and name HB2) (resid 157 and name HG21)
    or (resid 159 and name HB2) (resid 157 and name HG23)
assign (resid 159 and name HA) (resid 159 and name HB2) 2.327 0.677 0.677 weight 1.000 ! spec=HCH, no=6385, id=9141, vol=8.090000e+07
assign (resid 159 and name HB2) (resid 159 and name HD1) 2.477 0.767 0.767 weight 1.000 ! spec=HCH, no=6387, id=9142, vol=5.550000e+07
assign (resid 159 and name HB2) (resid 159 and name HE1) 3.623 1.641 1.641 weight 1.000 ! spec=HCH, no=6388, id=9143, vol=5.670000e+06
assign (resid 159 and name HB2) (resid 160 and name HG2) 3.843 1.846 1.846 weight 1.000 ! spec=HCH, no=6390, id=9145, vol=3.980000e+06
assign (resid 160 and name HA) (resid 160 and name HB2) 2.668 0.890 0.890 weight 1.000 ! spec=HCH, no=6394, id=9149, vol=3.550000e+07
assign (resid 160 and name HB1) (resid 160 and name HA) 2.782 0.968 0.968 weight 1.000 ! spec=HCH, no=6399, id=9154, vol=2.770000e+07
assign (resid 160 and name HB2) (resid 160 and name HG2) 2.262 0.639 0.639 weight 1.000 ! spec=HCH, no=6400, id=9155, vol=9.580000e+07
assign (resid 160 and name HB1) (resid 160 and name HG2) 2.485 0.772 0.772 weight 1.000 ! spec=HCH, no=6401, id=9156, vol=5.450000e+07
assign (resid 160 and name HG2) (resid 160 and name HA) 3.218 1.294 1.294 weight 1.000 ! spec=HCH, no=6413, id=9168, vol=1.160000e+07
assign (resid 161 and name HA) (resid 161 and name HB1) 2.852 1.017 1.017 weight 1.000 ! spec=HCH, no=6421, id=9173, vol=2.380000e+07
assign (resid 161 and name HN) (resid 161 and name HA) 2.900 1.051 1.051 weight 1.000 ! spec=HCH, no=6423, id=9175, vol=2.160000e+07
assign (resid 161 and name HB2) (resid 158 and name HB1) 3.120 1.217 1.217 weight 1.000 ! spec=HCH, no=6427, id=9178, vol=1.390000e+07
assign (resid 161 and name HN) (resid 161 and name HB1) 3.160 1.248 1.248 weight 1.000 ! spec=HCH, no=6429, id=9180, vol=1.290000e+07
assign (resid 161 and name HB2) (resid 161 and name HA) 3.393 1.439 1.439 weight 1.000 ! spec=HCH, no=6430, id=9181, vol=8.400000e+06
assign (resid 161 and name HB1) (resid 161 and name HB2) 1.796 0.403 0.403 weight 1.000 ! spec=HCH, no=6433, id=9183, vol=3.820000e+08
assign (resid 161 and name HB1) (resid 161 and name HG2) 1.971 0.486 0.486 weight 1.000 ! spec=HCH, no=6437, id=9186, vol=2.190000e+08
assign (resid 161 and name HD2) (resid 161 and name HB1) 3.496 1.527 1.527 weight 1.000 ! spec=HCH, no=6439, id=9188, vol=7.030000e+06
assign (resid 161 and name HD2) (resid 161 and name HA) 3.357 1.409 1.409 weight 1.000 ! spec=HCH, no=6452, id=9199, vol=8.960000e+06
assign (resid 161 and name HG2) (resid 161 and name HD2) 3.498 1.529 1.529 weight 1.000 ! spec=HCH, no=6457, id=9203, vol=7.000000e+06
assign (resid 29 and name HD1) (resid 26 and name HA) 3.298 1.359 1.359 weight 1.000 ! spec=HCHaro, no=3, id=9204, vol=5.290000e+06
assign (resid 29 and name HD1) (resid 25 and name HG2) 3.663 1.677 1.677 weight 1.000 ! spec=HCHaro, no=4, id=9205, vol=2.820000e+06
assign (resid 29 and name HD1) (resid 25 and name HD2) 3.655 1.670 1.670 weight 1.000 ! spec=HCHaro, no=5, id=9206, vol=2.850000e+06
assign (resid 29 and name HD1) (resid 28 and name HN) 3.685 1.697 1.697 weight 1.000 ! spec=HCHaro, no=6, id=9207, vol=2.720000e+06
assign (resid 29 and name HD1) (resid 25 and name HB1) 3.523 1.552 1.552 weight 1.000 ! spec=HCHaro, no=7, id=9208, vol=3.560000e+06
assign (resid 38 and name HD12) (resid 29 and name HD1) 3.040 1.155 1.155 weight 1.000 ! spec=HCHaro, no=8, id=9209, vol=8.630000e+06
    or (resid 38 and name HD11) (resid 29 and name HD1)
    or (resid 38 and name HD13) (resid 29 and name HD1)
assign (resid 29 and name HD1) (resid 25 and name HB2) 3.277 1.342 1.342 weight 1.000 ! spec=HCHaro, no=9, id=9210, vol=5.500000e+06
assign (resid 29 and name HD1) (resid 26 and name HB1) 3.336 1.391 1.391 weight 1.000 ! spec=HCHaro, no=11, id=9212, vol=4.940000e+06
assign (resid 28 and name HB) (resid 29 and name HD1) 2.882 1.038 1.038 weight 1.000 ! spec=HCHaro, no=12, id=9213, vol=1.190000e+07
assign (resid 28 and name HG21) (resid 29 and name HD1) 3.450 1.488 1.488 weight 1.000 ! spec=HCHaro, no=13, id=9214, vol=4.040000e+06
    or (resid 28 and name HG22) (resid 29 and name HD1)
    or (resid 28 and name HG23) (resid 29 and name HD1)
assign (resid 29 and name HN) (resid 29 and name HD1) 2.511 0.788 0.788 weight 1.000 ! spec=HCHaro, no=14, id=9215, vol=2.720000e+07
assign (resid 29 and name HD1) (resid 29 and name HA) 3.283 1.347 1.347 weight 1.000 ! spec=HCHaro, no=15, id=9216, vol=5.440000e+06
assign (resid 29 and name HE1) (resid 29 and name HD1) 2.434 0.740 0.740 weight 1.000 ! spec=HCHaro, no=17, id=9217, vol=3.280000e+07
assign (resid 29 and name HD1) (resid 29 and name HB2) 2.960 1.095 1.095 weight 1.000 ! spec=HCHaro, no=18, id=9218, vol=1.010000e+07
assign (resid 29 and name HE3) (resid 25 and name HD2) 3.518 1.547 1.547 weight 1.000 ! spec=HCHaro, no=25, id=9224, vol=3.590000e+06
assign (resid 29 and name HE3) (resid 29 and name HA) 3.433 1.473 1.473 weight 1.000 ! spec=HCHaro, no=26, id=9225, vol=4.160000e+06
assign (resid 29 and name HE3) (resid 29 and name HD1) 3.345 1.398 1.398 weight 1.000 ! spec=HCHaro, no=27, id=9226, vol=4.860000e+06
assign (resid 29 and name HE3) (resid 29 and name HZ2) 3.522 1.550 1.550 weight 1.000 ! spec=HCHaro, no=29, id=9227, vol=3.570000e+06
assign (resid 29 and name HB2) (resid 29 and name HE3) 2.785 0.970 0.970 weight 1.000 ! spec=HCHaro, no=31, id=9229, vol=1.460000e+07
assign (resid 29 and name HE3) (resid 36 and name HN) 3.609 1.628 1.628 weight 1.000 ! spec=HCHaro, no=32, id=9230, vol=3.080000e+06
assign (resid 29 and name HE3) (resid 36 and name HA) 3.310 1.370 1.370 weight 1.000 ! spec=HCHaro, no=33, id=9231, vol=5.170000e+06
assign (resid 36 and name HB2) (resid 29 and name HE3) 2.801 0.981 0.981 weight 1.000 ! spec=HCHaro, no=34, id=9232, vol=1.410000e+07
assign (resid 36 and name HB1) (resid 29 and name HE3) 2.786 0.970 0.970 weight 1.000 ! spec=HCHaro, no=35, id=9233, vol=1.460000e+07
assign (resid 29 and name HE3) (resid 38 and name HN) 3.610 1.629 1.629 weight 1.000 ! spec=HCHaro, no=36, id=9234, vol=3.080000e+06
assign (resid 38 and name HB) (resid 29 and name HE3) 3.388 1.435 1.435 weight 1.000 ! spec=HCHaro, no=37, id=9235, vol=4.500000e+06
assign (resid 29 and name HE3) (resid 38 and name HD12) 3.805 1.809 1.809 weight 1.000 ! spec=HCHaro, no=38, id=9236, vol=2.240000e+06
    or (resid 29 and name HE3) (resid 38 and name HD11)
    or (resid 29 and name HE3) (resid 38 and name HD13)
assign (resid 29 and name HZ2) (resid 25 and name HG2) 3.094 1.197 1.197 weight 1.000 ! spec=HCHaro, no=45, id=9242, vol=7.760000e+06
assign (resid 29 and name HZ2) (resid 25 and name HD1) 3.841 1.844 1.844 weight 1.000 ! spec=HCHaro, no=49, id=9246, vol=2.120000e+06
assign (resid 29 and name HE1) (resid 29 and name HZ2) 2.694 0.907 0.907 weight 1.000 ! spec=HCHaro, no=50, id=9247, vol=1.780000e+07
assign (resid 38 and name HG22) (resid 29 and name HZ2) 3.176 1.261 1.261 weight 1.000 ! spec=HCHaro, no=53, id=9249, vol=6.630000e+06
    or (resid 38 and name HG21) (resid 29 and name HZ2)
    or (resid 38 and name HG23) (resid 29 and name HZ2)
assign (resid 29 and name HZ2) (resid 59 and name HB2) 3.115 1.213 1.213 weight 1.000 ! spec=HCHaro, no=54, id=9250, vol=7.450000e+06
assign (resid 29 and name HZ2) (resid 59 and name HB1) 2.988 1.116 1.116 weight 1.000 ! spec=HCHaro, no=55, id=9251, vol=9.560000e+06
assign (resid 29 and name HZ2) (resid 153 and name HB2) 3.721 1.730 1.730 weight 1.000 ! spec=HCHaro, no=56, id=9252, vol=2.570000e+06
assign (resid 29 and name HZ3) (resid 153 and name HB2) 3.442 1.481 1.481 weight 1.000 ! spec=HCHaro, no=62, id=9258, vol=4.100000e+06
assign (resid 29 and name HE3) (resid 29 and name HZ3) 3.238 1.311 1.311 weight 1.000 ! spec=HCHaro, no=69, id=9265, vol=5.910000e+06
assign (resid 29 and name HZ3) (resid 38 and name HB) 3.779 1.785 1.785 weight 1.000 ! spec=HCHaro, no=72, id=9267, vol=2.340000e+06
assign (resid 38 and name HD12) (resid 29 and name HZ3) 3.537 1.564 1.564 weight 1.000 ! spec=HCHaro, no=73, id=9268, vol=3.470000e+06
    or (resid 38 and name HD11) (resid 29 and name HZ3)
    or (resid 38 and name HD13) (resid 29 and name HZ3)
assign (resid 38 and name HG22) (resid 29 and name HZ3) 3.006 1.130 1.130 weight 1.000 ! spec=HCHaro, no=74, id=9269, vol=9.220000e+06
    or (resid 38 and name HG21) (resid 29 and name HZ3)
    or (resid 38 and name HG23) (resid 29 and name HZ3)
assign (resid 29 and name HZ3) (resid 59 and name HB2) 3.258 1.327 1.327 weight 1.000 ! spec=HCHaro, no=75, id=9270, vol=5.690000e+06
assign (resid 29 and name HZ3) (resid 59 and name HB1) 3.430 1.471 1.471 weight 1.000 ! spec=HCHaro, no=76, id=9271, vol=4.180000e+06
assign (resid 61 and name HB2) (resid 29 and name HZ3) 2.432 0.739 0.739 weight 1.000 ! spec=HCHaro, no=77, id=9272, vol=3.290000e+07
    or (resid 61 and name HB1) (resid 29 and name HZ3)
    or (resid 61 and name HB3) (resid 29 and name HZ3)
assign (resid 32 and name HD1) (resid 71 and name HA) 2.831 1.002 1.002 weight 1.000 ! spec=HCHaro, no=81, id=9276, vol=1.320000e+07
assign (resid 32 and name HD1) (resid 33 and name HB2) 2.851 1.016 1.016 weight 1.000 ! spec=HCHaro, no=82, id=9277, vol=1.270000e+07
    or (resid 32 and name HD1) (resid 33 and name HB1)
assign (resid 71 and name HG2) (resid 32 and name HD1) 2.625 0.861 0.861 weight 1.000 ! spec=HCHaro, no=83, id=9278, vol=2.080000e+07
assign (resid 32 and name HD1) (resid 33 and name HG1) 3.123 1.219 1.219 weight 1.000 ! spec=HCHaro, no=84, id=9279, vol=7.340000e+06
assign (resid 32 and name HD1) (resid 75 and name HD12) 3.457 1.494 1.494 weight 1.000 ! spec=HCHaro, no=86, id=9281, vol=3.980000e+06
    or (resid 32 and name HD1) (resid 75 and name HD11)
    or (resid 32 and name HD1) (resid 75 and name HD13)
assign (resid 32 and name HN) (resid 32 and name HD1) 3.207 1.286 1.286 weight 1.000 ! spec=HCHaro, no=87, id=9282, vol=6.250000e+06
assign (resid 32 and name HB1) (resid 32 and name HD1) 2.335 0.681 0.681 weight 1.000 ! spec=HCHaro, no=90, id=9285, vol=4.200000e+07
assign (resid 32 and name HD1) (resid 32 and name HE1) 1.972 0.486 0.486 weight 1.000 ! spec=HCHaro, no=92, id=9286, vol=1.160000e+08
assign (resid 32 and name HD1) (resid 74 and name HE1) 3.195 1.276 1.276 weight 1.000 ! spec=HCHaro, no=96, id=9290, vol=6.400000e+06
assign (resid 71 and name HA) (resid 32 and name HE1) 2.831 1.002 1.002 weight 1.000 ! spec=HCHaro, no=98, id=9292, vol=1.320000e+07
assign (resid 32 and name HE1) (resid 33 and name HG1) 3.180 1.264 1.264 weight 1.000 ! spec=HCHaro, no=100, id=9294, vol=6.580000e+06
assign (resid 32 and name HE1) (resid 70 and name HB1) 2.838 1.007 1.007 weight 1.000 ! spec=HCHaro, no=101, id=9295, vol=1.300000e+07
assign (resid 32 and name HE1) (resid 71 and name HN) 3.367 1.417 1.417 weight 1.000 ! spec=HCHaro, no=103, id=9297, vol=4.670000e+06
assign (resid 32 and name HE1) (resid 71 and name HB2) 2.869 1.029 1.029 weight 1.000 ! spec=HCHaro, no=104, id=9298, vol=1.220000e+07
    or (resid 32 and name HE1) (resid 71 and name HB1)
assign (resid 32 and name HZ) (resid 70 and name HG1) 3.149 1.240 1.240 weight 1.000 ! spec=HCHaro, no=107, id=9301, vol=6.980000e+06
assign (resid 32 and name HZ) (resid 74 and name HA) 3.420 1.462 1.462 weight 1.000 ! spec=HCHaro, no=111, id=9305, vol=4.250000e+06
assign (resid 32 and name HZ) (resid 70 and name HN) 3.527 1.555 1.555 weight 1.000 ! spec=HCHaro, no=112, id=9306, vol=3.540000e+06
assign (resid 32 and name HZ) (resid 70 and name HB2) 2.890 1.044 1.044 weight 1.000 ! spec=HCHaro, no=114, id=9308, vol=1.170000e+07
assign (resid 70 and name HB1) (resid 32 and name HZ) 2.970 1.103 1.103 weight 1.000 ! spec=HCHaro, no=115, id=9309, vol=9.910000e+06
assign (resid 32 and name HZ) (resid 33 and name HG1) 3.174 1.259 1.259 weight 1.000 ! spec=HCHaro, no=116, id=9310, vol=6.660000e+06
assign (resid 31 and name HA) (resid 37 and name HD1) 3.083 1.188 1.188 weight 1.000 ! spec=HCHaro, no=117, id=9311, vol=7.930000e+06
assign (resid 35 and name HB1) (resid 37 and name HD1) 3.174 1.259 1.259 weight 1.000 ! spec=HCHaro, no=118, id=9312, vol=6.660000e+06
assign (resid 36 and name HA) (resid 37 and name HD1) 2.612 0.853 0.853 weight 1.000 ! spec=HCHaro, no=119, id=9313, vol=2.140000e+07
assign (resid 32 and name HB1) (resid 37 and name HD1) 2.940 1.081 1.081 weight 1.000 ! spec=HCHaro, no=124, id=9318, vol=1.050000e+07
assign (resid 37 and name HD1) (resid 35 and name HB2) 3.325 1.382 1.382 weight 1.000 ! spec=HCHaro, no=125, id=9319, vol=5.030000e+06
assign (resid 37 and name HD1) (resid 30 and name HN) 3.572 1.595 1.595 weight 1.000 ! spec=HCHaro, no=134, id=9328, vol=3.280000e+06
assign (resid 37 and name HD1) (resid 30 and name HB) 3.130 1.225 1.225 weight 1.000 ! spec=HCHaro, no=135, id=9329, vol=7.230000e+06
assign (resid 37 and name HN) (resid 37 and name HD1) 2.555 0.816 0.816 weight 1.000 ! spec=HCHaro, no=137, id=9331, vol=2.450000e+07
assign (resid 37 and name HB1) (resid 37 and name HD1) 2.451 0.751 0.751 weight 1.000 ! spec=HCHaro, no=139, id=9333, vol=3.140000e+07
assign (resid 37 and name HD1) (resid 74 and name HE1) 3.056 1.167 1.167 weight 1.000 ! spec=HCHaro, no=141, id=9335, vol=8.360000e+06
assign (resid 35 and name HB1) (resid 37 and name HE1) 2.726 0.929 0.929 weight 1.000 ! spec=HCHaro, no=147, id=9341, vol=1.660000e+07
assign (resid 32 and name HA) (resid 37 and name HE1) 3.207 1.285 1.285 weight 1.000 ! spec=HCHaro, no=148, id=9342, vol=6.260000e+06
assign (resid 35 and name HN) (resid 37 and name HE1) 3.423 1.465 1.465 weight 1.000 ! spec=HCHaro, no=150, id=9344, vol=4.230000e+06
assign (resid 37 and name HE1) (resid 74 and name HZ) 3.214 1.291 1.291 weight 1.000 ! spec=HCHaro, no=152, id=9346, vol=6.180000e+06
assign (resid 35 and name HB2) (resid 37 and name HE1) 3.010 1.133 1.133 weight 1.000 ! spec=HCHaro, no=155, id=9349, vol=9.150000e+06
assign (resid 37 and name HE1) (resid 31 and name HA) 3.178 1.262 1.262 weight 1.000 ! spec=HCHaro, no=160, id=9354, vol=6.610000e+06
assign (resid 32 and name HB2) (resid 37 and name HE1) 2.759 0.951 0.951 weight 1.000 ! spec=HCHaro, no=161, id=9355, vol=1.540000e+07
assign (resid 32 and name HB1) (resid 37 and name HE1) 2.501 0.782 0.782 weight 1.000 ! spec=HCHaro, no=162, id=9356, vol=2.780000e+07
assign (resid 37 and name HN) (resid 37 and name HE1) 3.286 1.350 1.350 weight 1.000 ! spec=HCHaro, no=164, id=9358, vol=5.400000e+06
assign (resid 37 and name HD1) (resid 37 and name HE1) 2.062 0.531 0.531 weight 1.000 ! spec=HCHaro, no=167, id=9361, vol=8.860000e+07
assign (resid 37 and name HE1) (resid 74 and name HE1) 3.113 1.212 1.212 weight 1.000 ! spec=HCHaro, no=169, id=9362, vol=7.470000e+06
assign (resid 37 and name HE1) (resid 154 and name HE2) 2.997 1.123 1.123 weight 1.000 ! spec=HCHaro, no=171, id=9364, vol=9.380000e+06
assign (resid 152 and name HB1) (resid 39 and name HD1) 3.206 1.285 1.285 weight 1.000 ! spec=HCHaro, no=174, id=9367, vol=6.270000e+06
assign (resid 152 and name HG) (resid 39 and name HD1) 3.325 1.382 1.382 weight 1.000 ! spec=HCHaro, no=175, id=9368, vol=5.040000e+06
assign (resid 152 and name HB2) (resid 39 and name HD1) 2.767 0.957 0.957 weight 1.000 ! spec=HCHaro, no=176, id=9369, vol=1.520000e+07
assign (resid 40 and name HN) (resid 39 and name HD1) 3.055 1.167 1.167 weight 1.000 ! spec=HCHaro, no=183, id=9375, vol=8.370000e+06
assign (resid 152 and name HA) (resid 39 and name HD1) 3.056 1.167 1.167 weight 1.000 ! spec=HCHaro, no=185, id=9377, vol=8.360000e+06
assign (resid 39 and name HZ) (resid 41 and name HG2) 3.031 1.149 1.149 weight 1.000 ! spec=HCHaro, no=189, id=9381, vol=8.770000e+06
assign (resid 39 and name HZ) (resid 79 and name HD12) 3.221 1.297 1.297 weight 1.000 ! spec=HCHaro, no=199, id=9391, vol=6.090000e+06
    or (resid 39 and name HZ) (resid 79 and name HD11)
    or (resid 39 and name HZ) (resid 79 and name HD13)
assign (resid 59 and name HD2) (resid 55 and name HA) 3.314 1.373 1.373 weight 1.000 ! spec=HCHaro, no=202, id=9394, vol=5.140000e+06
assign (resid 59 and name HD2) (resid 55 and name HB1) 3.430 1.471 1.471 weight 1.000 ! spec=HCHaro, no=204, id=9396, vol=4.180000e+06
assign (resid 59 and name HD2) (resid 40 and name HG) 3.544 1.570 1.570 weight 1.000 ! spec=HCHaro, no=205, id=9397, vol=3.430000e+06
assign (resid 59 and name HD2) (resid 38 and name HD12) 3.379 1.428 1.428 weight 1.000 ! spec=HCHaro, no=207, id=9399, vol=4.570000e+06
    or (resid 59 and name HD2) (resid 38 and name HD11)
    or (resid 59 and name HD2) (resid 38 and name HD13)
assign (resid 40 and name HD12) (resid 59 and name HD2) 2.913 1.061 1.061 weight 1.000 ! spec=HCHaro, no=208, id=9400, vol=1.110000e+07
    or (resid 40 and name HD11) (resid 59 and name HD2)
    or (resid 40 and name HD13) (resid 59 and name HD2)
assign (resid 40 and name HD22) (resid 59 and name HD2) 2.674 0.894 0.894 weight 1.000 ! spec=HCHaro, no=209, id=9401, vol=1.860000e+07
    or (resid 40 and name HD21) (resid 59 and name HD2)
    or (resid 40 and name HD23) (resid 59 and name HD2)
assign (resid 58 and name HB2) (resid 59 and name HD2) 3.203 1.282 1.282 weight 1.000 ! spec=HCHaro, no=210, id=9402, vol=6.310000e+06
assign (resid 59 and name HD2) (resid 58 and name HB1) 3.103 1.204 1.204 weight 1.000 ! spec=HCHaro, no=211, id=9403, vol=7.620000e+06
assign (resid 59 and name HD2) (resid 59 and name HB2) 2.852 1.017 1.017 weight 1.000 ! spec=HCHaro, no=212, id=9404, vol=1.270000e+07
assign (resid 59 and name HD2) (resid 59 and name HB1) 2.865 1.026 1.026 weight 1.000 ! spec=HCHaro, no=213, id=9405, vol=1.230000e+07
assign (resid 59 and name HE1) (resid 38 and name HD12) 3.653 1.668 1.668 weight 1.000 ! spec=HCHaro, no=222, id=9413, vol=2.870000e+06
    or (resid 59 and name HE1) (resid 38 and name HD11)
    or (resid 59 and name HE1) (resid 38 and name HD13)
assign (resid 67 and name HD2) (resid 104 and name HE1) 3.435 1.475 1.475 weight 1.000 ! spec=HCHaro, no=227, id=9417, vol=4.140000e+06
assign (resid 67 and name HB2) (resid 67 and name HD2) 3.227 1.302 1.302 weight 1.000 ! spec=HCHaro, no=230, id=9419, vol=6.020000e+06
assign (resid 67 and name HD2) (resid 65 and name HB2) 3.826 1.829 1.829 weight 1.000 ! spec=HCHaro, no=231, id=9420, vol=2.170000e+06
assign (resid 67 and name HD2) (resid 66 and name HG22) 3.504 1.534 1.534 weight 1.000 ! spec=HCHaro, no=232, id=9421, vol=3.680000e+06
    or (resid 67 and name HD2) (resid 66 and name HG21)
    or (resid 67 and name HD2) (resid 66 and name HG23)
assign (resid 67 and name HD2) (resid 66 and name HA) 3.792 1.797 1.797 weight 1.000 ! spec=HCHaro, no=234, id=9423, vol=2.290000e+06
assign (resid 67 and name HD2) (resid 67 and name HN) 3.503 1.534 1.534 weight 1.000 ! spec=HCHaro, no=235, id=9424, vol=3.680000e+06
assign (resid 67 and name HA) (resid 67 and name HD2) 3.164 1.251 1.251 weight 1.000 ! spec=HCHaro, no=236, id=9425, vol=6.780000e+06
assign (resid 67 and name HB1) (resid 67 and name HD2) 3.256 1.325 1.325 weight 1.000 ! spec=HCHaro, no=237, id=9426, vol=5.710000e+06
assign (resid 67 and name HE1) (resid 111 and name HG21) 3.529 1.557 1.557 weight 1.000 ! spec=HCHaro, no=239, id=9428, vol=3.530000e+06
    or (resid 67 and name HE1) (resid 111 and name HG22)
    or (resid 67 and name HE1) (resid 111 and name HG23)
assign (resid 67 and name HE1) (resid 104 and name HB2) 3.464 1.500 1.500 weight 1.000 ! spec=HCHaro, no=240, id=9429, vol=3.940000e+06
assign (resid 67 and name HE1) (resid 104 and name HD1) 3.112 1.211 1.211 weight 1.000 ! spec=HCHaro, no=244, id=9433, vol=7.490000e+06
assign (resid 104 and name HE1) (resid 67 and name HE1) 3.310 1.369 1.369 weight 1.000 ! spec=HCHaro, no=251, id=9439, vol=5.180000e+06
assign (resid 74 and name HD1) (resid 75 and name HA) 3.373 1.422 1.422 weight 1.000 ! spec=HCHaro, no=254, id=9442, vol=4.620000e+06
assign (resid 74 and name HD1) (resid 32 and name HB2) 3.524 1.552 1.552 weight 1.000 ! spec=HCHaro, no=255, id=9443, vol=3.560000e+06
assign (resid 74 and name HD1) (resid 32 and name HD1) 3.154 1.244 1.244 weight 1.000 ! spec=HCHaro, no=257, id=9445, vol=6.910000e+06
    or (resid 74 and name HD1) (resid 32 and name HD2)
assign (resid 71 and name HA) (resid 74 and name HD1) 3.384 1.432 1.432 weight 1.000 ! spec=HCHaro, no=259, id=9447, vol=4.530000e+06
assign (resid 74 and name HB2) (resid 74 and name HD1) 2.562 0.820 0.820 weight 1.000 ! spec=HCHaro, no=264, id=9452, vol=2.410000e+07
assign (resid 74 and name HB1) (resid 74 and name HD1) 2.576 0.830 0.830 weight 1.000 ! spec=HCHaro, no=265, id=9453, vol=2.330000e+07
assign (resid 74 and name HD1) (resid 74 and name HE1) 2.423 0.734 0.734 weight 1.000 ! spec=HCHaro, no=266, id=9454, vol=3.370000e+07
assign (resid 75 and name HG12) (resid 74 and name HD1) 3.103 1.204 1.204 weight 1.000 ! spec=HCHaro, no=268, id=9455, vol=7.620000e+06
assign (resid 75 and name HG11) (resid 74 and name HD1) 3.012 1.134 1.134 weight 1.000 ! spec=HCHaro, no=269, id=9456, vol=9.110000e+06
assign (resid 74 and name HE1) (resid 74 and name HB2) 3.163 1.250 1.250 weight 1.000 ! spec=HCHaro, no=270, id=9457, vol=6.800000e+06
assign (resid 74 and name HE1) (resid 78 and name HB) 3.626 1.644 1.644 weight 1.000 ! spec=HCHaro, no=274, id=9461, vol=2.990000e+06
assign (resid 74 and name HE1) (resid 37 and name HB2) 3.587 1.608 1.608 weight 1.000 ! spec=HCHaro, no=276, id=9463, vol=3.200000e+06
assign (resid 74 and name HE1) (resid 75 and name HA) 3.731 1.740 1.740 weight 1.000 ! spec=HCHaro, no=277, id=9464, vol=2.520000e+06
assign (resid 74 and name HE1) (resid 64 and name HG11) 3.670 1.684 1.684 weight 1.000 ! spec=HCHaro, no=278, id=9465, vol=2.790000e+06
assign (resid 74 and name HE2) (resid 30 and name HB) 3.596 1.617 1.617 weight 1.000 ! spec=HCHaro, no=279, id=9466, vol=3.150000e+06
assign (resid 32 and name HB2) (resid 74 and name HE1) 3.548 1.573 1.573 weight 1.000 ! spec=HCHaro, no=287, id=9474, vol=3.410000e+06
assign (resid 74 and name HE2) (resid 32 and name HB2) 3.398 1.444 1.444 weight 1.000 ! spec=HCHaro, no=288, id=9475, vol=4.420000e+06
assign (resid 74 and name HE2) (resid 74 and name HZ) 2.602 0.846 0.846 weight 1.000 ! spec=HCHaro, no=302, id=9487, vol=2.190000e+07
assign (resid 74 and name HZ) (resid 37 and name HB1) 3.173 1.258 1.258 weight 1.000 ! spec=HCHaro, no=306, id=9491, vol=6.670000e+06
assign (resid 74 and name HZ) (resid 37 and name HD1) 3.201 1.281 1.281 weight 1.000 ! spec=HCHaro, no=307, id=9492, vol=6.330000e+06
    or (resid 74 and name HZ) (resid 37 and name HD2)
assign (resid 74 and name HZ) (resid 30 and name HB) 2.936 1.078 1.078 weight 1.000 ! spec=HCHaro, no=309, id=9494, vol=1.060000e+07
assign (resid 74 and name HZ) (resid 37 and name HB2) 3.661 1.676 1.676 weight 1.000 ! spec=HCHaro, no=310, id=9495, vol=2.830000e+06
assign (resid 74 and name HZ) (resid 30 and name HD12) 2.929 1.072 1.072 weight 1.000 ! spec=HCHaro, no=312, id=9497, vol=1.080000e+07
    or (resid 74 and name HZ) (resid 30 and name HD11)
    or (resid 74 and name HZ) (resid 30 and name HD13)
assign (resid 30 and name HG22) (resid 74 and name HZ) 2.481 0.769 0.769 weight 1.000 ! spec=HCHaro, no=313, id=9498, vol=2.920000e+07
    or (resid 30 and name HG21) (resid 74 and name HZ)
    or (resid 30 and name HG23) (resid 74 and name HZ)
assign (resid 32 and name HB2) (resid 74 and name HZ) 3.217 1.293 1.293 weight 1.000 ! spec=HCHaro, no=314, id=9499, vol=6.140000e+06
assign (resid 74 and name HZ) (resid 32 and name HB1) 3.285 1.349 1.349 weight 1.000 ! spec=HCHaro, no=315, id=9500, vol=5.410000e+06
assign (resid 74 and name HE1) (resid 74 and name HZ) 2.070 0.536 0.536 weight 1.000 ! spec=HCHaro, no=317, id=9502, vol=8.650000e+07
assign (resid 83 and name HD1) (resid 82 and name HG2) 3.286 1.350 1.350 weight 1.000 ! spec=HCHaro, no=329, id=9513, vol=5.400000e+06
assign (resid 83 and name HE3) (resid 78 and name HG21) 3.726 1.735 1.735 weight 1.000 ! spec=HCHaro, no=338, id=9520, vol=2.540000e+06
    or (resid 83 and name HE3) (resid 78 and name HG22)
    or (resid 83 and name HE3) (resid 78 and name HG23)
assign (resid 83 and name HE3) (resid 83 and name HZ3) 2.780 0.966 0.966 weight 1.000 ! spec=HCHaro, no=341, id=9522, vol=1.470000e+07
assign (resid 83 and name HE3) (resid 83 and name HB2) 2.951 1.088 1.088 weight 1.000 ! spec=HCHaro, no=342, id=9523, vol=1.030000e+07
assign (resid 83 and name HH2) (resid 37 and name HD1) 2.865 1.026 1.026 weight 1.000 ! spec=HCHaro, no=350, id=9531, vol=1.230000e+07
    or (resid 83 and name HH2) (resid 37 and name HD2)
assign (resid 83 and name HH2) (resid 79 and name HD12) 3.505 1.536 1.536 weight 1.000 ! spec=HCHaro, no=351, id=9532, vol=3.670000e+06
    or (resid 83 and name HH2) (resid 79 and name HD11)
    or (resid 83 and name HH2) (resid 79 and name HD13)
assign (resid 38 and name HD12) (resid 83 and name HZ2) 3.661 1.675 1.675 weight 1.000 ! spec=HCHaro, no=369, id=9549, vol=2.830000e+06
    or (resid 38 and name HD11) (resid 83 and name HZ2)
    or (resid 38 and name HD13) (resid 83 and name HZ2)
assign (resid 38 and name HA) (resid 83 and name HZ2) 3.053 1.165 1.165 weight 1.000 ! spec=HCHaro, no=370, id=9550, vol=8.410000e+06
assign (resid 30 and name HN) (resid 83 and name HZ2) 3.632 1.649 1.649 weight 1.000 ! spec=HCHaro, no=371, id=9551, vol=2.960000e+06
assign (resid 40 and name HD12) (resid 83 and name HZ2) 3.712 1.722 1.722 weight 1.000 ! spec=HCHaro, no=376, id=9556, vol=2.600000e+06
    or (resid 40 and name HD11) (resid 83 and name HZ2)
    or (resid 40 and name HD13) (resid 83 and name HZ2)
assign (resid 83 and name HZ2) (resid 29 and name HA) 3.478 1.512 1.512 weight 1.000 ! spec=HCHaro, no=379, id=9559, vol=3.840000e+06
assign (resid 83 and name HZ2) (resid 30 and name HG12) 3.060 1.171 1.171 weight 1.000 ! spec=HCHaro, no=381, id=9561, vol=8.290000e+06
assign (resid 30 and name HG11) (resid 83 and name HZ2) 3.037 1.153 1.153 weight 1.000 ! spec=HCHaro, no=382, id=9562, vol=8.680000e+06
assign (resid 30 and name HD12) (resid 83 and name HZ2) 2.701 0.912 0.912 weight 1.000 ! spec=HCHaro, no=383, id=9563, vol=1.750000e+07
    or (resid 30 and name HD11) (resid 83 and name HZ2)
    or (resid 30 and name HD13) (resid 83 and name HZ2)
assign (resid 83 and name HZ2) (resid 37 and name HB2) 3.328 1.384 1.384 weight 1.000 ! spec=HCHaro, no=385, id=9565, vol=5.010000e+06
assign (resid 83 and name HZ2) (resid 37 and name HB1) 3.207 1.285 1.285 weight 1.000 ! spec=HCHaro, no=386, id=9566, vol=6.260000e+06
assign (resid 83 and name HZ2) (resid 38 and name HG11) 3.291 1.353 1.353 weight 1.000 ! spec=HCHaro, no=387, id=9567, vol=5.360000e+06
assign (resid 83 and name HZ2) (resid 78 and name HG21) 3.322 1.379 1.379 weight 1.000 ! spec=HCHaro, no=388, id=9568, vol=5.070000e+06
    or (resid 83 and name HZ2) (resid 78 and name HG22)
    or (resid 83 and name HZ2) (resid 78 and name HG23)
assign (resid 83 and name HE1) (resid 83 and name HZ2) 2.562 0.820 0.820 weight 1.000 ! spec=HCHaro, no=390, id=9570, vol=2.410000e+07
assign (resid 83 and name HZ3) (resid 79 and name HD12) 3.679 1.691 1.691 weight 1.000 ! spec=HCHaro, no=394, id=9573, vol=2.750000e+06
    or (resid 83 and name HZ3) (resid 79 and name HD11)
    or (resid 83 and name HZ3) (resid 79 and name HD13)
assign (resid 83 and name HZ3) (resid 30 and name HD12) 3.082 1.187 1.187 weight 1.000 ! spec=HCHaro, no=395, id=9574, vol=7.950000e+06
    or (resid 83 and name HZ3) (resid 30 and name HD11)
    or (resid 83 and name HZ3) (resid 30 and name HD13)
assign (resid 83 and name HZ2) (resid 83 and name HZ3) 3.439 1.478 1.478 weight 1.000 ! spec=HCHaro, no=396, id=9575, vol=4.120000e+06
assign (resid 93 and name HN) (resid 94 and name HD1) 3.425 1.466 1.466 weight 1.000 ! spec=HCHaro, no=399, id=9578, vol=4.220000e+06
assign (resid 94 and name HD1) (resid 103 and name HA) 3.718 1.728 1.728 weight 1.000 ! spec=HCHaro, no=405, id=9583, vol=2.580000e+06
assign (resid 94 and name HD1) (resid 105 and name HA) 2.645 0.875 0.875 weight 1.000 ! spec=HCHaro, no=410, id=9588, vol=1.990000e+07
assign (resid 94 and name HD1) (resid 105 and name HB1) 3.566 1.590 1.590 weight 1.000 ! spec=HCHaro, no=413, id=9591, vol=3.310000e+06
assign (resid 94 and name HN) (resid 94 and name HD1) 2.497 0.779 0.779 weight 1.000 ! spec=HCHaro, no=415, id=9593, vol=2.810000e+07
assign (resid 94 and name HB2) (resid 94 and name HD1) 2.336 0.682 0.682 weight 1.000 ! spec=HCHaro, no=417, id=9595, vol=4.190000e+07
assign (resid 94 and name HD1) (resid 94 and name HE1) 2.060 0.530 0.530 weight 1.000 ! spec=HCHaro, no=420, id=9597, vol=8.920000e+07
assign (resid 94 and name HD1) (resid 103 and name HN) 3.492 1.524 1.524 weight 1.000 ! spec=HCHaro, no=423, id=9600, vol=3.760000e+06
assign (resid 103 and name HB2) (resid 94 and name HD1) 3.335 1.391 1.391 weight 1.000 ! spec=HCHaro, no=424, id=9601, vol=4.940000e+06
assign (resid 103 and name HB2) (resid 94 and name HE1) 3.252 1.322 1.322 weight 1.000 ! spec=HCHaro, no=427, id=9604, vol=5.760000e+06
assign (resid 94 and name HE1) (resid 105 and name HA) 2.719 0.924 0.924 weight 1.000 ! spec=HCHaro, no=431, id=9608, vol=1.680000e+07
assign (resid 94 and name HE1) (resid 94 and name HZ) 2.141 0.573 0.573 weight 1.000 ! spec=HCHaro, no=432, id=9609, vol=7.070000e+07
assign (resid 94 and name HZ) (resid 96 and name HB2) 3.383 1.431 1.431 weight 1.000 ! spec=HCHaro, no=435, id=9612, vol=4.540000e+06
assign (resid 103 and name HB2) (resid 94 and name HZ) 3.415 1.458 1.458 weight 1.000 ! spec=HCHaro, no=439, id=9615, vol=4.290000e+06
assign (resid 94 and name HD1) (resid 94 and name HZ) 2.887 1.042 1.042 weight 1.000 ! spec=HCHaro, no=441, id=9616, vol=1.180000e+07
assign (resid 103 and name HD2) (resid 94 and name HZ) 2.925 1.069 1.069 weight 1.000 ! spec=HCHaro, no=442, id=9617, vol=1.090000e+07
assign (resid 94 and name HZ) (resid 105 and name HA) 3.127 1.222 1.222 weight 1.000 ! spec=HCHaro, no=444, id=9619, vol=7.280000e+06
assign (resid 124 and name HD22) (resid 95 and name HD1) 3.229 1.304 1.304 weight 1.000 ! spec=HCHaro, no=449, id=9623, vol=6.000000e+06
    or (resid 124 and name HD21) (resid 95 and name HD1)
    or (resid 124 and name HD23) (resid 95 and name HD1)
assign (resid 102 and name HA) (resid 95 and name HD1) 2.897 1.049 1.049 weight 1.000 ! spec=HCHaro, no=456, id=9630, vol=1.150000e+07
assign (resid 95 and name HA) (resid 95 and name HD1) 2.297 0.659 0.659 weight 1.000 ! spec=HCHaro, no=457, id=9631, vol=4.640000e+07
assign (resid 102 and name HN) (resid 95 and name HD1) 3.001 1.126 1.126 weight 1.000 ! spec=HCHaro, no=461, id=9635, vol=9.310000e+06
assign (resid 95 and name HB2) (resid 95 and name HD1) 2.353 0.692 0.692 weight 1.000 ! spec=HCHaro, no=468, id=9640, vol=4.010000e+07
assign (resid 96 and name HN) (resid 95 and name HD1) 2.906 1.055 1.055 weight 1.000 ! spec=HCHaro, no=472, id=9643, vol=1.130000e+07
assign (resid 95 and name HD1) (resid 102 and name HZ) 3.342 1.396 1.396 weight 1.000 ! spec=HCHaro, no=474, id=9645, vol=4.890000e+06
assign (resid 95 and name HD1) (resid 102 and name HD1) 2.661 0.885 0.885 weight 1.000 ! spec=HCHaro, no=475, id=9646, vol=1.920000e+07
assign (resid 100 and name HN) (resid 95 and name HE1) 3.286 1.350 1.350 weight 1.000 ! spec=HCHaro, no=481, id=9652, vol=5.410000e+06
assign (resid 101 and name HN) (resid 95 and name HE1) 2.787 0.971 0.971 weight 1.000 ! spec=HCHaro, no=486, id=9656, vol=1.450000e+07
assign (resid 95 and name HE1) (resid 102 and name HZ) 3.381 1.429 1.429 weight 1.000 ! spec=HCHaro, no=487, id=9657, vol=4.550000e+06
assign (resid 100 and name HA) (resid 95 and name HE1) 2.819 0.993 0.993 weight 1.000 ! spec=HCHaro, no=488, id=9658, vol=1.360000e+07
assign (resid 95 and name HD1) (resid 95 and name HE1) 1.947 0.474 0.474 weight 1.000 ! spec=HCHaro, no=498, id=9668, vol=1.250000e+08
assign (resid 96 and name HN) (resid 95 and name HE1) 3.508 1.538 1.538 weight 1.000 ! spec=HCHaro, no=500, id=9669, vol=3.660000e+06
assign (resid 95 and name HE1) (resid 102 and name HN) 3.122 1.218 1.218 weight 1.000 ! spec=HCHaro, no=503, id=9672, vol=7.350000e+06
assign (resid 124 and name HD22) (resid 95 and name HE1) 2.800 0.980 0.980 weight 1.000 ! spec=HCHaro, no=505, id=9674, vol=1.410000e+07
    or (resid 124 and name HD21) (resid 95 and name HE1)
    or (resid 124 and name HD23) (resid 95 and name HE1)
assign (resid 95 and name HA) (resid 102 and name HD1) 3.092 1.195 1.195 weight 1.000 ! spec=HCHaro, no=509, id=9678, vol=7.790000e+06
assign (resid 102 and name HD1) (resid 95 and name HB2) 3.175 1.260 1.260 weight 1.000 ! spec=HCHaro, no=515, id=9684, vol=6.640000e+06
assign (resid 102 and name HB2) (resid 102 and name HD1) 2.596 0.843 0.843 weight 1.000 ! spec=HCHaro, no=520, id=9689, vol=2.220000e+07
assign (resid 102 and name HB1) (resid 102 and name HD1) 2.635 0.868 0.868 weight 1.000 ! spec=HCHaro, no=521, id=9690, vol=2.030000e+07
assign (resid 102 and name HD1) (resid 124 and name HD22) 3.465 1.500 1.500 weight 1.000 ! spec=HCHaro, no=524, id=9692, vol=3.940000e+06
    or (resid 102 and name HD1) (resid 124 and name HD21)
    or (resid 102 and name HD1) (resid 124 and name HD23)
assign (resid 95 and name HB2) (resid 102 and name HE1) 3.084 1.189 1.189 weight 1.000 ! spec=HCHaro, no=525, id=9693, vol=7.910000e+06
assign (resid 124 and name HD22) (resid 102 and name HE1) 2.751 0.946 0.946 weight 1.000 ! spec=HCHaro, no=529, id=9697, vol=1.570000e+07
    or (resid 124 and name HD21) (resid 102 and name HE1)
    or (resid 124 and name HD23) (resid 102 and name HE1)
assign (resid 102 and name HE1) (resid 95 and name HD1) 3.240 1.313 1.313 weight 1.000 ! spec=HCHaro, no=535, id=9703, vol=5.880000e+06
assign (resid 102 and name HE1) (resid 102 and name HA) 3.301 1.362 1.362 weight 1.000 ! spec=HCHaro, no=537, id=9705, vol=5.260000e+06
assign (resid 124 and name HD22) (resid 102 and name HZ) 2.851 1.016 1.016 weight 1.000 ! spec=HCHaro, no=542, id=9709, vol=1.270000e+07
    or (resid 124 and name HD21) (resid 102 and name HZ)
    or (resid 124 and name HD23) (resid 102 and name HZ)
assign (resid 102 and name HZ) (resid 95 and name HB2) 3.421 1.463 1.463 weight 1.000 ! spec=HCHaro, no=547, id=9714, vol=4.240000e+06
assign (resid 102 and name HZ) (resid 140 and name HE2) 3.257 1.326 1.326 weight 1.000 ! spec=HCHaro, no=551, id=9717, vol=5.700000e+06
assign (resid 140 and name HD2) (resid 102 and name HZ) 2.907 1.056 1.056 weight 1.000 ! spec=HCHaro, no=553, id=9719, vol=1.130000e+07
assign (resid 110 and name HG1) (resid 104 and name HD1) 3.282 1.346 1.346 weight 1.000 ! spec=HCHaro, no=554, id=9720, vol=5.450000e+06
assign (resid 110 and name HA) (resid 104 and name HD1) 2.881 1.037 1.037 weight 1.000 ! spec=HCHaro, no=558, id=9724, vol=1.190000e+07
assign (resid 104 and name HN) (resid 104 and name HD1) 2.728 0.930 0.930 weight 1.000 ! spec=HCHaro, no=562, id=9728, vol=1.650000e+07
assign (resid 104 and name HA) (resid 104 and name HD1) 3.428 1.469 1.469 weight 1.000 ! spec=HCHaro, no=563, id=9729, vol=4.190000e+06
assign (resid 104 and name HB2) (resid 104 and name HD1) 2.638 0.870 0.870 weight 1.000 ! spec=HCHaro, no=564, id=9730, vol=2.020000e+07
assign (resid 104 and name HB1) (resid 104 and name HD1) 2.913 1.061 1.061 weight 1.000 ! spec=HCHaro, no=565, id=9731, vol=1.110000e+07
assign (resid 104 and name HE1) (resid 104 and name HD1) 2.435 0.741 0.741 weight 1.000 ! spec=HCHaro, no=567, id=9732, vol=3.260000e+07
assign (resid 104 and name HD1) (resid 110 and name HB2) 3.030 1.147 1.147 weight 1.000 ! spec=HCHaro, no=568, id=9733, vol=8.800000e+06
assign (resid 104 and name HD1) (resid 110 and name HB1) 3.372 1.422 1.422 weight 1.000 ! spec=HCHaro, no=569, id=9734, vol=4.630000e+06
assign (resid 104 and name HE3) (resid 65 and name HA) 3.469 1.504 1.504 weight 1.000 ! spec=HCHaro, no=570, id=9735, vol=3.910000e+06
assign (resid 93 and name HB2) (resid 104 and name HE3) 3.581 1.603 1.603 weight 1.000 ! spec=HCHaro, no=571, id=9736, vol=3.230000e+06
assign (resid 104 and name HE3) (resid 91 and name HD12) 3.756 1.763 1.763 weight 1.000 ! spec=HCHaro, no=574, id=9739, vol=2.420000e+06
    or (resid 104 and name HE3) (resid 91 and name HD11)
    or (resid 104 and name HE3) (resid 91 and name HD13)
assign (resid 104 and name HE3) (resid 64 and name HG22) 3.422 1.464 1.464 weight 1.000 ! spec=HCHaro, no=576, id=9741, vol=4.240000e+06
    or (resid 104 and name HE3) (resid 64 and name HG21)
    or (resid 104 and name HE3) (resid 64 and name HG23)
assign (resid 104 and name HA) (resid 104 and name HE3) 2.859 1.022 1.022 weight 1.000 ! spec=HCHaro, no=577, id=9742, vol=1.250000e+07
assign (resid 104 and name HB2) (resid 104 and name HE3) 3.534 1.561 1.561 weight 1.000 ! spec=HCHaro, no=578, id=9743, vol=3.500000e+06
assign (resid 104 and name HB1) (resid 104 and name HE3) 3.601 1.621 1.621 weight 1.000 ! spec=HCHaro, no=579, id=9744, vol=3.120000e+06
assign (resid 92 and name HN) (resid 104 and name HH2) 3.636 1.653 1.653 weight 1.000 ! spec=HCHaro, no=583, id=9747, vol=2.940000e+06
assign (resid 66 and name HG22) (resid 104 and name HH2) 3.564 1.588 1.588 weight 1.000 ! spec=HCHaro, no=584, id=9748, vol=3.320000e+06
    or (resid 66 and name HG21) (resid 104 and name HH2)
    or (resid 66 and name HG23) (resid 104 and name HH2)
assign (resid 104 and name HH2) (resid 65 and name HA) 3.639 1.656 1.656 weight 1.000 ! spec=HCHaro, no=586, id=9750, vol=2.930000e+06
assign (resid 66 and name HG11) (resid 104 and name HH2) 3.169 1.255 1.255 weight 1.000 ! spec=HCHaro, no=588, id=9752, vol=6.720000e+06
assign (resid 104 and name HH2) (resid 104 and name HZ3) 3.029 1.147 1.147 weight 1.000 ! spec=HCHaro, no=594, id=9757, vol=8.820000e+06
assign (resid 104 and name HZ2) (resid 138 and name HE3) 3.534 1.561 1.561 weight 1.000 ! spec=HCHaro, no=600, id=9763, vol=3.490000e+06
assign (resid 66 and name HG11) (resid 104 and name HZ2) 3.103 1.203 1.203 weight 1.000 ! spec=HCHaro, no=601, id=9764, vol=7.630000e+06
assign (resid 66 and name HB) (resid 104 and name HZ2) 3.058 1.169 1.169 weight 1.000 ! spec=HCHaro, no=604, id=9767, vol=8.320000e+06
assign (resid 113 and name HA) (resid 104 and name HZ2) 3.507 1.538 1.538 weight 1.000 ! spec=HCHaro, no=606, id=9769, vol=3.660000e+06
assign (resid 66 and name HN) (resid 104 and name HZ2) 2.729 0.931 0.931 weight 1.000 ! spec=HCHaro, no=607, id=9770, vol=1.650000e+07
assign (resid 104 and name HZ2) (resid 66 and name HG22) 3.398 1.443 1.443 weight 1.000 ! spec=HCHaro, no=608, id=9771, vol=4.420000e+06
    or (resid 104 and name HZ2) (resid 66 and name HG21)
    or (resid 104 and name HZ2) (resid 66 and name HG23)
assign (resid 91 and name HD22) (resid 104 and name HZ2) 3.485 1.518 1.518 weight 1.000 ! spec=HCHaro, no=609, id=9772, vol=3.800000e+06
    or (resid 91 and name HD21) (resid 104 and name HZ2)
    or (resid 91 and name HD23) (resid 104 and name HZ2)
assign (resid 104 and name HE1) (resid 104 and name HZ2) 2.949 1.087 1.087 weight 1.000 ! spec=HCHaro, no=610, id=9773, vol=1.030000e+07
assign (resid 104 and name HH2) (resid 104 and name HZ2) 2.571 0.826 0.826 weight 1.000 ! spec=HCHaro, no=611, id=9774, vol=2.360000e+07
assign (resid 104 and name HZ2) (resid 104 and name HZ3) 3.401 1.446 1.446 weight 1.000 ! spec=HCHaro, no=613, id=9775, vol=4.400000e+06
assign (resid 104 and name HZ2) (resid 138 and name HH2) 2.580 0.832 0.832 weight 1.000 ! spec=HCHaro, no=615, id=9777, vol=2.310000e+07
assign (resid 104 and name HZ2) (resid 138 and name HZ2) 3.075 1.182 1.182 weight 1.000 ! spec=HCHaro, no=616, id=9778, vol=8.050000e+06
assign (resid 104 and name HZ2) (resid 138 and name HZ3) 3.020 1.140 1.140 weight 1.000 ! spec=HCHaro, no=617, id=9779, vol=8.960000e+06
assign (resid 91 and name HB2) (resid 104 and name HZ3) 3.089 1.193 1.193 weight 1.000 ! spec=HCHaro, no=620, id=9782, vol=7.840000e+06
assign (resid 93 and name HN) (resid 104 and name HZ3) 3.504 1.534 1.534 weight 1.000 ! spec=HCHaro, no=623, id=9785, vol=3.680000e+06
assign (resid 105 and name HD1) (resid 104 and name HA) 3.455 1.492 1.492 weight 1.000 ! spec=HCHaro, no=627, id=9789, vol=4.000000e+06
assign (resid 105 and name HD1) (resid 49 and name HG11) 3.427 1.468 1.468 weight 1.000 ! spec=HCHaro, no=628, id=9790, vol=4.200000e+06
assign (resid 63 and name HB2) (resid 105 and name HD1) 3.160 1.248 1.248 weight 1.000 ! spec=HCHaro, no=629, id=9791, vol=6.830000e+06
assign (resid 92 and name HA2) (resid 105 and name HD1) 3.044 1.158 1.158 weight 1.000 ! spec=HCHaro, no=633, id=9795, vol=8.560000e+06
assign (resid 105 and name HD1) (resid 63 and name HN) 3.822 1.826 1.826 weight 1.000 ! spec=HCHaro, no=634, id=9796, vol=2.180000e+06
assign (resid 105 and name HD1) (resid 49 and name HD12) 3.003 1.127 1.127 weight 1.000 ! spec=HCHaro, no=635, id=9797, vol=9.290000e+06
    or (resid 105 and name HD1) (resid 49 and name HD11)
    or (resid 105 and name HD1) (resid 49 and name HD13)
assign (resid 92 and name HA1) (resid 105 and name HD1) 2.964 1.098 1.098 weight 1.000 ! spec=HCHaro, no=638, id=9800, vol=1.000000e+07
assign (resid 93 and name HN) (resid 105 and name HD1) 3.162 1.250 1.250 weight 1.000 ! spec=HCHaro, no=639, id=9801, vol=6.810000e+06
assign (resid 105 and name HD1) (resid 94 and name HD1) 3.282 1.346 1.346 weight 1.000 ! spec=HCHaro, no=641, id=9803, vol=5.450000e+06
assign (resid 105 and name HB2) (resid 105 and name HD1) 2.731 0.932 0.932 weight 1.000 ! spec=HCHaro, no=643, id=9805, vol=1.640000e+07
assign (resid 105 and name HB1) (resid 105 and name HD1) 2.833 1.004 1.004 weight 1.000 ! spec=HCHaro, no=644, id=9806, vol=1.320000e+07
assign (resid 105 and name HD1) (resid 105 and name HE1) 2.045 0.523 0.523 weight 1.000 ! spec=HCHaro, no=646, id=9807, vol=9.300000e+07
assign (resid 105 and name HE1) (resid 49 and name HG22) 2.691 0.905 0.905 weight 1.000 ! spec=HCHaro, no=648, id=9809, vol=1.790000e+07
    or (resid 105 and name HE1) (resid 49 and name HG21)
    or (resid 105 and name HE1) (resid 49 and name HG23)
assign (resid 105 and name HE1) (resid 63 and name HE2) 3.300 1.361 1.361 weight 1.000 ! spec=HCHaro, no=649, id=9810, vol=5.270000e+06
    or (resid 105 and name HE1) (resid 63 and name HE1)
    or (resid 105 and name HE1) (resid 63 and name HE3)
assign (resid 105 and name HE1) (resid 94 and name HB2) 3.151 1.241 1.241 weight 1.000 ! spec=HCHaro, no=650, id=9811, vol=6.950000e+06
assign (resid 105 and name HE1) (resid 94 and name HD1) 3.632 1.649 1.649 weight 1.000 ! spec=HCHaro, no=651, id=9812, vol=2.970000e+06
assign (resid 49 and name HB) (resid 105 and name HZ) 3.575 1.598 1.598 weight 1.000 ! spec=HCHaro, no=653, id=9813, vol=3.260000e+06
assign (resid 105 and name HZ) (resid 94 and name HA) 3.682 1.695 1.695 weight 1.000 ! spec=HCHaro, no=657, id=9817, vol=2.730000e+06
assign (resid 105 and name HZ) (resid 94 and name HB2) 3.017 1.137 1.137 weight 1.000 ! spec=HCHaro, no=658, id=9818, vol=9.030000e+06
assign (resid 94 and name HB1) (resid 105 and name HZ) 3.170 1.256 1.256 weight 1.000 ! spec=HCHaro, no=659, id=9819, vol=6.710000e+06
assign (resid 69 and name HN) (resid 112 and name HD1) 3.271 1.337 1.337 weight 1.000 ! spec=HCHaro, no=665, id=9824, vol=5.560000e+06
assign (resid 72 and name HB2) (resid 112 and name HD1) 3.092 1.195 1.195 weight 1.000 ! spec=HCHaro, no=667, id=9826, vol=7.790000e+06
assign (resid 112 and name HD1) (resid 112 and name HA) 2.881 1.038 1.038 weight 1.000 ! spec=HCHaro, no=678, id=9837, vol=1.190000e+07
assign (resid 112 and name HB1) (resid 112 and name HD1) 3.094 1.196 1.196 weight 1.000 ! spec=HCHaro, no=679, id=9838, vol=7.760000e+06
assign (resid 72 and name HN) (resid 112 and name HE1) 3.396 1.441 1.441 weight 1.000 ! spec=HCHaro, no=692, id=9850, vol=4.440000e+06
assign (resid 115 and name HD1) (resid 113 and name HB2) 2.670 0.891 0.891 weight 1.000 ! spec=HCHaro, no=694, id=9852, vol=1.880000e+07
assign (resid 113 and name HB1) (resid 115 and name HD1) 2.739 0.938 0.938 weight 1.000 ! spec=HCHaro, no=695, id=9853, vol=1.610000e+07
assign (resid 115 and name HN) (resid 115 and name HD1) 2.630 0.864 0.864 weight 1.000 ! spec=HCHaro, no=698, id=9856, vol=2.060000e+07
assign (resid 115 and name HA) (resid 115 and name HD1) 3.215 1.292 1.292 weight 1.000 ! spec=HCHaro, no=699, id=9857, vol=6.160000e+06
assign (resid 115 and name HB2) (resid 115 and name HD1) 2.362 0.697 0.697 weight 1.000 ! spec=HCHaro, no=700, id=9858, vol=3.920000e+07
assign (resid 115 and name HB1) (resid 115 and name HD1) 2.534 0.803 0.803 weight 1.000 ! spec=HCHaro, no=701, id=9859, vol=2.570000e+07
assign (resid 115 and name HE1) (resid 115 and name HD1) 2.121 0.562 0.562 weight 1.000 ! spec=HCHaro, no=703, id=9860, vol=7.470000e+07
assign (resid 115 and name HE3) (resid 115 and name HZ3) 2.763 0.954 0.954 weight 1.000 ! spec=HCHaro, no=713, id=9870, vol=1.530000e+07
assign (resid 115 and name HE3) (resid 140 and name HG2) 3.760 1.767 1.767 weight 1.000 ! spec=HCHaro, no=715, id=9872, vol=2.410000e+06
assign (resid 140 and name HG1) (resid 115 and name HE3) 3.515 1.544 1.544 weight 1.000 ! spec=HCHaro, no=716, id=9873, vol=3.610000e+06
assign (resid 115 and name HE3) (resid 115 and name HH2) 3.280 1.345 1.345 weight 1.000 ! spec=HCHaro, no=719, id=9876, vol=5.470000e+06
assign (resid 115 and name HH2) (resid 110 and name HE2) 3.710 1.721 1.721 weight 1.000 ! spec=HCHaro, no=721, id=9878, vol=2.610000e+06
    or (resid 115 and name HH2) (resid 110 and name HE1)
    or (resid 115 and name HH2) (resid 110 and name HE3)
assign (resid 129 and name HB2) (resid 115 and name HH2) 2.262 0.639 0.639 weight 1.000 ! spec=HCHaro, no=725, id=9882, vol=5.090000e+07
    or (resid 129 and name HB1) (resid 115 and name HH2)
    or (resid 129 and name HB3) (resid 115 and name HH2)
assign (resid 140 and name HN) (resid 115 and name HH2) 3.703 1.714 1.714 weight 1.000 ! spec=HCHaro, no=726, id=9883, vol=2.640000e+06
assign (resid 91 and name HD22) (resid 115 and name HH2) 3.419 1.461 1.461 weight 1.000 ! spec=HCHaro, no=728, id=9885, vol=4.260000e+06
    or (resid 91 and name HD21) (resid 115 and name HH2)
    or (resid 91 and name HD23) (resid 115 and name HH2)
assign (resid 115 and name HH2) (resid 93 and name HG2) 3.420 1.462 1.462 weight 1.000 ! spec=HCHaro, no=729, id=9886, vol=4.250000e+06
assign (resid 115 and name HH2) (resid 102 and name HB2) 3.720 1.730 1.730 weight 1.000 ! spec=HCHaro, no=730, id=9887, vol=2.570000e+06
assign (resid 115 and name HH2) (resid 102 and name HB1) 3.675 1.688 1.688 weight 1.000 ! spec=HCHaro, no=731, id=9888, vol=2.770000e+06
assign (resid 115 and name HH2) (resid 102 and name HE1) 3.118 1.215 1.215 weight 1.000 ! spec=HCHaro, no=732, id=9889, vol=7.410000e+06
assign (resid 115 and name HE1) (resid 115 and name HH2) 3.661 1.675 1.675 weight 1.000 ! spec=HCHaro, no=733, id=9890, vol=2.830000e+06
assign (resid 140 and name HG2) (resid 115 and name HH2) 3.066 1.175 1.175 weight 1.000 ! spec=HCHaro, no=736, id=9892, vol=8.190000e+06
assign (resid 115 and name HZ2) (resid 110 and name HE2) 3.721 1.731 1.731 weight 1.000 ! spec=HCHaro, no=737, id=9893, vol=2.560000e+06
    or (resid 115 and name HZ2) (resid 110 and name HE1)
    or (resid 115 and name HZ2) (resid 110 and name HE3)
assign (resid 115 and name HZ2) (resid 140 and name HG2) 3.116 1.214 1.214 weight 1.000 ! spec=HCHaro, no=741, id=9897, vol=7.430000e+06
assign (resid 115 and name HZ2) (resid 113 and name HB1) 3.611 1.630 1.630 weight 1.000 ! spec=HCHaro, no=742, id=9898, vol=3.070000e+06
assign (resid 102 and name HB2) (resid 115 and name HZ2) 3.110 1.209 1.209 weight 1.000 ! spec=HCHaro, no=743, id=9899, vol=7.520000e+06
assign (resid 102 and name HB1) (resid 115 and name HZ2) 3.283 1.347 1.347 weight 1.000 ! spec=HCHaro, no=744, id=9900, vol=5.440000e+06
assign (resid 115 and name HZ2) (resid 93 and name HE2) 3.302 1.363 1.363 weight 1.000 ! spec=HCHaro, no=745, id=9901, vol=5.260000e+06
    or (resid 115 and name HZ2) (resid 93 and name HE1)
    or (resid 115 and name HZ2) (resid 93 and name HE3)
assign (resid 115 and name HZ2) (resid 93 and name HG2) 3.507 1.538 1.538 weight 1.000 ! spec=HCHaro, no=746, id=9902, vol=3.660000e+06
assign (resid 115 and name HE1) (resid 115 and name HZ2) 2.532 0.801 0.801 weight 1.000 ! spec=HCHaro, no=748, id=9904, vol=2.580000e+07
assign (resid 115 and name HZ2) (resid 115 and name HE3) 3.690 1.702 1.702 weight 1.000 ! spec=HCHaro, no=749, id=9905, vol=2.700000e+06
assign (resid 115 and name HH2) (resid 115 and name HZ2) 2.114 0.559 0.559 weight 1.000 ! spec=HCHaro, no=750, id=9906, vol=7.630000e+07
assign (resid 115 and name HZ2) (resid 138 and name HE3) 3.416 1.459 1.459 weight 1.000 ! spec=HCHaro, no=752, id=9907, vol=4.280000e+06
assign (resid 140 and name HA) (resid 115 and name HZ3) 3.631 1.648 1.648 weight 1.000 ! spec=HCHaro, no=759, id=9914, vol=2.970000e+06
assign (resid 129 and name HB2) (resid 115 and name HZ3) 3.051 1.164 1.164 weight 1.000 ! spec=HCHaro, no=761, id=9916, vol=8.440000e+06
    or (resid 129 and name HB1) (resid 115 and name HZ3)
    or (resid 129 and name HB3) (resid 115 and name HZ3)
assign (resid 115 and name HH2) (resid 115 and name HZ3) 2.798 0.979 0.979 weight 1.000 ! spec=HCHaro, no=768, id=9923, vol=1.420000e+07
assign (resid 115 and name HZ3) (resid 139 and name HA) 3.477 1.511 1.511 weight 1.000 ! spec=HCHaro, no=770, id=9924, vol=3.850000e+06
assign (resid 130 and name HD1) (resid 130 and name HE1) 2.058 0.529 0.529 weight 1.000 ! spec=HCHaro, no=773, id=9927, vol=8.970000e+07
    or (resid 130 and name HD1) (resid 130 and name HE2)
assign (resid 130 and name HA) (resid 130 and name HD1) 3.160 1.248 1.248 weight 1.000 ! spec=HCHaro, no=778, id=9932, vol=6.840000e+06
assign (resid 90 and name HD12) (resid 130 and name HD1) 3.420 1.462 1.462 weight 1.000 ! spec=HCHaro, no=779, id=9933, vol=4.250000e+06
    or (resid 90 and name HD11) (resid 130 and name HD1)
    or (resid 90 and name HD13) (resid 130 and name HD1)
assign (resid 130 and name HD1) (resid 130 and name HN) 2.866 1.027 1.027 weight 1.000 ! spec=HCHaro, no=781, id=9935, vol=1.230000e+07
assign (resid 130 and name HD1) (resid 130 and name HE1) 2.316 0.671 0.671 weight 1.000 ! spec=HCHaro, no=799, id=9952, vol=4.410000e+07
assign (resid 145 and name HG22) (resid 130 and name HZ) 3.037 1.153 1.153 weight 1.000 ! spec=HCHaro, no=803, id=9956, vol=8.670000e+06
    or (resid 145 and name HG21) (resid 130 and name HZ)
    or (resid 145 and name HG23) (resid 130 and name HZ)
assign (resid 128 and name HB2) (resid 130 and name HZ) 3.161 1.249 1.249 weight 1.000 ! spec=HCHaro, no=804, id=9957, vol=6.830000e+06
    or (resid 130 and name HZ) (resid 128 and name HB1)
assign (resid 130 and name HZ) (resid 130 and name HD1) 3.110 1.209 1.209 weight 1.000 ! spec=HCHaro, no=807, id=9960, vol=7.520000e+06
assign (resid 130 and name HZ) (resid 130 and name HE1) 2.406 0.724 0.724 weight 1.000 ! spec=HCHaro, no=808, id=9961, vol=3.510000e+07
assign (resid 132 and name HD2) (resid 87 and name HB2) 3.543 1.569 1.569 weight 1.000 ! spec=HCHaro, no=810, id=9963, vol=3.440000e+06
    or (resid 132 and name HD2) (resid 87 and name HB1)
assign (resid 135 and name HN) (resid 132 and name HD2) 2.820 0.994 0.994 weight 1.000 ! spec=HCHaro, no=811, id=9964, vol=1.350000e+07
assign (resid 132 and name HD2) (resid 136 and name HN) 3.601 1.621 1.621 weight 1.000 ! spec=HCHaro, no=813, id=9966, vol=3.120000e+06
assign (resid 132 and name HD2) (resid 133 and name HN) 3.476 1.510 1.510 weight 1.000 ! spec=HCHaro, no=815, id=9968, vol=3.860000e+06
assign (resid 132 and name HD2) (resid 132 and name HN) 3.657 1.672 1.672 weight 1.000 ! spec=HCHaro, no=818, id=9971, vol=2.840000e+06
assign (resid 132 and name HA) (resid 132 and name HD2) 3.547 1.573 1.573 weight 1.000 ! spec=HCHaro, no=819, id=9972, vol=3.420000e+06
assign (resid 132 and name HB2) (resid 132 and name HD2) 3.134 1.228 1.228 weight 1.000 ! spec=HCHaro, no=820, id=9973, vol=7.180000e+06
assign (resid 132 and name HB1) (resid 132 and name HD2) 2.963 1.097 1.097 weight 1.000 ! spec=HCHaro, no=821, id=9974, vol=1.010000e+07
assign (resid 132 and name HD2) (resid 134 and name HA) 3.538 1.565 1.565 weight 1.000 ! spec=HCHaro, no=823, id=9975, vol=3.470000e+06
assign (resid 134 and name HB2) (resid 132 and name HD2) 2.918 1.064 1.064 weight 1.000 ! spec=HCHaro, no=824, id=9976, vol=1.100000e+07
assign (resid 135 and name HG21) (resid 132 and name HE1) 2.871 1.031 1.031 weight 1.000 ! spec=HCHaro, no=830, id=9982, vol=1.210000e+07
    or (resid 135 and name HG22) (resid 132 and name HE1)
    or (resid 135 and name HG23) (resid 132 and name HE1)
assign (resid 132 and name HE1) (resid 134 and name HB2) 2.563 0.821 0.821 weight 1.000 ! spec=HCHaro, no=834, id=9986, vol=2.400000e+07
    or (resid 132 and name HE1) (resid 134 and name HB1)
assign (resid 132 and name HE1) (resid 132 and name HD2) 3.590 1.611 1.611 weight 1.000 ! spec=HCHaro, no=839, id=9991, vol=3.180000e+06
assign (resid 132 and name HE1) (resid 134 and name HE2) 3.512 1.542 1.542 weight 1.000 ! spec=HCHaro, no=841, id=9992, vol=3.630000e+06
assign (resid 138 and name HB1) (resid 138 and name HD1) 3.020 1.140 1.140 weight 1.000 ! spec=HCHaro, no=843, id=9994, vol=8.970000e+06
assign (resid 131 and name HG) (resid 138 and name HD1) 2.951 1.089 1.089 weight 1.000 ! spec=HCHaro, no=844, id=9995, vol=1.030000e+07
assign (resid 138 and name HD1) (resid 136 and name HA2) 3.651 1.667 1.667 weight 1.000 ! spec=HCHaro, no=846, id=9997, vol=2.870000e+06
assign (resid 91 and name HD12) (resid 138 and name HD1) 3.507 1.538 1.538 weight 1.000 ! spec=HCHaro, no=847, id=9998, vol=3.660000e+06
    or (resid 91 and name HD11) (resid 138 and name HD1)
    or (resid 91 and name HD13) (resid 138 and name HD1)
assign (resid 91 and name HD22) (resid 138 and name HD1) 3.058 1.169 1.169 weight 1.000 ! spec=HCHaro, no=852, id=10002, vol=8.320000e+06
    or (resid 91 and name HD21) (resid 138 and name HD1)
    or (resid 91 and name HD23) (resid 138 and name HD1)
assign (resid 131 and name HD22) (resid 138 and name HD1) 3.025 1.144 1.144 weight 1.000 ! spec=HCHaro, no=854, id=10004, vol=8.890000e+06
    or (resid 131 and name HD21) (resid 138 and name HD1)
    or (resid 131 and name HD23) (resid 138 and name HD1)
assign (resid 138 and name HD1) (resid 136 and name HA1) 3.672 1.686 1.686 weight 1.000 ! spec=HCHaro, no=856, id=10006, vol=2.770000e+06
assign (resid 138 and name HD1) (resid 131 and name HA) 2.689 0.904 0.904 weight 1.000 ! spec=HCHaro, no=859, id=10009, vol=1.800000e+07
assign (resid 131 and name HB2) (resid 138 and name HD1) 2.877 1.035 1.035 weight 1.000 ! spec=HCHaro, no=860, id=10010, vol=1.200000e+07
assign (resid 138 and name HD1) (resid 131 and name HB1) 3.356 1.408 1.408 weight 1.000 ! spec=HCHaro, no=861, id=10011, vol=4.760000e+06
assign (resid 132 and name HN) (resid 138 and name HD1) 3.048 1.162 1.162 weight 1.000 ! spec=HCHaro, no=862, id=10012, vol=8.480000e+06
assign (resid 138 and name HD1) (resid 137 and name HA) 2.893 1.046 1.046 weight 1.000 ! spec=HCHaro, no=864, id=10014, vol=1.160000e+07
assign (resid 138 and name HN) (resid 138 and name HD1) 2.806 0.984 0.984 weight 1.000 ! spec=HCHaro, no=865, id=10015, vol=1.390000e+07
assign (resid 138 and name HA) (resid 138 and name HD1) 2.538 0.805 0.805 weight 1.000 ! spec=HCHaro, no=866, id=10016, vol=2.550000e+07
assign (resid 138 and name HE1) (resid 138 and name HD1) 2.262 0.640 0.640 weight 1.000 ! spec=HCHaro, no=868, id=10017, vol=5.080000e+07
assign (resid 139 and name HN) (resid 138 and name HD1) 3.168 1.254 1.254 weight 1.000 ! spec=HCHaro, no=869, id=10018, vol=6.730000e+06
assign (resid 114 and name HN) (resid 138 and name HE3) 2.842 1.010 1.010 weight 1.000 ! spec=HCHaro, no=870, id=10019, vol=1.290000e+07
assign (resid 113 and name HB2) (resid 138 and name HE3) 2.967 1.101 1.101 weight 1.000 ! spec=HCHaro, no=871, id=10020, vol=9.970000e+06
assign (resid 113 and name HA) (resid 138 and name HE3) 3.171 1.257 1.257 weight 1.000 ! spec=HCHaro, no=873, id=10022, vol=6.700000e+06
assign (resid 138 and name HE3) (resid 138 and name HZ3) 2.403 0.722 0.722 weight 1.000 ! spec=HCHaro, no=875, id=10024, vol=3.530000e+07
assign (resid 138 and name HB2) (resid 138 and name HE3) 2.507 0.785 0.785 weight 1.000 ! spec=HCHaro, no=877, id=10026, vol=2.740000e+07
assign (resid 138 and name HE3) (resid 115 and name HA) 3.269 1.335 1.335 weight 1.000 ! spec=HCHaro, no=880, id=10029, vol=5.580000e+06
assign (resid 138 and name HE3) (resid 115 and name HD1) 3.565 1.589 1.589 weight 1.000 ! spec=HCHaro, no=881, id=10030, vol=3.310000e+06
assign (resid 138 and name HE3) (resid 115 and name HE3) 3.449 1.487 1.487 weight 1.000 ! spec=HCHaro, no=882, id=10031, vol=4.040000e+06
assign (resid 138 and name HE3) (resid 138 and name HA) 3.468 1.503 1.503 weight 1.000 ! spec=HCHaro, no=883, id=10032, vol=3.910000e+06
assign (resid 138 and name HE3) (resid 138 and name HD1) 3.596 1.616 1.616 weight 1.000 ! spec=HCHaro, no=884, id=10033, vol=3.150000e+06
assign (resid 113 and name HA) (resid 138 and name HH2) 2.799 0.979 0.979 weight 1.000 ! spec=HCHaro, no=887, id=10035, vol=1.420000e+07
assign (resid 138 and name HH2) (resid 66 and name HG11) 3.295 1.357 1.357 weight 1.000 ! spec=HCHaro, no=889, id=10037, vol=5.320000e+06
assign (resid 66 and name HN) (resid 138 and name HH2) 3.494 1.526 1.526 weight 1.000 ! spec=HCHaro, no=892, id=10040, vol=3.740000e+06
assign (resid 66 and name HB) (resid 138 and name HH2) 2.855 1.019 1.019 weight 1.000 ! spec=HCHaro, no=893, id=10041, vol=1.260000e+07
assign (resid 113 and name HB1) (resid 138 and name HH2) 3.460 1.496 1.496 weight 1.000 ! spec=HCHaro, no=894, id=10042, vol=3.970000e+06
assign (resid 138 and name HH2) (resid 72 and name HB2) 3.606 1.625 1.625 weight 1.000 ! spec=HCHaro, no=895, id=10043, vol=3.100000e+06
assign (resid 104 and name HH2) (resid 138 and name HH2) 3.153 1.243 1.243 weight 1.000 ! spec=HCHaro, no=896, id=10044, vol=6.920000e+06
assign (resid 138 and name HH2) (resid 112 and name HD1) 2.770 0.959 0.959 weight 1.000 ! spec=HCHaro, no=899, id=10047, vol=1.510000e+07
assign (resid 138 and name HE1) (resid 138 and name HH2) 3.507 1.537 1.537 weight 1.000 ! spec=HCHaro, no=900, id=10048, vol=3.660000e+06
assign (resid 138 and name HE3) (resid 138 and name HH2) 3.312 1.371 1.371 weight 1.000 ! spec=HCHaro, no=901, id=10049, vol=5.160000e+06
assign (resid 138 and name HH2) (resid 138 and name HZ2) 2.515 0.791 0.791 weight 1.000 ! spec=HCHaro, no=903, id=10050, vol=2.690000e+07
assign (resid 138 and name HH2) (resid 138 and name HZ3) 2.527 0.798 0.798 weight 1.000 ! spec=HCHaro, no=904, id=10051, vol=2.610000e+07
assign (resid 66 and name HG11) (resid 138 and name HZ2) 3.094 1.197 1.197 weight 1.000 ! spec=HCHaro, no=906, id=10053, vol=7.750000e+06
assign (resid 66 and name HD12) (resid 138 and name HZ2) 2.664 0.887 0.887 weight 1.000 ! spec=HCHaro, no=907, id=10054, vol=1.900000e+07
    or (resid 66 and name HD11) (resid 138 and name HZ2)
    or (resid 66 and name HD13) (resid 138 and name HZ2)
assign (resid 66 and name HG12) (resid 138 and name HZ2) 3.124 1.220 1.220 weight 1.000 ! spec=HCHaro, no=908, id=10055, vol=7.330000e+06
assign (resid 113 and name HA) (resid 138 and name HZ2) 3.322 1.379 1.379 weight 1.000 ! spec=HCHaro, no=912, id=10059, vol=5.060000e+06
assign (resid 72 and name HA) (resid 138 and name HZ2) 3.498 1.530 1.530 weight 1.000 ! spec=HCHaro, no=913, id=10060, vol=3.710000e+06
assign (resid 66 and name HB) (resid 138 and name HZ2) 2.459 0.756 0.756 weight 1.000 ! spec=HCHaro, no=917, id=10063, vol=3.080000e+07
assign (resid 138 and name HZ2) (resid 66 and name HA) 3.482 1.516 1.516 weight 1.000 ! spec=HCHaro, no=918, id=10064, vol=3.820000e+06
assign (resid 138 and name HZ2) (resid 72 and name HB2) 3.692 1.704 1.704 weight 1.000 ! spec=HCHaro, no=919, id=10065, vol=2.690000e+06
assign (resid 138 and name HZ2) (resid 114 and name HN) 3.576 1.598 1.598 weight 1.000 ! spec=HCHaro, no=924, id=10070, vol=3.260000e+06
assign (resid 138 and name HE1) (resid 138 and name HZ2) 2.723 0.927 0.927 weight 1.000 ! spec=HCHaro, no=925, id=10071, vol=1.670000e+07
assign (resid 113 and name HB2) (resid 138 and name HZ3) 2.892 1.046 1.046 weight 1.000 ! spec=HCHaro, no=927, id=10072, vol=1.160000e+07
assign (resid 138 and name HZ3) (resid 113 and name HN) 3.430 1.471 1.471 weight 1.000 ! spec=HCHaro, no=928, id=10073, vol=4.180000e+06
assign (resid 138 and name HZ2) (resid 138 and name HZ3) 3.245 1.316 1.316 weight 1.000 ! spec=HCHaro, no=930, id=10075, vol=5.830000e+06
assign (resid 113 and name HB1) (resid 138 and name HZ3) 2.848 1.014 1.014 weight 1.000 ! spec=HCHaro, no=931, id=10076, vol=1.280000e+07
assign (resid 138 and name HZ3) (resid 115 and name HD1) 3.504 1.535 1.535 weight 1.000 ! spec=HCHaro, no=935, id=10080, vol=3.680000e+06
assign (resid 114 and name HN) (resid 138 and name HZ3) 3.029 1.147 1.147 weight 1.000 ! spec=HCHaro, no=936, id=10081, vol=8.820000e+06
assign (resid 113 and name HA) (resid 138 and name HZ3) 2.779 0.965 0.965 weight 1.000 ! spec=HCHaro, no=937, id=10082, vol=1.480000e+07
assign (resid 104 and name HH2) (resid 138 and name HZ3) 3.432 1.472 1.472 weight 1.000 ! spec=HCHaro, no=938, id=10083, vol=4.170000e+06
assign (resid 138 and name HZ3) (resid 66 and name HB) 3.648 1.663 1.663 weight 1.000 ! spec=HCHaro, no=939, id=10084, vol=2.890000e+06
assign (resid 138 and name HZ3) (resid 112 and name HD1) 3.521 1.550 1.550 weight 1.000 ! spec=HCHaro, no=940, id=10085, vol=3.570000e+06
assign (resid 159 and name HD1) (resid 157 and name HB) 3.422 1.464 1.464 weight 1.000 ! spec=HCHaro, no=955, id=10097, vol=4.240000e+06
assign (resid 159 and name HB2) (resid 159 and name HD1) 2.191 0.600 0.600 weight 1.000 ! spec=HCHaro, no=956, id=10098, vol=6.160000e+07
    or (resid 159 and name HD1) (resid 159 and name HB1)
assign (resid 159 and name HD1) (resid 158 and name HB1) 3.702 1.714 1.714 weight 1.000 ! spec=HCHaro, no=958, id=10099, vol=2.640000e+06
assign (resid 157 and name HG22) (resid 159 and name HD1) 3.128 1.223 1.223 weight 1.000 ! spec=HCHaro, no=960, id=10101, vol=7.260000e+06
    or (resid 157 and name HG21) (resid 159 and name HD1)
    or (resid 157 and name HG23) (resid 159 and name HD1)
assign (resid 159 and name HN) (resid 159 and name HD1) 2.849 1.015 1.015 weight 1.000 ! spec=HCHaro, no=961, id=10102, vol=1.270000e+07
assign (resid 159 and name HD1) (resid 159 and name HA) 2.667 0.889 0.889 weight 1.000 ! spec=HCHaro, no=962, id=10103, vol=1.890000e+07
assign (resid 160 and name HN) (resid 159 and name HD1) 3.221 1.296 1.296 weight 1.000 ! spec=HCHaro, no=965, id=10105, vol=6.100000e+06
assign (resid 159 and name HE1) (resid 157 and name HB) 3.331 1.387 1.387 weight 1.000 ! spec=HCHaro, no=967, id=10107, vol=4.980000e+06
assign (resid 157 and name HG22) (resid 159 and name HE1) 3.271 1.337 1.337 weight 1.000 ! spec=HCHaro, no=968, id=10108, vol=5.560000e+06
    or (resid 157 and name HG21) (resid 159 and name HE1)
    or (resid 157 and name HG23) (resid 159 and name HE1)
assign (resid 159 and name HB2) (resid 159 and name HE1) 2.992 1.119 1.119 weight 1.000 ! spec=HCHaro, no=969, id=10109, vol=9.480000e+06
    or (resid 159 and name HE1) (resid 159 and name HB1)
assign (resid 24 and name HN) (resid 26 and name HN) 3.826 1.830 1.830 weight 1.000 ! spec=HNH, no=5, id=2, vol=6.900000e+06
assign (resid 24 and name HN) (resid 23 and name HA) 2.516 0.791 0.791 weight 1.000 ! spec=HNH, no=8, id=5, vol=8.540000e+07
assign (resid 24 and name HN) (resid 23 and name HB1) 3.042 1.157 1.157 weight 1.000 ! spec=HNH, no=9, id=6, vol=2.730000e+07
assign (resid 24 and name HN) (resid 24 and name HA) 3.007 1.130 1.130 weight 1.000 ! spec=HNH, no=11, id=7, vol=2.930000e+07
assign (resid 24 and name HN) (resid 24 and name HB1) 2.624 0.861 0.861 weight 1.000 ! spec=HNH, no=12, id=8, vol=6.640000e+07
assign (resid 24 and name HN) (resid 25 and name HD1) 3.549 1.574 1.574 weight 1.000 ! spec=HNH, no=13, id=9, vol=1.080000e+07
assign (resid 24 and name HN) (resid 29 and name HB2) 3.754 1.762 1.762 weight 1.000 ! spec=HNH, no=14, id=10, vol=7.740000e+06
assign (resid 24 and name HN) (resid 31 and name HB2) 3.636 1.653 1.653 weight 1.000 ! spec=HNH, no=15, id=11, vol=9.370000e+06
assign (resid 24 and name HN) (resid 157 and name HD12) 3.646 1.662 1.662 weight 1.000 ! spec=HNH, no=20, id=16, vol=9.220000e+06
    or (resid 24 and name HN) (resid 157 and name HD11)
    or (resid 24 and name HN) (resid 157 and name HD13)
assign (resid 26 and name HN) (resid 24 and name HA) 3.733 1.741 1.741 weight 1.000 ! spec=HNH, no=23, id=19, vol=8.010000e+06
assign (resid 26 and name HN) (resid 26 and name HB1) 3.599 1.619 1.619 weight 1.000 ! spec=HNH, no=25, id=21, vol=9.970000e+06
assign (resid 26 and name HN) (resid 24 and name HB1) 3.036 1.152 1.152 weight 1.000 ! spec=HNH, no=26, id=22, vol=2.760000e+07
assign (resid 26 and name HN) (resid 25 and name HA) 3.318 1.376 1.376 weight 1.000 ! spec=HNH, no=28, id=24, vol=1.620000e+07
assign (resid 26 and name HN) (resid 25 and name HB2) 3.134 1.228 1.228 weight 1.000 ! spec=HNH, no=29, id=25, vol=2.290000e+07
assign (resid 26 and name HN) (resid 25 and name HB1) 3.423 1.464 1.464 weight 1.000 ! spec=HNH, no=30, id=26, vol=1.350000e+07
assign (resid 26 and name HN) (resid 25 and name HD2) 3.303 1.364 1.364 weight 1.000 ! spec=HNH, no=31, id=27, vol=1.670000e+07
assign (resid 26 and name HN) (resid 25 and name HD1) 3.380 1.428 1.428 weight 1.000 ! spec=HNH, no=32, id=28, vol=1.450000e+07
assign (resid 26 and name HN) (resid 25 and name HG2) 3.663 1.678 1.678 weight 1.000 ! spec=HNH, no=33, id=29, vol=8.960000e+06
assign (resid 26 and name HN) (resid 26 and name HA) 2.896 1.048 1.048 weight 1.000 ! spec=HNH, no=35, id=30, vol=3.670000e+07
assign (resid 26 and name HN) (resid 26 and name HB2) 3.361 1.412 1.412 weight 1.000 ! spec=HNH, no=36, id=31, vol=1.500000e+07
assign (resid 26 and name HN) (resid 29 and name HN) 3.427 1.468 1.468 weight 1.000 ! spec=HNH, no=37, id=32, vol=1.340000e+07
assign (resid 26 and name HN) (resid 29 and name HD1) 2.746 0.943 0.943 weight 1.000 ! spec=HNH, no=38, id=33, vol=5.050000e+07
assign (resid 26 and name HN) (resid 29 and name HB2) 3.211 1.289 1.289 weight 1.000 ! spec=HNH, no=40, id=35, vol=1.980000e+07
assign (resid 28 and name HN) (resid 27 and name HA) 3.809 1.813 1.813 weight 1.000 ! spec=HNH, no=43, id=38, vol=7.090000e+06
assign (resid 28 and name HN) (resid 28 and name HA) 3.364 1.415 1.415 weight 1.000 ! spec=HNH, no=45, id=40, vol=1.490000e+07
assign (resid 28 and name HN) (resid 28 and name HG21) 3.744 1.752 1.752 weight 1.000 ! spec=HNH, no=47, id=42, vol=7.860000e+06
    or (resid 28 and name HN) (resid 28 and name HG22)
    or (resid 28 and name HN) (resid 28 and name HG23)
assign (resid 28 and name HN) (resid 28 and name HB) 3.307 1.367 1.367 weight 1.000 ! spec=HNH, no=48, id=43, vol=1.660000e+07
assign (resid 28 and name HN) (resid 29 and name HN) 3.441 1.480 1.480 weight 1.000 ! spec=HNH, no=49, id=44, vol=1.310000e+07
assign (resid 29 and name HN) (resid 29 and name HE3) 3.838 1.842 1.842 weight 1.000 ! spec=HNH, no=54, id=49, vol=6.770000e+06
assign (resid 29 and name HN) (resid 27 and name HA) 3.442 1.481 1.481 weight 1.000 ! spec=HNH, no=57, id=52, vol=1.300000e+07
assign (resid 29 and name HN) (resid 24 and name HB2) 3.418 1.460 1.460 weight 1.000 ! spec=HNH, no=62, id=57, vol=1.360000e+07
assign (resid 29 and name HN) (resid 24 and name HB1) 3.374 1.423 1.423 weight 1.000 ! spec=HNH, no=63, id=58, vol=1.470000e+07
assign (resid 29 and name HN) (resid 29 and name HA) 3.028 1.146 1.146 weight 1.000 ! spec=HNH, no=68, id=62, vol=2.810000e+07
assign (resid 29 and name HN) (resid 29 and name HE1) 3.830 1.834 1.834 weight 1.000 ! spec=HNH, no=69, id=63, vol=6.860000e+06
assign (resid 29 and name HN) (resid 29 and name HB2) 2.680 0.898 0.898 weight 1.000 ! spec=HNH, no=70, id=64, vol=5.850000e+07
assign (resid 29 and name HN) (resid 30 and name HN) 3.681 1.694 1.694 weight 1.000 ! spec=HNH, no=71, id=65, vol=8.710000e+06
assign (resid 29 and name HN) (resid 37 and name HN) 4.226 2.232 2.232 weight 1.000 ! spec=HNH, no=73, id=67, vol=3.800000e+06
assign (resid 29 and name HN) (resid 38 and name HD12) 3.697 1.708 1.708 weight 1.000 ! spec=HNH, no=75, id=69, vol=8.490000e+06
    or (resid 29 and name HN) (resid 38 and name HD11)
    or (resid 29 and name HN) (resid 38 and name HD13)
assign (resid 29 and name HE1) (resid 26 and name HB1) 4.127 2.129 2.129 weight 1.000 ! spec=HNH, no=80, id=74, vol=4.390000e+06
assign (resid 29 and name HE1) (resid 29 and name HE3) 4.308 2.320 2.320 weight 1.000 ! spec=HNH, no=84, id=78, vol=3.390000e+06
assign (resid 29 and name HE1) (resid 26 and name HA) 3.853 1.856 1.856 weight 1.000 ! spec=HNH, no=85, id=79, vol=6.620000e+06
assign (resid 29 and name HE1) (resid 25 and name HD2) 3.849 1.852 1.852 weight 1.000 ! spec=HNH, no=86, id=80, vol=6.660000e+06
assign (resid 29 and name HE1) (resid 25 and name HB2) 3.045 1.159 1.159 weight 1.000 ! spec=HNH, no=87, id=81, vol=2.720000e+07
assign (resid 29 and name HE1) (resid 25 and name HB1) 3.341 1.395 1.395 weight 1.000 ! spec=HNH, no=88, id=82, vol=1.560000e+07
assign (resid 29 and name HE1) (resid 25 and name HD1) 4.306 2.318 2.318 weight 1.000 ! spec=HNH, no=89, id=83, vol=3.400000e+06
assign (resid 29 and name HE1) (resid 25 and name HG2) 3.469 1.504 1.504 weight 1.000 ! spec=HNH, no=90, id=84, vol=1.240000e+07
assign (resid 26 and name HN) (resid 29 and name HE1) 3.556 1.580 1.580 weight 1.000 ! spec=HNH, no=92, id=86, vol=1.070000e+07
assign (resid 29 and name HE1) (resid 29 and name HZ3) 3.953 1.953 1.953 weight 1.000 ! spec=HNH, no=96, id=89, vol=5.680000e+06
assign (resid 29 and name HE1) (resid 29 and name HB2) 4.007 2.007 2.007 weight 1.000 ! spec=HNH, no=97, id=90, vol=5.240000e+06
assign (resid 29 and name HE1) (resid 38 and name HG12) 4.106 2.107 2.107 weight 1.000 ! spec=HNH, no=98, id=91, vol=4.520000e+06
assign (resid 29 and name HE1) (resid 38 and name HD12) 2.956 1.092 1.092 weight 1.000 ! spec=HNH, no=99, id=92, vol=3.250000e+07
    or (resid 29 and name HE1) (resid 38 and name HD11)
    or (resid 29 and name HE1) (resid 38 and name HD13)
assign (resid 29 and name HE1) (resid 38 and name HG22) 3.790 1.795 1.795 weight 1.000 ! spec=HNH, no=100, id=93, vol=7.310000e+06
    or (resid 29 and name HE1) (resid 38 and name HG21)
    or (resid 29 and name HE1) (resid 38 and name HG23)
assign (resid 29 and name HE1) (resid 40 and name HD12) 4.235 2.242 2.242 weight 1.000 ! spec=HNH, no=101, id=94, vol=3.750000e+06
    or (resid 29 and name HE1) (resid 40 and name HD11)
    or (resid 29 and name HE1) (resid 40 and name HD13)
assign (resid 29 and name HE1) (resid 59 and name HB2) 4.094 2.095 2.095 weight 1.000 ! spec=HNH, no=102, id=95, vol=4.600000e+06
assign (resid 30 and name HN) (resid 37 and name HB2) 3.667 1.680 1.680 weight 1.000 ! spec=HNH, no=103, id=96, vol=8.920000e+06
assign (resid 30 and name HN) (resid 152 and name HD12) 3.660 1.675 1.675 weight 1.000 ! spec=HNH, no=104, id=97, vol=9.010000e+06
    or (resid 30 and name HN) (resid 152 and name HD11)
    or (resid 30 and name HN) (resid 152 and name HD13)
assign (resid 30 and name HN) (resid 30 and name HG12) 3.387 1.434 1.434 weight 1.000 ! spec=HNH, no=105, id=98, vol=1.440000e+07
assign (resid 30 and name HN) (resid 30 and name HB) 2.897 1.049 1.049 weight 1.000 ! spec=HNH, no=108, id=101, vol=3.660000e+07
assign (resid 30 and name HN) (resid 29 and name HB2) 2.941 1.082 1.082 weight 1.000 ! spec=HNH, no=112, id=105, vol=3.340000e+07
    or (resid 30 and name HN) (resid 29 and name HB1)
assign (resid 30 and name HN) (resid 24 and name HB1) 3.941 1.941 1.941 weight 1.000 ! spec=HNH, no=117, id=110, vol=5.780000e+06
assign (resid 30 and name HN) (resid 29 and name HD1) 4.266 2.274 2.274 weight 1.000 ! spec=HNH, no=118, id=111, vol=3.600000e+06
assign (resid 30 and name HN) (resid 29 and name HE3) 3.736 1.744 1.744 weight 1.000 ! spec=HNH, no=119, id=112, vol=7.970000e+06
assign (resid 30 and name HN) (resid 30 and name HA) 3.215 1.292 1.292 weight 1.000 ! spec=HNH, no=121, id=113, vol=1.960000e+07
assign (resid 30 and name HN) (resid 36 and name HA) 3.856 1.858 1.858 weight 1.000 ! spec=HNH, no=124, id=116, vol=6.590000e+06
assign (resid 30 and name HN) (resid 37 and name HN) 3.038 1.154 1.154 weight 1.000 ! spec=HNH, no=125, id=117, vol=2.760000e+07
assign (resid 30 and name HN) (resid 38 and name HA) 3.783 1.789 1.789 weight 1.000 ! spec=HNH, no=126, id=118, vol=7.390000e+06
assign (resid 30 and name HN) (resid 38 and name HB) 3.937 1.937 1.937 weight 1.000 ! spec=HNH, no=127, id=119, vol=5.820000e+06
assign (resid 30 and name HN) (resid 38 and name HG22) 4.297 2.308 2.308 weight 1.000 ! spec=HNH, no=129, id=121, vol=3.440000e+06
    or (resid 30 and name HN) (resid 38 and name HG21)
    or (resid 30 and name HN) (resid 38 and name HG23)
assign (resid 30 and name HN) (resid 78 and name HG21) 4.145 2.148 2.148 weight 1.000 ! spec=HNH, no=130, id=122, vol=4.270000e+06
    or (resid 30 and name HN) (resid 78 and name HG22)
    or (resid 30 and name HN) (resid 78 and name HG23)
assign (resid 31 and name HN) (resid 30 and name HG11) 3.527 1.555 1.555 weight 1.000 ! spec=HNH, no=141, id=132, vol=1.130000e+07
assign (resid 30 and name HN) (resid 31 and name HN) 3.524 1.553 1.553 weight 1.000 ! spec=HNH, no=145, id=136, vol=1.130000e+07
assign (resid 31 and name HN) (resid 30 and name HA) 2.250 0.633 0.633 weight 1.000 ! spec=HNH, no=146, id=137, vol=1.670000e+08
assign (resid 31 and name HN) (resid 30 and name HG12) 3.370 1.420 1.420 weight 1.000 ! spec=HNH, no=147, id=138, vol=1.480000e+07
assign (resid 31 and name HN) (resid 31 and name HA) 2.950 1.088 1.088 weight 1.000 ! spec=HNH, no=151, id=141, vol=3.290000e+07
assign (resid 31 and name HN) (resid 31 and name HB2) 2.362 0.697 0.697 weight 1.000 ! spec=HNH, no=152, id=142, vol=1.250000e+08
assign (resid 31 and name HN) (resid 32 and name HN) 3.182 1.266 1.266 weight 1.000 ! spec=HNH, no=153, id=143, vol=2.090000e+07
assign (resid 31 and name HN) (resid 36 and name HA) 4.108 2.109 2.109 weight 1.000 ! spec=HNH, no=154, id=144, vol=4.510000e+06
assign (resid 31 and name HN) (resid 37 and name HD1) 4.222 2.228 2.228 weight 1.000 ! spec=HNH, no=156, id=146, vol=3.830000e+06
assign (resid 31 and name HE21) (resid 33 and name HN) 4.084 2.085 2.085 weight 1.000 ! spec=HNH, no=158, id=148, vol=4.670000e+06
assign (resid 31 and name HE21) (resid 32 and name HN) 4.038 2.038 2.038 weight 1.000 ! spec=HNH, no=159, id=149, vol=5.000000e+06
assign (resid 31 and name HE21) (resid 34 and name HA) 3.312 1.371 1.371 weight 1.000 ! spec=HNH, no=161, id=151, vol=1.640000e+07
assign (resid 31 and name HE22) (resid 35 and name HN) 4.323 2.336 2.336 weight 1.000 ! spec=HNH, no=172, id=161, vol=3.320000e+06
assign (resid 31 and name HE22) (resid 23 and name HB1) 3.714 1.724 1.724 weight 1.000 ! spec=HNH, no=173, id=162, vol=8.260000e+06
assign (resid 31 and name HN) (resid 31 and name HE21) 4.234 2.241 2.241 weight 1.000 ! spec=HNH, no=174, id=163, vol=3.760000e+06
assign (resid 31 and name HE21) (resid 31 and name HA) 4.049 2.049 2.049 weight 1.000 ! spec=HNH, no=175, id=164, vol=4.920000e+06
assign (resid 31 and name HE22) (resid 31 and name HA) 4.589 2.632 2.632 weight 1.000 ! spec=HNH, no=176, id=165, vol=2.320000e+06
assign (resid 31 and name HE21) (resid 31 and name HG2) 2.792 0.974 0.974 weight 1.000 ! spec=HNH, no=179, id=166, vol=4.580000e+07
assign (resid 31 and name HE22) (resid 31 and name HG2) 3.105 1.205 1.205 weight 1.000 ! spec=HNH, no=180, id=167, vol=2.420000e+07
assign (resid 31 and name HE21) (resid 31 and name HG1) 2.942 1.082 1.082 weight 1.000 ! spec=HNH, no=181, id=168, vol=3.340000e+07
assign (resid 31 and name HE22) (resid 31 and name HG1) 3.055 1.167 1.167 weight 1.000 ! spec=HNH, no=182, id=169, vol=2.670000e+07
assign (resid 31 and name HE21) (resid 31 and name HB2) 2.967 1.100 1.100 weight 1.000 ! spec=HNH, no=183, id=170, vol=3.180000e+07
assign (resid 31 and name HE22) (resid 31 and name HB2) 3.432 1.472 1.472 weight 1.000 ! spec=HNH, no=184, id=171, vol=1.330000e+07
assign (resid 31 and name HE21) (resid 157 and name HG12) 3.907 1.908 1.908 weight 1.000 ! spec=HNH, no=186, id=173, vol=6.090000e+06
assign (resid 31 and name HE22) (resid 157 and name HG12) 4.108 2.109 2.109 weight 1.000 ! spec=HNH, no=187, id=174, vol=4.510000e+06
assign (resid 31 and name HE21) (resid 157 and name HD12) 2.800 0.980 0.980 weight 1.000 ! spec=HNH, no=188, id=175, vol=4.490000e+07
    or (resid 31 and name HE21) (resid 157 and name HD11)
    or (resid 31 and name HE21) (resid 157 and name HD13)
assign (resid 31 and name HE22) (resid 157 and name HD12) 3.055 1.167 1.167 weight 1.000 ! spec=HNH, no=189, id=176, vol=2.660000e+07
    or (resid 31 and name HE22) (resid 157 and name HD11)
    or (resid 31 and name HE22) (resid 157 and name HD13)
assign (resid 32 and name HN) (resid 74 and name HZ) 4.231 2.237 2.237 weight 1.000 ! spec=HNH, no=190, id=177, vol=3.780000e+06
assign (resid 32 and name HN) (resid 35 and name HB1) 3.897 1.898 1.898 weight 1.000 ! spec=HNH, no=193, id=178, vol=6.190000e+06
assign (resid 32 and name HN) (resid 32 and name HD1) 3.654 1.669 1.669 weight 1.000 ! spec=HNH, no=198, id=183, vol=9.100000e+06
    or (resid 32 and name HN) (resid 32 and name HD2)
assign (resid 32 and name HN) (resid 33 and name HB2) 3.814 1.818 1.818 weight 1.000 ! spec=HNH, no=203, id=186, vol=7.040000e+06
    or (resid 32 and name HN) (resid 33 and name HB1)
assign (resid 32 and name HN) (resid 33 and name HG1) 4.229 2.236 2.236 weight 1.000 ! spec=HNH, no=204, id=187, vol=3.790000e+06
assign (resid 32 and name HN) (resid 35 and name HA) 3.724 1.733 1.733 weight 1.000 ! spec=HNH, no=212, id=194, vol=8.120000e+06
assign (resid 32 and name HN) (resid 31 and name HA) 2.343 0.686 0.686 weight 1.000 ! spec=HNH, no=218, id=200, vol=1.310000e+08
assign (resid 32 and name HN) (resid 31 and name HG1) 2.883 1.039 1.039 weight 1.000 ! spec=HNH, no=219, id=201, vol=3.770000e+07
assign (resid 32 and name HN) (resid 32 and name HB2) 3.207 1.286 1.286 weight 1.000 ! spec=HNH, no=222, id=203, vol=1.990000e+07
assign (resid 32 and name HN) (resid 32 and name HB1) 2.673 0.893 0.893 weight 1.000 ! spec=HNH, no=223, id=204, vol=5.930000e+07
assign (resid 32 and name HN) (resid 36 and name HA) 3.210 1.288 1.288 weight 1.000 ! spec=HNH, no=226, id=207, vol=1.980000e+07
assign (resid 32 and name HN) (resid 37 and name HN) 3.792 1.798 1.798 weight 1.000 ! spec=HNH, no=227, id=208, vol=7.280000e+06
assign (resid 32 and name HN) (resid 37 and name HD1) 3.163 1.251 1.251 weight 1.000 ! spec=HNH, no=228, id=209, vol=2.160000e+07
assign (resid 32 and name HN) (resid 37 and name HE1) 2.937 1.078 1.078 weight 1.000 ! spec=HNH, no=229, id=210, vol=3.370000e+07
assign (resid 33 and name HN) (resid 32 and name HB2) 3.174 1.259 1.259 weight 1.000 ! spec=HNH, no=234, id=215, vol=2.120000e+07
assign (resid 32 and name HN) (resid 33 and name HN) 3.467 1.503 1.503 weight 1.000 ! spec=HNH, no=236, id=217, vol=1.250000e+07
assign (resid 33 and name HN) (resid 33 and name HB2) 2.884 1.039 1.039 weight 1.000 ! spec=HNH, no=240, id=221, vol=3.770000e+07
    or (resid 33 and name HN) (resid 33 and name HB1)
assign (resid 33 and name HN) (resid 33 and name HE22) 4.224 2.230 2.230 weight 1.000 ! spec=HNH, no=245, id=226, vol=3.810000e+06
assign (resid 33 and name HN) (resid 32 and name HA) 2.378 0.707 0.707 weight 1.000 ! spec=HNH, no=246, id=227, vol=1.200000e+08
assign (resid 33 and name HN) (resid 33 and name HA) 2.317 0.671 0.671 weight 1.000 ! spec=HNH, no=249, id=229, vol=1.400000e+08
assign (resid 33 and name HN) (resid 33 and name HG2) 2.882 1.038 1.038 weight 1.000 ! spec=HNH, no=251, id=231, vol=3.780000e+07
assign (resid 33 and name HN) (resid 33 and name HG1) 2.927 1.071 1.071 weight 1.000 ! spec=HNH, no=252, id=232, vol=3.440000e+07
assign (resid 33 and name HE21) (resid 71 and name HN) 4.042 2.042 2.042 weight 1.000 ! spec=HNH, no=254, id=234, vol=4.970000e+06
assign (resid 33 and name HE21) (resid 70 and name HB1) 3.274 1.340 1.340 weight 1.000 ! spec=HNH, no=259, id=239, vol=1.760000e+07
assign (resid 33 and name HE21) (resid 70 and name HG1) 3.783 1.789 1.789 weight 1.000 ! spec=HNH, no=260, id=240, vol=7.390000e+06
assign (resid 33 and name HE21) (resid 33 and name HB2) 3.229 1.303 1.303 weight 1.000 ! spec=HNH, no=264, id=244, vol=1.910000e+07
    or (resid 33 and name HE21) (resid 33 and name HB1)
assign (resid 33 and name HE22) (resid 70 and name HG1) 3.648 1.664 1.664 weight 1.000 ! spec=HNH, no=266, id=246, vol=9.190000e+06
assign (resid 33 and name HE22) (resid 70 and name HB1) 3.184 1.267 1.267 weight 1.000 ! spec=HNH, no=267, id=247, vol=2.080000e+07
assign (resid 33 and name HE22) (resid 70 and name HB2) 3.407 1.451 1.451 weight 1.000 ! spec=HNH, no=268, id=248, vol=1.380000e+07
assign (resid 33 and name HE22) (resid 33 and name HB2) 3.489 1.522 1.522 weight 1.000 ! spec=HNH, no=270, id=250, vol=1.200000e+07
    or (resid 33 and name HE22) (resid 33 and name HB1)
assign (resid 33 and name HE22) (resid 71 and name HN) 3.657 1.672 1.672 weight 1.000 ! spec=HNH, no=272, id=252, vol=9.050000e+06
assign (resid 33 and name HE22) (resid 70 and name HN) 3.768 1.775 1.775 weight 1.000 ! spec=HNH, no=273, id=253, vol=7.570000e+06
assign (resid 33 and name HN) (resid 33 and name HE21) 3.735 1.744 1.744 weight 1.000 ! spec=HNH, no=276, id=256, vol=7.980000e+06
assign (resid 33 and name HE21) (resid 33 and name HE22) 1.739 0.378 0.378 weight 1.000 ! spec=HNH, no=278, id=257, vol=7.820000e+08
assign (resid 33 and name HE21) (resid 33 and name HG2) 2.845 1.012 1.012 weight 1.000 ! spec=HNH, no=280, id=258, vol=4.080000e+07
assign (resid 33 and name HE22) (resid 33 and name HG2) 3.131 1.225 1.225 weight 1.000 ! spec=HNH, no=281, id=259, vol=2.300000e+07
assign (resid 33 and name HE21) (resid 33 and name HG1) 2.791 0.973 0.973 weight 1.000 ! spec=HNH, no=282, id=260, vol=4.590000e+07
assign (resid 33 and name HE22) (resid 33 and name HG1) 3.075 1.182 1.182 weight 1.000 ! spec=HNH, no=283, id=261, vol=2.560000e+07
assign (resid 33 and name HE21) (resid 71 and name HA) 4.253 2.261 2.261 weight 1.000 ! spec=HNH, no=284, id=262, vol=3.660000e+06
assign (resid 33 and name HE22) (resid 71 and name HA) 4.399 2.419 2.419 weight 1.000 ! spec=HNH, no=285, id=263, vol=2.990000e+06
assign (resid 35 and name HN) (resid 33 and name HN) 3.832 1.836 1.836 weight 1.000 ! spec=HNH, no=289, id=267, vol=6.840000e+06
assign (resid 35 and name HN) (resid 157 and name HN) 3.750 1.758 1.758 weight 1.000 ! spec=HNH, no=291, id=269, vol=7.790000e+06
assign (resid 35 and name HN) (resid 32 and name HA) 3.788 1.794 1.794 weight 1.000 ! spec=HNH, no=295, id=273, vol=7.330000e+06
assign (resid 35 and name HN) (resid 37 and name HE1) 3.446 1.485 1.485 weight 1.000 ! spec=HNH, no=297, id=275, vol=1.290000e+07
    or (resid 35 and name HN) (resid 37 and name HE2)
assign (resid 35 and name HN) (resid 32 and name HB1) 3.744 1.752 1.752 weight 1.000 ! spec=HNH, no=298, id=276, vol=7.870000e+06
assign (resid 35 and name HN) (resid 32 and name HD1) 4.049 2.049 2.049 weight 1.000 ! spec=HNH, no=300, id=278, vol=4.920000e+06
    or (resid 35 and name HN) (resid 32 and name HD2)
assign (resid 35 and name HN) (resid 33 and name HB2) 3.108 1.208 1.208 weight 1.000 ! spec=HNH, no=302, id=280, vol=2.400000e+07
    or (resid 35 and name HN) (resid 33 and name HB1)
assign (resid 31 and name HE21) (resid 35 and name HN) 3.642 1.658 1.658 weight 1.000 ! spec=HNH, no=304, id=282, vol=9.290000e+06
assign (resid 35 and name HN) (resid 31 and name HA) 3.817 1.821 1.821 weight 1.000 ! spec=HNH, no=306, id=284, vol=7.010000e+06
assign (resid 32 and name HN) (resid 35 and name HN) 2.995 1.121 1.121 weight 1.000 ! spec=HNH, no=307, id=285, vol=3.000000e+07
assign (resid 35 and name HN) (resid 34 and name HA) 2.783 0.968 0.968 weight 1.000 ! spec=HNH, no=308, id=286, vol=4.660000e+07
assign (resid 35 and name HN) (resid 34 and name HB2) 3.264 1.332 1.332 weight 1.000 ! spec=HNH, no=309, id=287, vol=1.790000e+07
assign (resid 35 and name HN) (resid 35 and name HA) 2.970 1.102 1.102 weight 1.000 ! spec=HNH, no=311, id=288, vol=3.160000e+07
assign (resid 35 and name HN) (resid 35 and name HB1) 2.886 1.041 1.041 weight 1.000 ! spec=HNH, no=313, id=290, vol=3.750000e+07
assign (resid 35 and name HN) (resid 36 and name HA) 4.451 2.476 2.476 weight 1.000 ! spec=HNH, no=315, id=292, vol=2.790000e+06
assign (resid 35 and name HN) (resid 154 and name HG1) 4.100 2.102 2.102 weight 1.000 ! spec=HNH, no=317, id=294, vol=4.560000e+06
assign (resid 35 and name HN) (resid 157 and name HG12) 4.020 2.020 2.020 weight 1.000 ! spec=HNH, no=318, id=295, vol=5.130000e+06
assign (resid 35 and name HN) (resid 157 and name HG11) 3.686 1.698 1.698 weight 1.000 ! spec=HNH, no=319, id=296, vol=8.640000e+06
assign (resid 35 and name HN) (resid 36 and name HN) 3.969 1.969 1.969 weight 1.000 ! spec=HNH, no=322, id=299, vol=5.540000e+06
assign (resid 36 and name HN) (resid 154 and name HG1) 3.745 1.753 1.753 weight 1.000 ! spec=HNH, no=325, id=302, vol=7.850000e+06
assign (resid 36 and name HN) (resid 31 and name HG1) 4.237 2.244 2.244 weight 1.000 ! spec=HNH, no=337, id=314, vol=3.750000e+06
assign (resid 36 and name HN) (resid 31 and name HB2) 4.233 2.240 2.240 weight 1.000 ! spec=HNH, no=338, id=315, vol=3.770000e+06
assign (resid 36 and name HN) (resid 35 and name HA) 2.555 0.816 0.816 weight 1.000 ! spec=HNH, no=339, id=316, vol=7.790000e+07
assign (resid 36 and name HN) (resid 35 and name HB1) 3.160 1.248 1.248 weight 1.000 ! spec=HNH, no=341, id=318, vol=2.180000e+07
assign (resid 36 and name HN) (resid 36 and name HB2) 2.929 1.073 1.073 weight 1.000 ! spec=HNH, no=344, id=320, vol=3.430000e+07
assign (resid 36 and name HN) (resid 36 and name HB1) 3.084 1.189 1.189 weight 1.000 ! spec=HNH, no=345, id=321, vol=2.520000e+07
assign (resid 36 and name HN) (resid 37 and name HA) 3.976 1.976 1.976 weight 1.000 ! spec=HNH, no=347, id=323, vol=5.480000e+06
assign (resid 36 and name HN) (resid 37 and name HD1) 4.352 2.367 2.367 weight 1.000 ! spec=HNH, no=348, id=324, vol=3.190000e+06
assign (resid 36 and name HN) (resid 155 and name HG21) 2.995 1.121 1.121 weight 1.000 ! spec=HNH, no=350, id=326, vol=3.000000e+07
    or (resid 36 and name HN) (resid 155 and name HG22)
    or (resid 36 and name HN) (resid 155 and name HG23)
assign (resid 36 and name HN) (resid 156 and name HN) 4.112 2.114 2.114 weight 1.000 ! spec=HNH, no=351, id=327, vol=4.480000e+06
assign (resid 36 and name HN) (resid 156 and name HA) 3.248 1.319 1.319 weight 1.000 ! spec=HNH, no=352, id=328, vol=1.840000e+07
assign (resid 37 and name HN) (resid 37 and name HB2) 3.139 1.231 1.231 weight 1.000 ! spec=HNH, no=356, id=331, vol=2.270000e+07
assign (resid 31 and name HN) (resid 37 and name HN) 4.228 2.235 2.235 weight 1.000 ! spec=HNH, no=362, id=335, vol=3.790000e+06
assign (resid 37 and name HN) (resid 38 and name HA) 4.344 2.359 2.359 weight 1.000 ! spec=HNH, no=367, id=339, vol=3.220000e+06
assign (resid 37 and name HN) (resid 38 and name HB) 4.211 2.217 2.217 weight 1.000 ! spec=HNH, no=368, id=340, vol=3.880000e+06
assign (resid 37 and name HN) (resid 29 and name HE3) 3.340 1.394 1.394 weight 1.000 ! spec=HNH, no=372, id=344, vol=1.560000e+07
assign (resid 37 and name HN) (resid 30 and name HA) 4.222 2.228 2.228 weight 1.000 ! spec=HNH, no=374, id=346, vol=3.830000e+06
assign (resid 37 and name HN) (resid 30 and name HB) 3.645 1.661 1.661 weight 1.000 ! spec=HNH, no=375, id=347, vol=9.230000e+06
assign (resid 37 and name HN) (resid 30 and name HG12) 4.104 2.106 2.106 weight 1.000 ! spec=HNH, no=376, id=348, vol=4.530000e+06
assign (resid 37 and name HN) (resid 30 and name HD12) 3.656 1.671 1.671 weight 1.000 ! spec=HNH, no=377, id=349, vol=9.070000e+06
    or (resid 37 and name HN) (resid 30 and name HD11)
    or (resid 37 and name HN) (resid 30 and name HD13)
assign (resid 37 and name HN) (resid 31 and name HA) 3.487 1.520 1.520 weight 1.000 ! spec=HNH, no=379, id=351, vol=1.210000e+07
assign (resid 36 and name HN) (resid 37 and name HN) 3.715 1.726 1.726 weight 1.000 ! spec=HNH, no=380, id=352, vol=8.230000e+06
assign (resid 37 and name HN) (resid 36 and name HA) 2.595 0.842 0.842 weight 1.000 ! spec=HNH, no=381, id=353, vol=7.100000e+07
assign (resid 37 and name HN) (resid 36 and name HB2) 3.458 1.495 1.495 weight 1.000 ! spec=HNH, no=382, id=354, vol=1.270000e+07
assign (resid 37 and name HN) (resid 37 and name HB1) 2.959 1.094 1.094 weight 1.000 ! spec=HNH, no=384, id=355, vol=3.230000e+07
assign (resid 37 and name HN) (resid 154 and name HB2) 4.413 2.435 2.435 weight 1.000 ! spec=HNH, no=389, id=360, vol=2.930000e+06
assign (resid 38 and name HN) (resid 37 and name HD1) 3.413 1.456 1.456 weight 1.000 ! spec=HNH, no=391, id=362, vol=1.370000e+07
    or (resid 38 and name HN) (resid 37 and name HD2)
assign (resid 38 and name HN) (resid 40 and name HD12) 3.845 1.848 1.848 weight 1.000 ! spec=HNH, no=397, id=368, vol=6.700000e+06
    or (resid 38 and name HN) (resid 40 and name HD11)
    or (resid 38 and name HN) (resid 40 and name HD13)
assign (resid 38 and name HN) (resid 29 and name HZ3) 3.818 1.822 1.822 weight 1.000 ! spec=HNH, no=398, id=369, vol=7.000000e+06
assign (resid 37 and name HN) (resid 38 and name HN) 3.863 1.866 1.866 weight 1.000 ! spec=HNH, no=399, id=370, vol=6.520000e+06
assign (resid 38 and name HN) (resid 37 and name HA) 2.466 0.760 0.760 weight 1.000 ! spec=HNH, no=400, id=371, vol=9.630000e+07
assign (resid 38 and name HN) (resid 37 and name HB2) 3.080 1.186 1.186 weight 1.000 ! spec=HNH, no=401, id=372, vol=2.540000e+07
assign (resid 38 and name HN) (resid 37 and name HB1) 3.274 1.340 1.340 weight 1.000 ! spec=HNH, no=402, id=373, vol=1.760000e+07
assign (resid 38 and name HN) (resid 38 and name HB) 3.205 1.284 1.284 weight 1.000 ! spec=HNH, no=404, id=374, vol=2.000000e+07
assign (resid 38 and name HN) (resid 38 and name HG22) 2.655 0.881 0.881 weight 1.000 ! spec=HNH, no=405, id=375, vol=6.190000e+07
    or (resid 38 and name HN) (resid 38 and name HG21)
    or (resid 38 and name HN) (resid 38 and name HG23)
assign (resid 38 and name HN) (resid 152 and name HA) 3.560 1.584 1.584 weight 1.000 ! spec=HNH, no=406, id=376, vol=1.060000e+07
assign (resid 38 and name HN) (resid 153 and name HN) 2.795 0.977 0.977 weight 1.000 ! spec=HNH, no=409, id=379, vol=4.540000e+07
assign (resid 38 and name HN) (resid 153 and name HB2) 3.432 1.472 1.472 weight 1.000 ! spec=HNH, no=410, id=380, vol=1.330000e+07
assign (resid 38 and name HN) (resid 154 and name HA) 3.207 1.286 1.286 weight 1.000 ! spec=HNH, no=411, id=381, vol=1.990000e+07
assign (resid 39 and name HN) (resid 152 and name HB2) 4.065 2.066 2.066 weight 1.000 ! spec=HNH, no=422, id=391, vol=4.800000e+06
assign (resid 40 and name HN) (resid 38 and name HG22) 3.668 1.682 1.682 weight 1.000 ! spec=HNH, no=427, id=395, vol=8.890000e+06
    or (resid 40 and name HN) (resid 38 and name HG21)
    or (resid 40 and name HN) (resid 38 and name HG23)
assign (resid 40 and name HN) (resid 40 and name HA) 2.917 1.064 1.064 weight 1.000 ! spec=HNH, no=435, id=402, vol=3.510000e+07
assign (resid 40 and name HN) (resid 152 and name HA) 2.923 1.068 1.068 weight 1.000 ! spec=HNH, no=441, id=408, vol=3.470000e+07
assign (resid 41 and name HN) (resid 39 and name HB2) 3.584 1.606 1.606 weight 1.000 ! spec=HNH, no=443, id=410, vol=1.020000e+07
assign (resid 41 and name HN) (resid 41 and name HE22) 4.083 2.084 2.084 weight 1.000 ! spec=HNH, no=445, id=412, vol=4.670000e+06
assign (resid 41 and name HN) (resid 40 and name HN) 3.363 1.414 1.414 weight 1.000 ! spec=HNH, no=446, id=413, vol=1.500000e+07
assign (resid 41 and name HN) (resid 40 and name HA) 2.296 0.659 0.659 weight 1.000 ! spec=HNH, no=447, id=414, vol=1.480000e+08
assign (resid 41 and name HN) (resid 40 and name HB1) 3.307 1.367 1.367 weight 1.000 ! spec=HNH, no=449, id=416, vol=1.660000e+07
assign (resid 41 and name HN) (resid 40 and name HD22) 3.666 1.680 1.680 weight 1.000 ! spec=HNH, no=451, id=418, vol=8.920000e+06
    or (resid 41 and name HN) (resid 40 and name HD21)
    or (resid 41 and name HN) (resid 40 and name HD23)
assign (resid 41 and name HN) (resid 41 and name HB2) 2.723 0.927 0.927 weight 1.000 ! spec=HNH, no=452, id=419, vol=5.310000e+07
assign (resid 41 and name HN) (resid 41 and name HB1) 2.738 0.937 0.937 weight 1.000 ! spec=HNH, no=453, id=420, vol=5.140000e+07
assign (resid 41 and name HN) (resid 41 and name HG2) 2.894 1.047 1.047 weight 1.000 ! spec=HNH, no=454, id=421, vol=3.690000e+07
assign (resid 41 and name HN) (resid 41 and name HG1) 2.738 0.937 0.937 weight 1.000 ! spec=HNH, no=455, id=422, vol=5.140000e+07
assign (resid 41 and name HN) (resid 42 and name HN) 2.957 1.093 1.093 weight 1.000 ! spec=HNH, no=456, id=423, vol=3.240000e+07
assign (resid 41 and name HN) (resid 150 and name HA2) 3.656 1.671 1.671 weight 1.000 ! spec=HNH, no=457, id=424, vol=9.070000e+06
assign (resid 41 and name HE21) (resid 85 and name HA1) 4.285 2.295 2.295 weight 1.000 ! spec=HNH, no=459, id=426, vol=3.500000e+06
assign (resid 41 and name HE22) (resid 84 and name HG2) 4.023 2.023 2.023 weight 1.000 ! spec=HNH, no=471, id=438, vol=5.110000e+06
    or (resid 41 and name HE22) (resid 84 and name HG1)
assign (resid 41 and name HE22) (resid 89 and name HG22) 4.310 2.322 2.322 weight 1.000 ! spec=HNH, no=475, id=442, vol=3.380000e+06
    or (resid 41 and name HE22) (resid 89 and name HG21)
    or (resid 41 and name HE22) (resid 89 and name HG23)
assign (resid 41 and name HE22) (resid 41 and name HA) 3.880 1.882 1.882 weight 1.000 ! spec=HNH, no=477, id=444, vol=6.350000e+06
assign (resid 41 and name HE21) (resid 40 and name HN) 4.219 2.225 2.225 weight 1.000 ! spec=HNH, no=478, id=445, vol=3.840000e+06
assign (resid 41 and name HE21) (resid 41 and name HN) 4.131 2.134 2.134 weight 1.000 ! spec=HNH, no=479, id=446, vol=4.360000e+06
assign (resid 41 and name HE21) (resid 41 and name HA) 3.837 1.841 1.841 weight 1.000 ! spec=HNH, no=480, id=447, vol=6.790000e+06
assign (resid 41 and name HE21) (resid 41 and name HB2) 3.288 1.352 1.352 weight 1.000 ! spec=HNH, no=481, id=448, vol=1.710000e+07
assign (resid 41 and name HE22) (resid 41 and name HB2) 3.374 1.423 1.423 weight 1.000 ! spec=HNH, no=482, id=449, vol=1.470000e+07
assign (resid 41 and name HE21) (resid 41 and name HG2) 2.755 0.949 0.949 weight 1.000 ! spec=HNH, no=487, id=452, vol=4.960000e+07
assign (resid 41 and name HE22) (resid 41 and name HG2) 3.182 1.266 1.266 weight 1.000 ! spec=HNH, no=488, id=453, vol=2.090000e+07
assign (resid 41 and name HE21) (resid 150 and name HA2) 4.055 2.055 2.055 weight 1.000 ! spec=HNH, no=490, id=455, vol=4.870000e+06
assign (resid 42 and name HN) (resid 42 and name HB1) 2.770 0.959 0.959 weight 1.000 ! spec=HNH, no=491, id=456, vol=4.800000e+07
assign (resid 42 and name HN) (resid 41 and name HA) 2.197 0.603 0.603 weight 1.000 ! spec=HNH, no=495, id=460, vol=1.930000e+08
assign (resid 42 and name HN) (resid 40 and name HD22) 3.930 1.931 1.931 weight 1.000 ! spec=HNH, no=500, id=465, vol=5.880000e+06
    or (resid 42 and name HN) (resid 40 and name HD21)
    or (resid 42 and name HN) (resid 40 and name HD23)
assign (resid 42 and name HN) (resid 42 and name HB2) 2.408 0.725 0.725 weight 1.000 ! spec=HNH, no=504, id=468, vol=1.110000e+08
assign (resid 42 and name HN) (resid 43 and name HN) 3.086 1.190 1.190 weight 1.000 ! spec=HNH, no=505, id=469, vol=2.510000e+07
assign (resid 42 and name HN) (resid 43 and name HA) 3.810 1.815 1.815 weight 1.000 ! spec=HNH, no=506, id=470, vol=7.080000e+06
assign (resid 42 and name HN) (resid 150 and name HA2) 3.065 1.174 1.174 weight 1.000 ! spec=HNH, no=508, id=472, vol=2.610000e+07
assign (resid 42 and name HN) (resid 150 and name HA1) 3.047 1.161 1.161 weight 1.000 ! spec=HNH, no=509, id=473, vol=2.710000e+07
assign (resid 43 and name HN) (resid 42 and name HB2) 3.046 1.160 1.160 weight 1.000 ! spec=HNH, no=510, id=474, vol=2.710000e+07
assign (resid 43 and name HN) (resid 42 and name HB1) 2.894 1.047 1.047 weight 1.000 ! spec=HNH, no=515, id=479, vol=3.690000e+07
assign (resid 43 and name HN) (resid 42 and name HA) 2.128 0.566 0.566 weight 1.000 ! spec=HNH, no=517, id=481, vol=2.330000e+08
assign (resid 43 and name HN) (resid 43 and name HA) 2.771 0.960 0.960 weight 1.000 ! spec=HNH, no=519, id=482, vol=4.780000e+07
assign (resid 43 and name HN) (resid 44 and name HN) 3.172 1.258 1.258 weight 1.000 ! spec=HNH, no=521, id=484, vol=2.130000e+07
assign (resid 43 and name HN) (resid 44 and name HG22) 3.503 1.534 1.534 weight 1.000 ! spec=HNH, no=522, id=485, vol=1.170000e+07
    or (resid 43 and name HN) (resid 44 and name HG21)
    or (resid 43 and name HN) (resid 44 and name HG23)
assign (resid 44 and name HN) (resid 149 and name HB1) 3.466 1.502 1.502 weight 1.000 ! spec=HNH, no=525, id=488, vol=1.250000e+07
assign (resid 44 and name HN) (resid 55 and name HE21) 3.804 1.809 1.809 weight 1.000 ! spec=HNH, no=530, id=493, vol=7.150000e+06
assign (resid 44 and name HN) (resid 43 and name HB2) 2.471 0.764 0.764 weight 1.000 ! spec=HNH, no=533, id=496, vol=9.510000e+07
    or (resid 44 and name HN) (resid 43 and name HB1)
    or (resid 44 and name HN) (resid 43 and name HB3)
assign (resid 44 and name HN) (resid 44 and name HA) 2.599 0.844 0.844 weight 1.000 ! spec=HNH, no=535, id=497, vol=7.030000e+07
assign (resid 44 and name HN) (resid 44 and name HG12) 2.515 0.791 0.791 weight 1.000 ! spec=HNH, no=537, id=499, vol=8.550000e+07
assign (resid 44 and name HN) (resid 44 and name HG11) 2.488 0.774 0.774 weight 1.000 ! spec=HNH, no=538, id=500, vol=9.140000e+07
assign (resid 45 and name HN) (resid 45 and name HE2) 4.169 2.173 2.173 weight 1.000 ! spec=HNH, no=547, id=509, vol=4.130000e+06
    or (resid 45 and name HN) (resid 45 and name HE1)
assign (resid 45 and name HN) (resid 44 and name HN) 3.128 1.223 1.223 weight 1.000 ! spec=HNH, no=552, id=514, vol=2.310000e+07
assign (resid 45 and name HN) (resid 44 and name HA) 2.012 0.506 0.506 weight 1.000 ! spec=HNH, no=553, id=515, vol=3.270000e+08
assign (resid 45 and name HN) (resid 44 and name HB) 2.090 0.546 0.546 weight 1.000 ! spec=HNH, no=555, id=517, vol=2.600000e+08
assign (resid 45 and name HN) (resid 44 and name HG11) 2.865 1.026 1.026 weight 1.000 ! spec=HNH, no=557, id=519, vol=3.920000e+07
assign (resid 45 and name HN) (resid 45 and name HA) 2.161 0.584 0.584 weight 1.000 ! spec=HNH, no=561, id=522, vol=2.130000e+08
assign (resid 45 and name HN) (resid 45 and name HB2) 2.205 0.608 0.608 weight 1.000 ! spec=HNH, no=562, id=523, vol=1.890000e+08
assign (resid 45 and name HN) (resid 45 and name HB1) 2.090 0.546 0.546 weight 1.000 ! spec=HNH, no=563, id=524, vol=2.600000e+08
assign (resid 46 and name HN) (resid 51 and name HB2) 3.635 1.651 1.651 weight 1.000 ! spec=HNH, no=568, id=529, vol=9.400000e+06
assign (resid 46 and name HN) (resid 45 and name HG1) 3.247 1.318 1.318 weight 1.000 ! spec=HNH, no=575, id=536, vol=1.850000e+07
assign (resid 46 and name HN) (resid 45 and name HD2) 2.904 1.054 1.054 weight 1.000 ! spec=HNH, no=576, id=537, vol=3.610000e+07
assign (resid 46 and name HN) (resid 45 and name HE2) 3.764 1.771 1.771 weight 1.000 ! spec=HNH, no=577, id=538, vol=7.610000e+06
assign (resid 46 and name HN) (resid 46 and name HB) 2.726 0.929 0.929 weight 1.000 ! spec=HNH, no=580, id=540, vol=5.280000e+07
assign (resid 46 and name HN) (resid 47 and name HN) 3.624 1.641 1.641 weight 1.000 ! spec=HNH, no=582, id=542, vol=9.570000e+06
assign (resid 47 and name HN) (resid 51 and name HB1) 3.040 1.155 1.155 weight 1.000 ! spec=HNH, no=585, id=545, vol=2.750000e+07
assign (resid 47 and name HN) (resid 51 and name HB2) 3.126 1.222 1.222 weight 1.000 ! spec=HNH, no=591, id=551, vol=2.320000e+07
assign (resid 47 and name HN) (resid 45 and name HB1) 4.120 2.122 2.122 weight 1.000 ! spec=HNH, no=593, id=553, vol=4.430000e+06
assign (resid 47 and name HN) (resid 47 and name HA) 2.901 1.052 1.052 weight 1.000 ! spec=HNH, no=598, id=557, vol=3.640000e+07
assign (resid 47 and name HN) (resid 47 and name HB1) 2.614 0.854 0.854 weight 1.000 ! spec=HNH, no=600, id=559, vol=6.800000e+07
assign (resid 47 and name HN) (resid 48 and name HA) 3.683 1.696 1.696 weight 1.000 ! spec=HNH, no=602, id=561, vol=8.670000e+06
assign (resid 47 and name HN) (resid 48 and name HB2) 3.955 1.955 1.955 weight 1.000 ! spec=HNH, no=603, id=562, vol=5.660000e+06
assign (resid 48 and name HN) (resid 47 and name HA) 2.940 1.080 1.080 weight 1.000 ! spec=HNH, no=616, id=575, vol=3.360000e+07
assign (resid 48 and name HN) (resid 46 and name HA) 2.626 0.862 0.862 weight 1.000 ! spec=HNH, no=622, id=581, vol=6.610000e+07
assign (resid 47 and name HN) (resid 48 and name HN) 2.145 0.575 0.575 weight 1.000 ! spec=HNH, no=624, id=583, vol=2.220000e+08
assign (resid 48 and name HN) (resid 47 and name HB1) 2.682 0.899 0.899 weight 1.000 ! spec=HNH, no=626, id=585, vol=5.820000e+07
assign (resid 48 and name HN) (resid 48 and name HB2) 3.046 1.159 1.159 weight 1.000 ! spec=HNH, no=629, id=587, vol=2.710000e+07
assign (resid 48 and name HN) (resid 48 and name HB1) 3.136 1.229 1.229 weight 1.000 ! spec=HNH, no=630, id=588, vol=2.280000e+07
assign (resid 48 and name HN) (resid 51 and name HB1) 2.677 0.896 0.896 weight 1.000 ! spec=HNH, no=635, id=593, vol=5.890000e+07
assign (resid 49 and name HN) (resid 143 and name HN) 3.734 1.743 1.743 weight 1.000 ! spec=HNH, no=637, id=595, vol=8.000000e+06
assign (resid 49 and name HN) (resid 144 and name HG2) 2.605 0.848 0.848 weight 1.000 ! spec=HNH, no=639, id=597, vol=6.930000e+07
    or (resid 49 and name HN) (resid 144 and name HG1)
assign (resid 49 and name HN) (resid 46 and name HG12) 3.062 1.172 1.172 weight 1.000 ! spec=HNH, no=641, id=599, vol=2.630000e+07
    or (resid 49 and name HN) (resid 46 and name HG11)
    or (resid 49 and name HN) (resid 46 and name HG13)
assign (resid 49 and name HN) (resid 105 and name HZ) 3.412 1.455 1.455 weight 1.000 ! spec=HNH, no=647, id=604, vol=1.370000e+07
assign (resid 49 and name HN) (resid 48 and name HN) 3.286 1.349 1.349 weight 1.000 ! spec=HNH, no=648, id=605, vol=1.720000e+07
assign (resid 49 and name HN) (resid 48 and name HA) 2.324 0.675 0.675 weight 1.000 ! spec=HNH, no=649, id=606, vol=1.370000e+08
assign (resid 49 and name HN) (resid 48 and name HB2) 2.752 0.947 0.947 weight 1.000 ! spec=HNH, no=650, id=607, vol=4.990000e+07
assign (resid 49 and name HN) (resid 49 and name HA) 2.584 0.835 0.835 weight 1.000 ! spec=HNH, no=652, id=608, vol=7.270000e+07
assign (resid 49 and name HN) (resid 49 and name HB) 2.328 0.677 0.677 weight 1.000 ! spec=HNH, no=653, id=609, vol=1.360000e+08
assign (resid 49 and name HN) (resid 52 and name HG12) 3.038 1.153 1.153 weight 1.000 ! spec=HNH, no=660, id=616, vol=2.760000e+07
    or (resid 49 and name HN) (resid 52 and name HG11)
    or (resid 49 and name HN) (resid 52 and name HG13)
assign (resid 50 and name HN) (resid 49 and name HG11) 3.169 1.255 1.255 weight 1.000 ! spec=HNH, no=661, id=617, vol=2.140000e+07
assign (resid 50 and name HN) (resid 52 and name HG12) 3.399 1.444 1.444 weight 1.000 ! spec=HNH, no=663, id=619, vol=1.400000e+07
    or (resid 50 and name HN) (resid 52 and name HG11)
    or (resid 50 and name HN) (resid 52 and name HG13)
assign (resid 50 and name HN) (resid 46 and name HG12) 3.718 1.728 1.728 weight 1.000 ! spec=HNH, no=665, id=621, vol=8.210000e+06
    or (resid 50 and name HN) (resid 46 and name HG11)
    or (resid 50 and name HN) (resid 46 and name HG13)
assign (resid 50 and name HN) (resid 48 and name HA) 3.215 1.292 1.292 weight 1.000 ! spec=HNH, no=666, id=622, vol=1.960000e+07
assign (resid 50 and name HN) (resid 48 and name HB2) 3.008 1.131 1.131 weight 1.000 ! spec=HNH, no=667, id=623, vol=2.930000e+07
assign (resid 50 and name HN) (resid 48 and name HB1) 2.731 0.932 0.932 weight 1.000 ! spec=HNH, no=668, id=624, vol=5.230000e+07
assign (resid 49 and name HN) (resid 50 and name HN) 2.646 0.875 0.875 weight 1.000 ! spec=HNH, no=669, id=625, vol=6.320000e+07
assign (resid 50 and name HN) (resid 49 and name HA) 2.918 1.064 1.064 weight 1.000 ! spec=HNH, no=670, id=626, vol=3.510000e+07
assign (resid 50 and name HN) (resid 50 and name HA) 2.464 0.759 0.759 weight 1.000 ! spec=HNH, no=673, id=628, vol=9.680000e+07
assign (resid 50 and name HN) (resid 50 and name HG2) 2.677 0.896 0.896 weight 1.000 ! spec=HNH, no=674, id=629, vol=5.880000e+07
assign (resid 50 and name HN) (resid 50 and name HB2) 2.140 0.572 0.572 weight 1.000 ! spec=HNH, no=675, id=630, vol=2.260000e+08
assign (resid 50 and name HN) (resid 52 and name HN) 3.185 1.268 1.268 weight 1.000 ! spec=HNH, no=677, id=632, vol=2.080000e+07
assign (resid 51 and name HN) (resid 51 and name HA) 2.391 0.715 0.715 weight 1.000 ! spec=HNH, no=685, id=640, vol=1.160000e+08
assign (resid 47 and name HN) (resid 51 and name HN) 3.445 1.483 1.483 weight 1.000 ! spec=HNH, no=686, id=641, vol=1.300000e+07
assign (resid 48 and name HN) (resid 51 and name HN) 2.872 1.031 1.031 weight 1.000 ! spec=HNH, no=687, id=642, vol=3.860000e+07
assign (resid 51 and name HN) (resid 48 and name HA) 3.537 1.564 1.564 weight 1.000 ! spec=HNH, no=688, id=643, vol=1.110000e+07
assign (resid 51 and name HN) (resid 48 and name HB1) 3.188 1.270 1.270 weight 1.000 ! spec=HNH, no=689, id=644, vol=2.060000e+07
assign (resid 49 and name HN) (resid 51 and name HN) 3.684 1.697 1.697 weight 1.000 ! spec=HNH, no=690, id=645, vol=8.660000e+06
assign (resid 51 and name HN) (resid 49 and name HG22) 3.168 1.255 1.255 weight 1.000 ! spec=HNH, no=691, id=646, vol=2.140000e+07
    or (resid 51 and name HN) (resid 49 and name HG21)
    or (resid 51 and name HN) (resid 49 and name HG23)
assign (resid 50 and name HN) (resid 51 and name HN) 2.271 0.644 0.644 weight 1.000 ! spec=HNH, no=692, id=647, vol=1.580000e+08
assign (resid 51 and name HN) (resid 50 and name HA) 3.054 1.166 1.166 weight 1.000 ! spec=HNH, no=693, id=648, vol=2.670000e+07
assign (resid 51 and name HN) (resid 50 and name HB2) 2.528 0.799 0.799 weight 1.000 ! spec=HNH, no=694, id=649, vol=8.310000e+07
assign (resid 51 and name HN) (resid 51 and name HB1) 2.500 0.781 0.781 weight 1.000 ! spec=HNH, no=697, id=651, vol=8.870000e+07
assign (resid 51 and name HN) (resid 52 and name HN) 2.457 0.755 0.755 weight 1.000 ! spec=HNH, no=698, id=652, vol=9.850000e+07
assign (resid 51 and name HN) (resid 52 and name HG12) 2.998 1.123 1.123 weight 1.000 ! spec=HNH, no=699, id=653, vol=2.990000e+07
    or (resid 51 and name HN) (resid 52 and name HG11)
    or (resid 51 and name HN) (resid 52 and name HG13)
assign (resid 52 and name HN) (resid 55 and name HE22) 3.961 1.961 1.961 weight 1.000 ! spec=HNH, no=702, id=656, vol=5.610000e+06
assign (resid 52 and name HN) (resid 49 and name HN) 4.207 2.212 2.212 weight 1.000 ! spec=HNH, no=705, id=659, vol=3.910000e+06
assign (resid 48 and name HN) (resid 52 and name HN) 3.303 1.363 1.363 weight 1.000 ! spec=HNH, no=708, id=662, vol=1.670000e+07
assign (resid 47 and name HN) (resid 52 and name HN) 4.024 2.024 2.024 weight 1.000 ! spec=HNH, no=712, id=666, vol=5.100000e+06
assign (resid 52 and name HN) (resid 46 and name HG12) 2.902 1.053 1.053 weight 1.000 ! spec=HNH, no=714, id=668, vol=3.620000e+07
    or (resid 52 and name HN) (resid 46 and name HG11)
    or (resid 52 and name HN) (resid 46 and name HG13)
assign (resid 52 and name HN) (resid 46 and name HG22) 3.020 1.140 1.140 weight 1.000 ! spec=HNH, no=715, id=669, vol=2.850000e+07
    or (resid 52 and name HN) (resid 46 and name HG21)
    or (resid 52 and name HN) (resid 46 and name HG23)
assign (resid 52 and name HN) (resid 50 and name HB2) 3.566 1.589 1.589 weight 1.000 ! spec=HNH, no=719, id=673, vol=1.050000e+07
assign (resid 52 and name HN) (resid 51 and name HA) 3.031 1.148 1.148 weight 1.000 ! spec=HNH, no=721, id=675, vol=2.800000e+07
assign (resid 52 and name HN) (resid 51 and name HB2) 2.976 1.107 1.107 weight 1.000 ! spec=HNH, no=722, id=676, vol=3.120000e+07
assign (resid 52 and name HN) (resid 51 and name HB1) 2.879 1.036 1.036 weight 1.000 ! spec=HNH, no=723, id=677, vol=3.800000e+07
assign (resid 52 and name HN) (resid 52 and name HA) 2.707 0.916 0.916 weight 1.000 ! spec=HNH, no=725, id=678, vol=5.500000e+07
assign (resid 52 and name HN) (resid 52 and name HB) 2.434 0.740 0.740 weight 1.000 ! spec=HNH, no=726, id=679, vol=1.040000e+08
assign (resid 52 and name HN) (resid 53 and name HG1) 3.371 1.421 1.421 weight 1.000 ! spec=HNH, no=729, id=682, vol=1.480000e+07
assign (resid 53 and name HN) (resid 46 and name HG12) 3.301 1.362 1.362 weight 1.000 ! spec=HNH, no=735, id=687, vol=1.680000e+07
    or (resid 53 and name HN) (resid 46 and name HG11)
    or (resid 53 and name HN) (resid 46 and name HG13)
assign (resid 53 and name HN) (resid 51 and name HN) 3.162 1.250 1.250 weight 1.000 ! spec=HNH, no=736, id=688, vol=2.170000e+07
assign (resid 52 and name HN) (resid 53 and name HN) 2.428 0.737 0.737 weight 1.000 ! spec=HNH, no=739, id=691, vol=1.060000e+08
assign (resid 53 and name HN) (resid 52 and name HA) 2.872 1.031 1.031 weight 1.000 ! spec=HNH, no=740, id=692, vol=3.860000e+07
assign (resid 53 and name HN) (resid 53 and name HG2) 2.760 0.952 0.952 weight 1.000 ! spec=HNH, no=745, id=696, vol=4.900000e+07
assign (resid 53 and name HN) (resid 53 and name HG1) 2.430 0.738 0.738 weight 1.000 ! spec=HNH, no=746, id=697, vol=1.050000e+08
assign (resid 53 and name HN) (resid 53 and name HB2) 2.553 0.815 0.815 weight 1.000 ! spec=HNH, no=747, id=698, vol=7.820000e+07
assign (resid 53 and name HE) (resid 63 and name HB2) 4.164 2.168 2.168 weight 1.000 ! spec=HNH, no=748, id=699, vol=4.150000e+06
assign (resid 53 and name HE) (resid 57 and name HG21) 3.162 1.249 1.249 weight 1.000 ! spec=HNH, no=753, id=703, vol=2.170000e+07
    or (resid 53 and name HE) (resid 57 and name HG22)
    or (resid 53 and name HE) (resid 57 and name HG23)
assign (resid 53 and name HE) (resid 62 and name HA) 3.893 1.894 1.894 weight 1.000 ! spec=HNH, no=756, id=706, vol=6.220000e+06
assign (resid 53 and name HE) (resid 50 and name HA) 4.095 2.096 2.096 weight 1.000 ! spec=HNH, no=760, id=710, vol=4.600000e+06
assign (resid 53 and name HE) (resid 53 and name HN) 3.864 1.866 1.866 weight 1.000 ! spec=HNH, no=762, id=712, vol=6.510000e+06
assign (resid 53 and name HE) (resid 53 and name HD2) 2.967 1.100 1.100 weight 1.000 ! spec=HNH, no=763, id=713, vol=3.170000e+07
assign (resid 53 and name HE) (resid 53 and name HG2) 2.859 1.022 1.022 weight 1.000 ! spec=HNH, no=765, id=714, vol=3.960000e+07
assign (resid 53 and name HE) (resid 63 and name HN) 3.470 1.505 1.505 weight 1.000 ! spec=HNH, no=767, id=716, vol=1.240000e+07
assign (resid 53 and name HE) (resid 105 and name HB2) 3.327 1.384 1.384 weight 1.000 ! spec=HNH, no=768, id=717, vol=1.600000e+07
assign (resid 53 and name HE) (resid 105 and name HB1) 3.103 1.203 1.203 weight 1.000 ! spec=HNH, no=769, id=718, vol=2.430000e+07
assign (resid 53 and name HE) (resid 105 and name HD1) 3.476 1.511 1.511 weight 1.000 ! spec=HNH, no=770, id=719, vol=1.230000e+07
assign (resid 54 and name HN) (resid 57 and name HN) 3.598 1.619 1.619 weight 1.000 ! spec=HNH, no=774, id=723, vol=9.980000e+06
assign (resid 54 and name HN) (resid 52 and name HG22) 3.187 1.270 1.270 weight 1.000 ! spec=HNH, no=784, id=732, vol=2.070000e+07
    or (resid 54 and name HN) (resid 52 and name HG21)
    or (resid 54 and name HN) (resid 52 and name HG23)
assign (resid 52 and name HN) (resid 54 and name HN) 3.291 1.354 1.354 weight 1.000 ! spec=HNH, no=786, id=734, vol=1.710000e+07
assign (resid 54 and name HN) (resid 53 and name HD1) 3.041 1.156 1.156 weight 1.000 ! spec=HNH, no=787, id=735, vol=2.740000e+07
assign (resid 54 and name HN) (resid 53 and name HG1) 2.670 0.891 0.891 weight 1.000 ! spec=HNH, no=788, id=736, vol=5.970000e+07
assign (resid 54 and name HN) (resid 54 and name HA) 2.382 0.709 0.709 weight 1.000 ! spec=HNH, no=791, id=738, vol=1.190000e+08
assign (resid 54 and name HN) (resid 54 and name HD22) 3.633 1.650 1.650 weight 1.000 ! spec=HNH, no=792, id=739, vol=9.430000e+06
assign (resid 54 and name HN) (resid 54 and name HB2) 2.161 0.584 0.584 weight 1.000 ! spec=HNH, no=793, id=740, vol=2.130000e+08
assign (resid 54 and name HD21) (resid 51 and name HB1) 3.988 1.988 1.988 weight 1.000 ! spec=HNH, no=796, id=743, vol=5.390000e+06
assign (resid 54 and name HD22) (resid 50 and name HB2) 3.680 1.693 1.693 weight 1.000 ! spec=HNH, no=801, id=748, vol=8.720000e+06
assign (resid 54 and name HD21) (resid 51 and name HA) 3.102 1.203 1.203 weight 1.000 ! spec=HNH, no=802, id=749, vol=2.430000e+07
assign (resid 54 and name HD22) (resid 51 and name HA) 3.159 1.248 1.248 weight 1.000 ! spec=HNH, no=803, id=750, vol=2.180000e+07
assign (resid 54 and name HD21) (resid 54 and name HN) 3.626 1.643 1.643 weight 1.000 ! spec=HNH, no=804, id=751, vol=9.530000e+06
assign (resid 54 and name HD21) (resid 54 and name HA) 3.996 1.996 1.996 weight 1.000 ! spec=HNH, no=806, id=753, vol=5.320000e+06
assign (resid 54 and name HD22) (resid 54 and name HA) 4.048 2.048 2.048 weight 1.000 ! spec=HNH, no=807, id=754, vol=4.920000e+06
assign (resid 54 and name HD22) (resid 54 and name HD21) 1.779 0.396 0.396 weight 1.000 ! spec=HNH, no=810, id=756, vol=6.840000e+08
assign (resid 54 and name HD22) (resid 54 and name HB2) 2.599 0.844 0.844 weight 1.000 ! spec=HNH, no=813, id=758, vol=7.030000e+07
assign (resid 55 and name HN) (resid 52 and name HA) 2.973 1.105 1.105 weight 1.000 ! spec=HNH, no=814, id=759, vol=3.140000e+07
assign (resid 55 and name HN) (resid 58 and name HN) 3.783 1.789 1.789 weight 1.000 ! spec=HNH, no=815, id=760, vol=7.390000e+06
assign (resid 55 and name HN) (resid 53 and name HD2) 3.511 1.541 1.541 weight 1.000 ! spec=HNH, no=817, id=762, vol=1.160000e+07
assign (resid 55 and name HN) (resid 151 and name HG21) 3.135 1.229 1.229 weight 1.000 ! spec=HNH, no=820, id=765, vol=2.280000e+07
    or (resid 55 and name HN) (resid 151 and name HG22)
    or (resid 55 and name HN) (resid 151 and name HG23)
assign (resid 55 and name HN) (resid 40 and name HD22) 3.614 1.633 1.633 weight 1.000 ! spec=HNH, no=823, id=768, vol=9.720000e+06
    or (resid 55 and name HN) (resid 40 and name HD21)
    or (resid 55 and name HN) (resid 40 and name HD23)
assign (resid 54 and name HN) (resid 55 and name HN) 2.554 0.815 0.815 weight 1.000 ! spec=HNH, no=824, id=769, vol=7.810000e+07
assign (resid 55 and name HN) (resid 54 and name HA) 3.100 1.201 1.201 weight 1.000 ! spec=HNH, no=825, id=770, vol=2.440000e+07
assign (resid 55 and name HN) (resid 54 and name HB2) 2.611 0.852 0.852 weight 1.000 ! spec=HNH, no=826, id=771, vol=6.840000e+07
assign (resid 55 and name HN) (resid 55 and name HA) 2.418 0.731 0.731 weight 1.000 ! spec=HNH, no=828, id=772, vol=1.080000e+08
assign (resid 55 and name HN) (resid 55 and name HB2) 2.425 0.735 0.735 weight 1.000 ! spec=HNH, no=829, id=773, vol=1.060000e+08
assign (resid 55 and name HN) (resid 55 and name HE22) 3.803 1.807 1.807 weight 1.000 ! spec=HNH, no=831, id=775, vol=7.170000e+06
assign (resid 55 and name HN) (resid 55 and name HG2) 2.415 0.729 0.729 weight 1.000 ! spec=HNH, no=832, id=776, vol=1.090000e+08
assign (resid 55 and name HE21) (resid 150 and name HA2) 4.319 2.331 2.331 weight 1.000 ! spec=HNH, no=838, id=782, vol=3.340000e+06
assign (resid 55 and name HE21) (resid 51 and name HB1) 4.501 2.533 2.533 weight 1.000 ! spec=HNH, no=840, id=784, vol=2.600000e+06
assign (resid 55 and name HE21) (resid 42 and name HB1) 3.515 1.544 1.544 weight 1.000 ! spec=HNH, no=843, id=787, vol=1.150000e+07
assign (resid 55 and name HE21) (resid 44 and name HG22) 2.814 0.990 0.990 weight 1.000 ! spec=HNH, no=845, id=789, vol=4.360000e+07
    or (resid 55 and name HE21) (resid 44 and name HG21)
    or (resid 55 and name HE21) (resid 44 and name HG23)
assign (resid 55 and name HE21) (resid 42 and name HB2) 3.166 1.253 1.253 weight 1.000 ! spec=HNH, no=846, id=790, vol=2.150000e+07
assign (resid 55 and name HE21) (resid 52 and name HA) 3.132 1.226 1.226 weight 1.000 ! spec=HNH, no=847, id=791, vol=2.300000e+07
assign (resid 55 and name HE21) (resid 52 and name HG22) 3.039 1.155 1.155 weight 1.000 ! spec=HNH, no=848, id=792, vol=2.750000e+07
    or (resid 55 and name HE21) (resid 52 and name HG21)
    or (resid 55 and name HE21) (resid 52 and name HG23)
assign (resid 55 and name HE21) (resid 44 and name HG11) 3.780 1.786 1.786 weight 1.000 ! spec=HNH, no=849, id=793, vol=7.420000e+06
assign (resid 55 and name HE22) (resid 44 and name HN) 3.879 1.880 1.880 weight 1.000 ! spec=HNH, no=852, id=796, vol=6.360000e+06
assign (resid 55 and name HE22) (resid 42 and name HB1) 3.701 1.713 1.713 weight 1.000 ! spec=HNH, no=853, id=797, vol=8.420000e+06
assign (resid 55 and name HE22) (resid 42 and name HB2) 3.208 1.286 1.286 weight 1.000 ! spec=HNH, no=854, id=798, vol=1.990000e+07
assign (resid 55 and name HE22) (resid 44 and name HG11) 3.696 1.708 1.708 weight 1.000 ! spec=HNH, no=856, id=800, vol=8.500000e+06
assign (resid 55 and name HE22) (resid 43 and name HN) 4.226 2.232 2.232 weight 1.000 ! spec=HNH, no=857, id=801, vol=3.800000e+06
assign (resid 55 and name HE22) (resid 40 and name HD22) 3.673 1.686 1.686 weight 1.000 ! spec=HNH, no=864, id=808, vol=8.830000e+06
    or (resid 55 and name HE22) (resid 40 and name HD21)
    or (resid 55 and name HE22) (resid 40 and name HD23)
assign (resid 55 and name HE22) (resid 52 and name HA) 3.338 1.392 1.392 weight 1.000 ! spec=HNH, no=865, id=809, vol=1.570000e+07
assign (resid 55 and name HE22) (resid 52 and name HG22) 3.099 1.200 1.200 weight 1.000 ! spec=HNH, no=866, id=810, vol=2.450000e+07
    or (resid 55 and name HE22) (resid 52 and name HG21)
    or (resid 55 and name HE22) (resid 52 and name HG23)
assign (resid 55 and name HE21) (resid 54 and name HB2) 3.781 1.787 1.787 weight 1.000 ! spec=HNH, no=867, id=811, vol=7.410000e+06
assign (resid 55 and name HE21) (resid 55 and name HA) 3.663 1.678 1.678 weight 1.000 ! spec=HNH, no=869, id=813, vol=8.960000e+06
assign (resid 55 and name HE21) (resid 55 and name HB2) 2.977 1.108 1.108 weight 1.000 ! spec=HNH, no=871, id=815, vol=3.110000e+07
assign (resid 55 and name HE22) (resid 55 and name HE21) 1.772 0.393 0.393 weight 1.000 ! spec=HNH, no=874, id=817, vol=6.990000e+08
assign (resid 55 and name HE21) (resid 55 and name HG2) 2.699 0.910 0.910 weight 1.000 ! spec=HNH, no=876, id=818, vol=5.610000e+07
assign (resid 55 and name HE22) (resid 55 and name HG2) 2.994 1.121 1.121 weight 1.000 ! spec=HNH, no=877, id=819, vol=3.010000e+07
assign (resid 55 and name HE21) (resid 55 and name HG1) 2.797 0.978 0.978 weight 1.000 ! spec=HNH, no=878, id=820, vol=4.530000e+07
assign (resid 55 and name HE22) (resid 55 and name HG1) 3.114 1.212 1.212 weight 1.000 ! spec=HNH, no=879, id=821, vol=2.380000e+07
assign (resid 55 and name HE22) (resid 148 and name HN) 4.265 2.273 2.273 weight 1.000 ! spec=HNH, no=882, id=824, vol=3.600000e+06
assign (resid 55 and name HE22) (resid 148 and name HA) 3.984 1.984 1.984 weight 1.000 ! spec=HNH, no=884, id=826, vol=5.420000e+06
assign (resid 55 and name HE21) (resid 151 and name HG21) 3.040 1.155 1.155 weight 1.000 ! spec=HNH, no=886, id=828, vol=2.750000e+07
    or (resid 55 and name HE21) (resid 151 and name HG22)
    or (resid 55 and name HE21) (resid 151 and name HG23)
assign (resid 55 and name HE22) (resid 151 and name HG21) 3.038 1.154 1.154 weight 1.000 ! spec=HNH, no=887, id=829, vol=2.750000e+07
    or (resid 55 and name HE22) (resid 151 and name HG22)
    or (resid 55 and name HE22) (resid 151 and name HG23)
assign (resid 56 and name HN) (resid 54 and name HN) 3.416 1.459 1.459 weight 1.000 ! spec=HNH, no=888, id=830, vol=1.360000e+07
assign (resid 56 and name HN) (resid 151 and name HG21) 3.296 1.358 1.358 weight 1.000 ! spec=HNH, no=897, id=839, vol=1.690000e+07
    or (resid 56 and name HN) (resid 151 and name HG22)
    or (resid 56 and name HN) (resid 151 and name HG23)
assign (resid 56 and name HN) (resid 58 and name HB1) 3.498 1.529 1.529 weight 1.000 ! spec=HNH, no=901, id=843, vol=1.180000e+07
assign (resid 56 and name HN) (resid 40 and name HD12) 4.362 2.379 2.379 weight 1.000 ! spec=HNH, no=905, id=847, vol=3.140000e+06
    or (resid 56 and name HN) (resid 40 and name HD11)
    or (resid 56 and name HN) (resid 40 and name HD13)
assign (resid 56 and name HN) (resid 40 and name HD22) 3.501 1.532 1.532 weight 1.000 ! spec=HNH, no=906, id=848, vol=1.180000e+07
    or (resid 56 and name HN) (resid 40 and name HD21)
    or (resid 56 and name HN) (resid 40 and name HD23)
assign (resid 56 and name HN) (resid 55 and name HN) 2.408 0.725 0.725 weight 1.000 ! spec=HNH, no=907, id=849, vol=1.110000e+08
assign (resid 56 and name HN) (resid 55 and name HB2) 2.707 0.916 0.916 weight 1.000 ! spec=HNH, no=909, id=851, vol=5.500000e+07
assign (resid 56 and name HN) (resid 56 and name HA) 2.728 0.930 0.930 weight 1.000 ! spec=HNH, no=912, id=853, vol=5.260000e+07
assign (resid 56 and name HN) (resid 56 and name HB2) 2.648 0.876 0.876 weight 1.000 ! spec=HNH, no=913, id=854, vol=6.290000e+07
assign (resid 56 and name HN) (resid 56 and name HB1) 2.575 0.829 0.829 weight 1.000 ! spec=HNH, no=914, id=855, vol=7.440000e+07
assign (resid 56 and name HN) (resid 57 and name HN) 2.527 0.798 0.798 weight 1.000 ! spec=HNH, no=915, id=856, vol=8.320000e+07
assign (resid 56 and name HN) (resid 63 and name HG1) 3.172 1.258 1.258 weight 1.000 ! spec=HNH, no=919, id=860, vol=2.130000e+07
assign (resid 57 and name HN) (resid 63 and name HG1) 3.829 1.833 1.833 weight 1.000 ! spec=HNH, no=923, id=864, vol=6.880000e+06
assign (resid 57 and name HN) (resid 55 and name HB2) 3.858 1.860 1.860 weight 1.000 ! spec=HNH, no=924, id=865, vol=6.570000e+06
assign (resid 57 and name HN) (resid 54 and name HA) 2.790 0.973 0.973 weight 1.000 ! spec=HNH, no=925, id=866, vol=4.590000e+07
assign (resid 55 and name HN) (resid 57 and name HN) 3.185 1.268 1.268 weight 1.000 ! spec=HNH, no=926, id=867, vol=2.080000e+07
assign (resid 57 and name HN) (resid 55 and name HA) 3.792 1.798 1.798 weight 1.000 ! spec=HNH, no=927, id=868, vol=7.280000e+06
assign (resid 57 and name HN) (resid 56 and name HB2) 3.015 1.136 1.136 weight 1.000 ! spec=HNH, no=929, id=870, vol=2.890000e+07
assign (resid 57 and name HN) (resid 56 and name HB1) 2.698 0.910 0.910 weight 1.000 ! spec=HNH, no=930, id=871, vol=5.610000e+07
assign (resid 57 and name HN) (resid 57 and name HA) 2.739 0.938 0.938 weight 1.000 ! spec=HNH, no=932, id=872, vol=5.130000e+07
assign (resid 57 and name HN) (resid 57 and name HB) 2.974 1.106 1.106 weight 1.000 ! spec=HNH, no=933, id=873, vol=3.130000e+07
assign (resid 56 and name HN) (resid 58 and name HN) 3.370 1.420 1.420 weight 1.000 ! spec=HNH, no=942, id=882, vol=1.480000e+07
assign (resid 58 and name HN) (resid 56 and name HB1) 3.446 1.485 1.485 weight 1.000 ! spec=HNH, no=943, id=883, vol=1.290000e+07
assign (resid 57 and name HN) (resid 58 and name HN) 2.701 0.912 0.912 weight 1.000 ! spec=HNH, no=944, id=884, vol=5.580000e+07
assign (resid 58 and name HN) (resid 58 and name HA) 2.522 0.795 0.795 weight 1.000 ! spec=HNH, no=947, id=886, vol=8.410000e+07
assign (resid 58 and name HN) (resid 58 and name HB2) 2.586 0.836 0.836 weight 1.000 ! spec=HNH, no=948, id=887, vol=7.250000e+07
assign (resid 58 and name HN) (resid 58 and name HB1) 2.344 0.687 0.687 weight 1.000 ! spec=HNH, no=949, id=888, vol=1.310000e+08
assign (resid 58 and name HN) (resid 59 and name HN) 2.627 0.863 0.863 weight 1.000 ! spec=HNH, no=950, id=889, vol=6.590000e+07
assign (resid 58 and name HN) (resid 60 and name HN) 3.470 1.505 1.505 weight 1.000 ! spec=HNH, no=952, id=891, vol=1.240000e+07
assign (resid 59 and name HN) (resid 61 and name HA) 4.048 2.048 2.048 weight 1.000 ! spec=HNH, no=955, id=894, vol=4.920000e+06
assign (resid 59 and name HN) (resid 57 and name HN) 3.338 1.393 1.393 weight 1.000 ! spec=HNH, no=957, id=896, vol=1.570000e+07
assign (resid 59 and name HN) (resid 57 and name HA) 2.861 1.023 1.023 weight 1.000 ! spec=HNH, no=958, id=897, vol=3.950000e+07
assign (resid 59 and name HN) (resid 58 and name HB2) 3.061 1.171 1.171 weight 1.000 ! spec=HNH, no=960, id=899, vol=2.630000e+07
assign (resid 59 and name HN) (resid 58 and name HB1) 2.799 0.979 0.979 weight 1.000 ! spec=HNH, no=961, id=900, vol=4.510000e+07
assign (resid 59 and name HN) (resid 59 and name HA) 2.617 0.856 0.856 weight 1.000 ! spec=HNH, no=963, id=901, vol=6.740000e+07
assign (resid 59 and name HN) (resid 59 and name HB2) 2.587 0.836 0.836 weight 1.000 ! spec=HNH, no=964, id=902, vol=7.230000e+07
assign (resid 59 and name HN) (resid 59 and name HB1) 2.800 0.980 0.980 weight 1.000 ! spec=HNH, no=965, id=903, vol=4.490000e+07
assign (resid 59 and name HN) (resid 60 and name HA2) 3.274 1.340 1.340 weight 1.000 ! spec=HNH, no=967, id=905, vol=1.760000e+07
assign (resid 59 and name HN) (resid 60 and name HA1) 3.339 1.394 1.394 weight 1.000 ! spec=HNH, no=968, id=906, vol=1.560000e+07
assign (resid 60 and name HN) (resid 57 and name HN) 4.311 2.323 2.323 weight 1.000 ! spec=HNH, no=973, id=910, vol=3.370000e+06
assign (resid 60 and name HN) (resid 57 and name HA) 2.910 1.058 1.058 weight 1.000 ! spec=HNH, no=974, id=911, vol=3.570000e+07
assign (resid 60 and name HN) (resid 57 and name HB) 3.701 1.712 1.712 weight 1.000 ! spec=HNH, no=975, id=912, vol=8.430000e+06
assign (resid 60 and name HN) (resid 57 and name HG21) 3.792 1.797 1.797 weight 1.000 ! spec=HNH, no=976, id=913, vol=7.290000e+06
    or (resid 60 and name HN) (resid 57 and name HG22)
    or (resid 60 and name HN) (resid 57 and name HG23)
assign (resid 60 and name HN) (resid 58 and name HB2) 3.983 1.983 1.983 weight 1.000 ! spec=HNH, no=978, id=915, vol=5.420000e+06
assign (resid 60 and name HN) (resid 58 and name HB1) 3.993 1.993 1.993 weight 1.000 ! spec=HNH, no=979, id=916, vol=5.340000e+06
assign (resid 59 and name HN) (resid 60 and name HN) 2.511 0.788 0.788 weight 1.000 ! spec=HNH, no=980, id=917, vol=8.650000e+07
assign (resid 60 and name HN) (resid 59 and name HA) 2.936 1.078 1.078 weight 1.000 ! spec=HNH, no=981, id=918, vol=3.380000e+07
assign (resid 60 and name HN) (resid 59 and name HB2) 3.426 1.467 1.467 weight 1.000 ! spec=HNH, no=982, id=919, vol=1.340000e+07
assign (resid 60 and name HN) (resid 59 and name HB1) 3.420 1.462 1.462 weight 1.000 ! spec=HNH, no=983, id=920, vol=1.350000e+07
assign (resid 60 and name HN) (resid 60 and name HA2) 2.400 0.720 0.720 weight 1.000 ! spec=HNH, no=985, id=921, vol=1.130000e+08
assign (resid 60 and name HN) (resid 60 and name HA1) 2.465 0.760 0.760 weight 1.000 ! spec=HNH, no=986, id=922, vol=9.650000e+07
assign (resid 60 and name HN) (resid 61 and name HN) 2.557 0.817 0.817 weight 1.000 ! spec=HNH, no=987, id=923, vol=7.750000e+07
assign (resid 60 and name HN) (resid 61 and name HA) 3.898 1.899 1.899 weight 1.000 ! spec=HNH, no=988, id=924, vol=6.180000e+06
assign (resid 60 and name HN) (resid 61 and name HB2) 3.460 1.496 1.496 weight 1.000 ! spec=HNH, no=989, id=925, vol=1.260000e+07
    or (resid 60 and name HN) (resid 61 and name HB1)
    or (resid 60 and name HN) (resid 61 and name HB3)
assign (resid 61 and name HN) (resid 57 and name HB) 3.357 1.409 1.409 weight 1.000 ! spec=HNH, no=993, id=929, vol=1.510000e+07
assign (resid 61 and name HN) (resid 59 and name HA) 3.133 1.227 1.227 weight 1.000 ! spec=HNH, no=994, id=930, vol=2.290000e+07
assign (resid 61 and name HN) (resid 29 and name HZ3) 3.782 1.788 1.788 weight 1.000 ! spec=HNH, no=996, id=932, vol=7.400000e+06
assign (resid 61 and name HN) (resid 56 and name HB2) 3.589 1.610 1.610 weight 1.000 ! spec=HNH, no=997, id=933, vol=1.010000e+07
assign (resid 57 and name HN) (resid 61 and name HN) 3.768 1.774 1.774 weight 1.000 ! spec=HNH, no=998, id=934, vol=7.570000e+06
assign (resid 61 and name HN) (resid 57 and name HA) 2.588 0.837 0.837 weight 1.000 ! spec=HNH, no=999, id=935, vol=7.210000e+07
assign (resid 59 and name HN) (resid 61 and name HN) 2.869 1.029 1.029 weight 1.000 ! spec=HNH, no=1000, id=936, vol=3.880000e+07
assign (resid 61 and name HN) (resid 59 and name HB2) 3.207 1.285 1.285 weight 1.000 ! spec=HNH, no=1001, id=937, vol=1.990000e+07
assign (resid 61 and name HN) (resid 59 and name HB1) 3.510 1.540 1.540 weight 1.000 ! spec=HNH, no=1002, id=938, vol=1.160000e+07
assign (resid 61 and name HN) (resid 60 and name HA2) 2.817 0.992 0.992 weight 1.000 ! spec=HNH, no=1004, id=940, vol=4.330000e+07
assign (resid 61 and name HN) (resid 60 and name HA1) 2.793 0.975 0.975 weight 1.000 ! spec=HNH, no=1005, id=941, vol=4.560000e+07
assign (resid 61 and name HN) (resid 61 and name HA) 2.778 0.965 0.965 weight 1.000 ! spec=HNH, no=1007, id=942, vol=4.710000e+07
assign (resid 61 and name HN) (resid 61 and name HB2) 2.427 0.737 0.737 weight 1.000 ! spec=HNH, no=1008, id=943, vol=1.060000e+08
    or (resid 61 and name HN) (resid 61 and name HB1)
    or (resid 61 and name HN) (resid 61 and name HB3)
assign (resid 61 and name HN) (resid 62 and name HN) 3.338 1.393 1.393 weight 1.000 ! spec=HNH, no=1009, id=944, vol=1.570000e+07
assign (resid 61 and name HN) (resid 155 and name HG21) 4.027 2.027 2.027 weight 1.000 ! spec=HNH, no=1010, id=945, vol=5.080000e+06
    or (resid 61 and name HN) (resid 155 and name HG22)
    or (resid 61 and name HN) (resid 155 and name HG23)
assign (resid 62 and name HN) (resid 29 and name HZ3) 3.912 1.913 1.913 weight 1.000 ! spec=HNH, no=1015, id=950, vol=6.040000e+06
assign (resid 62 and name HN) (resid 61 and name HA) 2.618 0.857 0.857 weight 1.000 ! spec=HNH, no=1017, id=952, vol=6.730000e+07
assign (resid 62 and name HN) (resid 62 and name HB2) 2.890 1.044 1.044 weight 1.000 ! spec=HNH, no=1021, id=955, vol=3.720000e+07
assign (resid 62 and name HN) (resid 62 and name HB1) 3.136 1.229 1.229 weight 1.000 ! spec=HNH, no=1022, id=956, vol=2.280000e+07
assign (resid 62 and name HN) (resid 153 and name HB2) 3.569 1.592 1.592 weight 1.000 ! spec=HNH, no=1025, id=959, vol=1.050000e+07
assign (resid 62 and name HN) (resid 153 and name HB1) 3.153 1.243 1.243 weight 1.000 ! spec=HNH, no=1026, id=960, vol=2.200000e+07
assign (resid 62 and name HN) (resid 154 and name HA) 4.295 2.306 2.306 weight 1.000 ! spec=HNH, no=1028, id=962, vol=3.450000e+06
assign (resid 62 and name HN) (resid 155 and name HA) 3.542 1.568 1.568 weight 1.000 ! spec=HNH, no=1031, id=965, vol=1.100000e+07
assign (resid 62 and name HN) (resid 155 and name HB) 3.387 1.434 1.434 weight 1.000 ! spec=HNH, no=1032, id=966, vol=1.440000e+07
assign (resid 62 and name HN) (resid 155 and name HG21) 3.594 1.615 1.615 weight 1.000 ! spec=HNH, no=1033, id=967, vol=1.000000e+07
    or (resid 62 and name HN) (resid 155 and name HG22)
    or (resid 62 and name HN) (resid 155 and name HG23)
assign (resid 62 and name HN) (resid 63 and name HN) 3.408 1.452 1.452 weight 1.000 ! spec=HNH, no=1040, id=973, vol=1.380000e+07
assign (resid 63 and name HN) (resid 62 and name HA) 2.524 0.796 0.796 weight 1.000 ! spec=HNH, no=1041, id=974, vol=8.380000e+07
assign (resid 63 and name HN) (resid 62 and name HB1) 2.984 1.113 1.113 weight 1.000 ! spec=HNH, no=1042, id=975, vol=3.070000e+07
assign (resid 63 and name HN) (resid 63 and name HB2) 2.723 0.927 0.927 weight 1.000 ! spec=HNH, no=1044, id=976, vol=5.320000e+07
assign (resid 63 and name HN) (resid 63 and name HG1) 3.531 1.559 1.559 weight 1.000 ! spec=HNH, no=1046, id=978, vol=1.120000e+07
assign (resid 63 and name HN) (resid 63 and name HE2) 3.507 1.538 1.538 weight 1.000 ! spec=HNH, no=1047, id=979, vol=1.160000e+07
    or (resid 63 and name HN) (resid 63 and name HE1)
    or (resid 63 and name HN) (resid 63 and name HE3)
assign (resid 63 and name HN) (resid 64 and name HN) 3.345 1.399 1.399 weight 1.000 ! spec=HNH, no=1048, id=980, vol=1.550000e+07
assign (resid 63 and name HN) (resid 64 and name HA) 4.024 2.024 2.024 weight 1.000 ! spec=HNH, no=1049, id=981, vol=5.100000e+06
assign (resid 63 and name HN) (resid 105 and name HN) 4.309 2.321 2.321 weight 1.000 ! spec=HNH, no=1051, id=983, vol=3.390000e+06
assign (resid 63 and name HN) (resid 151 and name HG21) 3.788 1.793 1.793 weight 1.000 ! spec=HNH, no=1052, id=984, vol=7.340000e+06
    or (resid 63 and name HN) (resid 151 and name HG22)
    or (resid 63 and name HN) (resid 151 and name HG23)
assign (resid 63 and name HN) (resid 153 and name HA) 3.979 1.979 1.979 weight 1.000 ! spec=HNH, no=1053, id=985, vol=5.460000e+06
assign (resid 64 and name HN) (resid 152 and name HG) 3.173 1.259 1.259 weight 1.000 ! spec=HNH, no=1057, id=989, vol=2.120000e+07
assign (resid 64 and name HN) (resid 63 and name HA) 2.513 0.789 0.789 weight 1.000 ! spec=HNH, no=1059, id=991, vol=8.600000e+07
assign (resid 64 and name HN) (resid 63 and name HB2) 3.067 1.176 1.176 weight 1.000 ! spec=HNH, no=1060, id=992, vol=2.600000e+07
assign (resid 64 and name HN) (resid 63 and name HB1) 2.691 0.905 0.905 weight 1.000 ! spec=HNH, no=1061, id=993, vol=5.700000e+07
assign (resid 64 and name HN) (resid 63 and name HE2) 3.356 1.408 1.408 weight 1.000 ! spec=HNH, no=1063, id=995, vol=1.520000e+07
    or (resid 64 and name HN) (resid 63 and name HE1)
    or (resid 64 and name HN) (resid 63 and name HE3)
assign (resid 64 and name HN) (resid 64 and name HA) 2.943 1.083 1.083 weight 1.000 ! spec=HNH, no=1065, id=996, vol=3.330000e+07
assign (resid 64 and name HN) (resid 64 and name HB) 2.463 0.758 0.758 weight 1.000 ! spec=HNH, no=1066, id=997, vol=9.710000e+07
assign (resid 64 and name HN) (resid 65 and name HN) 3.698 1.709 1.709 weight 1.000 ! spec=HNH, no=1069, id=1000, vol=8.480000e+06
assign (resid 64 and name HN) (resid 153 and name HA) 3.154 1.244 1.244 weight 1.000 ! spec=HNH, no=1070, id=1001, vol=2.200000e+07
assign (resid 65 and name HN) (resid 75 and name HD12) 3.579 1.601 1.601 weight 1.000 ! spec=HNH, no=1072, id=1003, vol=1.030000e+07
    or (resid 65 and name HN) (resid 75 and name HD11)
    or (resid 65 and name HN) (resid 75 and name HD13)
assign (resid 65 and name HN) (resid 154 and name HE2) 3.284 1.348 1.348 weight 1.000 ! spec=HNH, no=1076, id=1007, vol=1.730000e+07
    or (resid 65 and name HN) (resid 154 and name HE1)
assign (resid 65 and name HN) (resid 64 and name HA) 2.369 0.701 0.701 weight 1.000 ! spec=HNH, no=1081, id=1012, vol=1.230000e+08
assign (resid 65 and name HN) (resid 65 and name HB2) 3.660 1.674 1.674 weight 1.000 ! spec=HNH, no=1085, id=1015, vol=9.010000e+06
assign (resid 65 and name HN) (resid 91 and name HD12) 4.351 2.366 2.366 weight 1.000 ! spec=HNH, no=1088, id=1018, vol=3.190000e+06
    or (resid 65 and name HN) (resid 91 and name HD11)
    or (resid 65 and name HN) (resid 91 and name HD13)
assign (resid 65 and name HN) (resid 91 and name HD22) 4.493 2.523 2.523 weight 1.000 ! spec=HNH, no=1089, id=1019, vol=2.630000e+06
    or (resid 65 and name HN) (resid 91 and name HD21)
    or (resid 65 and name HN) (resid 91 and name HD23)
assign (resid 65 and name HN) (resid 92 and name HN) 3.530 1.558 1.558 weight 1.000 ! spec=HNH, no=1090, id=1020, vol=1.120000e+07
assign (resid 65 and name HN) (resid 154 and name HB2) 3.341 1.395 1.395 weight 1.000 ! spec=HNH, no=1092, id=1022, vol=1.560000e+07
assign (resid 65 and name HN) (resid 154 and name HG2) 3.489 1.522 1.522 weight 1.000 ! spec=HNH, no=1093, id=1023, vol=1.200000e+07
assign (resid 65 and name HN) (resid 66 and name HN) 3.687 1.699 1.699 weight 1.000 ! spec=HNH, no=1102, id=1031, vol=8.620000e+06
assign (resid 66 and name HN) (resid 65 and name HA) 2.651 0.878 0.878 weight 1.000 ! spec=HNH, no=1103, id=1032, vol=6.250000e+07
assign (resid 66 and name HN) (resid 65 and name HB2) 3.461 1.497 1.497 weight 1.000 ! spec=HNH, no=1104, id=1033, vol=1.260000e+07
assign (resid 66 and name HN) (resid 66 and name HA) 3.082 1.187 1.187 weight 1.000 ! spec=HNH, no=1106, id=1034, vol=2.530000e+07
assign (resid 66 and name HN) (resid 66 and name HB) 2.831 1.002 1.002 weight 1.000 ! spec=HNH, no=1107, id=1035, vol=4.210000e+07
assign (resid 66 and name HN) (resid 66 and name HG12) 3.268 1.335 1.335 weight 1.000 ! spec=HNH, no=1108, id=1036, vol=1.780000e+07
assign (resid 66 and name HN) (resid 66 and name HG11) 2.807 0.985 0.985 weight 1.000 ! spec=HNH, no=1109, id=1037, vol=4.430000e+07
assign (resid 66 and name HN) (resid 66 and name HD12) 3.160 1.248 1.248 weight 1.000 ! spec=HNH, no=1110, id=1038, vol=2.180000e+07
    or (resid 66 and name HN) (resid 66 and name HD11)
    or (resid 66 and name HN) (resid 66 and name HD13)
assign (resid 66 and name HN) (resid 66 and name HG22) 3.132 1.226 1.226 weight 1.000 ! spec=HNH, no=1111, id=1039, vol=2.290000e+07
    or (resid 66 and name HN) (resid 66 and name HG21)
    or (resid 66 and name HN) (resid 66 and name HG23)
assign (resid 66 and name HN) (resid 67 and name HN) 3.797 1.803 1.803 weight 1.000 ! spec=HNH, no=1112, id=1040, vol=7.220000e+06
assign (resid 66 and name HN) (resid 104 and name HH2) 2.997 1.122 1.122 weight 1.000 ! spec=HNH, no=1113, id=1041, vol=2.990000e+07
assign (resid 66 and name HN) (resid 138 and name HZ2) 3.493 1.525 1.525 weight 1.000 ! spec=HNH, no=1116, id=1044, vol=1.190000e+07
assign (resid 67 and name HN) (resid 66 and name HA) 2.372 0.703 0.703 weight 1.000 ! spec=HNH, no=1118, id=1046, vol=1.220000e+08
assign (resid 67 and name HN) (resid 66 and name HG12) 3.465 1.501 1.501 weight 1.000 ! spec=HNH, no=1121, id=1049, vol=1.250000e+07
assign (resid 67 and name HN) (resid 67 and name HA) 2.994 1.121 1.121 weight 1.000 ! spec=HNH, no=1122, id=1050, vol=3.010000e+07
assign (resid 67 and name HN) (resid 67 and name HB1) 3.120 1.217 1.217 weight 1.000 ! spec=HNH, no=1123, id=1051, vol=2.350000e+07
assign (resid 67 and name HN) (resid 68 and name HD21) 3.749 1.757 1.757 weight 1.000 ! spec=HNH, no=1125, id=1053, vol=7.800000e+06
assign (resid 68 and name HN) (resid 71 and name HA) 3.759 1.766 1.766 weight 1.000 ! spec=HNH, no=1128, id=1056, vol=7.680000e+06
assign (resid 68 and name HN) (resid 72 and name HA) 3.799 1.804 1.804 weight 1.000 ! spec=HNH, no=1129, id=1057, vol=7.210000e+06
assign (resid 68 and name HN) (resid 112 and name HN) 4.023 2.023 2.023 weight 1.000 ! spec=HNH, no=1133, id=1060, vol=5.110000e+06
assign (resid 68 and name HN) (resid 66 and name HA) 3.035 1.151 1.151 weight 1.000 ! spec=HNH, no=1136, id=1063, vol=2.770000e+07
assign (resid 68 and name HN) (resid 66 and name HB) 3.555 1.580 1.580 weight 1.000 ! spec=HNH, no=1137, id=1064, vol=1.070000e+07
assign (resid 68 and name HN) (resid 66 and name HG12) 3.640 1.656 1.656 weight 1.000 ! spec=HNH, no=1138, id=1065, vol=9.320000e+06
assign (resid 68 and name HN) (resid 66 and name HD12) 3.616 1.635 1.635 weight 1.000 ! spec=HNH, no=1139, id=1066, vol=9.680000e+06
    or (resid 68 and name HN) (resid 66 and name HD11)
    or (resid 68 and name HN) (resid 66 and name HD13)
assign (resid 68 and name HN) (resid 66 and name HG22) 2.372 0.704 0.704 weight 1.000 ! spec=HNH, no=1140, id=1067, vol=1.210000e+08
    or (resid 68 and name HN) (resid 66 and name HG21)
    or (resid 68 and name HN) (resid 66 and name HG23)
assign (resid 67 and name HN) (resid 68 and name HN) 2.461 0.757 0.757 weight 1.000 ! spec=HNH, no=1141, id=1068, vol=9.760000e+07
assign (resid 68 and name HN) (resid 67 and name HB2) 3.290 1.353 1.353 weight 1.000 ! spec=HNH, no=1143, id=1070, vol=1.710000e+07
assign (resid 68 and name HN) (resid 68 and name HA) 2.730 0.931 0.931 weight 1.000 ! spec=HNH, no=1145, id=1071, vol=5.240000e+07
assign (resid 68 and name HN) (resid 68 and name HB2) 3.194 1.276 1.276 weight 1.000 ! spec=HNH, no=1146, id=1072, vol=2.040000e+07
assign (resid 68 and name HN) (resid 68 and name HB1) 3.099 1.200 1.200 weight 1.000 ! spec=HNH, no=1147, id=1073, vol=2.450000e+07
assign (resid 68 and name HN) (resid 68 and name HD21) 3.462 1.498 1.498 weight 1.000 ! spec=HNH, no=1148, id=1074, vol=1.260000e+07
assign (resid 68 and name HN) (resid 69 and name HN) 3.217 1.293 1.293 weight 1.000 ! spec=HNH, no=1149, id=1075, vol=1.960000e+07
assign (resid 68 and name HN) (resid 71 and name HN) 3.169 1.255 1.255 weight 1.000 ! spec=HNH, no=1151, id=1077, vol=2.140000e+07
assign (resid 68 and name HN) (resid 71 and name HB2) 2.534 0.803 0.803 weight 1.000 ! spec=HNH, no=1152, id=1078, vol=8.180000e+07
assign (resid 68 and name HN) (resid 72 and name HB2) 3.203 1.282 1.282 weight 1.000 ! spec=HNH, no=1153, id=1079, vol=2.010000e+07
assign (resid 68 and name HN) (resid 112 and name HB2) 3.633 1.650 1.650 weight 1.000 ! spec=HNH, no=1154, id=1080, vol=9.420000e+06
assign (resid 68 and name HD21) (resid 33 and name HE22) 3.661 1.676 1.676 weight 1.000 ! spec=HNH, no=1157, id=1083, vol=8.990000e+06
assign (resid 68 and name HD22) (resid 33 and name HE22) 3.540 1.567 1.567 weight 1.000 ! spec=HNH, no=1162, id=1088, vol=1.100000e+07
assign (resid 68 and name HD21) (resid 67 and name HB1) 3.677 1.690 1.690 weight 1.000 ! spec=HNH, no=1163, id=1089, vol=8.760000e+06
assign (resid 68 and name HD22) (resid 67 and name HB1) 4.056 2.056 2.056 weight 1.000 ! spec=HNH, no=1164, id=1090, vol=4.870000e+06
assign (resid 68 and name HD22) (resid 68 and name HA) 3.753 1.761 1.761 weight 1.000 ! spec=HNH, no=1165, id=1091, vol=7.750000e+06
assign (resid 68 and name HD21) (resid 68 and name HB2) 2.914 1.061 1.061 weight 1.000 ! spec=HNH, no=1166, id=1092, vol=3.540000e+07
assign (resid 68 and name HD22) (resid 68 and name HB2) 3.231 1.305 1.305 weight 1.000 ! spec=HNH, no=1167, id=1093, vol=1.900000e+07
assign (resid 68 and name HD21) (resid 68 and name HB1) 2.704 0.914 0.914 weight 1.000 ! spec=HNH, no=1168, id=1094, vol=5.550000e+07
assign (resid 68 and name HD22) (resid 68 and name HD21) 2.058 0.529 0.529 weight 1.000 ! spec=HNH, no=1172, id=1097, vol=2.850000e+08
assign (resid 68 and name HD22) (resid 70 and name HN) 3.931 1.932 1.932 weight 1.000 ! spec=HNH, no=1174, id=1098, vol=5.870000e+06
assign (resid 68 and name HD22) (resid 70 and name HB1) 3.669 1.683 1.683 weight 1.000 ! spec=HNH, no=1175, id=1099, vol=8.880000e+06
assign (resid 68 and name HD21) (resid 71 and name HN) 3.952 1.952 1.952 weight 1.000 ! spec=HNH, no=1176, id=1100, vol=5.680000e+06
assign (resid 68 and name HD22) (resid 71 and name HN) 3.955 1.955 1.955 weight 1.000 ! spec=HNH, no=1177, id=1101, vol=5.660000e+06
assign (resid 68 and name HD21) (resid 71 and name HB2) 3.481 1.514 1.514 weight 1.000 ! spec=HNH, no=1178, id=1102, vol=1.220000e+07
assign (resid 68 and name HD22) (resid 71 and name HB2) 3.513 1.543 1.543 weight 1.000 ! spec=HNH, no=1179, id=1103, vol=1.150000e+07
assign (resid 69 and name HN) (resid 68 and name HA) 2.438 0.743 0.743 weight 1.000 ! spec=HNH, no=1180, id=1104, vol=1.030000e+08
assign (resid 69 and name HN) (resid 112 and name HE1) 3.163 1.251 1.251 weight 1.000 ! spec=HNH, no=1185, id=1109, vol=2.160000e+07
assign (resid 70 and name HN) (resid 68 and name HB1) 2.494 0.777 0.777 weight 1.000 ! spec=HNH, no=1186, id=1110, vol=9.010000e+07
assign (resid 70 and name HN) (resid 69 and name HA) 2.826 0.998 0.998 weight 1.000 ! spec=HNH, no=1187, id=1111, vol=4.260000e+07
assign (resid 70 and name HN) (resid 69 and name HG2) 2.332 0.680 0.680 weight 1.000 ! spec=HNH, no=1188, id=1112, vol=1.350000e+08
assign (resid 70 and name HN) (resid 69 and name HG1) 2.582 0.833 0.833 weight 1.000 ! spec=HNH, no=1189, id=1113, vol=7.310000e+07
assign (resid 70 and name HN) (resid 70 and name HA) 2.524 0.796 0.796 weight 1.000 ! spec=HNH, no=1191, id=1114, vol=8.390000e+07
assign (resid 70 and name HN) (resid 70 and name HB1) 2.266 0.642 0.642 weight 1.000 ! spec=HNH, no=1193, id=1116, vol=1.600000e+08
assign (resid 70 and name HN) (resid 71 and name HN) 2.434 0.740 0.740 weight 1.000 ! spec=HNH, no=1194, id=1117, vol=1.040000e+08
assign (resid 70 and name HN) (resid 72 and name HN) 3.491 1.524 1.524 weight 1.000 ! spec=HNH, no=1196, id=1119, vol=1.200000e+07
assign (resid 71 and name HN) (resid 32 and name HZ) 3.291 1.354 1.354 weight 1.000 ! spec=HNH, no=1201, id=1124, vol=1.710000e+07
assign (resid 71 and name HN) (resid 74 and name HN) 3.701 1.712 1.712 weight 1.000 ! spec=HNH, no=1203, id=1126, vol=8.430000e+06
assign (resid 71 and name HN) (resid 67 and name HN) 3.685 1.697 1.697 weight 1.000 ! spec=HNH, no=1204, id=1127, vol=8.660000e+06
assign (resid 71 and name HN) (resid 66 and name HG12) 3.987 1.987 1.987 weight 1.000 ! spec=HNH, no=1209, id=1132, vol=5.400000e+06
assign (resid 71 and name HN) (resid 66 and name HD12) 4.002 2.002 2.002 weight 1.000 ! spec=HNH, no=1211, id=1134, vol=5.280000e+06
    or (resid 71 and name HN) (resid 66 and name HD11)
    or (resid 71 and name HN) (resid 66 and name HD13)
assign (resid 71 and name HN) (resid 66 and name HG22) 3.252 1.322 1.322 weight 1.000 ! spec=HNH, no=1212, id=1135, vol=1.830000e+07
    or (resid 71 and name HN) (resid 66 and name HG21)
    or (resid 71 and name HN) (resid 66 and name HG23)
assign (resid 71 and name HN) (resid 68 and name HA) 3.825 1.829 1.829 weight 1.000 ! spec=HNH, no=1213, id=1136, vol=6.920000e+06
assign (resid 71 and name HN) (resid 68 and name HB2) 3.669 1.683 1.683 weight 1.000 ! spec=HNH, no=1214, id=1137, vol=8.870000e+06
assign (resid 71 and name HN) (resid 68 and name HB1) 3.753 1.761 1.761 weight 1.000 ! spec=HNH, no=1215, id=1138, vol=7.750000e+06
assign (resid 71 and name HN) (resid 70 and name HA) 2.950 1.088 1.088 weight 1.000 ! spec=HNH, no=1218, id=1141, vol=3.290000e+07
assign (resid 71 and name HN) (resid 70 and name HB1) 2.330 0.679 0.679 weight 1.000 ! spec=HNH, no=1219, id=1142, vol=1.350000e+08
assign (resid 71 and name HN) (resid 71 and name HA) 2.805 0.984 0.984 weight 1.000 ! spec=HNH, no=1222, id=1144, vol=4.440000e+07
assign (resid 71 and name HN) (resid 71 and name HB2) 2.303 0.663 0.663 weight 1.000 ! spec=HNH, no=1223, id=1145, vol=1.450000e+08
assign (resid 71 and name HN) (resid 72 and name HN) 2.650 0.878 0.878 weight 1.000 ! spec=HNH, no=1224, id=1146, vol=6.260000e+07
assign (resid 71 and name HN) (resid 72 and name HB1) 3.518 1.547 1.547 weight 1.000 ! spec=HNH, no=1225, id=1147, vol=1.140000e+07
assign (resid 72 and name HN) (resid 73 and name HB2) 3.118 1.215 1.215 weight 1.000 ! spec=HNH, no=1228, id=1150, vol=2.360000e+07
    or (resid 72 and name HN) (resid 73 and name HB1)
    or (resid 72 and name HN) (resid 73 and name HB3)
assign (resid 72 and name HN) (resid 138 and name HZ2) 3.751 1.759 1.759 weight 1.000 ! spec=HNH, no=1232, id=1153, vol=7.770000e+06
assign (resid 72 and name HN) (resid 69 and name HA) 3.021 1.141 1.141 weight 1.000 ! spec=HNH, no=1234, id=1155, vol=2.850000e+07
assign (resid 72 and name HN) (resid 66 and name HG12) 3.554 1.579 1.579 weight 1.000 ! spec=HNH, no=1236, id=1157, vol=1.080000e+07
assign (resid 72 and name HN) (resid 66 and name HD12) 3.527 1.555 1.555 weight 1.000 ! spec=HNH, no=1238, id=1159, vol=1.130000e+07
    or (resid 72 and name HN) (resid 66 and name HD11)
    or (resid 72 and name HN) (resid 66 and name HD13)
assign (resid 68 and name HN) (resid 72 and name HN) 3.098 1.200 1.200 weight 1.000 ! spec=HNH, no=1240, id=1161, vol=2.450000e+07
assign (resid 72 and name HN) (resid 71 and name HA) 3.225 1.300 1.300 weight 1.000 ! spec=HNH, no=1242, id=1163, vol=1.930000e+07
assign (resid 72 and name HN) (resid 71 and name HB2) 2.673 0.893 0.893 weight 1.000 ! spec=HNH, no=1243, id=1164, vol=5.940000e+07
assign (resid 72 and name HN) (resid 72 and name HA) 2.638 0.870 0.870 weight 1.000 ! spec=HNH, no=1245, id=1165, vol=6.420000e+07
assign (resid 72 and name HN) (resid 72 and name HB2) 2.408 0.725 0.725 weight 1.000 ! spec=HNH, no=1246, id=1166, vol=1.110000e+08
assign (resid 72 and name HN) (resid 72 and name HB1) 2.572 0.827 0.827 weight 1.000 ! spec=HNH, no=1247, id=1167, vol=7.480000e+07
assign (resid 72 and name HN) (resid 72 and name HD21) 3.143 1.235 1.235 weight 1.000 ! spec=HNH, no=1248, id=1168, vol=2.250000e+07
assign (resid 72 and name HN) (resid 73 and name HN) 2.624 0.861 0.861 weight 1.000 ! spec=HNH, no=1250, id=1170, vol=6.640000e+07
assign (resid 72 and name HD21) (resid 69 and name HB1) 3.922 1.923 1.923 weight 1.000 ! spec=HNH, no=1256, id=1176, vol=5.950000e+06
assign (resid 72 and name HD21) (resid 76 and name HG) 3.925 1.926 1.926 weight 1.000 ! spec=HNH, no=1258, id=1178, vol=5.920000e+06
assign (resid 72 and name HD22) (resid 76 and name HB1) 3.903 1.904 1.904 weight 1.000 ! spec=HNH, no=1260, id=1180, vol=6.130000e+06
assign (resid 72 and name HD21) (resid 66 and name HG22) 3.684 1.697 1.697 weight 1.000 ! spec=HNH, no=1268, id=1188, vol=8.660000e+06
    or (resid 72 and name HD21) (resid 66 and name HG21)
    or (resid 72 and name HD21) (resid 66 and name HG23)
assign (resid 72 and name HD22) (resid 66 and name HG22) 3.812 1.816 1.816 weight 1.000 ! spec=HNH, no=1269, id=1189, vol=7.060000e+06
    or (resid 72 and name HD22) (resid 66 and name HG21)
    or (resid 72 and name HD22) (resid 66 and name HG23)
assign (resid 72 and name HD21) (resid 69 and name HA) 3.693 1.704 1.704 weight 1.000 ! spec=HNH, no=1270, id=1190, vol=8.540000e+06
assign (resid 72 and name HD21) (resid 72 and name HA) 3.287 1.351 1.351 weight 1.000 ! spec=HNH, no=1272, id=1192, vol=1.720000e+07
assign (resid 72 and name HD21) (resid 72 and name HB1) 2.773 0.961 0.961 weight 1.000 ! spec=HNH, no=1276, id=1196, vol=4.760000e+07
assign (resid 72 and name HD22) (resid 72 and name HB1) 3.078 1.184 1.184 weight 1.000 ! spec=HNH, no=1277, id=1197, vol=2.550000e+07
assign (resid 72 and name HD22) (resid 72 and name HD21) 2.194 0.602 0.602 weight 1.000 ! spec=HNH, no=1280, id=1199, vol=1.940000e+08
assign (resid 72 and name HD21) (resid 73 and name HN) 3.465 1.501 1.501 weight 1.000 ! spec=HNH, no=1282, id=1200, vol=1.250000e+07
assign (resid 72 and name HD21) (resid 73 and name HA) 3.420 1.462 1.462 weight 1.000 ! spec=HNH, no=1284, id=1202, vol=1.350000e+07
assign (resid 72 and name HD21) (resid 73 and name HB2) 3.139 1.232 1.232 weight 1.000 ! spec=HNH, no=1285, id=1203, vol=2.260000e+07
    or (resid 72 and name HD21) (resid 73 and name HB1)
    or (resid 72 and name HD21) (resid 73 and name HB3)
assign (resid 72 and name HD22) (resid 114 and name HB2) 4.088 2.089 2.089 weight 1.000 ! spec=HNH, no=1287, id=1205, vol=4.640000e+06
assign (resid 72 and name HD21) (resid 114 and name HE1) 3.273 1.339 1.339 weight 1.000 ! spec=HNH, no=1290, id=1208, vol=1.760000e+07
assign (resid 72 and name HD22) (resid 114 and name HE1) 3.378 1.427 1.427 weight 1.000 ! spec=HNH, no=1291, id=1209, vol=1.460000e+07
assign (resid 72 and name HD21) (resid 114 and name HG1) 3.472 1.507 1.507 weight 1.000 ! spec=HNH, no=1292, id=1210, vol=1.240000e+07
assign (resid 72 and name HD22) (resid 114 and name HG1) 3.438 1.478 1.478 weight 1.000 ! spec=HNH, no=1293, id=1211, vol=1.310000e+07
assign (resid 72 and name HD21) (resid 131 and name HD12) 2.799 0.980 0.980 weight 1.000 ! spec=HNH, no=1294, id=1212, vol=4.500000e+07
    or (resid 72 and name HD21) (resid 131 and name HD11)
    or (resid 72 and name HD21) (resid 131 and name HD13)
assign (resid 72 and name HD22) (resid 136 and name HN) 4.334 2.348 2.348 weight 1.000 ! spec=HNH, no=1297, id=1215, vol=3.270000e+06
assign (resid 72 and name HD21) (resid 136 and name HA2) 3.716 1.726 1.726 weight 1.000 ! spec=HNH, no=1298, id=1216, vol=8.230000e+06
assign (resid 72 and name HD21) (resid 136 and name HA1) 3.465 1.501 1.501 weight 1.000 ! spec=HNH, no=1300, id=1218, vol=1.250000e+07
assign (resid 72 and name HD22) (resid 138 and name HE1) 3.453 1.490 1.490 weight 1.000 ! spec=HNH, no=1304, id=1222, vol=1.280000e+07
assign (resid 73 and name HN) (resid 69 and name HA) 3.199 1.279 1.279 weight 1.000 ! spec=HNH, no=1309, id=1227, vol=2.020000e+07
assign (resid 73 and name HN) (resid 131 and name HD22) 3.869 1.871 1.871 weight 1.000 ! spec=HNH, no=1310, id=1228, vol=6.460000e+06
    or (resid 73 and name HN) (resid 131 and name HD21)
    or (resid 73 and name HN) (resid 131 and name HD23)
assign (resid 73 and name HN) (resid 76 and name HD12) 3.339 1.394 1.394 weight 1.000 ! spec=HNH, no=1317, id=1235, vol=1.560000e+07
    or (resid 73 and name HN) (resid 76 and name HD11)
    or (resid 73 and name HN) (resid 76 and name HD13)
assign (resid 73 and name HN) (resid 76 and name HN) 3.433 1.473 1.473 weight 1.000 ! spec=HNH, no=1320, id=1238, vol=1.320000e+07
assign (resid 73 and name HN) (resid 66 and name HG22) 3.297 1.359 1.359 weight 1.000 ! spec=HNH, no=1321, id=1239, vol=1.690000e+07
    or (resid 73 and name HN) (resid 66 and name HG21)
    or (resid 73 and name HN) (resid 66 and name HG23)
assign (resid 73 and name HN) (resid 72 and name HB2) 2.711 0.919 0.919 weight 1.000 ! spec=HNH, no=1326, id=1244, vol=5.450000e+07
assign (resid 73 and name HN) (resid 72 and name HB1) 2.566 0.823 0.823 weight 1.000 ! spec=HNH, no=1327, id=1245, vol=7.580000e+07
assign (resid 72 and name HD22) (resid 73 and name HN) 3.567 1.591 1.591 weight 1.000 ! spec=HNH, no=1328, id=1246, vol=1.050000e+07
assign (resid 73 and name HN) (resid 73 and name HA) 2.410 0.726 0.726 weight 1.000 ! spec=HNH, no=1330, id=1247, vol=1.110000e+08
assign (resid 73 and name HN) (resid 74 and name HN) 2.552 0.814 0.814 weight 1.000 ! spec=HNH, no=1332, id=1249, vol=7.850000e+07
assign (resid 73 and name HN) (resid 74 and name HD1) 4.159 2.162 2.162 weight 1.000 ! spec=HNH, no=1334, id=1251, vol=4.180000e+06
assign (resid 73 and name HN) (resid 112 and name HE1) 3.769 1.776 1.776 weight 1.000 ! spec=HNH, no=1335, id=1252, vol=7.550000e+06
assign (resid 74 and name HN) (resid 71 and name HA) 2.928 1.071 1.071 weight 1.000 ! spec=HNH, no=1348, id=1264, vol=3.440000e+07
assign (resid 74 and name HN) (resid 72 and name HN) 3.354 1.406 1.406 weight 1.000 ! spec=HNH, no=1350, id=1266, vol=1.520000e+07
assign (resid 74 and name HN) (resid 72 and name HB1) 3.666 1.680 1.680 weight 1.000 ! spec=HNH, no=1351, id=1267, vol=8.930000e+06
assign (resid 74 and name HN) (resid 74 and name HA) 2.421 0.733 0.733 weight 1.000 ! spec=HNH, no=1355, id=1270, vol=1.080000e+08
assign (resid 74 and name HN) (resid 74 and name HB2) 2.235 0.624 0.624 weight 1.000 ! spec=HNH, no=1356, id=1271, vol=1.740000e+08
assign (resid 74 and name HN) (resid 74 and name HB1) 2.264 0.641 0.641 weight 1.000 ! spec=HNH, no=1357, id=1272, vol=1.610000e+08
assign (resid 74 and name HN) (resid 75 and name HG12) 3.546 1.572 1.572 weight 1.000 ! spec=HNH, no=1361, id=1276, vol=1.090000e+07
assign (resid 74 and name HN) (resid 76 and name HB1) 3.472 1.507 1.507 weight 1.000 ! spec=HNH, no=1363, id=1278, vol=1.240000e+07
assign (resid 75 and name HN) (resid 76 and name HB1) 3.159 1.248 1.248 weight 1.000 ! spec=HNH, no=1365, id=1280, vol=2.180000e+07
assign (resid 75 and name HN) (resid 73 and name HN) 3.722 1.732 1.732 weight 1.000 ! spec=HNH, no=1366, id=1281, vol=8.150000e+06
assign (resid 75 and name HN) (resid 32 and name HD1) 4.039 2.039 2.039 weight 1.000 ! spec=HNH, no=1372, id=1287, vol=4.990000e+06
    or (resid 75 and name HN) (resid 32 and name HD2)
assign (resid 75 and name HN) (resid 71 and name HA) 3.473 1.508 1.508 weight 1.000 ! spec=HNH, no=1376, id=1291, vol=1.230000e+07
assign (resid 75 and name HN) (resid 74 and name HB1) 2.770 0.959 0.959 weight 1.000 ! spec=HNH, no=1379, id=1294, vol=4.800000e+07
assign (resid 75 and name HN) (resid 74 and name HE1) 3.787 1.792 1.792 weight 1.000 ! spec=HNH, no=1380, id=1295, vol=7.350000e+06
assign (resid 75 and name HN) (resid 74 and name HD1) 2.949 1.087 1.087 weight 1.000 ! spec=HNH, no=1381, id=1296, vol=3.290000e+07
assign (resid 75 and name HN) (resid 75 and name HA) 2.782 0.967 0.967 weight 1.000 ! spec=HNH, no=1383, id=1297, vol=4.680000e+07
assign (resid 75 and name HN) (resid 75 and name HB) 2.375 0.705 0.705 weight 1.000 ! spec=HNH, no=1384, id=1298, vol=1.210000e+08
assign (resid 75 and name HN) (resid 75 and name HG12) 2.752 0.946 0.946 weight 1.000 ! spec=HNH, no=1385, id=1299, vol=4.990000e+07
assign (resid 75 and name HN) (resid 75 and name HG11) 2.574 0.828 0.828 weight 1.000 ! spec=HNH, no=1386, id=1300, vol=7.440000e+07
assign (resid 75 and name HN) (resid 76 and name HA) 3.837 1.841 1.841 weight 1.000 ! spec=HNH, no=1390, id=1304, vol=6.790000e+06
assign (resid 76 and name HN) (resid 74 and name HD1) 4.205 2.210 2.210 weight 1.000 ! spec=HNH, no=1397, id=1310, vol=3.920000e+06
    or (resid 76 and name HN) (resid 74 and name HD2)
assign (resid 76 and name HN) (resid 73 and name HA) 2.778 0.965 0.965 weight 1.000 ! spec=HNH, no=1401, id=1314, vol=4.710000e+07
assign (resid 76 and name HN) (resid 74 and name HB1) 3.458 1.494 1.494 weight 1.000 ! spec=HNH, no=1404, id=1317, vol=1.270000e+07
assign (resid 75 and name HN) (resid 76 and name HN) 2.439 0.744 0.744 weight 1.000 ! spec=HNH, no=1405, id=1318, vol=1.030000e+08
assign (resid 76 and name HN) (resid 75 and name HA) 3.106 1.206 1.206 weight 1.000 ! spec=HNH, no=1406, id=1319, vol=2.410000e+07
assign (resid 76 and name HN) (resid 75 and name HB) 2.566 0.823 0.823 weight 1.000 ! spec=HNH, no=1407, id=1320, vol=7.600000e+07
assign (resid 76 and name HN) (resid 75 and name HG12) 3.343 1.397 1.397 weight 1.000 ! spec=HNH, no=1408, id=1321, vol=1.550000e+07
assign (resid 76 and name HN) (resid 76 and name HA) 2.629 0.864 0.864 weight 1.000 ! spec=HNH, no=1410, id=1322, vol=6.550000e+07
assign (resid 76 and name HN) (resid 76 and name HB1) 2.242 0.628 0.628 weight 1.000 ! spec=HNH, no=1412, id=1324, vol=1.710000e+08
assign (resid 76 and name HN) (resid 77 and name HN) 2.445 0.747 0.747 weight 1.000 ! spec=HNH, no=1414, id=1326, vol=1.010000e+08
assign (resid 76 and name HN) (resid 77 and name HB1) 3.552 1.577 1.577 weight 1.000 ! spec=HNH, no=1415, id=1327, vol=1.080000e+07
assign (resid 76 and name HN) (resid 78 and name HB) 3.823 1.827 1.827 weight 1.000 ! spec=HNH, no=1416, id=1328, vol=6.940000e+06
assign (resid 76 and name HN) (resid 131 and name HD22) 2.629 0.864 0.864 weight 1.000 ! spec=HNH, no=1418, id=1330, vol=6.560000e+07
    or (resid 76 and name HN) (resid 131 and name HD21)
    or (resid 76 and name HN) (resid 131 and name HD23)
assign (resid 77 and name HN) (resid 78 and name HG21) 4.030 2.030 2.030 weight 1.000 ! spec=HNH, no=1419, id=1331, vol=5.060000e+06
    or (resid 77 and name HN) (resid 78 and name HG22)
    or (resid 77 and name HN) (resid 78 and name HG23)
assign (resid 77 and name HN) (resid 75 and name HG12) 4.092 2.093 2.093 weight 1.000 ! spec=HNH, no=1423, id=1334, vol=4.610000e+06
assign (resid 77 and name HN) (resid 74 and name HA) 2.827 0.999 0.999 weight 1.000 ! spec=HNH, no=1428, id=1339, vol=4.250000e+07
assign (resid 77 and name HN) (resid 75 and name HA) 3.443 1.482 1.482 weight 1.000 ! spec=HNH, no=1429, id=1340, vol=1.300000e+07
assign (resid 77 and name HN) (resid 76 and name HA) 3.051 1.163 1.163 weight 1.000 ! spec=HNH, no=1431, id=1342, vol=2.690000e+07
assign (resid 77 and name HN) (resid 76 and name HB2) 2.592 0.840 0.840 weight 1.000 ! spec=HNH, no=1432, id=1343, vol=7.150000e+07
assign (resid 77 and name HN) (resid 76 and name HB1) 2.532 0.802 0.802 weight 1.000 ! spec=HNH, no=1433, id=1344, vol=8.210000e+07
assign (resid 77 and name HN) (resid 76 and name HD12) 3.116 1.214 1.214 weight 1.000 ! spec=HNH, no=1434, id=1345, vol=2.370000e+07
    or (resid 77 and name HN) (resid 76 and name HD11)
    or (resid 77 and name HN) (resid 76 and name HD13)
assign (resid 77 and name HN) (resid 77 and name HA) 2.514 0.790 0.790 weight 1.000 ! spec=HNH, no=1436, id=1346, vol=8.570000e+07
assign (resid 77 and name HN) (resid 77 and name HB1) 2.251 0.633 0.633 weight 1.000 ! spec=HNH, no=1438, id=1348, vol=1.670000e+08
assign (resid 77 and name HN) (resid 78 and name HA) 3.652 1.668 1.668 weight 1.000 ! spec=HNH, no=1440, id=1350, vol=9.120000e+06
assign (resid 77 and name HN) (resid 78 and name HB) 3.249 1.320 1.320 weight 1.000 ! spec=HNH, no=1441, id=1351, vol=1.840000e+07
assign (resid 78 and name HN) (resid 76 and name HN) 3.121 1.218 1.218 weight 1.000 ! spec=HNH, no=1443, id=1353, vol=2.340000e+07
assign (resid 78 and name HN) (resid 76 and name HD22) 4.005 2.005 2.005 weight 1.000 ! spec=HNH, no=1444, id=1354, vol=5.250000e+06
    or (resid 78 and name HN) (resid 76 and name HD21)
    or (resid 78 and name HN) (resid 76 and name HD23)
assign (resid 78 and name HN) (resid 76 and name HB1) 3.090 1.194 1.194 weight 1.000 ! spec=HNH, no=1450, id=1360, vol=2.490000e+07
assign (resid 78 and name HN) (resid 75 and name HA) 3.057 1.168 1.168 weight 1.000 ! spec=HNH, no=1452, id=1362, vol=2.660000e+07
assign (resid 77 and name HN) (resid 78 and name HN) 2.530 0.800 0.800 weight 1.000 ! spec=HNH, no=1454, id=1364, vol=8.250000e+07
assign (resid 78 and name HN) (resid 77 and name HB1) 2.805 0.984 0.984 weight 1.000 ! spec=HNH, no=1457, id=1367, vol=4.440000e+07
assign (resid 78 and name HN) (resid 78 and name HA) 2.590 0.839 0.839 weight 1.000 ! spec=HNH, no=1459, id=1368, vol=7.170000e+07
assign (resid 78 and name HN) (resid 78 and name HB) 2.264 0.641 0.641 weight 1.000 ! spec=HNH, no=1460, id=1369, vol=1.610000e+08
assign (resid 78 and name HN) (resid 78 and name HG21) 2.893 1.046 1.046 weight 1.000 ! spec=HNH, no=1461, id=1370, vol=3.700000e+07
    or (resid 78 and name HN) (resid 78 and name HG22)
    or (resid 78 and name HN) (resid 78 and name HG23)
assign (resid 78 and name HN) (resid 79 and name HB1) 3.235 1.308 1.308 weight 1.000 ! spec=HNH, no=1465, id=1374, vol=1.890000e+07
assign (resid 78 and name HN) (resid 79 and name HD22) 3.362 1.413 1.413 weight 1.000 ! spec=HNH, no=1466, id=1375, vol=1.500000e+07
    or (resid 78 and name HN) (resid 79 and name HD21)
    or (resid 78 and name HN) (resid 79 and name HD23)
assign (resid 79 and name HN) (resid 79 and name HB2) 2.599 0.844 0.844 weight 1.000 ! spec=HNH, no=1467, id=1376, vol=7.030000e+07
assign (resid 79 and name HN) (resid 81 and name HN) 3.305 1.365 1.365 weight 1.000 ! spec=HNH, no=1469, id=1378, vol=1.660000e+07
assign (resid 79 and name HN) (resid 83 and name HZ3) 3.694 1.706 1.706 weight 1.000 ! spec=HNH, no=1471, id=1380, vol=8.520000e+06
assign (resid 78 and name HN) (resid 79 and name HN) 2.360 0.696 0.696 weight 1.000 ! spec=HNH, no=1474, id=1383, vol=1.250000e+08
assign (resid 79 and name HN) (resid 78 and name HA) 2.994 1.121 1.121 weight 1.000 ! spec=HNH, no=1475, id=1384, vol=3.010000e+07
assign (resid 79 and name HN) (resid 78 and name HB) 2.572 0.827 0.827 weight 1.000 ! spec=HNH, no=1476, id=1385, vol=7.480000e+07
assign (resid 79 and name HN) (resid 78 and name HG21) 3.109 1.208 1.208 weight 1.000 ! spec=HNH, no=1477, id=1386, vol=2.400000e+07
    or (resid 79 and name HN) (resid 78 and name HG22)
    or (resid 79 and name HN) (resid 78 and name HG23)
assign (resid 79 and name HN) (resid 79 and name HA) 2.747 0.943 0.943 weight 1.000 ! spec=HNH, no=1478, id=1387, vol=5.040000e+07
assign (resid 79 and name HN) (resid 79 and name HB1) 2.378 0.707 0.707 weight 1.000 ! spec=HNH, no=1479, id=1388, vol=1.200000e+08
assign (resid 79 and name HN) (resid 79 and name HD22) 2.705 0.915 0.915 weight 1.000 ! spec=HNH, no=1481, id=1390, vol=5.530000e+07
    or (resid 79 and name HN) (resid 79 and name HD21)
    or (resid 79 and name HN) (resid 79 and name HD23)
assign (resid 79 and name HN) (resid 80 and name HN) 2.379 0.707 0.707 weight 1.000 ! spec=HNH, no=1482, id=1391, vol=1.200000e+08
assign (resid 80 and name HN) (resid 76 and name HA) 3.707 1.718 1.718 weight 1.000 ! spec=HNH, no=1488, id=1397, vol=8.350000e+06
assign (resid 80 and name HN) (resid 79 and name HD12) 3.848 1.851 1.851 weight 1.000 ! spec=HNH, no=1492, id=1401, vol=6.670000e+06
    or (resid 80 and name HN) (resid 79 and name HD11)
    or (resid 80 and name HN) (resid 79 and name HD13)
assign (resid 80 and name HN) (resid 80 and name HB2) 2.465 0.760 0.760 weight 1.000 ! spec=HNH, no=1496, id=1404, vol=9.650000e+07
assign (resid 80 and name HN) (resid 80 and name HG2) 2.873 1.032 1.032 weight 1.000 ! spec=HNH, no=1497, id=1405, vol=3.850000e+07
assign (resid 80 and name HN) (resid 82 and name HN) 3.456 1.493 1.493 weight 1.000 ! spec=HNH, no=1501, id=1409, vol=1.270000e+07
assign (resid 80 and name HN) (resid 133 and name HD12) 3.355 1.407 1.407 weight 1.000 ! spec=HNH, no=1502, id=1410, vol=1.520000e+07
    or (resid 80 and name HN) (resid 133 and name HD11)
    or (resid 80 and name HN) (resid 133 and name HD13)
assign (resid 81 and name HN) (resid 78 and name HA) 3.174 1.260 1.260 weight 1.000 ! spec=HNH, no=1506, id=1414, vol=2.120000e+07
assign (resid 80 and name HN) (resid 81 and name HN) 2.385 0.711 0.711 weight 1.000 ! spec=HNH, no=1508, id=1416, vol=1.180000e+08
assign (resid 81 and name HN) (resid 81 and name HA) 2.454 0.753 0.753 weight 1.000 ! spec=HNH, no=1511, id=1418, vol=9.920000e+07
assign (resid 81 and name HN) (resid 81 and name HB2) 2.332 0.680 0.680 weight 1.000 ! spec=HNH, no=1512, id=1419, vol=1.350000e+08
assign (resid 81 and name HN) (resid 81 and name HB1) 2.260 0.639 0.639 weight 1.000 ! spec=HNH, no=1513, id=1420, vol=1.620000e+08
assign (resid 81 and name HN) (resid 82 and name HN) 2.563 0.821 0.821 weight 1.000 ! spec=HNH, no=1515, id=1422, vol=7.640000e+07
assign (resid 82 and name HN) (resid 78 and name HG21) 3.523 1.551 1.551 weight 1.000 ! spec=HNH, no=1517, id=1424, vol=1.130000e+07
    or (resid 82 and name HN) (resid 78 and name HG22)
    or (resid 82 and name HN) (resid 78 and name HG23)
assign (resid 82 and name HN) (resid 30 and name HD12) 3.713 1.723 1.723 weight 1.000 ! spec=HNH, no=1518, id=1425, vol=8.270000e+06
    or (resid 82 and name HN) (resid 30 and name HD11)
    or (resid 82 and name HN) (resid 30 and name HD13)
assign (resid 82 and name HN) (resid 78 and name HB) 4.072 2.073 2.073 weight 1.000 ! spec=HNH, no=1520, id=1427, vol=4.750000e+06
assign (resid 82 and name HN) (resid 81 and name HA) 2.870 1.030 1.030 weight 1.000 ! spec=HNH, no=1526, id=1433, vol=3.870000e+07
assign (resid 82 and name HN) (resid 82 and name HB2) 2.594 0.841 0.841 weight 1.000 ! spec=HNH, no=1528, id=1434, vol=7.100000e+07
assign (resid 82 and name HN) (resid 83 and name HB2) 3.476 1.510 1.510 weight 1.000 ! spec=HNH, no=1532, id=1438, vol=1.230000e+07
assign (resid 82 and name HE21) (resid 28 and name HA) 3.971 1.971 1.971 weight 1.000 ! spec=HNH, no=1533, id=1439, vol=5.530000e+06
assign (resid 82 and name HE21) (resid 82 and name HB2) 3.611 1.630 1.630 weight 1.000 ! spec=HNH, no=1536, id=1442, vol=9.770000e+06
assign (resid 82 and name HE22) (resid 82 and name HA) 4.013 2.013 2.013 weight 1.000 ! spec=HNH, no=1539, id=1445, vol=5.180000e+06
assign (resid 82 and name HE22) (resid 82 and name HB2) 3.799 1.805 1.805 weight 1.000 ! spec=HNH, no=1545, id=1450, vol=7.200000e+06
assign (resid 82 and name HE21) (resid 30 and name HG12) 3.663 1.677 1.677 weight 1.000 ! spec=HNH, no=1546, id=1451, vol=8.970000e+06
assign (resid 82 and name HE21) (resid 30 and name HG11) 3.255 1.324 1.324 weight 1.000 ! spec=HNH, no=1548, id=1453, vol=1.820000e+07
assign (resid 82 and name HE22) (resid 30 and name HG11) 3.526 1.554 1.554 weight 1.000 ! spec=HNH, no=1549, id=1454, vol=1.130000e+07
assign (resid 82 and name HE21) (resid 30 and name HG22) 3.825 1.829 1.829 weight 1.000 ! spec=HNH, no=1550, id=1455, vol=6.910000e+06
    or (resid 82 and name HE21) (resid 30 and name HG21)
    or (resid 82 and name HE21) (resid 30 and name HG23)
assign (resid 82 and name HE22) (resid 30 and name HG22) 3.890 1.891 1.891 weight 1.000 ! spec=HNH, no=1551, id=1456, vol=6.250000e+06
    or (resid 82 and name HE22) (resid 30 and name HG21)
    or (resid 82 and name HE22) (resid 30 and name HG23)
assign (resid 82 and name HE21) (resid 78 and name HA) 4.327 2.341 2.341 weight 1.000 ! spec=HNH, no=1552, id=1457, vol=3.300000e+06
assign (resid 82 and name HE21) (resid 78 and name HG21) 3.331 1.387 1.387 weight 1.000 ! spec=HNH, no=1553, id=1458, vol=1.590000e+07
    or (resid 82 and name HE21) (resid 78 and name HG22)
    or (resid 82 and name HE21) (resid 78 and name HG23)
assign (resid 82 and name HE22) (resid 81 and name HE2) 4.253 2.261 2.261 weight 1.000 ! spec=HNH, no=1556, id=1461, vol=3.660000e+06
assign (resid 82 and name HE22) (resid 82 and name HE21) 1.595 0.318 0.318 weight 1.000 ! spec=HNH, no=1561, id=1465, vol=1.320000e+09
assign (resid 82 and name HE21) (resid 82 and name HG2) 2.858 1.021 1.021 weight 1.000 ! spec=HNH, no=1563, id=1466, vol=3.980000e+07
assign (resid 82 and name HE22) (resid 82 and name HG2) 3.084 1.189 1.189 weight 1.000 ! spec=HNH, no=1564, id=1467, vol=2.520000e+07
assign (resid 82 and name HE21) (resid 82 and name HG1) 2.716 0.922 0.922 weight 1.000 ! spec=HNH, no=1565, id=1468, vol=5.390000e+07
assign (resid 82 and name HE22) (resid 82 and name HG1) 3.060 1.170 1.170 weight 1.000 ! spec=HNH, no=1566, id=1469, vol=2.640000e+07
assign (resid 82 and name HE21) (resid 83 and name HE1) 4.192 2.196 2.196 weight 1.000 ! spec=HNH, no=1567, id=1470, vol=3.990000e+06
assign (resid 82 and name HE22) (resid 83 and name HE1) 4.295 2.306 2.306 weight 1.000 ! spec=HNH, no=1568, id=1471, vol=3.450000e+06
assign (resid 83 and name HN) (resid 78 and name HA) 4.192 2.196 2.196 weight 1.000 ! spec=HNH, no=1581, id=1483, vol=3.990000e+06
assign (resid 83 and name HN) (resid 78 and name HG21) 3.597 1.618 1.618 weight 1.000 ! spec=HNH, no=1582, id=1484, vol=9.990000e+06
    or (resid 83 and name HN) (resid 78 and name HG22)
    or (resid 83 and name HN) (resid 78 and name HG23)
assign (resid 83 and name HN) (resid 83 and name HA) 3.084 1.189 1.189 weight 1.000 ! spec=HNH, no=1588, id=1489, vol=2.520000e+07
assign (resid 83 and name HN) (resid 83 and name HB2) 2.593 0.840 0.840 weight 1.000 ! spec=HNH, no=1589, id=1490, vol=7.130000e+07
assign (resid 83 and name HE1) (resid 30 and name HD12) 2.867 1.027 1.027 weight 1.000 ! spec=HNH, no=1591, id=1492, vol=3.900000e+07
    or (resid 83 and name HE1) (resid 30 and name HD11)
    or (resid 83 and name HE1) (resid 30 and name HD13)
assign (resid 83 and name HE1) (resid 79 and name HD12) 4.272 2.281 2.281 weight 1.000 ! spec=HNH, no=1607, id=1505, vol=3.560000e+06
    or (resid 83 and name HE1) (resid 79 and name HD11)
    or (resid 83 and name HE1) (resid 79 and name HD13)
assign (resid 83 and name HE1) (resid 38 and name HG11) 3.913 1.914 1.914 weight 1.000 ! spec=HNH, no=1608, id=1506, vol=6.040000e+06
assign (resid 83 and name HE1) (resid 83 and name HD1) 3.405 1.450 1.450 weight 1.000 ! spec=HNH, no=1618, id=1513, vol=1.390000e+07
assign (resid 83 and name HE1) (resid 83 and name HB2) 3.724 1.734 1.734 weight 1.000 ! spec=HNH, no=1628, id=1521, vol=8.120000e+06
    or (resid 83 and name HE1) (resid 83 and name HB1)
assign (resid 83 and name HE1) (resid 30 and name HG11) 3.360 1.411 1.411 weight 1.000 ! spec=HNH, no=1630, id=1523, vol=1.500000e+07
assign (resid 83 and name HE1) (resid 37 and name HB1) 4.320 2.333 2.333 weight 1.000 ! spec=HNH, no=1631, id=1524, vol=3.330000e+06
assign (resid 83 and name HE1) (resid 38 and name HA) 3.625 1.643 1.643 weight 1.000 ! spec=HNH, no=1632, id=1525, vol=9.550000e+06
assign (resid 83 and name HE1) (resid 78 and name HG21) 3.871 1.873 1.873 weight 1.000 ! spec=HNH, no=1633, id=1526, vol=6.430000e+06
    or (resid 83 and name HE1) (resid 78 and name HG22)
    or (resid 83 and name HE1) (resid 78 and name HG23)
assign (resid 83 and name HE1) (resid 82 and name HG2) 3.210 1.288 1.288 weight 1.000 ! spec=HNH, no=1635, id=1528, vol=1.980000e+07
assign (resid 83 and name HE1) (resid 83 and name HN) 4.013 2.013 2.013 weight 1.000 ! spec=HNH, no=1636, id=1529, vol=5.180000e+06
assign (resid 84 and name HN) (resid 83 and name HB2) 3.229 1.304 1.304 weight 1.000 ! spec=HNH, no=1642, id=1534, vol=1.910000e+07
    or (resid 84 and name HN) (resid 83 and name HB1)
assign (resid 84 and name HN) (resid 83 and name HD1) 3.873 1.875 1.875 weight 1.000 ! spec=HNH, no=1644, id=1536, vol=6.420000e+06
assign (resid 84 and name HN) (resid 84 and name HB1) 2.711 0.919 0.919 weight 1.000 ! spec=HNH, no=1648, id=1539, vol=5.460000e+07
assign (resid 84 and name HN) (resid 84 and name HG2) 2.976 1.107 1.107 weight 1.000 ! spec=HNH, no=1649, id=1540, vol=3.120000e+07
assign (resid 84 and name HN) (resid 85 and name HA2) 3.943 1.943 1.943 weight 1.000 ! spec=HNH, no=1650, id=1541, vol=5.770000e+06
assign (resid 85 and name HN) (resid 83 and name HA) 4.478 2.507 2.507 weight 1.000 ! spec=HNH, no=1651, id=1542, vol=2.690000e+06
assign (resid 85 and name HN) (resid 83 and name HE3) 4.392 2.411 2.411 weight 1.000 ! spec=HNH, no=1652, id=1543, vol=3.020000e+06
assign (resid 85 and name HN) (resid 79 and name HD12) 4.275 2.284 2.284 weight 1.000 ! spec=HNH, no=1654, id=1545, vol=3.550000e+06
    or (resid 85 and name HN) (resid 79 and name HD11)
    or (resid 85 and name HN) (resid 79 and name HD13)
assign (resid 85 and name HN) (resid 79 and name HD22) 4.474 2.502 2.502 weight 1.000 ! spec=HNH, no=1655, id=1546, vol=2.700000e+06
    or (resid 85 and name HN) (resid 79 and name HD21)
    or (resid 85 and name HN) (resid 79 and name HD23)
assign (resid 85 and name HN) (resid 83 and name HB2) 4.286 2.297 2.297 weight 1.000 ! spec=HNH, no=1656, id=1547, vol=3.490000e+06
assign (resid 85 and name HN) (resid 84 and name HN) 3.406 1.450 1.450 weight 1.000 ! spec=HNH, no=1657, id=1548, vol=1.390000e+07
assign (resid 85 and name HN) (resid 84 and name HB1) 3.821 1.825 1.825 weight 1.000 ! spec=HNH, no=1659, id=1550, vol=6.960000e+06
assign (resid 87 and name HN) (resid 86 and name HA) 2.210 0.610 0.610 weight 1.000 ! spec=HNH, no=1673, id=1562, vol=1.860000e+08
assign (resid 87 and name HN) (resid 86 and name HB2) 2.524 0.797 0.797 weight 1.000 ! spec=HNH, no=1674, id=1563, vol=8.370000e+07
assign (resid 87 and name HN) (resid 86 and name HB1) 2.636 0.869 0.869 weight 1.000 ! spec=HNH, no=1675, id=1564, vol=6.450000e+07
assign (resid 87 and name HN) (resid 86 and name HG2) 3.094 1.197 1.197 weight 1.000 ! spec=HNH, no=1676, id=1565, vol=2.470000e+07
assign (resid 87 and name HN) (resid 87 and name HA) 2.506 0.785 0.785 weight 1.000 ! spec=HNH, no=1678, id=1566, vol=8.750000e+07
assign (resid 87 and name HN) (resid 87 and name HB2) 2.230 0.622 0.622 weight 1.000 ! spec=HNH, no=1679, id=1567, vol=1.760000e+08
assign (resid 87 and name HN) (resid 88 and name HN) 2.459 0.756 0.756 weight 1.000 ! spec=HNH, no=1680, id=1568, vol=9.800000e+07
assign (resid 87 and name HN) (resid 88 and name HA) 3.931 1.932 1.932 weight 1.000 ! spec=HNH, no=1681, id=1569, vol=5.870000e+06
assign (resid 88 and name HN) (resid 86 and name HB2) 2.589 0.838 0.838 weight 1.000 ! spec=HNH, no=1691, id=1579, vol=7.190000e+07
assign (resid 88 and name HN) (resid 87 and name HB2) 2.569 0.825 0.825 weight 1.000 ! spec=HNH, no=1693, id=1581, vol=7.540000e+07
assign (resid 88 and name HN) (resid 88 and name HA) 2.806 0.984 0.984 weight 1.000 ! spec=HNH, no=1695, id=1582, vol=4.440000e+07
assign (resid 88 and name HN) (resid 89 and name HN) 3.339 1.394 1.394 weight 1.000 ! spec=HNH, no=1697, id=1584, vol=1.560000e+07
assign (resid 88 and name HN) (resid 132 and name HA) 3.771 1.777 1.777 weight 1.000 ! spec=HNH, no=1698, id=1585, vol=7.540000e+06
assign (resid 89 and name HN) (resid 86 and name HG2) 3.869 1.871 1.871 weight 1.000 ! spec=HNH, no=1702, id=1589, vol=6.460000e+06
assign (resid 89 and name HN) (resid 86 and name HD2) 4.058 2.058 2.058 weight 1.000 ! spec=HNH, no=1704, id=1591, vol=4.850000e+06
assign (resid 89 and name HN) (resid 88 and name HA) 2.420 0.732 0.732 weight 1.000 ! spec=HNH, no=1706, id=1593, vol=1.080000e+08
assign (resid 89 and name HN) (resid 88 and name HB2) 2.760 0.952 0.952 weight 1.000 ! spec=HNH, no=1707, id=1594, vol=4.900000e+07
assign (resid 89 and name HN) (resid 89 and name HA) 3.175 1.260 1.260 weight 1.000 ! spec=HNH, no=1709, id=1595, vol=2.120000e+07
assign (resid 89 and name HN) (resid 89 and name HG12) 2.975 1.107 1.107 weight 1.000 ! spec=HNH, no=1711, id=1597, vol=3.120000e+07
assign (resid 89 and name HN) (resid 91 and name HD12) 4.158 2.161 2.161 weight 1.000 ! spec=HNH, no=1713, id=1599, vol=4.190000e+06
    or (resid 89 and name HN) (resid 91 and name HD11)
    or (resid 89 and name HN) (resid 91 and name HD13)
assign (resid 89 and name HN) (resid 130 and name HA) 3.462 1.498 1.498 weight 1.000 ! spec=HNH, no=1714, id=1600, vol=1.260000e+07
assign (resid 89 and name HN) (resid 130 and name HB2) 3.212 1.290 1.290 weight 1.000 ! spec=HNH, no=1715, id=1601, vol=1.970000e+07
assign (resid 89 and name HN) (resid 131 and name HA) 3.768 1.775 1.775 weight 1.000 ! spec=HNH, no=1718, id=1604, vol=7.560000e+06
assign (resid 89 and name HN) (resid 131 and name HB1) 3.254 1.324 1.324 weight 1.000 ! spec=HNH, no=1719, id=1605, vol=1.820000e+07
assign (resid 89 and name HN) (resid 132 and name HA) 3.363 1.414 1.414 weight 1.000 ! spec=HNH, no=1720, id=1606, vol=1.500000e+07
assign (resid 89 and name HN) (resid 133 and name HA) 4.079 2.080 2.080 weight 1.000 ! spec=HNH, no=1721, id=1607, vol=4.700000e+06
assign (resid 89 and name HN) (resid 133 and name HG11) 3.318 1.376 1.376 weight 1.000 ! spec=HNH, no=1722, id=1608, vol=1.620000e+07
assign (resid 89 and name HN) (resid 133 and name HD12) 2.927 1.071 1.071 weight 1.000 ! spec=HNH, no=1723, id=1609, vol=3.440000e+07
    or (resid 89 and name HN) (resid 133 and name HD11)
    or (resid 89 and name HN) (resid 133 and name HD13)
assign (resid 90 and name HN) (resid 90 and name HB2) 2.388 0.713 0.713 weight 1.000 ! spec=HNH, no=1726, id=1612, vol=1.170000e+08
assign (resid 90 and name HN) (resid 90 and name HB1) 2.295 0.658 0.658 weight 1.000 ! spec=HNH, no=1737, id=1623, vol=1.480000e+08
assign (resid 90 and name HN) (resid 89 and name HA) 2.191 0.600 0.600 weight 1.000 ! spec=HNH, no=1738, id=1624, vol=1.960000e+08
assign (resid 90 and name HN) (resid 89 and name HB) 2.849 1.015 1.015 weight 1.000 ! spec=HNH, no=1739, id=1625, vol=4.050000e+07
assign (resid 90 and name HN) (resid 90 and name HA) 2.830 1.001 1.001 weight 1.000 ! spec=HNH, no=1743, id=1628, vol=4.220000e+07
assign (resid 90 and name HN) (resid 130 and name HB2) 4.193 2.197 2.197 weight 1.000 ! spec=HNH, no=1744, id=1629, vol=3.990000e+06
assign (resid 90 and name HN) (resid 131 and name HN) 3.865 1.867 1.867 weight 1.000 ! spec=HNH, no=1747, id=1632, vol=6.500000e+06
assign (resid 90 and name HN) (resid 151 and name HA) 3.096 1.198 1.198 weight 1.000 ! spec=HNH, no=1748, id=1633, vol=2.460000e+07
assign (resid 91 and name HN) (resid 104 and name HZ3) 3.944 1.944 1.944 weight 1.000 ! spec=HNH, no=1750, id=1635, vol=5.760000e+06
assign (resid 91 and name HN) (resid 130 and name HB2) 3.450 1.488 1.488 weight 1.000 ! spec=HNH, no=1751, id=1636, vol=1.280000e+07
    or (resid 91 and name HN) (resid 130 and name HB1)
assign (resid 91 and name HN) (resid 90 and name HA) 2.355 0.693 0.693 weight 1.000 ! spec=HNH, no=1755, id=1640, vol=1.270000e+08
assign (resid 91 and name HN) (resid 91 and name HA) 3.059 1.170 1.170 weight 1.000 ! spec=HNH, no=1759, id=1643, vol=2.640000e+07
assign (resid 91 and name HN) (resid 91 and name HB2) 2.829 1.000 1.000 weight 1.000 ! spec=HNH, no=1760, id=1644, vol=4.230000e+07
assign (resid 91 and name HN) (resid 91 and name HB1) 2.672 0.892 0.892 weight 1.000 ! spec=HNH, no=1761, id=1645, vol=5.960000e+07
assign (resid 91 and name HN) (resid 130 and name HA) 2.843 1.011 1.011 weight 1.000 ! spec=HNH, no=1765, id=1649, vol=4.100000e+07
assign (resid 91 and name HN) (resid 130 and name HD1) 3.606 1.626 1.626 weight 1.000 ! spec=HNH, no=1766, id=1650, vol=9.850000e+06
assign (resid 92 and name HN) (resid 64 and name HB) 3.543 1.569 1.569 weight 1.000 ! spec=HNH, no=1778, id=1661, vol=1.090000e+07
assign (resid 92 and name HN) (resid 64 and name HG12) 3.158 1.247 1.247 weight 1.000 ! spec=HNH, no=1779, id=1662, vol=2.180000e+07
assign (resid 92 and name HN) (resid 131 and name HD22) 3.971 1.971 1.971 weight 1.000 ! spec=HNH, no=1782, id=1665, vol=5.530000e+06
    or (resid 92 and name HN) (resid 131 and name HD21)
    or (resid 92 and name HN) (resid 131 and name HD23)
assign (resid 92 and name HN) (resid 63 and name HB2) 3.472 1.506 1.506 weight 1.000 ! spec=HNH, no=1786, id=1668, vol=1.240000e+07
assign (resid 92 and name HN) (resid 63 and name HE2) 3.405 1.449 1.449 weight 1.000 ! spec=HNH, no=1788, id=1670, vol=1.390000e+07
    or (resid 92 and name HN) (resid 63 and name HE1)
    or (resid 92 and name HN) (resid 63 and name HE3)
assign (resid 92 and name HN) (resid 65 and name HA) 3.929 1.929 1.929 weight 1.000 ! spec=HNH, no=1789, id=1671, vol=5.890000e+06
assign (resid 92 and name HN) (resid 91 and name HN) 3.729 1.738 1.738 weight 1.000 ! spec=HNH, no=1790, id=1672, vol=8.050000e+06
assign (resid 92 and name HN) (resid 91 and name HA) 2.637 0.869 0.869 weight 1.000 ! spec=HNH, no=1791, id=1673, vol=6.440000e+07
assign (resid 92 and name HN) (resid 91 and name HB2) 2.526 0.797 0.797 weight 1.000 ! spec=HNH, no=1792, id=1674, vol=8.340000e+07
assign (resid 92 and name HN) (resid 91 and name HB1) 3.193 1.274 1.274 weight 1.000 ! spec=HNH, no=1793, id=1675, vol=2.040000e+07
assign (resid 92 and name HN) (resid 93 and name HA) 4.249 2.256 2.256 weight 1.000 ! spec=HNH, no=1799, id=1680, vol=3.680000e+06
assign (resid 92 and name HN) (resid 104 and name HE3) 3.660 1.675 1.675 weight 1.000 ! spec=HNH, no=1800, id=1681, vol=9.010000e+06
assign (resid 92 and name HN) (resid 104 and name HZ3) 3.244 1.316 1.316 weight 1.000 ! spec=HNH, no=1802, id=1683, vol=1.860000e+07
assign (resid 92 and name HN) (resid 105 and name HD1) 3.947 1.947 1.947 weight 1.000 ! spec=HNH, no=1803, id=1684, vol=5.730000e+06
assign (resid 93 and name HN) (resid 63 and name HB2) 3.579 1.601 1.601 weight 1.000 ! spec=HNH, no=1805, id=1685, vol=1.030000e+07
assign (resid 93 and name HN) (resid 102 and name HB1) 4.190 2.195 2.195 weight 1.000 ! spec=HNH, no=1807, id=1687, vol=4.000000e+06
assign (resid 93 and name HN) (resid 93 and name HG2) 2.693 0.906 0.906 weight 1.000 ! spec=HNH, no=1810, id=1690, vol=5.680000e+07
    or (resid 93 and name HN) (resid 93 and name HG1)
assign (resid 93 and name HN) (resid 90 and name HD22) 3.883 1.885 1.885 weight 1.000 ! spec=HNH, no=1812, id=1692, vol=6.320000e+06
    or (resid 93 and name HN) (resid 90 and name HD21)
    or (resid 93 and name HN) (resid 90 and name HD23)
assign (resid 93 and name HN) (resid 102 and name HD1) 4.091 2.092 2.092 weight 1.000 ! spec=HNH, no=1820, id=1700, vol=4.620000e+06
    or (resid 93 and name HN) (resid 102 and name HD2)
assign (resid 93 and name HN) (resid 63 and name HB1) 3.574 1.597 1.597 weight 1.000 ! spec=HNH, no=1824, id=1704, vol=1.040000e+07
assign (resid 93 and name HN) (resid 63 and name HE2) 3.410 1.454 1.454 weight 1.000 ! spec=HNH, no=1826, id=1706, vol=1.380000e+07
    or (resid 93 and name HN) (resid 63 and name HE1)
    or (resid 93 and name HN) (resid 63 and name HE3)
assign (resid 93 and name HN) (resid 91 and name HD22) 4.129 2.131 2.131 weight 1.000 ! spec=HNH, no=1827, id=1707, vol=4.370000e+06
    or (resid 93 and name HN) (resid 91 and name HD21)
    or (resid 93 and name HN) (resid 91 and name HD23)
assign (resid 93 and name HN) (resid 92 and name HA2) 3.046 1.160 1.160 weight 1.000 ! spec=HNH, no=1828, id=1708, vol=2.710000e+07
assign (resid 93 and name HN) (resid 92 and name HA1) 2.747 0.943 0.943 weight 1.000 ! spec=HNH, no=1829, id=1709, vol=5.040000e+07
assign (resid 93 and name HN) (resid 93 and name HA) 2.949 1.087 1.087 weight 1.000 ! spec=HNH, no=1831, id=1710, vol=3.290000e+07
assign (resid 93 and name HN) (resid 94 and name HN) 3.605 1.625 1.625 weight 1.000 ! spec=HNH, no=1833, id=1712, vol=9.870000e+06
assign (resid 93 and name HN) (resid 94 and name HB2) 3.998 1.998 1.998 weight 1.000 ! spec=HNH, no=1834, id=1713, vol=5.310000e+06
assign (resid 94 and name HN) (resid 93 and name HA) 2.324 0.675 0.675 weight 1.000 ! spec=HNH, no=1853, id=1731, vol=1.380000e+08
assign (resid 94 and name HN) (resid 93 and name HB2) 2.820 0.994 0.994 weight 1.000 ! spec=HNH, no=1854, id=1732, vol=4.310000e+07
assign (resid 94 and name HN) (resid 93 and name HB1) 3.035 1.152 1.152 weight 1.000 ! spec=HNH, no=1855, id=1733, vol=2.770000e+07
assign (resid 94 and name HN) (resid 93 and name HG2) 2.825 0.998 0.998 weight 1.000 ! spec=HNH, no=1856, id=1734, vol=4.260000e+07
assign (resid 94 and name HN) (resid 94 and name HA) 2.631 0.866 0.866 weight 1.000 ! spec=HNH, no=1858, id=1735, vol=6.530000e+07
assign (resid 94 and name HN) (resid 94 and name HB2) 3.192 1.273 1.273 weight 1.000 ! spec=HNH, no=1859, id=1736, vol=2.050000e+07
assign (resid 94 and name HN) (resid 94 and name HB1) 3.200 1.280 1.280 weight 1.000 ! spec=HNH, no=1860, id=1737, vol=2.020000e+07
assign (resid 94 and name HN) (resid 95 and name HN) 3.384 1.431 1.431 weight 1.000 ! spec=HNH, no=1862, id=1739, vol=1.440000e+07
assign (resid 94 and name HN) (resid 102 and name HA) 3.544 1.570 1.570 weight 1.000 ! spec=HNH, no=1864, id=1741, vol=1.090000e+07
assign (resid 94 and name HN) (resid 102 and name HD1) 3.369 1.419 1.419 weight 1.000 ! spec=HNH, no=1865, id=1742, vol=1.480000e+07
assign (resid 94 and name HN) (resid 103 and name HA) 4.095 2.096 2.096 weight 1.000 ! spec=HNH, no=1867, id=1744, vol=4.600000e+06
assign (resid 94 and name HN) (resid 103 and name HB2) 3.685 1.697 1.697 weight 1.000 ! spec=HNH, no=1868, id=1745, vol=8.650000e+06
assign (resid 94 and name HN) (resid 103 and name HG2) 3.580 1.602 1.602 weight 1.000 ! spec=HNH, no=1870, id=1747, vol=1.030000e+07
assign (resid 94 and name HN) (resid 105 and name HN) 3.325 1.382 1.382 weight 1.000 ! spec=HNH, no=1872, id=1749, vol=1.600000e+07
assign (resid 94 and name HN) (resid 105 and name HA) 3.750 1.758 1.758 weight 1.000 ! spec=HNH, no=1873, id=1750, vol=7.790000e+06
assign (resid 95 and name HN) (resid 142 and name HA) 3.052 1.164 1.164 weight 1.000 ! spec=HNH, no=1877, id=1753, vol=2.680000e+07
assign (resid 95 and name HN) (resid 94 and name HB1) 2.667 0.889 0.889 weight 1.000 ! spec=HNH, no=1881, id=1757, vol=6.020000e+07
assign (resid 95 and name HN) (resid 95 and name HA) 2.799 0.979 0.979 weight 1.000 ! spec=HNH, no=1884, id=1759, vol=4.510000e+07
assign (resid 95 and name HN) (resid 95 and name HB1) 2.485 0.772 0.772 weight 1.000 ! spec=HNH, no=1885, id=1760, vol=9.190000e+07
assign (resid 95 and name HN) (resid 102 and name HD1) 3.268 1.335 1.335 weight 1.000 ! spec=HNH, no=1888, id=1763, vol=1.780000e+07
assign (resid 96 and name HN) (resid 97 and name HN) 3.096 1.198 1.198 weight 1.000 ! spec=HNH, no=1889, id=1764, vol=2.460000e+07
assign (resid 96 and name HN) (resid 103 and name HD1) 3.890 1.891 1.891 weight 1.000 ! spec=HNH, no=1890, id=1765, vol=6.250000e+06
assign (resid 96 and name HN) (resid 95 and name HB2) 3.241 1.313 1.313 weight 1.000 ! spec=HNH, no=1893, id=1768, vol=1.870000e+07
assign (resid 96 and name HN) (resid 99 and name HN) 3.895 1.897 1.897 weight 1.000 ! spec=HNH, no=1897, id=1772, vol=6.200000e+06
assign (resid 96 and name HN) (resid 94 and name HA) 3.925 1.926 1.926 weight 1.000 ! spec=HNH, no=1901, id=1776, vol=5.920000e+06
assign (resid 96 and name HN) (resid 95 and name HN) 3.650 1.665 1.665 weight 1.000 ! spec=HNH, no=1903, id=1778, vol=9.160000e+06
assign (resid 96 and name HN) (resid 95 and name HA) 2.311 0.668 0.668 weight 1.000 ! spec=HNH, no=1904, id=1779, vol=1.420000e+08
assign (resid 96 and name HN) (resid 96 and name HA) 2.870 1.029 1.029 weight 1.000 ! spec=HNH, no=1908, id=1782, vol=3.880000e+07
assign (resid 96 and name HN) (resid 96 and name HB2) 2.650 0.878 0.878 weight 1.000 ! spec=HNH, no=1909, id=1783, vol=6.260000e+07
assign (resid 96 and name HN) (resid 96 and name HB1) 2.546 0.810 0.810 weight 1.000 ! spec=HNH, no=1910, id=1784, vol=7.950000e+07
assign (resid 96 and name HN) (resid 101 and name HN) 2.837 1.006 1.006 weight 1.000 ! spec=HNH, no=1913, id=1787, vol=4.160000e+07
assign (resid 96 and name HN) (resid 101 and name HB1) 3.753 1.761 1.761 weight 1.000 ! spec=HNH, no=1914, id=1788, vol=7.750000e+06
assign (resid 96 and name HN) (resid 102 and name HA) 2.934 1.076 1.076 weight 1.000 ! spec=HNH, no=1915, id=1789, vol=3.390000e+07
assign (resid 96 and name HN) (resid 103 and name HG2) 3.259 1.328 1.328 weight 1.000 ! spec=HNH, no=1918, id=1792, vol=1.810000e+07
assign (resid 97 and name HN) (resid 100 and name HN) 3.427 1.468 1.468 weight 1.000 ! spec=HNH, no=1919, id=1793, vol=1.340000e+07
assign (resid 97 and name HN) (resid 96 and name HA) 2.057 0.529 0.529 weight 1.000 ! spec=HNH, no=1926, id=1799, vol=2.860000e+08
assign (resid 97 and name HN) (resid 96 and name HB1) 3.207 1.286 1.286 weight 1.000 ! spec=HNH, no=1928, id=1801, vol=1.990000e+07
assign (resid 97 and name HN) (resid 97 and name HA) 2.582 0.834 0.834 weight 1.000 ! spec=HNH, no=1930, id=1802, vol=7.300000e+07
assign (resid 97 and name HN) (resid 99 and name HN) 3.337 1.392 1.392 weight 1.000 ! spec=HNH, no=1933, id=1805, vol=1.570000e+07
assign (resid 98 and name HN) (resid 96 and name HB2) 3.411 1.454 1.454 weight 1.000 ! spec=HNH, no=1934, id=1806, vol=1.380000e+07
assign (resid 98 and name HN) (resid 101 and name HN) 3.817 1.821 1.821 weight 1.000 ! spec=HNH, no=1935, id=1807, vol=7.010000e+06
assign (resid 98 and name HN) (resid 96 and name HA) 2.774 0.962 0.962 weight 1.000 ! spec=HNH, no=1937, id=1809, vol=4.760000e+07
assign (resid 98 and name HN) (resid 96 and name HB1) 3.164 1.252 1.252 weight 1.000 ! spec=HNH, no=1938, id=1810, vol=2.160000e+07
assign (resid 98 and name HN) (resid 97 and name HA) 2.806 0.984 0.984 weight 1.000 ! spec=HNH, no=1939, id=1811, vol=4.440000e+07
assign (resid 98 and name HN) (resid 98 and name HB1) 2.239 0.627 0.627 weight 1.000 ! spec=HNH, no=1942, id=1813, vol=1.720000e+08
assign (resid 98 and name HN) (resid 99 and name HN) 2.314 0.669 0.669 weight 1.000 ! spec=HNH, no=1943, id=1814, vol=1.410000e+08
assign (resid 98 and name HN) (resid 100 and name HN) 2.979 1.109 1.109 weight 1.000 ! spec=HNH, no=1946, id=1817, vol=3.100000e+07
assign (resid 99 and name HN) (resid 96 and name HB2) 3.496 1.528 1.528 weight 1.000 ! spec=HNH, no=1952, id=1823, vol=1.190000e+07
assign (resid 99 and name HN) (resid 96 and name HB1) 3.104 1.204 1.204 weight 1.000 ! spec=HNH, no=1953, id=1824, vol=2.420000e+07
assign (resid 99 and name HN) (resid 97 and name HA) 3.431 1.472 1.472 weight 1.000 ! spec=HNH, no=1954, id=1825, vol=1.330000e+07
assign (resid 99 and name HN) (resid 98 and name HA) 2.923 1.068 1.068 weight 1.000 ! spec=HNH, no=1956, id=1827, vol=3.480000e+07
assign (resid 99 and name HN) (resid 98 and name HB2) 2.764 0.955 0.955 weight 1.000 ! spec=HNH, no=1957, id=1828, vol=4.860000e+07
assign (resid 99 and name HN) (resid 99 and name HA) 2.719 0.924 0.924 weight 1.000 ! spec=HNH, no=1960, id=1830, vol=5.370000e+07
assign (resid 99 and name HN) (resid 99 and name HB2) 2.378 0.707 0.707 weight 1.000 ! spec=HNH, no=1961, id=1831, vol=1.200000e+08
assign (resid 99 and name HN) (resid 100 and name HA) 2.996 1.122 1.122 weight 1.000 ! spec=HNH, no=1963, id=1833, vol=3.000000e+07
assign (resid 100 and name HN) (resid 95 and name HD1) 4.071 2.072 2.072 weight 1.000 ! spec=HNH, no=1966, id=1836, vol=4.760000e+06
assign (resid 100 and name HN) (resid 96 and name HB2) 3.863 1.866 1.866 weight 1.000 ! spec=HNH, no=1968, id=1838, vol=6.510000e+06
assign (resid 100 and name HN) (resid 97 and name HA) 2.770 0.959 0.959 weight 1.000 ! spec=HNH, no=1969, id=1839, vol=4.800000e+07
assign (resid 100 and name HN) (resid 98 and name HB2) 3.481 1.515 1.515 weight 1.000 ! spec=HNH, no=1971, id=1841, vol=1.220000e+07
assign (resid 99 and name HN) (resid 100 and name HN) 2.249 0.632 0.632 weight 1.000 ! spec=HNH, no=1972, id=1842, vol=1.670000e+08
assign (resid 100 and name HN) (resid 99 and name HA) 2.976 1.107 1.107 weight 1.000 ! spec=HNH, no=1973, id=1843, vol=3.120000e+07
assign (resid 100 and name HN) (resid 99 and name HB2) 2.926 1.070 1.070 weight 1.000 ! spec=HNH, no=1974, id=1844, vol=3.450000e+07
assign (resid 100 and name HN) (resid 100 and name HA) 2.174 0.591 0.591 weight 1.000 ! spec=HNH, no=1976, id=1845, vol=2.050000e+08
assign (resid 101 and name HN) (resid 99 and name HB1) 3.966 1.966 1.966 weight 1.000 ! spec=HNH, no=1981, id=1850, vol=5.570000e+06
assign (resid 101 and name HN) (resid 95 and name HA) 3.470 1.505 1.505 weight 1.000 ! spec=HNH, no=1985, id=1854, vol=1.240000e+07
assign (resid 101 and name HN) (resid 95 and name HD1) 3.652 1.667 1.667 weight 1.000 ! spec=HNH, no=1990, id=1859, vol=9.140000e+06
assign (resid 101 and name HN) (resid 96 and name HB1) 2.830 1.001 1.001 weight 1.000 ! spec=HNH, no=1994, id=1863, vol=4.220000e+07
assign (resid 101 and name HN) (resid 97 and name HA) 3.155 1.244 1.244 weight 1.000 ! spec=HNH, no=1995, id=1864, vol=2.200000e+07
assign (resid 99 and name HN) (resid 101 and name HN) 2.979 1.109 1.109 weight 1.000 ! spec=HNH, no=1996, id=1865, vol=3.100000e+07
assign (resid 101 and name HN) (resid 99 and name HB2) 3.097 1.199 1.199 weight 1.000 ! spec=HNH, no=1997, id=1866, vol=2.460000e+07
assign (resid 100 and name HN) (resid 101 and name HN) 2.474 0.765 0.765 weight 1.000 ! spec=HNH, no=1998, id=1867, vol=9.440000e+07
assign (resid 101 and name HN) (resid 100 and name HA) 2.247 0.631 0.631 weight 1.000 ! spec=HNH, no=1999, id=1868, vol=1.680000e+08
assign (resid 101 and name HN) (resid 102 and name HN) 3.267 1.334 1.334 weight 1.000 ! spec=HNH, no=2003, id=1871, vol=1.780000e+07
assign (resid 101 and name HN) (resid 103 and name HD1) 3.972 1.972 1.972 weight 1.000 ! spec=HNH, no=2005, id=1873, vol=5.510000e+06
assign (resid 101 and name HN) (resid 103 and name HE2) 3.367 1.417 1.417 weight 1.000 ! spec=HNH, no=2006, id=1874, vol=1.490000e+07
assign (resid 101 and name HN) (resid 103 and name HG2) 3.407 1.451 1.451 weight 1.000 ! spec=HNH, no=2007, id=1875, vol=1.390000e+07
assign (resid 102 and name HN) (resid 101 and name HB2) 2.540 0.806 0.806 weight 1.000 ! spec=HNH, no=2012, id=1880, vol=8.070000e+07
assign (resid 102 and name HN) (resid 102 and name HB2) 2.443 0.746 0.746 weight 1.000 ! spec=HNH, no=2016, id=1883, vol=1.020000e+08
assign (resid 102 and name HN) (resid 102 and name HB1) 2.649 0.877 0.877 weight 1.000 ! spec=HNH, no=2017, id=1884, vol=6.260000e+07
assign (resid 102 and name HN) (resid 103 and name HG2) 3.222 1.297 1.297 weight 1.000 ! spec=HNH, no=2019, id=1886, vol=1.940000e+07
assign (resid 103 and name HN) (resid 93 and name HA) 3.531 1.559 1.559 weight 1.000 ! spec=HNH, no=2024, id=1891, vol=1.120000e+07
assign (resid 103 and name HN) (resid 93 and name HB2) 2.870 1.029 1.029 weight 1.000 ! spec=HNH, no=2025, id=1892, vol=3.880000e+07
assign (resid 94 and name HN) (resid 103 and name HN) 2.761 0.953 0.953 weight 1.000 ! spec=HNH, no=2026, id=1893, vol=4.890000e+07
assign (resid 103 and name HN) (resid 95 and name HA) 3.036 1.152 1.152 weight 1.000 ! spec=HNH, no=2027, id=1894, vol=2.760000e+07
assign (resid 96 and name HN) (resid 103 and name HN) 3.527 1.555 1.555 weight 1.000 ! spec=HNH, no=2028, id=1895, vol=1.130000e+07
assign (resid 103 and name HN) (resid 102 and name HB2) 3.074 1.181 1.181 weight 1.000 ! spec=HNH, no=2030, id=1897, vol=2.570000e+07
assign (resid 103 and name HN) (resid 102 and name HB1) 2.894 1.047 1.047 weight 1.000 ! spec=HNH, no=2031, id=1898, vol=3.690000e+07
assign (resid 103 and name HN) (resid 102 and name HD1) 3.030 1.148 1.148 weight 1.000 ! spec=HNH, no=2032, id=1899, vol=2.800000e+07
assign (resid 103 and name HN) (resid 103 and name HA) 2.933 1.075 1.075 weight 1.000 ! spec=HNH, no=2034, id=1900, vol=3.410000e+07
assign (resid 103 and name HN) (resid 103 and name HB2) 2.859 1.022 1.022 weight 1.000 ! spec=HNH, no=2035, id=1901, vol=3.970000e+07
assign (resid 103 and name HN) (resid 103 and name HG2) 2.791 0.974 0.974 weight 1.000 ! spec=HNH, no=2036, id=1902, vol=4.580000e+07
assign (resid 103 and name HN) (resid 104 and name HA) 3.477 1.511 1.511 weight 1.000 ! spec=HNH, no=2037, id=1903, vol=1.230000e+07
assign (resid 103 and name HN) (resid 110 and name HE2) 3.894 1.895 1.895 weight 1.000 ! spec=HNH, no=2038, id=1904, vol=6.210000e+06
    or (resid 103 and name HN) (resid 110 and name HE1)
    or (resid 103 and name HN) (resid 110 and name HE3)
assign (resid 104 and name HN) (resid 94 and name HD1) 4.053 2.054 2.054 weight 1.000 ! spec=HNH, no=2039, id=1905, vol=4.880000e+06
    or (resid 104 and name HN) (resid 94 and name HD2)
assign (resid 104 and name HN) (resid 103 and name HA) 2.240 0.627 0.627 weight 1.000 ! spec=HNH, no=2042, id=1908, vol=1.710000e+08
assign (resid 104 and name HN) (resid 103 and name HB2) 2.992 1.119 1.119 weight 1.000 ! spec=HNH, no=2043, id=1909, vol=3.020000e+07
assign (resid 104 and name HN) (resid 103 and name HB1) 2.630 0.865 0.865 weight 1.000 ! spec=HNH, no=2044, id=1910, vol=6.540000e+07
assign (resid 104 and name HN) (resid 104 and name HA) 2.966 1.100 1.100 weight 1.000 ! spec=HNH, no=2048, id=1913, vol=3.180000e+07
assign (resid 104 and name HN) (resid 104 and name HB2) 2.536 0.804 0.804 weight 1.000 ! spec=HNH, no=2049, id=1914, vol=8.150000e+07
assign (resid 104 and name HN) (resid 104 and name HB1) 2.624 0.861 0.861 weight 1.000 ! spec=HNH, no=2050, id=1915, vol=6.640000e+07
assign (resid 104 and name HN) (resid 104 and name HE3) 3.807 1.812 1.812 weight 1.000 ! spec=HNH, no=2052, id=1917, vol=7.110000e+06
assign (resid 104 and name HN) (resid 107 and name HN) 3.678 1.691 1.691 weight 1.000 ! spec=HNH, no=2054, id=1919, vol=8.750000e+06
assign (resid 104 and name HN) (resid 107 and name HA) 3.459 1.496 1.496 weight 1.000 ! spec=HNH, no=2055, id=1920, vol=1.260000e+07
assign (resid 104 and name HE1) (resid 110 and name HB1) 3.568 1.591 1.591 weight 1.000 ! spec=HNH, no=2060, id=1924, vol=1.050000e+07
assign (resid 104 and name HE1) (resid 66 and name HN) 3.811 1.815 1.815 weight 1.000 ! spec=HNH, no=2061, id=1925, vol=7.070000e+06
assign (resid 104 and name HE1) (resid 110 and name HG2) 3.259 1.328 1.328 weight 1.000 ! spec=HNH, no=2063, id=1927, vol=1.810000e+07
assign (resid 104 and name HE1) (resid 66 and name HG22) 4.235 2.241 2.241 weight 1.000 ! spec=HNH, no=2065, id=1929, vol=3.760000e+06
    or (resid 104 and name HE1) (resid 66 and name HG21)
    or (resid 104 and name HE1) (resid 66 and name HG23)
assign (resid 104 and name HE1) (resid 103 and name HA) 4.302 2.313 2.313 weight 1.000 ! spec=HNH, no=2067, id=1931, vol=3.420000e+06
assign (resid 104 and name HE1) (resid 104 and name HB2) 3.867 1.869 1.869 weight 1.000 ! spec=HNH, no=2068, id=1932, vol=6.480000e+06
assign (resid 104 and name HE1) (resid 104 and name HB1) 4.127 2.129 2.129 weight 1.000 ! spec=HNH, no=2069, id=1933, vol=4.380000e+06
assign (resid 104 and name HE1) (resid 104 and name HH2) 4.196 2.201 2.201 weight 1.000 ! spec=HNH, no=2072, id=1935, vol=3.970000e+06
assign (resid 104 and name HE1) (resid 110 and name HA) 2.579 0.831 0.831 weight 1.000 ! spec=HNH, no=2075, id=1938, vol=7.360000e+07
assign (resid 104 and name HE1) (resid 110 and name HB2) 3.357 1.409 1.409 weight 1.000 ! spec=HNH, no=2076, id=1939, vol=1.510000e+07
assign (resid 104 and name HE1) (resid 110 and name HG1) 3.474 1.509 1.509 weight 1.000 ! spec=HNH, no=2079, id=1942, vol=1.230000e+07
assign (resid 104 and name HE1) (resid 138 and name HH2) 3.651 1.666 1.666 weight 1.000 ! spec=HNH, no=2082, id=1945, vol=9.150000e+06
assign (resid 104 and name HE1) (resid 138 and name HZ3) 4.521 2.555 2.555 weight 1.000 ! spec=HNH, no=2083, id=1946, vol=2.540000e+06
assign (resid 105 and name HN) (resid 93 and name HB2) 3.570 1.593 1.593 weight 1.000 ! spec=HNH, no=2085, id=1948, vol=1.050000e+07
assign (resid 105 and name HN) (resid 106 and name HA) 3.841 1.844 1.844 weight 1.000 ! spec=HNH, no=2087, id=1950, vol=6.750000e+06
assign (resid 105 and name HN) (resid 93 and name HN) 3.615 1.633 1.633 weight 1.000 ! spec=HNH, no=2088, id=1951, vol=9.710000e+06
assign (resid 105 and name HN) (resid 94 and name HD1) 3.533 1.561 1.561 weight 1.000 ! spec=HNH, no=2090, id=1953, vol=1.110000e+07
assign (resid 104 and name HN) (resid 105 and name HN) 3.544 1.570 1.570 weight 1.000 ! spec=HNH, no=2091, id=1954, vol=1.090000e+07
assign (resid 105 and name HN) (resid 104 and name HA) 2.377 0.706 0.706 weight 1.000 ! spec=HNH, no=2092, id=1955, vol=1.200000e+08
assign (resid 105 and name HN) (resid 104 and name HB2) 3.274 1.340 1.340 weight 1.000 ! spec=HNH, no=2093, id=1956, vol=1.760000e+07
assign (resid 105 and name HN) (resid 104 and name HE3) 3.259 1.328 1.328 weight 1.000 ! spec=HNH, no=2094, id=1957, vol=1.810000e+07
assign (resid 105 and name HN) (resid 105 and name HA) 2.894 1.047 1.047 weight 1.000 ! spec=HNH, no=2096, id=1958, vol=3.680000e+07
assign (resid 105 and name HN) (resid 105 and name HB2) 2.795 0.976 0.976 weight 1.000 ! spec=HNH, no=2097, id=1959, vol=4.540000e+07
assign (resid 105 and name HN) (resid 105 and name HB1) 2.941 1.081 1.081 weight 1.000 ! spec=HNH, no=2098, id=1960, vol=3.350000e+07
assign (resid 105 and name HN) (resid 105 and name HD1) 3.056 1.168 1.168 weight 1.000 ! spec=HNH, no=2099, id=1961, vol=2.660000e+07
assign (resid 105 and name HN) (resid 105 and name HE1) 3.567 1.591 1.591 weight 1.000 ! spec=HNH, no=2100, id=1962, vol=1.050000e+07
assign (resid 106 and name HN) (resid 104 and name HD1) 4.127 2.129 2.129 weight 1.000 ! spec=HNH, no=2102, id=1964, vol=4.390000e+06
assign (resid 106 and name HN) (resid 105 and name HD1) 3.750 1.757 1.757 weight 1.000 ! spec=HNH, no=2103, id=1965, vol=7.790000e+06
    or (resid 106 and name HN) (resid 105 and name HD2)
assign (resid 106 and name HN) (resid 104 and name HA) 3.315 1.373 1.373 weight 1.000 ! spec=HNH, no=2108, id=1970, vol=1.630000e+07
assign (resid 106 and name HN) (resid 104 and name HB2) 2.652 0.879 0.879 weight 1.000 ! spec=HNH, no=2109, id=1971, vol=6.220000e+07
assign (resid 106 and name HN) (resid 104 and name HB1) 2.917 1.063 1.063 weight 1.000 ! spec=HNH, no=2110, id=1972, vol=3.520000e+07
assign (resid 105 and name HN) (resid 106 and name HN) 2.955 1.091 1.091 weight 1.000 ! spec=HNH, no=2111, id=1973, vol=3.260000e+07
assign (resid 106 and name HN) (resid 105 and name HA) 3.167 1.254 1.254 weight 1.000 ! spec=HNH, no=2112, id=1974, vol=2.140000e+07
assign (resid 106 and name HN) (resid 105 and name HB2) 2.942 1.082 1.082 weight 1.000 ! spec=HNH, no=2113, id=1975, vol=3.340000e+07
assign (resid 106 and name HN) (resid 106 and name HA) 2.742 0.940 0.940 weight 1.000 ! spec=HNH, no=2115, id=1976, vol=5.100000e+07
assign (resid 106 and name HN) (resid 106 and name HB2) 2.712 0.919 0.919 weight 1.000 ! spec=HNH, no=2116, id=1977, vol=5.450000e+07
assign (resid 106 and name HN) (resid 107 and name HN) 2.843 1.011 1.011 weight 1.000 ! spec=HNH, no=2117, id=1978, vol=4.100000e+07
assign (resid 106 and name HN) (resid 107 and name HA) 3.546 1.572 1.572 weight 1.000 ! spec=HNH, no=2118, id=1979, vol=1.090000e+07
assign (resid 107 and name HN) (resid 105 and name HA) 3.170 1.256 1.256 weight 1.000 ! spec=HNH, no=2122, id=1983, vol=2.140000e+07
assign (resid 107 and name HN) (resid 104 and name HD1) 3.960 1.961 1.961 weight 1.000 ! spec=HNH, no=2124, id=1985, vol=5.610000e+06
assign (resid 107 and name HN) (resid 94 and name HE1) 3.845 1.848 1.848 weight 1.000 ! spec=HNH, no=2125, id=1986, vol=6.700000e+06
    or (resid 107 and name HN) (resid 94 and name HE2)
assign (resid 107 and name HN) (resid 104 and name HA) 3.786 1.791 1.791 weight 1.000 ! spec=HNH, no=2126, id=1987, vol=7.360000e+06
assign (resid 107 and name HN) (resid 104 and name HB1) 3.320 1.378 1.378 weight 1.000 ! spec=HNH, no=2127, id=1988, vol=1.620000e+07
assign (resid 107 and name HN) (resid 105 and name HN) 4.036 2.036 2.036 weight 1.000 ! spec=HNH, no=2128, id=1989, vol=5.010000e+06
assign (resid 107 and name HN) (resid 105 and name HB1) 3.932 1.933 1.933 weight 1.000 ! spec=HNH, no=2129, id=1990, vol=5.860000e+06
assign (resid 107 and name HN) (resid 106 and name HB2) 3.624 1.642 1.642 weight 1.000 ! spec=HNH, no=2131, id=1992, vol=9.560000e+06
assign (resid 107 and name HN) (resid 107 and name HA) 2.184 0.596 0.596 weight 1.000 ! spec=HNH, no=2133, id=1993, vol=2.000000e+08
assign (resid 107 and name HN) (resid 107 and name HB2) 2.800 0.980 0.980 weight 1.000 ! spec=HNH, no=2134, id=1994, vol=4.500000e+07
assign (resid 107 and name HD22) (resid 105 and name HA) 3.724 1.733 1.733 weight 1.000 ! spec=HNH, no=2142, id=2001, vol=8.130000e+06
assign (resid 107 and name HD21) (resid 107 and name HN) 3.725 1.734 1.734 weight 1.000 ! spec=HNH, no=2143, id=2002, vol=8.110000e+06
assign (resid 107 and name HD22) (resid 107 and name HN) 3.780 1.786 1.786 weight 1.000 ! spec=HNH, no=2144, id=2003, vol=7.430000e+06
assign (resid 107 and name HD21) (resid 107 and name HA) 3.512 1.541 1.541 weight 1.000 ! spec=HNH, no=2145, id=2004, vol=1.160000e+07
assign (resid 107 and name HD22) (resid 107 and name HA) 3.400 1.445 1.445 weight 1.000 ! spec=HNH, no=2146, id=2005, vol=1.400000e+07
assign (resid 107 and name HD21) (resid 107 and name HB2) 2.815 0.990 0.990 weight 1.000 ! spec=HNH, no=2147, id=2006, vol=4.350000e+07
assign (resid 107 and name HD22) (resid 107 and name HB2) 3.002 1.127 1.127 weight 1.000 ! spec=HNH, no=2148, id=2007, vol=2.960000e+07
assign (resid 107 and name HD21) (resid 107 and name HB1) 3.074 1.181 1.181 weight 1.000 ! spec=HNH, no=2149, id=2008, vol=2.570000e+07
assign (resid 107 and name HD22) (resid 107 and name HD21) 1.505 0.283 0.283 weight 1.000 ! spec=HNH, no=2153, id=2011, vol=1.870000e+09
assign (resid 108 and name HN) (resid 104 and name HA) 3.935 1.936 1.936 weight 1.000 ! spec=HNH, no=2155, id=2012, vol=5.840000e+06
assign (resid 108 and name HN) (resid 104 and name HD1) 3.753 1.760 1.760 weight 1.000 ! spec=HNH, no=2156, id=2013, vol=7.760000e+06
assign (resid 108 and name HN) (resid 104 and name HB1) 3.232 1.305 1.305 weight 1.000 ! spec=HNH, no=2157, id=2014, vol=1.900000e+07
assign (resid 108 and name HN) (resid 106 and name HB2) 4.054 2.055 2.055 weight 1.000 ! spec=HNH, no=2159, id=2016, vol=4.880000e+06
assign (resid 107 and name HN) (resid 108 and name HN) 2.704 0.914 0.914 weight 1.000 ! spec=HNH, no=2160, id=2017, vol=5.540000e+07
assign (resid 108 and name HN) (resid 107 and name HA) 2.810 0.987 0.987 weight 1.000 ! spec=HNH, no=2161, id=2018, vol=4.400000e+07
assign (resid 108 and name HN) (resid 107 and name HB2) 3.134 1.228 1.228 weight 1.000 ! spec=HNH, no=2162, id=2019, vol=2.290000e+07
assign (resid 108 and name HN) (resid 108 and name HA) 2.803 0.982 0.982 weight 1.000 ! spec=HNH, no=2165, id=2021, vol=4.470000e+07
assign (resid 108 and name HN) (resid 108 and name HB2) 2.948 1.087 1.087 weight 1.000 ! spec=HNH, no=2166, id=2022, vol=3.300000e+07
assign (resid 109 and name HN) (resid 108 and name HB2) 3.032 1.149 1.149 weight 1.000 ! spec=HNH, no=2170, id=2026, vol=2.790000e+07
assign (resid 109 and name HN) (resid 108 and name HB1) 2.812 0.988 0.988 weight 1.000 ! spec=HNH, no=2171, id=2027, vol=4.380000e+07
assign (resid 109 and name HN) (resid 109 and name HB2) 2.402 0.721 0.721 weight 1.000 ! spec=HNH, no=2174, id=2029, vol=1.130000e+08
assign (resid 109 and name HN) (resid 110 and name HN) 3.684 1.696 1.696 weight 1.000 ! spec=HNH, no=2175, id=2030, vol=8.670000e+06
assign (resid 109 and name HD21) (resid 111 and name HA) 2.798 0.979 0.979 weight 1.000 ! spec=HNH, no=2177, id=2032, vol=4.510000e+07
assign (resid 109 and name HD21) (resid 111 and name HG21) 3.559 1.583 1.583 weight 1.000 ! spec=HNH, no=2178, id=2033, vol=1.070000e+07
    or (resid 109 and name HD21) (resid 111 and name HG22)
    or (resid 109 and name HD21) (resid 111 and name HG23)
assign (resid 109 and name HD21) (resid 109 and name HN) 4.043 2.043 2.043 weight 1.000 ! spec=HNH, no=2180, id=2035, vol=4.960000e+06
assign (resid 109 and name HD22) (resid 109 and name HA) 3.590 1.611 1.611 weight 1.000 ! spec=HNH, no=2181, id=2036, vol=1.010000e+07
assign (resid 109 and name HD21) (resid 109 and name HD22) 2.081 0.541 0.541 weight 1.000 ! spec=HNH, no=2182, id=2037, vol=2.670000e+08
assign (resid 109 and name HD21) (resid 109 and name HB2) 2.853 1.017 1.017 weight 1.000 ! spec=HNH, no=2183, id=2038, vol=4.020000e+07
assign (resid 109 and name HD22) (resid 109 and name HB2) 2.562 0.820 0.820 weight 1.000 ! spec=HNH, no=2184, id=2039, vol=7.670000e+07
assign (resid 109 and name HD21) (resid 110 and name HN) 4.316 2.328 2.328 weight 1.000 ! spec=HNH, no=2185, id=2040, vol=3.350000e+06
assign (resid 109 and name HD22) (resid 111 and name HA) 2.708 0.917 0.917 weight 1.000 ! spec=HNH, no=2186, id=2041, vol=5.490000e+07
assign (resid 109 and name HD22) (resid 111 and name HG21) 3.642 1.658 1.658 weight 1.000 ! spec=HNH, no=2187, id=2042, vol=9.280000e+06
    or (resid 109 and name HD22) (resid 111 and name HG22)
    or (resid 109 and name HD22) (resid 111 and name HG23)
assign (resid 110 and name HN) (resid 103 and name HG2) 3.794 1.799 1.799 weight 1.000 ! spec=HNH, no=2189, id=2043, vol=7.270000e+06
    or (resid 110 and name HN) (resid 103 and name HG1)
assign (resid 104 and name HE1) (resid 110 and name HN) 4.172 2.176 2.176 weight 1.000 ! spec=HNH, no=2192, id=2046, vol=4.110000e+06
assign (resid 110 and name HN) (resid 109 and name HA) 2.562 0.821 0.821 weight 1.000 ! spec=HNH, no=2194, id=2048, vol=7.660000e+07
assign (resid 110 and name HN) (resid 110 and name HA) 3.288 1.352 1.352 weight 1.000 ! spec=HNH, no=2197, id=2050, vol=1.710000e+07
assign (resid 110 and name HN) (resid 110 and name HB2) 2.885 1.041 1.041 weight 1.000 ! spec=HNH, no=2198, id=2051, vol=3.760000e+07
assign (resid 110 and name HN) (resid 110 and name HB1) 2.827 0.999 0.999 weight 1.000 ! spec=HNH, no=2199, id=2052, vol=4.240000e+07
assign (resid 110 and name HN) (resid 110 and name HG2) 3.472 1.507 1.507 weight 1.000 ! spec=HNH, no=2200, id=2053, vol=1.240000e+07
assign (resid 110 and name HN) (resid 110 and name HG1) 3.450 1.488 1.488 weight 1.000 ! spec=HNH, no=2201, id=2054, vol=1.280000e+07
assign (resid 112 and name HN) (resid 110 and name HA) 3.483 1.516 1.516 weight 1.000 ! spec=HNH, no=2207, id=2060, vol=1.210000e+07
assign (resid 112 and name HN) (resid 104 and name HE1) 4.129 2.131 2.131 weight 1.000 ! spec=HNH, no=2212, id=2065, vol=4.370000e+06
assign (resid 112 and name HN) (resid 111 and name HB) 3.249 1.319 1.319 weight 1.000 ! spec=HNH, no=2213, id=2066, vol=1.840000e+07
assign (resid 112 and name HN) (resid 111 and name HG21) 3.515 1.545 1.545 weight 1.000 ! spec=HNH, no=2214, id=2067, vol=1.150000e+07
    or (resid 112 and name HN) (resid 111 and name HG22)
    or (resid 112 and name HN) (resid 111 and name HG23)
assign (resid 112 and name HN) (resid 112 and name HA) 2.606 0.849 0.849 weight 1.000 ! spec=HNH, no=2216, id=2068, vol=6.920000e+07
assign (resid 112 and name HN) (resid 112 and name HB2) 2.870 1.029 1.029 weight 1.000 ! spec=HNH, no=2217, id=2069, vol=3.880000e+07
assign (resid 112 and name HN) (resid 112 and name HB1) 2.978 1.109 1.109 weight 1.000 ! spec=HNH, no=2218, id=2070, vol=3.110000e+07
assign (resid 112 and name HN) (resid 112 and name HD1) 3.376 1.424 1.424 weight 1.000 ! spec=HNH, no=2219, id=2071, vol=1.460000e+07
assign (resid 112 and name HN) (resid 113 and name HN) 3.577 1.599 1.599 weight 1.000 ! spec=HNH, no=2220, id=2072, vol=1.030000e+07
assign (resid 113 and name HN) (resid 68 and name HA) 4.171 2.175 2.175 weight 1.000 ! spec=HNH, no=2221, id=2073, vol=4.110000e+06
assign (resid 113 and name HN) (resid 112 and name HA) 2.166 0.587 0.587 weight 1.000 ! spec=HNH, no=2223, id=2075, vol=2.100000e+08
assign (resid 113 and name HN) (resid 112 and name HB2) 3.081 1.187 1.187 weight 1.000 ! spec=HNH, no=2224, id=2076, vol=2.530000e+07
assign (resid 113 and name HN) (resid 112 and name HD1) 2.740 0.939 0.939 weight 1.000 ! spec=HNH, no=2226, id=2078, vol=5.110000e+07
assign (resid 113 and name HN) (resid 113 and name HB2) 3.215 1.292 1.292 weight 1.000 ! spec=HNH, no=2228, id=2079, vol=1.960000e+07
assign (resid 113 and name HN) (resid 113 and name HB1) 3.126 1.221 1.221 weight 1.000 ! spec=HNH, no=2229, id=2080, vol=2.320000e+07
assign (resid 113 and name HN) (resid 114 and name HN) 3.113 1.211 1.211 weight 1.000 ! spec=HNH, no=2230, id=2081, vol=2.380000e+07
assign (resid 113 and name HN) (resid 114 and name HA) 3.869 1.871 1.871 weight 1.000 ! spec=HNH, no=2231, id=2082, vol=6.460000e+06
assign (resid 113 and name HN) (resid 114 and name HG2) 3.980 1.980 1.980 weight 1.000 ! spec=HNH, no=2232, id=2083, vol=5.450000e+06
assign (resid 113 and name HN) (resid 114 and name HG1) 3.965 1.965 1.965 weight 1.000 ! spec=HNH, no=2233, id=2084, vol=5.580000e+06
assign (resid 113 and name HN) (resid 138 and name HH2) 3.705 1.716 1.716 weight 1.000 ! spec=HNH, no=2234, id=2085, vol=8.370000e+06
assign (resid 114 and name HN) (resid 112 and name HA) 4.445 2.470 2.470 weight 1.000 ! spec=HNH, no=2238, id=2089, vol=2.810000e+06
assign (resid 114 and name HN) (resid 104 and name HZ2) 3.971 1.971 1.971 weight 1.000 ! spec=HNH, no=2239, id=2090, vol=5.520000e+06
assign (resid 114 and name HN) (resid 112 and name HD1) 3.592 1.613 1.613 weight 1.000 ! spec=HNH, no=2241, id=2092, vol=1.010000e+07
assign (resid 114 and name HN) (resid 113 and name HA) 2.423 0.734 0.734 weight 1.000 ! spec=HNH, no=2243, id=2094, vol=1.070000e+08
assign (resid 114 and name HN) (resid 113 and name HB2) 2.606 0.849 0.849 weight 1.000 ! spec=HNH, no=2244, id=2095, vol=6.920000e+07
assign (resid 114 and name HN) (resid 114 and name HA) 2.777 0.964 0.964 weight 1.000 ! spec=HNH, no=2246, id=2096, vol=4.720000e+07
assign (resid 114 and name HN) (resid 114 and name HB2) 2.872 1.031 1.031 weight 1.000 ! spec=HNH, no=2247, id=2097, vol=3.860000e+07
assign (resid 114 and name HN) (resid 114 and name HD1) 3.754 1.762 1.762 weight 1.000 ! spec=HNH, no=2249, id=2099, vol=7.730000e+06
assign (resid 114 and name HN) (resid 115 and name HA) 3.707 1.718 1.718 weight 1.000 ! spec=HNH, no=2251, id=2101, vol=8.350000e+06
assign (resid 114 and name HN) (resid 115 and name HD1) 3.449 1.487 1.487 weight 1.000 ! spec=HNH, no=2252, id=2102, vol=1.290000e+07
assign (resid 114 and name HN) (resid 115 and name HE1) 4.077 2.077 2.077 weight 1.000 ! spec=HNH, no=2253, id=2103, vol=4.720000e+06
assign (resid 114 and name HN) (resid 115 and name HE3) 4.102 2.103 2.103 weight 1.000 ! spec=HNH, no=2254, id=2104, vol=4.550000e+06
assign (resid 114 and name HN) (resid 137 and name HA) 4.091 2.092 2.092 weight 1.000 ! spec=HNH, no=2255, id=2105, vol=4.620000e+06
assign (resid 114 and name HN) (resid 138 and name HN) 3.787 1.793 1.793 weight 1.000 ! spec=HNH, no=2256, id=2106, vol=7.340000e+06
assign (resid 114 and name HN) (resid 138 and name HH2) 3.522 1.551 1.551 weight 1.000 ! spec=HNH, no=2259, id=2109, vol=1.130000e+07
assign (resid 115 and name HN) (resid 113 and name HB2) 2.657 0.883 0.883 weight 1.000 ! spec=HNH, no=2262, id=2112, vol=6.150000e+07
assign (resid 114 and name HN) (resid 115 and name HN) 2.461 0.757 0.757 weight 1.000 ! spec=HNH, no=2263, id=2113, vol=9.750000e+07
assign (resid 115 and name HN) (resid 114 and name HA) 2.379 0.707 0.707 weight 1.000 ! spec=HNH, no=2264, id=2114, vol=1.200000e+08
assign (resid 115 and name HN) (resid 114 and name HB2) 3.503 1.534 1.534 weight 1.000 ! spec=HNH, no=2265, id=2115, vol=1.170000e+07
assign (resid 115 and name HN) (resid 115 and name HA) 2.749 0.944 0.944 weight 1.000 ! spec=HNH, no=2267, id=2116, vol=5.020000e+07
assign (resid 115 and name HN) (resid 115 and name HB2) 2.386 0.711 0.711 weight 1.000 ! spec=HNH, no=2268, id=2117, vol=1.180000e+08
assign (resid 115 and name HN) (resid 115 and name HE1) 3.681 1.694 1.694 weight 1.000 ! spec=HNH, no=2271, id=2120, vol=8.710000e+06
assign (resid 115 and name HN) (resid 138 and name HE3) 3.554 1.579 1.579 weight 1.000 ! spec=HNH, no=2273, id=2122, vol=1.070000e+07
assign (resid 115 and name HE1) (resid 93 and name HE2) 4.174 2.178 2.178 weight 1.000 ! spec=HNH, no=2280, id=2129, vol=4.090000e+06
    or (resid 115 and name HE1) (resid 93 and name HE1)
    or (resid 115 and name HE1) (resid 93 and name HE3)
assign (resid 115 and name HE1) (resid 113 and name HB2) 3.018 1.139 1.139 weight 1.000 ! spec=HNH, no=2281, id=2130, vol=2.860000e+07
assign (resid 115 and name HE1) (resid 113 and name HB1) 3.069 1.177 1.177 weight 1.000 ! spec=HNH, no=2282, id=2131, vol=2.590000e+07
assign (resid 115 and name HE1) (resid 115 and name HB2) 3.488 1.521 1.521 weight 1.000 ! spec=HNH, no=2285, id=2134, vol=1.200000e+07
assign (resid 115 and name HE1) (resid 115 and name HE3) 4.188 2.192 2.192 weight 1.000 ! spec=HNH, no=2288, id=2136, vol=4.020000e+06
assign (resid 115 and name HE1) (resid 138 and name HE3) 3.777 1.783 1.783 weight 1.000 ! spec=HNH, no=2291, id=2139, vol=7.470000e+06
assign (resid 115 and name HE1) (resid 140 and name HE2) 4.336 2.350 2.350 weight 1.000 ! spec=HNH, no=2292, id=2140, vol=3.260000e+06
assign (resid 116 and name HN) (resid 115 and name HD1) 4.019 2.019 2.019 weight 1.000 ! spec=HNH, no=2293, id=2141, vol=5.140000e+06
assign (resid 116 and name HN) (resid 138 and name HB2) 3.098 1.199 1.199 weight 1.000 ! spec=HNH, no=2295, id=2143, vol=2.450000e+07
assign (resid 116 and name HN) (resid 140 and name HG2) 4.250 2.258 2.258 weight 1.000 ! spec=HNH, no=2299, id=2147, vol=3.680000e+06
assign (resid 116 and name HN) (resid 139 and name HG1) 3.880 1.881 1.881 weight 1.000 ! spec=HNH, no=2300, id=2148, vol=6.350000e+06
assign (resid 116 and name HN) (resid 115 and name HZ3) 3.968 1.968 1.968 weight 1.000 ! spec=HNH, no=2301, id=2149, vol=5.550000e+06
assign (resid 116 and name HN) (resid 115 and name HA) 2.295 0.658 0.658 weight 1.000 ! spec=HNH, no=2302, id=2150, vol=1.480000e+08
assign (resid 116 and name HN) (resid 115 and name HB2) 3.094 1.197 1.197 weight 1.000 ! spec=HNH, no=2303, id=2151, vol=2.470000e+07
assign (resid 116 and name HN) (resid 115 and name HB1) 2.857 1.020 1.020 weight 1.000 ! spec=HNH, no=2304, id=2152, vol=3.990000e+07
assign (resid 116 and name HN) (resid 115 and name HE3) 2.990 1.118 1.118 weight 1.000 ! spec=HNH, no=2305, id=2153, vol=3.030000e+07
assign (resid 116 and name HN) (resid 116 and name HB) 2.649 0.877 0.877 weight 1.000 ! spec=HNH, no=2308, id=2155, vol=6.260000e+07
assign (resid 116 and name HN) (resid 137 and name HB1) 3.618 1.636 1.636 weight 1.000 ! spec=HNH, no=2310, id=2157, vol=9.660000e+06
assign (resid 116 and name HN) (resid 138 and name HN) 2.878 1.035 1.035 weight 1.000 ! spec=HNH, no=2311, id=2158, vol=3.810000e+07
assign (resid 116 and name HN) (resid 138 and name HA) 4.185 2.189 2.189 weight 1.000 ! spec=HNH, no=2312, id=2159, vol=4.030000e+06
assign (resid 116 and name HN) (resid 139 and name HN) 4.106 2.107 2.107 weight 1.000 ! spec=HNH, no=2313, id=2160, vol=4.520000e+06
assign (resid 116 and name HN) (resid 139 and name HA) 3.287 1.350 1.350 weight 1.000 ! spec=HNH, no=2314, id=2161, vol=1.720000e+07
assign (resid 117 and name HN) (resid 116 and name HA) 2.139 0.572 0.572 weight 1.000 ! spec=HNH, no=2322, id=2169, vol=2.260000e+08
assign (resid 117 and name HN) (resid 117 and name HB2) 2.219 0.615 0.615 weight 1.000 ! spec=HNH, no=2326, id=2172, vol=1.820000e+08
assign (resid 118 and name HN) (resid 118 and name HA) 2.464 0.759 0.759 weight 1.000 ! spec=HNH, no=2334, id=2178, vol=9.670000e+07
assign (resid 118 and name HN) (resid 118 and name HB2) 2.502 0.782 0.782 weight 1.000 ! spec=HNH, no=2335, id=2179, vol=8.840000e+07
assign (resid 118 and name HN) (resid 118 and name HG2) 2.554 0.815 0.815 weight 1.000 ! spec=HNH, no=2337, id=2181, vol=7.810000e+07
assign (resid 118 and name HE21) (resid 120 and name HB2) 3.641 1.657 1.657 weight 1.000 ! spec=HNH, no=2340, id=2184, vol=9.290000e+06
    or (resid 118 and name HE21) (resid 120 and name HB1)
assign (resid 118 and name HE22) (resid 140 and name HB2) 3.237 1.310 1.310 weight 1.000 ! spec=HNH, no=2343, id=2186, vol=1.880000e+07
assign (resid 118 and name HE21) (resid 118 and name HA) 3.886 1.887 1.887 weight 1.000 ! spec=HNH, no=2350, id=2193, vol=6.290000e+06
assign (resid 118 and name HE21) (resid 118 and name HB2) 3.234 1.307 1.307 weight 1.000 ! spec=HNH, no=2351, id=2194, vol=1.890000e+07
assign (resid 118 and name HE22) (resid 118 and name HB2) 3.610 1.629 1.629 weight 1.000 ! spec=HNH, no=2352, id=2195, vol=9.780000e+06
assign (resid 118 and name HE21) (resid 118 and name HB1) 3.119 1.216 1.216 weight 1.000 ! spec=HNH, no=2353, id=2196, vol=2.360000e+07
assign (resid 118 and name HE22) (resid 118 and name HB1) 3.553 1.578 1.578 weight 1.000 ! spec=HNH, no=2354, id=2197, vol=1.080000e+07
assign (resid 118 and name HE22) (resid 118 and name HE21) 1.611 0.324 0.324 weight 1.000 ! spec=HNH, no=2357, id=2199, vol=1.240000e+09
assign (resid 118 and name HE21) (resid 118 and name HG2) 2.452 0.752 0.752 weight 1.000 ! spec=HNH, no=2359, id=2200, vol=9.960000e+07
assign (resid 118 and name HE22) (resid 118 and name HG2) 2.777 0.964 0.964 weight 1.000 ! spec=HNH, no=2360, id=2201, vol=4.730000e+07
assign (resid 118 and name HE22) (resid 120 and name HB2) 3.659 1.673 1.673 weight 1.000 ! spec=HNH, no=2363, id=2204, vol=9.030000e+06
assign (resid 118 and name HE22) (resid 139 and name HN) 4.129 2.131 2.131 weight 1.000 ! spec=HNH, no=2364, id=2205, vol=4.370000e+06
assign (resid 118 and name HE21) (resid 139 and name HA) 4.024 2.024 2.024 weight 1.000 ! spec=HNH, no=2365, id=2206, vol=5.100000e+06
assign (resid 118 and name HE22) (resid 139 and name HA) 3.655 1.670 1.670 weight 1.000 ! spec=HNH, no=2366, id=2207, vol=9.080000e+06
assign (resid 118 and name HE21) (resid 140 and name HN) 3.234 1.308 1.308 weight 1.000 ! spec=HNH, no=2367, id=2208, vol=1.890000e+07
assign (resid 118 and name HE22) (resid 140 and name HN) 2.934 1.076 1.076 weight 1.000 ! spec=HNH, no=2368, id=2209, vol=3.390000e+07
assign (resid 118 and name HE21) (resid 140 and name HA) 4.289 2.299 2.299 weight 1.000 ! spec=HNH, no=2369, id=2210, vol=3.480000e+06
assign (resid 118 and name HE21) (resid 140 and name HB1) 3.530 1.558 1.558 weight 1.000 ! spec=HNH, no=2371, id=2212, vol=1.120000e+07
assign (resid 118 and name HE22) (resid 140 and name HB1) 3.327 1.384 1.384 weight 1.000 ! spec=HNH, no=2372, id=2213, vol=1.600000e+07
assign (resid 118 and name HE21) (resid 140 and name HD2) 3.479 1.513 1.513 weight 1.000 ! spec=HNH, no=2373, id=2214, vol=1.220000e+07
assign (resid 118 and name HE22) (resid 140 and name HD2) 3.409 1.452 1.452 weight 1.000 ! spec=HNH, no=2374, id=2215, vol=1.380000e+07
assign (resid 119 and name HN) (resid 118 and name HG2) 2.731 0.932 0.932 weight 1.000 ! spec=HNH, no=2377, id=2218, vol=5.220000e+07
    or (resid 119 and name HN) (resid 118 and name HG1)
assign (resid 119 and name HN) (resid 118 and name HB1) 2.709 0.917 0.917 weight 1.000 ! spec=HNH, no=2378, id=2219, vol=5.490000e+07
assign (resid 119 and name HN) (resid 118 and name HA) 2.188 0.598 0.598 weight 1.000 ! spec=HNH, no=2383, id=2224, vol=1.980000e+08
assign (resid 120 and name HN) (resid 119 and name HA) 2.126 0.565 0.565 weight 1.000 ! spec=HNH, no=2393, id=2233, vol=2.350000e+08
assign (resid 121 and name HN) (resid 121 and name HB2) 2.185 0.597 0.597 weight 1.000 ! spec=HNH, no=2398, id=2236, vol=1.990000e+08
assign (resid 121 and name HN) (resid 124 and name HD12) 3.217 1.293 1.293 weight 1.000 ! spec=HNH, no=2399, id=2237, vol=1.960000e+07
    or (resid 121 and name HN) (resid 124 and name HD11)
    or (resid 121 and name HN) (resid 124 and name HD13)
assign (resid 122 and name HN) (resid 121 and name HB2) 2.797 0.978 0.978 weight 1.000 ! spec=HNH, no=2403, id=2241, vol=4.520000e+07
assign (resid 122 and name HN) (resid 122 and name HA) 2.483 0.771 0.771 weight 1.000 ! spec=HNH, no=2405, id=2242, vol=9.250000e+07
assign (resid 122 and name HN) (resid 122 and name HB2) 2.350 0.690 0.690 weight 1.000 ! spec=HNH, no=2406, id=2243, vol=1.290000e+08
assign (resid 122 and name HN) (resid 122 and name HG2) 2.638 0.870 0.870 weight 1.000 ! spec=HNH, no=2408, id=2245, vol=6.430000e+07
assign (resid 123 and name HN) (resid 122 and name HB1) 2.590 0.839 0.839 weight 1.000 ! spec=HNH, no=2410, id=2247, vol=7.170000e+07
assign (resid 123 and name HN) (resid 122 and name HG2) 2.847 1.013 1.013 weight 1.000 ! spec=HNH, no=2411, id=2248, vol=4.070000e+07
assign (resid 123 and name HN) (resid 123 and name HA) 2.303 0.663 0.663 weight 1.000 ! spec=HNH, no=2413, id=2249, vol=1.450000e+08
assign (resid 124 and name HN) (resid 95 and name HB2) 4.347 2.362 2.362 weight 1.000 ! spec=HNH, no=2417, id=2253, vol=3.210000e+06
assign (resid 124 and name HN) (resid 125 and name HB) 3.688 1.700 1.700 weight 1.000 ! spec=HNH, no=2418, id=2254, vol=8.610000e+06
assign (resid 124 and name HN) (resid 141 and name HA2) 3.690 1.702 1.702 weight 1.000 ! spec=HNH, no=2421, id=2257, vol=8.580000e+06
assign (resid 124 and name HN) (resid 95 and name HD1) 4.255 2.263 2.263 weight 1.000 ! spec=HNH, no=2427, id=2263, vol=3.650000e+06
assign (resid 124 and name HN) (resid 95 and name HE1) 4.337 2.351 2.351 weight 1.000 ! spec=HNH, no=2428, id=2264, vol=3.260000e+06
assign (resid 124 and name HN) (resid 102 and name HZ) 4.276 2.286 2.286 weight 1.000 ! spec=HNH, no=2429, id=2265, vol=3.540000e+06
assign (resid 124 and name HN) (resid 123 and name HA) 2.103 0.553 0.553 weight 1.000 ! spec=HNH, no=2431, id=2267, vol=2.510000e+08
assign (resid 124 and name HN) (resid 123 and name HB2) 2.915 1.062 1.062 weight 1.000 ! spec=HNH, no=2432, id=2268, vol=3.530000e+07
assign (resid 124 and name HN) (resid 124 and name HA) 2.450 0.751 0.751 weight 1.000 ! spec=HNH, no=2434, id=2269, vol=1.000000e+08
assign (resid 124 and name HN) (resid 125 and name HG22) 2.921 1.067 1.067 weight 1.000 ! spec=HNH, no=2439, id=2274, vol=3.490000e+07
    or (resid 124 and name HN) (resid 125 and name HG21)
    or (resid 124 and name HN) (resid 125 and name HG23)
assign (resid 125 and name HN) (resid 123 and name HB2) 3.714 1.724 1.724 weight 1.000 ! spec=HNH, no=2442, id=2277, vol=8.260000e+06
    or (resid 125 and name HN) (resid 123 and name HB1)
assign (resid 125 and name HN) (resid 142 and name HD22) 3.875 1.877 1.877 weight 1.000 ! spec=HNH, no=2443, id=2278, vol=6.390000e+06
assign (resid 125 and name HN) (resid 123 and name HA) 3.099 1.200 1.200 weight 1.000 ! spec=HNH, no=2449, id=2284, vol=2.450000e+07
assign (resid 125 and name HN) (resid 124 and name HA) 2.258 0.637 0.637 weight 1.000 ! spec=HNH, no=2450, id=2285, vol=1.630000e+08
assign (resid 125 and name HN) (resid 124 and name HD22) 2.879 1.036 1.036 weight 1.000 ! spec=HNH, no=2452, id=2287, vol=3.810000e+07
    or (resid 125 and name HN) (resid 124 and name HD21)
    or (resid 125 and name HN) (resid 124 and name HD23)
assign (resid 125 and name HN) (resid 125 and name HB) 2.305 0.664 0.664 weight 1.000 ! spec=HNH, no=2455, id=2289, vol=1.450000e+08
assign (resid 125 and name HN) (resid 126 and name HN) 2.457 0.754 0.754 weight 1.000 ! spec=HNH, no=2457, id=2291, vol=9.850000e+07
assign (resid 125 and name HN) (resid 126 and name HB2) 3.692 1.704 1.704 weight 1.000 ! spec=HNH, no=2458, id=2292, vol=8.560000e+06
assign (resid 125 and name HN) (resid 126 and name HB1) 3.329 1.385 1.385 weight 1.000 ! spec=HNH, no=2459, id=2293, vol=1.590000e+07
assign (resid 126 and name HN) (resid 124 and name HA) 2.850 1.015 1.015 weight 1.000 ! spec=HNH, no=2463, id=2297, vol=4.040000e+07
assign (resid 126 and name HN) (resid 124 and name HD22) 3.306 1.367 1.367 weight 1.000 ! spec=HNH, no=2464, id=2298, vol=1.660000e+07
    or (resid 126 and name HN) (resid 124 and name HD21)
    or (resid 126 and name HN) (resid 124 and name HD23)
assign (resid 126 and name HN) (resid 125 and name HB) 2.642 0.873 0.873 weight 1.000 ! spec=HNH, no=2467, id=2301, vol=6.370000e+07
assign (resid 126 and name HN) (resid 126 and name HB2) 2.520 0.794 0.794 weight 1.000 ! spec=HNH, no=2472, id=2305, vol=8.450000e+07
assign (resid 126 and name HN) (resid 126 and name HB1) 2.688 0.903 0.903 weight 1.000 ! spec=HNH, no=2473, id=2306, vol=5.740000e+07
assign (resid 126 and name HN) (resid 127 and name HG21) 2.985 1.114 1.114 weight 1.000 ! spec=HNH, no=2475, id=2308, vol=3.060000e+07
    or (resid 126 and name HN) (resid 127 and name HG22)
    or (resid 126 and name HN) (resid 127 and name HG23)
assign (resid 127 and name HN) (resid 124 and name HD22) 3.690 1.702 1.702 weight 1.000 ! spec=HNH, no=2488, id=2321, vol=8.590000e+06
    or (resid 127 and name HN) (resid 124 and name HD21)
    or (resid 127 and name HN) (resid 124 and name HD23)
assign (resid 127 and name HN) (resid 125 and name HN) 3.003 1.127 1.127 weight 1.000 ! spec=HNH, no=2489, id=2322, vol=2.950000e+07
assign (resid 127 and name HN) (resid 125 and name HA) 3.278 1.343 1.343 weight 1.000 ! spec=HNH, no=2490, id=2323, vol=1.750000e+07
assign (resid 127 and name HN) (resid 125 and name HB) 3.953 1.953 1.953 weight 1.000 ! spec=HNH, no=2491, id=2324, vol=5.680000e+06
assign (resid 126 and name HN) (resid 127 and name HN) 2.634 0.867 0.867 weight 1.000 ! spec=HNH, no=2492, id=2325, vol=6.490000e+07
assign (resid 127 and name HN) (resid 126 and name HB2) 3.052 1.164 1.164 weight 1.000 ! spec=HNH, no=2494, id=2327, vol=2.680000e+07
assign (resid 127 and name HN) (resid 127 and name HA) 2.643 0.873 0.873 weight 1.000 ! spec=HNH, no=2497, id=2329, vol=6.350000e+07
assign (resid 127 and name HN) (resid 127 and name HB) 2.484 0.771 0.771 weight 1.000 ! spec=HNH, no=2498, id=2330, vol=9.220000e+07
assign (resid 127 and name HN) (resid 127 and name HG21) 2.636 0.868 0.868 weight 1.000 ! spec=HNH, no=2499, id=2331, vol=6.460000e+07
    or (resid 127 and name HN) (resid 127 and name HG22)
    or (resid 127 and name HN) (resid 127 and name HG23)
assign (resid 127 and name HN) (resid 142 and name HN) 4.252 2.260 2.260 weight 1.000 ! spec=HNH, no=2505, id=2337, vol=3.660000e+06
assign (resid 128 and name HN) (resid 130 and name HE1) 3.646 1.662 1.662 weight 1.000 ! spec=HNH, no=2510, id=2342, vol=9.220000e+06
    or (resid 128 and name HN) (resid 130 and name HE2)
assign (resid 127 and name HN) (resid 128 and name HN) 3.110 1.209 1.209 weight 1.000 ! spec=HNH, no=2513, id=2345, vol=2.390000e+07
assign (resid 128 and name HN) (resid 128 and name HA) 2.724 0.928 0.928 weight 1.000 ! spec=HNH, no=2518, id=2349, vol=5.300000e+07
assign (resid 128 and name HN) (resid 130 and name HD1) 4.129 2.132 2.132 weight 1.000 ! spec=HNH, no=2520, id=2351, vol=4.370000e+06
assign (resid 128 and name HN) (resid 141 and name HA2) 3.827 1.831 1.831 weight 1.000 ! spec=HNH, no=2527, id=2358, vol=6.890000e+06
assign (resid 128 and name HN) (resid 142 and name HN) 3.961 1.961 1.961 weight 1.000 ! spec=HNH, no=2528, id=2359, vol=5.610000e+06
assign (resid 129 and name HN) (resid 90 and name HD12) 3.260 1.328 1.328 weight 1.000 ! spec=HNH, no=2532, id=2363, vol=1.810000e+07
    or (resid 129 and name HN) (resid 90 and name HD11)
    or (resid 129 and name HN) (resid 90 and name HD13)
assign (resid 129 and name HN) (resid 91 and name HN) 3.814 1.818 1.818 weight 1.000 ! spec=HNH, no=2534, id=2365, vol=7.040000e+06
assign (resid 129 and name HN) (resid 91 and name HD22) 3.978 1.978 1.978 weight 1.000 ! spec=HNH, no=2535, id=2366, vol=5.460000e+06
    or (resid 129 and name HN) (resid 91 and name HD21)
    or (resid 129 and name HN) (resid 91 and name HD23)
assign (resid 129 and name HN) (resid 128 and name HA) 2.385 0.711 0.711 weight 1.000 ! spec=HNH, no=2539, id=2370, vol=1.180000e+08
assign (resid 129 and name HN) (resid 128 and name HB2) 2.445 0.747 0.747 weight 1.000 ! spec=HNH, no=2540, id=2371, vol=1.010000e+08
assign (resid 129 and name HN) (resid 129 and name HA) 2.926 1.071 1.071 weight 1.000 ! spec=HNH, no=2542, id=2372, vol=3.450000e+07
assign (resid 130 and name HN) (resid 139 and name HG2) 3.338 1.393 1.393 weight 1.000 ! spec=HNH, no=2550, id=2380, vol=1.570000e+07
assign (resid 130 and name HN) (resid 88 and name HB2) 3.517 1.546 1.546 weight 1.000 ! spec=HNH, no=2557, id=2385, vol=1.140000e+07
assign (resid 130 and name HN) (resid 90 and name HA) 3.900 1.901 1.901 weight 1.000 ! spec=HNH, no=2558, id=2386, vol=6.160000e+06
assign (resid 130 and name HN) (resid 90 and name HD22) 3.957 1.957 1.957 weight 1.000 ! spec=HNH, no=2560, id=2388, vol=5.650000e+06
    or (resid 130 and name HN) (resid 90 and name HD21)
    or (resid 130 and name HN) (resid 90 and name HD23)
assign (resid 130 and name HN) (resid 91 and name HA) 4.396 2.415 2.415 weight 1.000 ! spec=HNH, no=2561, id=2389, vol=3.000000e+06
assign (resid 130 and name HN) (resid 91 and name HD22) 3.457 1.494 1.494 weight 1.000 ! spec=HNH, no=2562, id=2390, vol=1.270000e+07
    or (resid 130 and name HN) (resid 91 and name HD21)
    or (resid 130 and name HN) (resid 91 and name HD23)
assign (resid 130 and name HN) (resid 115 and name HH2) 3.978 1.978 1.978 weight 1.000 ! spec=HNH, no=2563, id=2391, vol=5.470000e+06
assign (resid 130 and name HN) (resid 115 and name HZ3) 3.939 1.940 1.940 weight 1.000 ! spec=HNH, no=2564, id=2392, vol=5.800000e+06
assign (resid 130 and name HN) (resid 129 and name HA) 2.283 0.651 0.651 weight 1.000 ! spec=HNH, no=2565, id=2393, vol=1.530000e+08
assign (resid 130 and name HN) (resid 130 and name HA) 2.929 1.072 1.072 weight 1.000 ! spec=HNH, no=2568, id=2395, vol=3.430000e+07
assign (resid 130 and name HN) (resid 130 and name HE1) 3.780 1.786 1.786 weight 1.000 ! spec=HNH, no=2570, id=2397, vol=7.430000e+06
assign (resid 130 and name HN) (resid 139 and name HB2) 3.472 1.506 1.506 weight 1.000 ! spec=HNH, no=2574, id=2401, vol=1.240000e+07
assign (resid 89 and name HN) (resid 131 and name HN) 2.972 1.104 1.104 weight 1.000 ! spec=HNH, no=2580, id=2407, vol=3.140000e+07
assign (resid 131 and name HN) (resid 88 and name HA) 3.634 1.651 1.651 weight 1.000 ! spec=HNH, no=2594, id=2419, vol=9.410000e+06
assign (resid 131 and name HN) (resid 88 and name HB2) 3.564 1.588 1.588 weight 1.000 ! spec=HNH, no=2595, id=2420, vol=1.060000e+07
assign (resid 131 and name HN) (resid 89 and name HA) 3.960 1.960 1.960 weight 1.000 ! spec=HNH, no=2596, id=2421, vol=5.620000e+06
assign (resid 131 and name HN) (resid 90 and name HA) 3.393 1.439 1.439 weight 1.000 ! spec=HNH, no=2598, id=2423, vol=1.420000e+07
assign (resid 91 and name HN) (resid 131 and name HN) 3.310 1.369 1.369 weight 1.000 ! spec=HNH, no=2599, id=2424, vol=1.650000e+07
assign (resid 131 and name HN) (resid 91 and name HB1) 3.254 1.324 1.324 weight 1.000 ! spec=HNH, no=2600, id=2425, vol=1.820000e+07
assign (resid 131 and name HN) (resid 91 and name HD22) 3.328 1.384 1.384 weight 1.000 ! spec=HNH, no=2602, id=2427, vol=1.600000e+07
    or (resid 131 and name HN) (resid 91 and name HD21)
    or (resid 131 and name HN) (resid 91 and name HD23)
assign (resid 131 and name HN) (resid 130 and name HA) 2.423 0.734 0.734 weight 1.000 ! spec=HNH, no=2603, id=2428, vol=1.070000e+08
assign (resid 131 and name HN) (resid 130 and name HB2) 2.803 0.982 0.982 weight 1.000 ! spec=HNH, no=2604, id=2429, vol=4.470000e+07
assign (resid 131 and name HN) (resid 131 and name HA) 3.174 1.259 1.259 weight 1.000 ! spec=HNH, no=2607, id=2431, vol=2.120000e+07
assign (resid 131 and name HN) (resid 131 and name HB2) 2.761 0.953 0.953 weight 1.000 ! spec=HNH, no=2608, id=2432, vol=4.890000e+07
assign (resid 131 and name HN) (resid 131 and name HB1) 2.669 0.890 0.890 weight 1.000 ! spec=HNH, no=2609, id=2433, vol=6.000000e+07
assign (resid 131 and name HN) (resid 132 and name HA) 4.105 2.107 2.107 weight 1.000 ! spec=HNH, no=2611, id=2435, vol=4.530000e+06
assign (resid 131 and name HN) (resid 133 and name HN) 4.249 2.257 2.257 weight 1.000 ! spec=HNH, no=2612, id=2436, vol=3.680000e+06
assign (resid 131 and name HN) (resid 138 and name HA) 4.094 2.095 2.095 weight 1.000 ! spec=HNH, no=2613, id=2437, vol=4.600000e+06
assign (resid 131 and name HN) (resid 138 and name HD1) 3.413 1.456 1.456 weight 1.000 ! spec=HNH, no=2614, id=2438, vol=1.370000e+07
assign (resid 131 and name HN) (resid 138 and name HE1) 4.175 2.179 2.179 weight 1.000 ! spec=HNH, no=2615, id=2439, vol=4.090000e+06
assign (resid 132 and name HN) (resid 136 and name HA1) 4.178 2.182 2.182 weight 1.000 ! spec=HNH, no=2619, id=2443, vol=4.070000e+06
assign (resid 132 and name HN) (resid 131 and name HB1) 3.494 1.526 1.526 weight 1.000 ! spec=HNH, no=2628, id=2452, vol=1.190000e+07
assign (resid 132 and name HN) (resid 137 and name HB2) 3.921 1.922 1.922 weight 1.000 ! spec=HNH, no=2629, id=2453, vol=5.960000e+06
assign (resid 132 and name HN) (resid 88 and name HA) 4.136 2.138 2.138 weight 1.000 ! spec=HNH, no=2630, id=2454, vol=4.330000e+06
assign (resid 132 and name HN) (resid 88 and name HB2) 3.888 1.890 1.890 weight 1.000 ! spec=HNH, no=2631, id=2455, vol=6.270000e+06
assign (resid 132 and name HN) (resid 91 and name HD12) 4.053 2.053 2.053 weight 1.000 ! spec=HNH, no=2632, id=2456, vol=4.890000e+06
    or (resid 132 and name HN) (resid 91 and name HD11)
    or (resid 132 and name HN) (resid 91 and name HD13)
assign (resid 132 and name HN) (resid 91 and name HD22) 4.052 2.052 2.052 weight 1.000 ! spec=HNH, no=2633, id=2457, vol=4.900000e+06
    or (resid 132 and name HN) (resid 91 and name HD21)
    or (resid 132 and name HN) (resid 91 and name HD23)
assign (resid 132 and name HN) (resid 131 and name HA) 2.412 0.727 0.727 weight 1.000 ! spec=HNH, no=2634, id=2458, vol=1.100000e+08
assign (resid 132 and name HN) (resid 131 and name HG) 3.041 1.156 1.156 weight 1.000 ! spec=HNH, no=2635, id=2459, vol=2.740000e+07
assign (resid 132 and name HN) (resid 131 and name HD22) 3.321 1.379 1.379 weight 1.000 ! spec=HNH, no=2637, id=2461, vol=1.610000e+07
    or (resid 132 and name HN) (resid 131 and name HD21)
    or (resid 132 and name HN) (resid 131 and name HD23)
assign (resid 132 and name HN) (resid 132 and name HA) 3.088 1.192 1.192 weight 1.000 ! spec=HNH, no=2639, id=2462, vol=2.500000e+07
assign (resid 132 and name HN) (resid 132 and name HB2) 2.688 0.903 0.903 weight 1.000 ! spec=HNH, no=2640, id=2463, vol=5.740000e+07
assign (resid 132 and name HN) (resid 132 and name HB1) 2.681 0.899 0.899 weight 1.000 ! spec=HNH, no=2641, id=2464, vol=5.830000e+07
assign (resid 132 and name HN) (resid 133 and name HN) 3.610 1.629 1.629 weight 1.000 ! spec=HNH, no=2642, id=2465, vol=9.790000e+06
assign (resid 133 and name HN) (resid 137 and name HB2) 4.493 2.524 2.524 weight 1.000 ! spec=HNH, no=2652, id=2475, vol=2.630000e+06
assign (resid 133 and name HN) (resid 133 and name HD12) 2.954 1.091 1.091 weight 1.000 ! spec=HNH, no=2653, id=2476, vol=3.260000e+07
    or (resid 133 and name HN) (resid 133 and name HD11)
    or (resid 133 and name HN) (resid 133 and name HD13)
assign (resid 133 and name HN) (resid 134 and name HA) 4.304 2.316 2.316 weight 1.000 ! spec=HNH, no=2654, id=2477, vol=3.410000e+06
assign (resid 133 and name HN) (resid 136 and name HN) 4.106 2.108 2.108 weight 1.000 ! spec=HNH, no=2661, id=2482, vol=4.520000e+06
assign (resid 133 and name HN) (resid 133 and name HG22) 2.765 0.956 0.956 weight 1.000 ! spec=HNH, no=2662, id=2483, vol=4.840000e+07
    or (resid 133 and name HN) (resid 133 and name HG21)
    or (resid 133 and name HN) (resid 133 and name HG23)
assign (resid 133 and name HN) (resid 135 and name HN) 4.191 2.196 2.196 weight 1.000 ! spec=HNH, no=2664, id=2485, vol=4.000000e+06
assign (resid 133 and name HN) (resid 86 and name HG2) 4.041 2.042 2.042 weight 1.000 ! spec=HNH, no=2666, id=2487, vol=4.970000e+06
assign (resid 133 and name HN) (resid 87 and name HB2) 3.831 1.835 1.835 weight 1.000 ! spec=HNH, no=2667, id=2488, vol=6.850000e+06
assign (resid 133 and name HN) (resid 88 and name HB2) 3.754 1.762 1.762 weight 1.000 ! spec=HNH, no=2669, id=2490, vol=7.740000e+06
assign (resid 133 and name HN) (resid 89 and name HN) 3.632 1.649 1.649 weight 1.000 ! spec=HNH, no=2670, id=2491, vol=9.440000e+06
assign (resid 133 and name HN) (resid 131 and name HA) 3.871 1.873 1.873 weight 1.000 ! spec=HNH, no=2671, id=2492, vol=6.440000e+06
assign (resid 133 and name HN) (resid 131 and name HD12) 3.474 1.508 1.508 weight 1.000 ! spec=HNH, no=2672, id=2493, vol=1.230000e+07
    or (resid 133 and name HN) (resid 131 and name HD11)
    or (resid 133 and name HN) (resid 131 and name HD13)
assign (resid 133 and name HN) (resid 132 and name HB2) 3.499 1.530 1.530 weight 1.000 ! spec=HNH, no=2675, id=2496, vol=1.180000e+07
assign (resid 133 and name HN) (resid 133 and name HB) 2.599 0.844 0.844 weight 1.000 ! spec=HNH, no=2678, id=2498, vol=7.040000e+07
assign (resid 133 and name HN) (resid 133 and name HG12) 2.809 0.986 0.986 weight 1.000 ! spec=HNH, no=2679, id=2499, vol=4.410000e+07
assign (resid 133 and name HN) (resid 134 and name HN) 3.195 1.276 1.276 weight 1.000 ! spec=HNH, no=2680, id=2500, vol=2.040000e+07
assign (resid 134 and name HN) (resid 132 and name HB2) 3.189 1.272 1.272 weight 1.000 ! spec=HNH, no=2689, id=2509, vol=2.060000e+07
assign (resid 134 and name HN) (resid 76 and name HD22) 4.140 2.143 2.143 weight 1.000 ! spec=HNH, no=2694, id=2513, vol=4.300000e+06
    or (resid 134 and name HN) (resid 76 and name HD21)
    or (resid 134 and name HN) (resid 76 and name HD23)
assign (resid 134 and name HN) (resid 87 and name HA) 4.395 2.414 2.414 weight 1.000 ! spec=HNH, no=2695, id=2514, vol=3.010000e+06
assign (resid 134 and name HN) (resid 88 and name HA) 4.509 2.541 2.541 weight 1.000 ! spec=HNH, no=2697, id=2516, vol=2.580000e+06
assign (resid 135 and name HN) (resid 76 and name HD12) 3.639 1.656 1.656 weight 1.000 ! spec=HNH, no=2710, id=2528, vol=9.320000e+06
    or (resid 135 and name HN) (resid 76 and name HD11)
    or (resid 135 and name HN) (resid 76 and name HD13)
assign (resid 135 and name HN) (resid 132 and name HN) 4.117 2.119 2.119 weight 1.000 ! spec=HNH, no=2712, id=2530, vol=4.450000e+06
assign (resid 135 and name HN) (resid 133 and name HB) 4.041 2.041 2.041 weight 1.000 ! spec=HNH, no=2714, id=2532, vol=4.980000e+06
assign (resid 135 and name HN) (resid 133 and name HD12) 3.982 1.982 1.982 weight 1.000 ! spec=HNH, no=2715, id=2533, vol=5.430000e+06
    or (resid 135 and name HN) (resid 133 and name HD11)
    or (resid 135 and name HN) (resid 133 and name HD13)
assign (resid 134 and name HN) (resid 135 and name HN) 3.021 1.141 1.141 weight 1.000 ! spec=HNH, no=2716, id=2534, vol=2.850000e+07
assign (resid 135 and name HN) (resid 134 and name HA) 3.339 1.393 1.393 weight 1.000 ! spec=HNH, no=2717, id=2535, vol=1.560000e+07
assign (resid 135 and name HN) (resid 134 and name HB2) 2.806 0.984 0.984 weight 1.000 ! spec=HNH, no=2718, id=2536, vol=4.440000e+07
assign (resid 135 and name HN) (resid 135 and name HA) 3.008 1.131 1.131 weight 1.000 ! spec=HNH, no=2720, id=2537, vol=2.930000e+07
assign (resid 135 and name HN) (resid 136 and name HA2) 3.145 1.237 1.237 weight 1.000 ! spec=HNH, no=2723, id=2540, vol=2.240000e+07
assign (resid 135 and name HN) (resid 137 and name HB2) 4.216 2.222 2.222 weight 1.000 ! spec=HNH, no=2726, id=2543, vol=3.860000e+06
assign (resid 136 and name HN) (resid 134 and name HA) 3.665 1.679 1.679 weight 1.000 ! spec=HNH, no=2727, id=2544, vol=8.940000e+06
assign (resid 72 and name HD21) (resid 136 and name HN) 4.202 2.207 2.207 weight 1.000 ! spec=HNH, no=2730, id=2546, vol=3.930000e+06
assign (resid 136 and name HN) (resid 76 and name HD12) 2.797 0.978 0.978 weight 1.000 ! spec=HNH, no=2731, id=2547, vol=4.520000e+07
    or (resid 136 and name HN) (resid 76 and name HD11)
    or (resid 136 and name HN) (resid 76 and name HD13)
assign (resid 136 and name HN) (resid 76 and name HD22) 2.719 0.924 0.924 weight 1.000 ! spec=HNH, no=2732, id=2548, vol=5.360000e+07
    or (resid 136 and name HN) (resid 76 and name HD21)
    or (resid 136 and name HN) (resid 76 and name HD23)
assign (resid 136 and name HN) (resid 131 and name HD12) 2.709 0.917 0.917 weight 1.000 ! spec=HNH, no=2733, id=2549, vol=5.480000e+07
    or (resid 136 and name HN) (resid 131 and name HD11)
    or (resid 136 and name HN) (resid 131 and name HD13)
assign (resid 132 and name HN) (resid 136 and name HN) 4.035 2.035 2.035 weight 1.000 ! spec=HNH, no=2735, id=2551, vol=5.020000e+06
assign (resid 136 and name HN) (resid 132 and name HA) 4.450 2.475 2.475 weight 1.000 ! spec=HNH, no=2736, id=2552, vol=2.790000e+06
assign (resid 136 and name HN) (resid 132 and name HE1) 3.912 1.913 1.913 weight 1.000 ! spec=HNH, no=2738, id=2554, vol=6.040000e+06
assign (resid 136 and name HN) (resid 134 and name HN) 3.556 1.581 1.581 weight 1.000 ! spec=HNH, no=2740, id=2556, vol=1.070000e+07
assign (resid 136 and name HN) (resid 134 and name HB2) 3.371 1.421 1.421 weight 1.000 ! spec=HNH, no=2741, id=2557, vol=1.480000e+07
assign (resid 135 and name HN) (resid 136 and name HN) 2.360 0.696 0.696 weight 1.000 ! spec=HNH, no=2742, id=2558, vol=1.250000e+08
assign (resid 136 and name HN) (resid 135 and name HA) 3.225 1.300 1.300 weight 1.000 ! spec=HNH, no=2743, id=2559, vol=1.930000e+07
assign (resid 136 and name HN) (resid 136 and name HA2) 2.422 0.733 0.733 weight 1.000 ! spec=HNH, no=2746, id=2561, vol=1.070000e+08
assign (resid 136 and name HN) (resid 136 and name HA1) 2.597 0.843 0.843 weight 1.000 ! spec=HNH, no=2747, id=2562, vol=7.060000e+07
assign (resid 136 and name HN) (resid 137 and name HA) 3.472 1.507 1.507 weight 1.000 ! spec=HNH, no=2749, id=2564, vol=1.240000e+07
assign (resid 136 and name HN) (resid 137 and name HB2) 3.557 1.582 1.582 weight 1.000 ! spec=HNH, no=2750, id=2565, vol=1.070000e+07
assign (resid 137 and name HN) (resid 132 and name HA) 4.435 2.458 2.458 weight 1.000 ! spec=HNH, no=2752, id=2567, vol=2.850000e+06
assign (resid 137 and name HN) (resid 135 and name HN) 3.112 1.210 1.210 weight 1.000 ! spec=HNH, no=2754, id=2569, vol=2.390000e+07
assign (resid 137 and name HN) (resid 72 and name HD22) 3.955 1.955 1.955 weight 1.000 ! spec=HNH, no=2755, id=2570, vol=5.660000e+06
assign (resid 137 and name HN) (resid 136 and name HA2) 2.760 0.952 0.952 weight 1.000 ! spec=HNH, no=2757, id=2571, vol=4.900000e+07
assign (resid 137 and name HN) (resid 89 and name HD12) 3.927 1.928 1.928 weight 1.000 ! spec=HNH, no=2760, id=2574, vol=5.910000e+06
    or (resid 137 and name HN) (resid 89 and name HD11)
    or (resid 137 and name HN) (resid 89 and name HD13)
assign (resid 137 and name HN) (resid 131 and name HD12) 3.080 1.186 1.186 weight 1.000 ! spec=HNH, no=2767, id=2581, vol=2.540000e+07
    or (resid 137 and name HN) (resid 131 and name HD11)
    or (resid 137 and name HN) (resid 131 and name HD13)
assign (resid 132 and name HN) (resid 137 and name HN) 3.441 1.480 1.480 weight 1.000 ! spec=HNH, no=2770, id=2584, vol=1.300000e+07
assign (resid 136 and name HN) (resid 137 and name HN) 2.547 0.811 0.811 weight 1.000 ! spec=HNH, no=2771, id=2585, vol=7.940000e+07
assign (resid 137 and name HN) (resid 137 and name HA) 2.613 0.853 0.853 weight 1.000 ! spec=HNH, no=2773, id=2586, vol=6.810000e+07
assign (resid 137 and name HN) (resid 137 and name HB2) 2.368 0.701 0.701 weight 1.000 ! spec=HNH, no=2774, id=2587, vol=1.230000e+08
assign (resid 137 and name HN) (resid 138 and name HA) 4.157 2.160 2.160 weight 1.000 ! spec=HNH, no=2776, id=2589, vol=4.200000e+06
assign (resid 138 and name HN) (resid 138 and name HE3) 3.826 1.830 1.830 weight 1.000 ! spec=HNH, no=2777, id=2590, vol=6.910000e+06
assign (resid 138 and name HN) (resid 115 and name HB1) 3.873 1.875 1.875 weight 1.000 ! spec=HNH, no=2779, id=2592, vol=6.420000e+06
assign (resid 138 and name HN) (resid 138 and name HB2) 2.688 0.903 0.903 weight 1.000 ! spec=HNH, no=2781, id=2594, vol=5.750000e+07
assign (resid 138 and name HN) (resid 139 and name HA) 3.841 1.844 1.844 weight 1.000 ! spec=HNH, no=2787, id=2600, vol=6.740000e+06
assign (resid 138 and name HN) (resid 137 and name HN) 3.464 1.500 1.500 weight 1.000 ! spec=HNH, no=2788, id=2601, vol=1.250000e+07
assign (resid 138 and name HN) (resid 115 and name HE3) 3.703 1.714 1.714 weight 1.000 ! spec=HNH, no=2789, id=2602, vol=8.400000e+06
assign (resid 138 and name HN) (resid 114 and name HA) 3.703 1.714 1.714 weight 1.000 ! spec=HNH, no=2791, id=2604, vol=8.400000e+06
assign (resid 138 and name HN) (resid 114 and name HB2) 3.140 1.233 1.233 weight 1.000 ! spec=HNH, no=2792, id=2605, vol=2.260000e+07
assign (resid 138 and name HN) (resid 115 and name HA) 3.127 1.222 1.222 weight 1.000 ! spec=HNH, no=2794, id=2607, vol=2.320000e+07
assign (resid 138 and name HN) (resid 116 and name HB) 3.339 1.394 1.394 weight 1.000 ! spec=HNH, no=2795, id=2608, vol=1.560000e+07
assign (resid 138 and name HN) (resid 116 and name HG21) 3.203 1.282 1.282 weight 1.000 ! spec=HNH, no=2796, id=2609, vol=2.010000e+07
    or (resid 138 and name HN) (resid 116 and name HG22)
    or (resid 138 and name HN) (resid 116 and name HG23)
assign (resid 138 and name HN) (resid 131 and name HA) 3.446 1.484 1.484 weight 1.000 ! spec=HNH, no=2797, id=2610, vol=1.290000e+07
assign (resid 138 and name HN) (resid 137 and name HB1) 2.890 1.044 1.044 weight 1.000 ! spec=HNH, no=2800, id=2613, vol=3.720000e+07
assign (resid 138 and name HN) (resid 138 and name HA) 3.047 1.160 1.160 weight 1.000 ! spec=HNH, no=2802, id=2614, vol=2.710000e+07
assign (resid 138 and name HN) (resid 138 and name HE1) 3.920 1.921 1.921 weight 1.000 ! spec=HNH, no=2808, id=2620, vol=5.970000e+06
assign (resid 72 and name HD21) (resid 138 and name HE1) 3.551 1.576 1.576 weight 1.000 ! spec=HNH, no=2809, id=2621, vol=1.080000e+07
assign (resid 114 and name HN) (resid 138 and name HE1) 3.843 1.847 1.847 weight 1.000 ! spec=HNH, no=2810, id=2622, vol=6.720000e+06
assign (resid 138 and name HE1) (resid 136 and name HA2) 4.093 2.094 2.094 weight 1.000 ! spec=HNH, no=2811, id=2623, vol=4.610000e+06
assign (resid 138 and name HE1) (resid 137 and name HA) 3.913 1.914 1.914 weight 1.000 ! spec=HNH, no=2818, id=2630, vol=6.030000e+06
assign (resid 138 and name HE1) (resid 138 and name HZ3) 4.115 2.117 2.117 weight 1.000 ! spec=HNH, no=2819, id=2631, vol=4.460000e+06
assign (resid 138 and name HE1) (resid 138 and name HE3) 4.469 2.497 2.497 weight 1.000 ! spec=HNH, no=2823, id=2635, vol=2.720000e+06
assign (resid 138 and name HE1) (resid 139 and name HN) 4.465 2.492 2.492 weight 1.000 ! spec=HNH, no=2825, id=2637, vol=2.740000e+06
assign (resid 138 and name HE1) (resid 66 and name HN) 4.415 2.436 2.436 weight 1.000 ! spec=HNH, no=2827, id=2639, vol=2.930000e+06
assign (resid 138 and name HE1) (resid 66 and name HB) 3.537 1.564 1.564 weight 1.000 ! spec=HNH, no=2828, id=2640, vol=1.110000e+07
assign (resid 138 and name HE1) (resid 66 and name HG22) 3.037 1.153 1.153 weight 1.000 ! spec=HNH, no=2829, id=2641, vol=2.760000e+07
    or (resid 138 and name HE1) (resid 66 and name HG21)
    or (resid 138 and name HE1) (resid 66 and name HG23)
assign (resid 138 and name HE1) (resid 72 and name HN) 4.385 2.403 2.403 weight 1.000 ! spec=HNH, no=2830, id=2642, vol=3.050000e+06
assign (resid 138 and name HE1) (resid 72 and name HA) 3.938 1.938 1.938 weight 1.000 ! spec=HNH, no=2831, id=2643, vol=5.810000e+06
assign (resid 138 and name HE1) (resid 72 and name HB1) 4.120 2.122 2.122 weight 1.000 ! spec=HNH, no=2832, id=2644, vol=4.430000e+06
assign (resid 138 and name HE1) (resid 114 and name HB2) 3.238 1.311 1.311 weight 1.000 ! spec=HNH, no=2835, id=2647, vol=1.880000e+07
assign (resid 138 and name HE1) (resid 114 and name HB1) 3.083 1.188 1.188 weight 1.000 ! spec=HNH, no=2836, id=2648, vol=2.520000e+07
assign (resid 138 and name HE1) (resid 131 and name HA) 3.848 1.850 1.850 weight 1.000 ! spec=HNH, no=2837, id=2649, vol=6.680000e+06
assign (resid 138 and name HE1) (resid 131 and name HB2) 3.160 1.248 1.248 weight 1.000 ! spec=HNH, no=2838, id=2650, vol=2.170000e+07
assign (resid 138 and name HE1) (resid 131 and name HD22) 3.204 1.283 1.283 weight 1.000 ! spec=HNH, no=2840, id=2652, vol=2.000000e+07
    or (resid 138 and name HE1) (resid 131 and name HD21)
    or (resid 138 and name HE1) (resid 131 and name HD23)
assign (resid 138 and name HE1) (resid 132 and name HN) 4.265 2.274 2.274 weight 1.000 ! spec=HNH, no=2841, id=2653, vol=3.600000e+06
assign (resid 138 and name HE1) (resid 138 and name HA) 3.724 1.734 1.734 weight 1.000 ! spec=HNH, no=2842, id=2654, vol=8.120000e+06
assign (resid 139 and name HN) (resid 116 and name HG21) 3.177 1.262 1.262 weight 1.000 ! spec=HNH, no=2847, id=2658, vol=2.110000e+07
    or (resid 139 and name HN) (resid 116 and name HG22)
    or (resid 139 and name HN) (resid 116 and name HG23)
assign (resid 139 and name HN) (resid 139 and name HG2) 3.089 1.193 1.193 weight 1.000 ! spec=HNH, no=2852, id=2662, vol=2.490000e+07
assign (resid 139 and name HN) (resid 115 and name HE3) 4.046 2.046 2.046 weight 1.000 ! spec=HNH, no=2858, id=2668, vol=4.940000e+06
assign (resid 139 and name HN) (resid 115 and name HH2) 4.180 2.184 2.184 weight 1.000 ! spec=HNH, no=2859, id=2669, vol=4.060000e+06
assign (resid 139 and name HN) (resid 115 and name HZ3) 3.696 1.707 1.707 weight 1.000 ! spec=HNH, no=2861, id=2671, vol=8.500000e+06
assign (resid 130 and name HN) (resid 139 and name HN) 2.806 0.984 0.984 weight 1.000 ! spec=HNH, no=2862, id=2672, vol=4.440000e+07
assign (resid 139 and name HN) (resid 131 and name HA) 3.320 1.378 1.378 weight 1.000 ! spec=HNH, no=2865, id=2675, vol=1.620000e+07
assign (resid 138 and name HN) (resid 139 and name HN) 3.656 1.671 1.671 weight 1.000 ! spec=HNH, no=2868, id=2678, vol=9.060000e+06
assign (resid 139 and name HN) (resid 138 and name HA) 2.353 0.692 0.692 weight 1.000 ! spec=HNH, no=2869, id=2679, vol=1.280000e+08
assign (resid 139 and name HN) (resid 138 and name HB2) 2.928 1.072 1.072 weight 1.000 ! spec=HNH, no=2870, id=2680, vol=3.430000e+07
assign (resid 139 and name HN) (resid 138 and name HB1) 2.906 1.056 1.056 weight 1.000 ! spec=HNH, no=2871, id=2681, vol=3.600000e+07
assign (resid 139 and name HN) (resid 139 and name HA) 2.805 0.983 0.983 weight 1.000 ! spec=HNH, no=2874, id=2683, vol=4.450000e+07
assign (resid 139 and name HN) (resid 139 and name HB2) 2.901 1.052 1.052 weight 1.000 ! spec=HNH, no=2875, id=2684, vol=3.630000e+07
assign (resid 139 and name HN) (resid 139 and name HB1) 3.043 1.158 1.158 weight 1.000 ! spec=HNH, no=2876, id=2685, vol=2.730000e+07
assign (resid 139 and name HN) (resid 139 and name HG1) 3.007 1.131 1.131 weight 1.000 ! spec=HNH, no=2877, id=2686, vol=2.930000e+07
assign (resid 139 and name HN) (resid 140 and name HA) 3.504 1.535 1.535 weight 1.000 ! spec=HNH, no=2879, id=2688, vol=1.170000e+07
assign (resid 140 and name HN) (resid 139 and name HG1) 3.052 1.165 1.165 weight 1.000 ! spec=HNH, no=2886, id=2692, vol=2.680000e+07
assign (resid 140 and name HN) (resid 140 and name HG1) 2.700 0.912 0.912 weight 1.000 ! spec=HNH, no=2888, id=2694, vol=5.590000e+07
assign (resid 140 and name HN) (resid 138 and name HA) 4.205 2.211 2.211 weight 1.000 ! spec=HNH, no=2892, id=2697, vol=3.920000e+06
assign (resid 140 and name HN) (resid 140 and name HE2) 3.880 1.882 1.882 weight 1.000 ! spec=HNH, no=2893, id=2698, vol=6.350000e+06
assign (resid 140 and name HN) (resid 115 and name HZ3) 3.583 1.604 1.604 weight 1.000 ! spec=HNH, no=2898, id=2703, vol=1.020000e+07
assign (resid 140 and name HN) (resid 118 and name HG2) 3.846 1.849 1.849 weight 1.000 ! spec=HNH, no=2899, id=2704, vol=6.690000e+06
assign (resid 140 and name HN) (resid 124 and name HD22) 3.754 1.761 1.761 weight 1.000 ! spec=HNH, no=2900, id=2705, vol=7.750000e+06
    or (resid 140 and name HN) (resid 124 and name HD21)
    or (resid 140 and name HN) (resid 124 and name HD23)
assign (resid 139 and name HN) (resid 140 and name HN) 3.468 1.504 1.504 weight 1.000 ! spec=HNH, no=2901, id=2706, vol=1.240000e+07
assign (resid 140 and name HN) (resid 139 and name HA) 2.203 0.607 0.607 weight 1.000 ! spec=HNH, no=2902, id=2707, vol=1.900000e+08
assign (resid 140 and name HN) (resid 140 and name HA) 2.762 0.953 0.953 weight 1.000 ! spec=HNH, no=2905, id=2709, vol=4.880000e+07
assign (resid 140 and name HN) (resid 140 and name HB2) 2.555 0.816 0.816 weight 1.000 ! spec=HNH, no=2906, id=2710, vol=7.790000e+07
assign (resid 140 and name HN) (resid 140 and name HG2) 3.006 1.130 1.130 weight 1.000 ! spec=HNH, no=2908, id=2712, vol=2.940000e+07
assign (resid 141 and name HN) (resid 124 and name HD22) 3.450 1.488 1.488 weight 1.000 ! spec=HNH, no=2912, id=2716, vol=1.280000e+07
    or (resid 141 and name HN) (resid 124 and name HD21)
    or (resid 141 and name HN) (resid 124 and name HD23)
assign (resid 141 and name HN) (resid 115 and name HZ3) 4.060 2.061 2.061 weight 1.000 ! spec=HNH, no=2913, id=2717, vol=4.830000e+06
assign (resid 141 and name HN) (resid 127 and name HN) 4.214 2.219 2.219 weight 1.000 ! spec=HNH, no=2920, id=2724, vol=3.870000e+06
assign (resid 141 and name HN) (resid 140 and name HA) 2.192 0.601 0.601 weight 1.000 ! spec=HNH, no=2928, id=2732, vol=1.950000e+08
assign (resid 141 and name HN) (resid 140 and name HB1) 2.768 0.958 0.958 weight 1.000 ! spec=HNH, no=2930, id=2734, vol=4.820000e+07
assign (resid 141 and name HN) (resid 141 and name HA2) 2.679 0.897 0.897 weight 1.000 ! spec=HNH, no=2932, id=2735, vol=5.860000e+07
assign (resid 141 and name HN) (resid 141 and name HA1) 2.706 0.916 0.916 weight 1.000 ! spec=HNH, no=2933, id=2736, vol=5.510000e+07
assign (resid 141 and name HN) (resid 142 and name HA) 3.519 1.548 1.548 weight 1.000 ! spec=HNH, no=2935, id=2738, vol=1.140000e+07
assign (resid 142 and name HN) (resid 141 and name HA2) 2.390 0.714 0.714 weight 1.000 ! spec=HNH, no=2938, id=2741, vol=1.160000e+08
assign (resid 142 and name HN) (resid 141 and name HA1) 2.365 0.699 0.699 weight 1.000 ! spec=HNH, no=2940, id=2743, vol=1.240000e+08
assign (resid 142 and name HN) (resid 144 and name HN) 3.666 1.680 1.680 weight 1.000 ! spec=HNH, no=2943, id=2746, vol=8.930000e+06
assign (resid 142 and name HN) (resid 124 and name HD22) 3.132 1.226 1.226 weight 1.000 ! spec=HNH, no=2944, id=2747, vol=2.290000e+07
    or (resid 142 and name HN) (resid 124 and name HD21)
    or (resid 142 and name HN) (resid 124 and name HD23)
assign (resid 142 and name HN) (resid 127 and name HG21) 3.511 1.541 1.541 weight 1.000 ! spec=HNH, no=2946, id=2749, vol=1.160000e+07
    or (resid 142 and name HN) (resid 127 and name HG22)
    or (resid 142 and name HN) (resid 127 and name HG23)
assign (resid 141 and name HN) (resid 142 and name HN) 3.287 1.351 1.351 weight 1.000 ! spec=HNH, no=2948, id=2751, vol=1.720000e+07
assign (resid 142 and name HN) (resid 142 and name HA) 2.648 0.877 0.877 weight 1.000 ! spec=HNH, no=2950, id=2752, vol=6.280000e+07
assign (resid 142 and name HN) (resid 142 and name HD21) 3.375 1.424 1.424 weight 1.000 ! spec=HNH, no=2951, id=2753, vol=1.470000e+07
assign (resid 142 and name HN) (resid 143 and name HN) 3.167 1.253 1.253 weight 1.000 ! spec=HNH, no=2953, id=2755, vol=2.150000e+07
assign (resid 142 and name HD21) (resid 144 and name HG2) 3.487 1.520 1.520 weight 1.000 ! spec=HNH, no=2955, id=2757, vol=1.210000e+07
    or (resid 142 and name HD21) (resid 144 and name HG1)
assign (resid 142 and name HD21) (resid 141 and name HA2) 3.950 1.950 1.950 weight 1.000 ! spec=HNH, no=2956, id=2758, vol=5.710000e+06
assign (resid 142 and name HD21) (resid 127 and name HG21) 3.818 1.822 1.822 weight 1.000 ! spec=HNH, no=2962, id=2764, vol=6.990000e+06
    or (resid 142 and name HD21) (resid 127 and name HG22)
    or (resid 142 and name HD21) (resid 127 and name HG23)
assign (resid 142 and name HD21) (resid 124 and name HD22) 3.560 1.584 1.584 weight 1.000 ! spec=HNH, no=2965, id=2767, vol=1.060000e+07
    or (resid 142 and name HD21) (resid 124 and name HD21)
    or (resid 142 and name HD21) (resid 124 and name HD23)
assign (resid 142 and name HD22) (resid 144 and name HB1) 3.681 1.693 1.693 weight 1.000 ! spec=HNH, no=2966, id=2768, vol=8.710000e+06
assign (resid 142 and name HD22) (resid 143 and name HN) 3.959 1.959 1.959 weight 1.000 ! spec=HNH, no=2967, id=2769, vol=5.630000e+06
assign (resid 142 and name HD22) (resid 124 and name HD22) 3.615 1.634 1.634 weight 1.000 ! spec=HNH, no=2968, id=2770, vol=9.710000e+06
    or (resid 142 and name HD22) (resid 124 and name HD21)
    or (resid 142 and name HD22) (resid 124 and name HD23)
assign (resid 142 and name HD22) (resid 144 and name HB2) 3.493 1.525 1.525 weight 1.000 ! spec=HNH, no=2969, id=2771, vol=1.190000e+07
assign (resid 142 and name HD22) (resid 141 and name HA2) 4.167 2.171 2.171 weight 1.000 ! spec=HNH, no=2974, id=2776, vol=4.140000e+06
assign (resid 142 and name HD22) (resid 144 and name HG2) 3.654 1.669 1.669 weight 1.000 ! spec=HNH, no=2975, id=2777, vol=9.100000e+06
    or (resid 142 and name HD22) (resid 144 and name HG1)
assign (resid 142 and name HD22) (resid 142 and name HN) 3.752 1.759 1.759 weight 1.000 ! spec=HNH, no=2979, id=2781, vol=7.770000e+06
assign (resid 142 and name HD21) (resid 142 and name HA) 3.244 1.315 1.315 weight 1.000 ! spec=HNH, no=2980, id=2782, vol=1.860000e+07
assign (resid 142 and name HD22) (resid 142 and name HA) 3.498 1.530 1.530 weight 1.000 ! spec=HNH, no=2981, id=2783, vol=1.180000e+07
assign (resid 142 and name HD22) (resid 142 and name HD21) 1.672 0.349 0.349 weight 1.000 ! spec=HNH, no=2984, id=2785, vol=9.920000e+08
assign (resid 142 and name HD21) (resid 142 and name HB2) 2.418 0.731 0.731 weight 1.000 ! spec=HNH, no=2986, id=2786, vol=1.080000e+08
assign (resid 142 and name HD21) (resid 143 and name HN) 3.600 1.620 1.620 weight 1.000 ! spec=HNH, no=2988, id=2788, vol=9.950000e+06
assign (resid 143 and name HN) (resid 49 and name HB) 3.727 1.736 1.736 weight 1.000 ! spec=HNH, no=2989, id=2789, vol=8.090000e+06
assign (resid 143 and name HN) (resid 144 and name HB2) 3.907 1.908 1.908 weight 1.000 ! spec=HNH, no=2992, id=2792, vol=6.090000e+06
assign (resid 143 and name HN) (resid 128 and name HB2) 3.118 1.215 1.215 weight 1.000 ! spec=HNH, no=2996, id=2796, vol=2.360000e+07
assign (resid 143 and name HN) (resid 142 and name HA) 2.156 0.581 0.581 weight 1.000 ! spec=HNH, no=2997, id=2797, vol=2.160000e+08
assign (resid 143 and name HN) (resid 142 and name HB2) 2.448 0.749 0.749 weight 1.000 ! spec=HNH, no=3000, id=2800, vol=1.010000e+08
assign (resid 143 and name HN) (resid 143 and name HB2) 2.469 0.762 0.762 weight 1.000 ! spec=HNH, no=3003, id=2802, vol=9.560000e+07
assign (resid 143 and name HN) (resid 143 and name HB1) 2.659 0.884 0.884 weight 1.000 ! spec=HNH, no=3004, id=2803, vol=6.130000e+07
assign (resid 143 and name HN) (resid 144 and name HG2) 3.589 1.610 1.610 weight 1.000 ! spec=HNH, no=3005, id=2804, vol=1.010000e+07
assign (resid 143 and name HN) (resid 145 and name HN) 3.906 1.907 1.907 weight 1.000 ! spec=HNH, no=3006, id=2805, vol=6.100000e+06
assign (resid 144 and name HN) (resid 142 and name HD22) 3.089 1.193 1.193 weight 1.000 ! spec=HNH, no=3014, id=2813, vol=2.490000e+07
assign (resid 143 and name HN) (resid 144 and name HN) 2.619 0.857 0.857 weight 1.000 ! spec=HNH, no=3015, id=2814, vol=6.720000e+07
assign (resid 144 and name HN) (resid 143 and name HA) 2.519 0.793 0.793 weight 1.000 ! spec=HNH, no=3016, id=2815, vol=8.470000e+07
assign (resid 144 and name HN) (resid 144 and name HA) 2.357 0.694 0.694 weight 1.000 ! spec=HNH, no=3019, id=2817, vol=1.260000e+08
assign (resid 144 and name HN) (resid 144 and name HB2) 2.287 0.654 0.654 weight 1.000 ! spec=HNH, no=3020, id=2818, vol=1.510000e+08
assign (resid 144 and name HN) (resid 144 and name HG2) 2.495 0.778 0.778 weight 1.000 ! spec=HNH, no=3021, id=2819, vol=8.990000e+07
assign (resid 145 and name HN) (resid 49 and name HA) 3.566 1.590 1.590 weight 1.000 ! spec=HNH, no=3027, id=2825, vol=1.050000e+07
assign (resid 145 and name HN) (resid 143 and name HB1) 3.922 1.922 1.922 weight 1.000 ! spec=HNH, no=3028, id=2826, vol=5.960000e+06
assign (resid 145 and name HN) (resid 143 and name HB2) 3.811 1.816 1.816 weight 1.000 ! spec=HNH, no=3029, id=2827, vol=7.070000e+06
assign (resid 145 and name HN) (resid 144 and name HB2) 3.226 1.301 1.301 weight 1.000 ! spec=HNH, no=3031, id=2829, vol=1.920000e+07
assign (resid 145 and name HN) (resid 145 and name HA) 2.533 0.802 0.802 weight 1.000 ! spec=HNH, no=3034, id=2831, vol=8.190000e+07
assign (resid 146 and name HN) (resid 147 and name HN) 2.682 0.899 0.899 weight 1.000 ! spec=HNH, no=3039, id=2836, vol=5.820000e+07
assign (resid 146 and name HN) (resid 46 and name HB) 3.564 1.588 1.588 weight 1.000 ! spec=HNH, no=3044, id=2840, vol=1.060000e+07
assign (resid 146 and name HN) (resid 145 and name HA) 2.405 0.723 0.723 weight 1.000 ! spec=HNH, no=3047, id=2843, vol=1.120000e+08
assign (resid 146 and name HN) (resid 145 and name HG12) 2.746 0.943 0.943 weight 1.000 ! spec=HNH, no=3048, id=2844, vol=5.050000e+07
    or (resid 146 and name HN) (resid 145 and name HG11)
    or (resid 146 and name HN) (resid 145 and name HG13)
assign (resid 146 and name HN) (resid 145 and name HG22) 3.025 1.144 1.144 weight 1.000 ! spec=HNH, no=3049, id=2845, vol=2.830000e+07
    or (resid 146 and name HN) (resid 145 and name HG21)
    or (resid 146 and name HN) (resid 145 and name HG23)
assign (resid 146 and name HN) (resid 146 and name HA) 2.485 0.772 0.772 weight 1.000 ! spec=HNH, no=3051, id=2846, vol=9.200000e+07
assign (resid 146 and name HN) (resid 146 and name HB2) 2.616 0.855 0.855 weight 1.000 ! spec=HNH, no=3052, id=2847, vol=6.770000e+07
assign (resid 146 and name HN) (resid 146 and name HB1) 2.713 0.920 0.920 weight 1.000 ! spec=HNH, no=3053, id=2848, vol=5.430000e+07
assign (resid 146 and name HN) (resid 147 and name HA) 3.605 1.624 1.624 weight 1.000 ! spec=HNH, no=3054, id=2849, vol=9.880000e+06
assign (resid 148 and name HN) (resid 148 and name HB) 2.486 0.772 0.772 weight 1.000 ! spec=HNH, no=3072, id=2864, vol=9.190000e+07
assign (resid 148 and name HN) (resid 149 and name HN) 3.184 1.267 1.267 weight 1.000 ! spec=HNH, no=3074, id=2866, vol=2.080000e+07
assign (resid 149 and name HN) (resid 43 and name HB2) 3.829 1.833 1.833 weight 1.000 ! spec=HNH, no=3075, id=2867, vol=6.870000e+06
    or (resid 149 and name HN) (resid 43 and name HB1)
    or (resid 149 and name HN) (resid 43 and name HB3)
assign (resid 149 and name HN) (resid 148 and name HA) 2.148 0.577 0.577 weight 1.000 ! spec=HNH, no=3078, id=2870, vol=2.210000e+08
assign (resid 149 and name HN) (resid 43 and name HA) 3.778 1.785 1.785 weight 1.000 ! spec=HNH, no=3082, id=2874, vol=7.440000e+06
assign (resid 149 and name HN) (resid 149 and name HG1) 2.478 0.767 0.767 weight 1.000 ! spec=HNH, no=3084, id=2876, vol=9.360000e+07
assign (resid 149 and name HN) (resid 46 and name HG22) 3.795 1.800 1.800 weight 1.000 ! spec=HNH, no=3085, id=2877, vol=7.260000e+06
    or (resid 149 and name HN) (resid 46 and name HG21)
    or (resid 149 and name HN) (resid 46 and name HG23)
assign (resid 149 and name HN) (resid 149 and name HB2) 2.615 0.855 0.855 weight 1.000 ! spec=HNH, no=3088, id=2879, vol=6.770000e+07
assign (resid 149 and name HN) (resid 150 and name HA1) 3.507 1.538 1.538 weight 1.000 ! spec=HNH, no=3091, id=2882, vol=1.160000e+07
assign (resid 150 and name HN) (resid 151 and name HB) 3.667 1.681 1.681 weight 1.000 ! spec=HNH, no=3099, id=2890, vol=8.910000e+06
assign (resid 149 and name HN) (resid 150 and name HN) 2.421 0.733 0.733 weight 1.000 ! spec=HNH, no=3110, id=2901, vol=1.080000e+08
assign (resid 150 and name HN) (resid 149 and name HA) 2.382 0.709 0.709 weight 1.000 ! spec=HNH, no=3111, id=2902, vol=1.180000e+08
assign (resid 150 and name HN) (resid 150 and name HA2) 2.407 0.724 0.724 weight 1.000 ! spec=HNH, no=3113, id=2903, vol=1.110000e+08
assign (resid 150 and name HN) (resid 150 and name HA1) 2.425 0.735 0.735 weight 1.000 ! spec=HNH, no=3114, id=2904, vol=1.060000e+08
assign (resid 150 and name HN) (resid 151 and name HN) 3.008 1.131 1.131 weight 1.000 ! spec=HNH, no=3115, id=2905, vol=2.930000e+07
assign (resid 151 and name HN) (resid 151 and name HA) 2.960 1.095 1.095 weight 1.000 ! spec=HNH, no=3118, id=2908, vol=3.220000e+07
assign (resid 151 and name HN) (resid 39 and name HZ) 3.358 1.409 1.409 weight 1.000 ! spec=HNH, no=3121, id=2911, vol=1.510000e+07
assign (resid 42 and name HN) (resid 151 and name HN) 3.143 1.235 1.235 weight 1.000 ! spec=HNH, no=3122, id=2912, vol=2.250000e+07
assign (resid 151 and name HN) (resid 39 and name HD1) 3.731 1.740 1.740 weight 1.000 ! spec=HNH, no=3123, id=2913, vol=8.030000e+06
assign (resid 40 and name HN) (resid 151 and name HN) 2.830 1.001 1.001 weight 1.000 ! spec=HNH, no=3124, id=2914, vol=4.220000e+07
assign (resid 151 and name HN) (resid 40 and name HD22) 3.619 1.637 1.637 weight 1.000 ! spec=HNH, no=3126, id=2916, vol=9.640000e+06
    or (resid 151 and name HN) (resid 40 and name HD21)
    or (resid 151 and name HN) (resid 40 and name HD23)
assign (resid 151 and name HN) (resid 150 and name HA2) 2.421 0.733 0.733 weight 1.000 ! spec=HNH, no=3128, id=2918, vol=1.080000e+08
assign (resid 151 and name HN) (resid 150 and name HA1) 2.430 0.738 0.738 weight 1.000 ! spec=HNH, no=3129, id=2919, vol=1.050000e+08
assign (resid 151 and name HN) (resid 151 and name HB) 2.764 0.955 0.955 weight 1.000 ! spec=HNH, no=3131, id=2920, vol=4.860000e+07
assign (resid 151 and name HN) (resid 152 and name HA) 4.007 2.007 2.007 weight 1.000 ! spec=HNH, no=3132, id=2921, vol=5.230000e+06
assign (resid 152 and name HN) (resid 39 and name HZ) 3.988 1.988 1.988 weight 1.000 ! spec=HNH, no=3137, id=2925, vol=5.380000e+06
assign (resid 152 and name HN) (resid 39 and name HA) 4.427 2.450 2.450 weight 1.000 ! spec=HNH, no=3145, id=2933, vol=2.880000e+06
assign (resid 152 and name HN) (resid 39 and name HD1) 3.557 1.582 1.582 weight 1.000 ! spec=HNH, no=3146, id=2934, vol=1.070000e+07
assign (resid 152 and name HN) (resid 63 and name HB1) 4.116 2.117 2.117 weight 1.000 ! spec=HNH, no=3148, id=2936, vol=4.460000e+06
assign (resid 152 and name HN) (resid 63 and name HE2) 3.711 1.721 1.721 weight 1.000 ! spec=HNH, no=3149, id=2937, vol=8.300000e+06
    or (resid 152 and name HN) (resid 63 and name HE1)
    or (resid 152 and name HN) (resid 63 and name HE3)
assign (resid 152 and name HN) (resid 152 and name HA) 2.909 1.058 1.058 weight 1.000 ! spec=HNH, no=3153, id=2940, vol=3.580000e+07
assign (resid 152 and name HN) (resid 152 and name HB2) 2.711 0.918 0.918 weight 1.000 ! spec=HNH, no=3154, id=2941, vol=5.460000e+07
assign (resid 152 and name HN) (resid 152 and name HB1) 2.769 0.958 0.958 weight 1.000 ! spec=HNH, no=3155, id=2942, vol=4.810000e+07
assign (resid 153 and name HN) (resid 75 and name HG22) 4.050 2.050 2.050 weight 1.000 ! spec=HNH, no=3159, id=2945, vol=4.910000e+06
    or (resid 153 and name HN) (resid 75 and name HG21)
    or (resid 153 and name HN) (resid 75 and name HG23)
assign (resid 153 and name HN) (resid 151 and name HG21) 3.383 1.431 1.431 weight 1.000 ! spec=HNH, no=3162, id=2948, vol=1.440000e+07
    or (resid 153 and name HN) (resid 151 and name HG22)
    or (resid 153 and name HN) (resid 151 and name HG23)
assign (resid 153 and name HN) (resid 29 and name HZ3) 4.257 2.265 2.265 weight 1.000 ! spec=HNH, no=3164, id=2950, vol=3.640000e+06
assign (resid 153 and name HN) (resid 38 and name HA) 4.087 2.088 2.088 weight 1.000 ! spec=HNH, no=3168, id=2954, vol=4.650000e+06
assign (resid 153 and name HN) (resid 38 and name HB) 4.228 2.235 2.235 weight 1.000 ! spec=HNH, no=3169, id=2955, vol=3.790000e+06
assign (resid 153 and name HN) (resid 38 and name HD12) 4.126 2.127 2.127 weight 1.000 ! spec=HNH, no=3170, id=2956, vol=4.390000e+06
    or (resid 153 and name HN) (resid 38 and name HD11)
    or (resid 153 and name HN) (resid 38 and name HD13)
assign (resid 153 and name HN) (resid 38 and name HG22) 3.037 1.153 1.153 weight 1.000 ! spec=HNH, no=3171, id=2957, vol=2.760000e+07
    or (resid 153 and name HN) (resid 38 and name HG21)
    or (resid 153 and name HN) (resid 38 and name HG23)
assign (resid 153 and name HN) (resid 39 and name HD1) 3.805 1.809 1.809 weight 1.000 ! spec=HNH, no=3172, id=2958, vol=7.140000e+06
assign (resid 153 and name HN) (resid 40 and name HD22) 3.989 1.989 1.989 weight 1.000 ! spec=HNH, no=3173, id=2959, vol=5.370000e+06
    or (resid 153 and name HN) (resid 40 and name HD21)
    or (resid 153 and name HN) (resid 40 and name HD23)
assign (resid 153 and name HN) (resid 152 and name HB2) 3.236 1.309 1.309 weight 1.000 ! spec=HNH, no=3175, id=2961, vol=1.890000e+07
assign (resid 153 and name HN) (resid 152 and name HB1) 3.333 1.388 1.388 weight 1.000 ! spec=HNH, no=3176, id=2962, vol=1.580000e+07
assign (resid 153 and name HN) (resid 153 and name HA) 3.164 1.252 1.252 weight 1.000 ! spec=HNH, no=3180, id=2965, vol=2.160000e+07
assign (resid 153 and name HN) (resid 153 and name HB2) 3.012 1.134 1.134 weight 1.000 ! spec=HNH, no=3181, id=2966, vol=2.900000e+07
assign (resid 153 and name HN) (resid 153 and name HB1) 3.305 1.365 1.365 weight 1.000 ! spec=HNH, no=3182, id=2967, vol=1.660000e+07
assign (resid 154 and name HN) (resid 64 and name HA) 3.406 1.450 1.450 weight 1.000 ! spec=HNH, no=3189, id=2974, vol=1.390000e+07
assign (resid 154 and name HN) (resid 56 and name HB2) 3.334 1.389 1.389 weight 1.000 ! spec=HNH, no=3190, id=2975, vol=1.580000e+07
assign (resid 154 and name HN) (resid 37 and name HA) 3.757 1.765 1.765 weight 1.000 ! spec=HNH, no=3192, id=2977, vol=7.700000e+06
assign (resid 154 and name HN) (resid 38 and name HG22) 3.686 1.698 1.698 weight 1.000 ! spec=HNH, no=3194, id=2979, vol=8.640000e+06
    or (resid 154 and name HN) (resid 38 and name HG21)
    or (resid 154 and name HN) (resid 38 and name HG23)
assign (resid 154 and name HN) (resid 61 and name HB2) 2.619 0.857 0.857 weight 1.000 ! spec=HNH, no=3195, id=2980, vol=6.720000e+07
    or (resid 154 and name HN) (resid 61 and name HB1)
    or (resid 154 and name HN) (resid 61 and name HB3)
assign (resid 62 and name HN) (resid 154 and name HN) 2.773 0.961 0.961 weight 1.000 ! spec=HNH, no=3196, id=2981, vol=4.760000e+07
assign (resid 154 and name HN) (resid 63 and name HN) 4.125 2.127 2.127 weight 1.000 ! spec=HNH, no=3197, id=2982, vol=4.400000e+06
assign (resid 64 and name HN) (resid 154 and name HN) 3.491 1.524 1.524 weight 1.000 ! spec=HNH, no=3198, id=2983, vol=1.200000e+07
assign (resid 65 and name HN) (resid 154 and name HN) 4.202 2.207 2.207 weight 1.000 ! spec=HNH, no=3199, id=2984, vol=3.930000e+06
assign (resid 153 and name HN) (resid 154 and name HN) 3.590 1.611 1.611 weight 1.000 ! spec=HNH, no=3200, id=2985, vol=1.010000e+07
assign (resid 154 and name HN) (resid 153 and name HA) 2.419 0.732 0.732 weight 1.000 ! spec=HNH, no=3201, id=2986, vol=1.080000e+08
assign (resid 154 and name HN) (resid 153 and name HB2) 2.769 0.958 0.958 weight 1.000 ! spec=HNH, no=3202, id=2987, vol=4.810000e+07
assign (resid 154 and name HN) (resid 153 and name HB1) 2.571 0.826 0.826 weight 1.000 ! spec=HNH, no=3203, id=2988, vol=7.510000e+07
assign (resid 154 and name HN) (resid 154 and name HA) 3.069 1.178 1.178 weight 1.000 ! spec=HNH, no=3204, id=2989, vol=2.590000e+07
assign (resid 154 and name HN) (resid 154 and name HB1) 2.745 0.942 0.942 weight 1.000 ! spec=HNH, no=3205, id=2990, vol=5.060000e+07
assign (resid 154 and name HN) (resid 154 and name HG2) 3.195 1.276 1.276 weight 1.000 ! spec=HNH, no=3206, id=2991, vol=2.040000e+07
assign (resid 154 and name HN) (resid 155 and name HA) 3.335 1.390 1.390 weight 1.000 ! spec=HNH, no=3207, id=2992, vol=1.570000e+07
assign (resid 155 and name HN) (resid 29 and name HZ3) 4.257 2.265 2.265 weight 1.000 ! spec=HNH, no=3222, id=3001, vol=3.640000e+06
assign (resid 155 and name HN) (resid 35 and name HA) 3.692 1.704 1.704 weight 1.000 ! spec=HNH, no=3223, id=3002, vol=8.560000e+06
assign (resid 155 and name HN) (resid 35 and name HB2) 3.546 1.572 1.572 weight 1.000 ! spec=HNH, no=3224, id=3003, vol=1.090000e+07
assign (resid 155 and name HN) (resid 35 and name HB1) 3.885 1.887 1.887 weight 1.000 ! spec=HNH, no=3225, id=3004, vol=6.300000e+06
assign (resid 36 and name HN) (resid 155 and name HN) 2.958 1.094 1.094 weight 1.000 ! spec=HNH, no=3226, id=3005, vol=3.230000e+07
assign (resid 155 and name HN) (resid 36 and name HB2) 3.417 1.459 1.459 weight 1.000 ! spec=HNH, no=3227, id=3006, vol=1.360000e+07
assign (resid 155 and name HN) (resid 36 and name HB1) 3.455 1.492 1.492 weight 1.000 ! spec=HNH, no=3228, id=3007, vol=1.270000e+07
assign (resid 155 and name HN) (resid 37 and name HN) 4.226 2.233 2.233 weight 1.000 ! spec=HNH, no=3229, id=3008, vol=3.800000e+06
assign (resid 155 and name HN) (resid 37 and name HA) 3.063 1.172 1.172 weight 1.000 ! spec=HNH, no=3230, id=3009, vol=2.630000e+07
assign (resid 155 and name HN) (resid 37 and name HB1) 4.121 2.122 2.122 weight 1.000 ! spec=HNH, no=3231, id=3010, vol=4.420000e+06
assign (resid 155 and name HN) (resid 37 and name HD1) 3.965 1.966 1.966 weight 1.000 ! spec=HNH, no=3232, id=3011, vol=5.570000e+06
assign (resid 155 and name HN) (resid 61 and name HA) 4.036 2.036 2.036 weight 1.000 ! spec=HNH, no=3233, id=3012, vol=5.010000e+06
assign (resid 155 and name HN) (resid 61 and name HB2) 3.128 1.223 1.223 weight 1.000 ! spec=HNH, no=3234, id=3013, vol=2.310000e+07
    or (resid 155 and name HN) (resid 61 and name HB1)
    or (resid 155 and name HN) (resid 61 and name HB3)
assign (resid 155 and name HN) (resid 154 and name HN) 3.180 1.264 1.264 weight 1.000 ! spec=HNH, no=3235, id=3014, vol=2.100000e+07
assign (resid 155 and name HN) (resid 154 and name HA) 2.419 0.731 0.731 weight 1.000 ! spec=HNH, no=3236, id=3015, vol=1.080000e+08
assign (resid 155 and name HN) (resid 154 and name HB2) 3.123 1.219 1.219 weight 1.000 ! spec=HNH, no=3237, id=3016, vol=2.340000e+07
assign (resid 155 and name HN) (resid 154 and name HB1) 3.267 1.334 1.334 weight 1.000 ! spec=HNH, no=3238, id=3017, vol=1.780000e+07
assign (resid 155 and name HN) (resid 154 and name HG2) 2.493 0.777 0.777 weight 1.000 ! spec=HNH, no=3239, id=3018, vol=9.030000e+07
assign (resid 155 and name HN) (resid 154 and name HG1) 2.941 1.081 1.081 weight 1.000 ! spec=HNH, no=3240, id=3019, vol=3.340000e+07
assign (resid 155 and name HN) (resid 155 and name HA) 3.032 1.149 1.149 weight 1.000 ! spec=HNH, no=3242, id=3020, vol=2.790000e+07
assign (resid 156 and name HN) (resid 154 and name HG1) 3.799 1.804 1.804 weight 1.000 ! spec=HNH, no=3248, id=3026, vol=7.200000e+06
assign (resid 156 and name HN) (resid 156 and name HB2) 2.188 0.598 0.598 weight 1.000 ! spec=HNH, no=3249, id=3027, vol=1.970000e+08
    or (resid 156 and name HN) (resid 156 and name HB1)
    or (resid 156 and name HN) (resid 156 and name HB3)
assign (resid 156 and name HN) (resid 154 and name HE2) 4.088 2.089 2.089 weight 1.000 ! spec=HNH, no=3253, id=3031, vol=4.640000e+06
    or (resid 156 and name HN) (resid 154 and name HE1)
assign (resid 156 and name HN) (resid 35 and name HA) 3.769 1.776 1.776 weight 1.000 ! spec=HNH, no=3260, id=3038, vol=7.560000e+06
assign (resid 156 and name HN) (resid 35 and name HB2) 4.439 2.463 2.463 weight 1.000 ! spec=HNH, no=3261, id=3039, vol=2.830000e+06
assign (resid 156 and name HN) (resid 35 and name HB1) 4.262 2.270 2.270 weight 1.000 ! spec=HNH, no=3262, id=3040, vol=3.620000e+06
assign (resid 156 and name HN) (resid 154 and name HA) 4.211 2.217 2.217 weight 1.000 ! spec=HNH, no=3266, id=3044, vol=3.880000e+06
assign (resid 155 and name HN) (resid 156 and name HN) 3.595 1.615 1.615 weight 1.000 ! spec=HNH, no=3267, id=3045, vol=1.000000e+07
assign (resid 156 and name HN) (resid 155 and name HA) 2.259 0.638 0.638 weight 1.000 ! spec=HNH, no=3268, id=3046, vol=1.630000e+08
assign (resid 156 and name HN) (resid 155 and name HG21) 2.934 1.076 1.076 weight 1.000 ! spec=HNH, no=3270, id=3048, vol=3.400000e+07
    or (resid 156 and name HN) (resid 155 and name HG22)
    or (resid 156 and name HN) (resid 155 and name HG23)
assign (resid 156 and name HN) (resid 156 and name HA) 2.300 0.661 0.661 weight 1.000 ! spec=HNH, no=3272, id=3049, vol=1.460000e+08
assign (resid 36 and name HN) (resid 157 and name HN) 3.656 1.670 1.670 weight 1.000 ! spec=HNH, no=3273, id=3050, vol=9.080000e+06
assign (resid 157 and name HN) (resid 34 and name HB2) 3.542 1.568 1.568 weight 1.000 ! spec=HNH, no=3283, id=3060, vol=1.100000e+07
assign (resid 157 and name HN) (resid 35 and name HA) 2.829 1.000 1.000 weight 1.000 ! spec=HNH, no=3284, id=3061, vol=4.220000e+07
assign (resid 157 and name HN) (resid 35 and name HB2) 3.887 1.889 1.889 weight 1.000 ! spec=HNH, no=3285, id=3062, vol=6.280000e+06
assign (resid 157 and name HN) (resid 35 and name HB1) 3.412 1.455 1.455 weight 1.000 ! spec=HNH, no=3286, id=3063, vol=1.370000e+07
assign (resid 157 and name HN) (resid 156 and name HA) 2.307 0.665 0.665 weight 1.000 ! spec=HNH, no=3287, id=3064, vol=1.440000e+08
assign (resid 157 and name HN) (resid 156 and name HB2) 2.341 0.685 0.685 weight 1.000 ! spec=HNH, no=3288, id=3065, vol=1.320000e+08
    or (resid 157 and name HN) (resid 156 and name HB1)
    or (resid 157 and name HN) (resid 156 and name HB3)
assign (resid 157 and name HN) (resid 157 and name HA) 2.821 0.995 0.995 weight 1.000 ! spec=HNH, no=3290, id=3066, vol=4.300000e+07
assign (resid 157 and name HN) (resid 157 and name HG12) 2.864 1.025 1.025 weight 1.000 ! spec=HNH, no=3292, id=3068, vol=3.920000e+07
assign (resid 157 and name HN) (resid 157 and name HD12) 2.618 0.856 0.856 weight 1.000 ! spec=HNH, no=3293, id=3069, vol=6.730000e+07
    or (resid 157 and name HN) (resid 157 and name HD11)
    or (resid 157 and name HN) (resid 157 and name HD13)
assign (resid 157 and name HN) (resid 158 and name HD2) 3.651 1.666 1.666 weight 1.000 ! spec=HNH, no=3294, id=3070, vol=9.140000e+06
assign (resid 159 and name HN) (resid 159 and name HE1) 4.033 2.033 2.033 weight 1.000 ! spec=HNH, no=3297, id=3073, vol=5.040000e+06
    or (resid 159 and name HN) (resid 159 and name HE2)
assign (resid 159 and name HN) (resid 157 and name HA) 2.924 1.069 1.069 weight 1.000 ! spec=HNH, no=3300, id=3076, vol=3.470000e+07
assign (resid 159 and name HN) (resid 157 and name HG22) 2.946 1.085 1.085 weight 1.000 ! spec=HNH, no=3301, id=3077, vol=3.310000e+07
    or (resid 159 and name HN) (resid 157 and name HG21)
    or (resid 159 and name HN) (resid 157 and name HG23)
assign (resid 159 and name HN) (resid 158 and name HB1) 3.058 1.169 1.169 weight 1.000 ! spec=HNH, no=3304, id=3080, vol=2.650000e+07
assign (resid 159 and name HN) (resid 158 and name HD2) 3.634 1.651 1.651 weight 1.000 ! spec=HNH, no=3305, id=3081, vol=9.400000e+06
assign (resid 159 and name HN) (resid 158 and name HD1) 3.591 1.612 1.612 weight 1.000 ! spec=HNH, no=3306, id=3082, vol=1.010000e+07
assign (resid 159 and name HN) (resid 159 and name HA) 2.547 0.811 0.811 weight 1.000 ! spec=HNH, no=3308, id=3083, vol=7.940000e+07
assign (resid 159 and name HN) (resid 159 and name HB2) 2.341 0.685 0.685 weight 1.000 ! spec=HNH, no=3309, id=3084, vol=1.320000e+08
assign (resid 159 and name HN) (resid 160 and name HB2) 3.310 1.370 1.370 weight 1.000 ! spec=HNH, no=3311, id=3086, vol=1.650000e+07
assign (resid 160 and name HN) (resid 161 and name HN) 2.666 0.889 0.889 weight 1.000 ! spec=HNH, no=3314, id=3089, vol=6.030000e+07
assign (resid 160 and name HN) (resid 159 and name HB2) 2.882 1.038 1.038 weight 1.000 ! spec=HNH, no=3317, id=3092, vol=3.780000e+07
assign (resid 160 and name HN) (resid 160 and name HA) 2.864 1.026 1.026 weight 1.000 ! spec=HNH, no=3320, id=3094, vol=3.920000e+07
assign (resid 160 and name HN) (resid 160 and name HB2) 2.782 0.967 0.967 weight 1.000 ! spec=HNH, no=3321, id=3095, vol=4.680000e+07
assign (resid 160 and name HN) (resid 160 and name HB1) 3.046 1.160 1.160 weight 1.000 ! spec=HNH, no=3322, id=3096, vol=2.710000e+07
assign (resid 160 and name HN) (resid 160 and name HG2) 3.302 1.363 1.363 weight 1.000 ! spec=HNH, no=3324, id=3098, vol=1.670000e+07
assign (resid 161 and name HN) (resid 159 and name HB2) 4.172 2.176 2.176 weight 1.000 ! spec=HNH, no=3326, id=3100, vol=4.110000e+06
    or (resid 161 and name HN) (resid 159 and name HB1)
assign (resid 161 and name HN) (resid 160 and name HA) 2.383 0.710 0.710 weight 1.000 ! spec=HNH, no=3328, id=3102, vol=1.180000e+08
assign (resid 161 and name HN) (resid 160 and name HG2) 3.728 1.737 1.737 weight 1.000 ! spec=HNH, no=3329, id=3103, vol=8.070000e+06
assign (resid 161 and name HN) (resid 161 and name HB2) 2.977 1.108 1.108 weight 1.000 ! spec=HNH, no=3332, id=3105, vol=3.110000e+07
assign (resid 161 and name HN) (resid 161 and name HG2) 3.334 1.389 1.389 weight 1.000 ! spec=HNH, no=3334, id=3107, vol=1.580000e+07

! ambiguous distances
assign (resid 28 and name HG21) (resid 152 and name HD12) 3.200 1.280 1.280 weight 1.000 ! spec=HCH, no=151, id=3239, vol=1.190000e+07
    or (resid 28 and name HG21) (resid 152 and name HD11)
    or (resid 28 and name HG21) (resid 152 and name HD13)
    or (resid 28 and name HG22) (resid 152 and name HD12)
    or (resid 28 and name HG22) (resid 152 and name HD11)
    or (resid 28 and name HG22) (resid 152 and name HD13)
    or (resid 28 and name HG23) (resid 152 and name HD12)
    or (resid 28 and name HG23) (resid 152 and name HD11)
    or (resid 28 and name HG23) (resid 152 and name HD13)
    or (resid 28 and name HG21) (resid 30 and name HD12)
    or (resid 28 and name HG21) (resid 30 and name HD11)
    or (resid 28 and name HG21) (resid 30 and name HD13)
    or (resid 28 and name HG22) (resid 30 and name HD12)
    or (resid 28 and name HG22) (resid 30 and name HD11)
    or (resid 28 and name HG22) (resid 30 and name HD13)
    or (resid 28 and name HG23) (resid 30 and name HD12)
    or (resid 28 and name HG23) (resid 30 and name HD11)
    or (resid 28 and name HG23) (resid 30 and name HD13)
assign (resid 31 and name HA) (resid 29 and name HB2) 3.832 1.835 1.835 weight 1.000 ! spec=HCH, no=277, id=3359, vol=4.050000e+06
    or (resid 31 and name HA) (resid 29 and name HB1)
    or (resid 31 and name HA) (resid 37 and name HB1)
assign (resid 34 and name HB2) (resid 156 and name HB2) 3.700 1.712 1.712 weight 1.000 ! spec=HCH, no=383, id=3461, vol=4.990000e+06
    or (resid 34 and name HB2) (resid 156 and name HB1)
    or (resid 34 and name HB2) (resid 156 and name HB3)
    or (resid 34 and name HB2) (resid 157 and name HG11)
assign (resid 36 and name HB1) (resid 32 and name HB1) 4.126 2.128 2.128 weight 1.000 ! spec=HCH, no=477, id=3549, vol=2.600000e+06
    or (resid 36 and name HB1) (resid 153 and name HB2)
assign (resid 38 and name HD12) (resid 30 and name HB) 3.922 1.923 1.923 weight 1.000 ! spec=HCH, no=577, id=3642, vol=3.520000e+06
    or (resid 38 and name HD11) (resid 30 and name HB)
    or (resid 38 and name HD13) (resid 30 and name HB)
    or (resid 38 and name HD12) (resid 82 and name HG2)
    or (resid 38 and name HD11) (resid 82 and name HG2)
    or (resid 38 and name HD13) (resid 82 and name HG2)
assign (resid 40 and name HD12) (resid 55 and name HG1) 3.665 1.679 1.679 weight 1.000 ! spec=HCH, no=712, id=3772, vol=5.290000e+06
    or (resid 40 and name HD11) (resid 55 and name HG1)
    or (resid 40 and name HD13) (resid 55 and name HG1)
    or (resid 40 and name HD12) (resid 56 and name HB2)
    or (resid 40 and name HD11) (resid 56 and name HB2)
    or (resid 40 and name HD13) (resid 56 and name HB2)
assign (resid 40 and name HD12) (resid 59 and name HB2) 3.579 1.601 1.601 weight 1.000 ! spec=HCH, no=715, id=3775, vol=6.110000e+06
    or (resid 40 and name HD11) (resid 59 and name HB2)
    or (resid 40 and name HD13) (resid 59 and name HB2)
    or (resid 40 and name HD12) (resid 153 and name HB1)
    or (resid 40 and name HD11) (resid 153 and name HB1)
    or (resid 40 and name HD13) (resid 153 and name HB1)
assign (resid 40 and name HD12) (resid 59 and name HB1) 3.571 1.594 1.594 weight 1.000 ! spec=HCH, no=720, id=3780, vol=6.180000e+06
    or (resid 40 and name HD11) (resid 59 and name HB1)
    or (resid 40 and name HD13) (resid 59 and name HB1)
    or (resid 40 and name HD12) (resid 150 and name HA2)
    or (resid 40 and name HD11) (resid 150 and name HA2)
    or (resid 40 and name HD13) (resid 150 and name HA2)
assign (resid 55 and name HN) (resid 40 and name HD22) 2.947 1.085 1.085 weight 1.000 ! spec=HCH, no=749, id=3809, vol=1.960000e+07
    or (resid 55 and name HN) (resid 40 and name HD21)
    or (resid 55 and name HN) (resid 40 and name HD23)
    or (resid 40 and name HD22) (resid 59 and name HD2)
    or (resid 40 and name HD21) (resid 59 and name HD2)
    or (resid 40 and name HD23) (resid 59 and name HD2)
assign (resid 46 and name HG22) (resid 44 and name HB) 2.877 1.035 1.035 weight 1.000 ! spec=HCH, no=1048, id=4096, vol=2.260000e+07
    or (resid 46 and name HG21) (resid 44 and name HB)
    or (resid 46 and name HG23) (resid 44 and name HB)
    or (resid 45 and name HB1) (resid 46 and name HG22)
    or (resid 45 and name HB1) (resid 46 and name HG21)
    or (resid 45 and name HB1) (resid 46 and name HG23)
assign (resid 48 and name HB1) (resid 50 and name HG2) 3.535 1.562 1.562 weight 1.000 ! spec=HCH, no=1112, id=4158, vol=6.570000e+06
    or (resid 48 and name HB1) (resid 144 and name HG2)
    or (resid 48 and name HB1) (resid 144 and name HG1)
assign (resid 49 and name HB) (resid 46 and name HG12) 3.352 1.405 1.405 weight 1.000 ! spec=HCH, no=1149, id=4193, vol=9.030000e+06
    or (resid 49 and name HB) (resid 46 and name HG11)
    or (resid 49 and name HB) (resid 46 and name HG13)
    or (resid 49 and name HB) (resid 90 and name HD12)
    or (resid 49 and name HB) (resid 90 and name HD11)
    or (resid 49 and name HB) (resid 90 and name HD13)
assign (resid 49 and name HD12) (resid 105 and name HE1) 2.512 0.789 0.789 weight 1.000 ! spec=HCH, no=1177, id=4219, vol=5.100000e+07
    or (resid 49 and name HD12) (resid 105 and name HE2)
    or (resid 49 and name HD11) (resid 105 and name HE1)
    or (resid 49 and name HD11) (resid 105 and name HE2)
    or (resid 49 and name HD13) (resid 105 and name HE1)
    or (resid 49 and name HD13) (resid 105 and name HE2)
    or (resid 49 and name HD12) (resid 105 and name HZ)
    or (resid 49 and name HD11) (resid 105 and name HZ)
    or (resid 49 and name HD13) (resid 105 and name HZ)
assign (resid 49 and name HD12) (resid 144 and name HN) 3.075 1.182 1.182 weight 1.000 ! spec=HCH, no=1178, id=4220, vol=1.520000e+07
    or (resid 49 and name HD11) (resid 144 and name HN)
    or (resid 49 and name HD13) (resid 144 and name HN)
    or (resid 93 and name HN) (resid 49 and name HD12)
    or (resid 93 and name HN) (resid 49 and name HD11)
    or (resid 93 and name HN) (resid 49 and name HD13)
assign (resid 49 and name HG22) (resid 48 and name HN) 3.788 1.793 1.793 weight 1.000 ! spec=HCH, no=1231, id=4267, vol=4.340000e+06
    or (resid 49 and name HG21) (resid 48 and name HN)
    or (resid 49 and name HG23) (resid 48 and name HN)
    or (resid 49 and name HG22) (resid 145 and name HN)
    or (resid 49 and name HG21) (resid 145 and name HN)
    or (resid 49 and name HG23) (resid 145 and name HN)
assign (resid 49 and name HG22) (resid 105 and name HA) 3.579 1.601 1.601 weight 1.000 ! spec=HCH, no=1232, id=4268, vol=6.100000e+06
    or (resid 49 and name HG21) (resid 105 and name HA)
    or (resid 49 and name HG23) (resid 105 and name HA)
    or (resid 49 and name HG22) (resid 143 and name HA)
    or (resid 49 and name HG21) (resid 143 and name HA)
    or (resid 49 and name HG23) (resid 143 and name HA)
assign (resid 50 and name HA) (resid 52 and name HN) 3.305 1.365 1.365 weight 1.000 ! spec=HCH, no=1252, id=4288, vol=9.840000e+06
    or (resid 50 and name HA) (resid 105 and name HZ)
assign (resid 52 and name HN) (resid 50 and name HB2) 3.678 1.691 1.691 weight 1.000 ! spec=HCH, no=1269, id=4304, vol=5.180000e+06
    or (resid 50 and name HB2) (resid 105 and name HZ)
assign (resid 52 and name HG12) (resid 46 and name HA) 2.907 1.056 1.056 weight 1.000 ! spec=HCH, no=1348, id=4380, vol=2.130000e+07
    or (resid 52 and name HG11) (resid 46 and name HA)
    or (resid 52 and name HG13) (resid 46 and name HA)
    or (resid 52 and name HG12) (resid 51 and name HA)
    or (resid 52 and name HG11) (resid 51 and name HA)
    or (resid 52 and name HG13) (resid 51 and name HA)
assign (resid 52 and name HG22) (resid 46 and name HG12) 2.318 0.671 0.671 weight 1.000 ! spec=HCH, no=1382, id=4413, vol=8.280000e+07
    or (resid 52 and name HG22) (resid 46 and name HG11)
    or (resid 52 and name HG22) (resid 46 and name HG13)
    or (resid 52 and name HG21) (resid 46 and name HG12)
    or (resid 52 and name HG21) (resid 46 and name HG11)
    or (resid 52 and name HG21) (resid 46 and name HG13)
    or (resid 52 and name HG23) (resid 46 and name HG12)
    or (resid 52 and name HG23) (resid 46 and name HG11)
    or (resid 52 and name HG23) (resid 46 and name HG13)
    or (resid 52 and name HG22) (resid 90 and name HD12)
    or (resid 52 and name HG22) (resid 90 and name HD11)
    or (resid 52 and name HG22) (resid 90 and name HD13)
    or (resid 52 and name HG21) (resid 90 and name HD12)
    or (resid 52 and name HG21) (resid 90 and name HD11)
    or (resid 52 and name HG21) (resid 90 and name HD13)
    or (resid 52 and name HG23) (resid 90 and name HD12)
    or (resid 52 and name HG23) (resid 90 and name HD11)
    or (resid 52 and name HG23) (resid 90 and name HD13)
assign (resid 53 and name HB2) (resid 54 and name HA) 3.767 1.774 1.774 weight 1.000 ! spec=HCH, no=1394, id=4425, vol=4.490000e+06
    or (resid 53 and name HB2) (resid 63 and name HA)
assign (resid 54 and name HN) (resid 53 and name HG1) 3.130 1.224 1.224 weight 1.000 ! spec=HCH, no=1415, id=4445, vol=1.370000e+07
    or (resid 53 and name HN) (resid 53 and name HG1)
assign (resid 55 and name HB1) (resid 44 and name HG22) 3.715 1.725 1.725 weight 1.000 ! spec=HCH, no=1458, id=4486, vol=4.880000e+06
    or (resid 55 and name HB1) (resid 44 and name HG21)
    or (resid 55 and name HB1) (resid 44 and name HG23)
    or (resid 55 and name HB1) (resid 152 and name HD12)
    or (resid 55 and name HB1) (resid 152 and name HD11)
    or (resid 55 and name HB1) (resid 152 and name HD13)
assign (resid 57 and name HG21) (resid 53 and name HD1) 3.284 1.348 1.348 weight 1.000 ! spec=HCH, no=1546, id=4569, vol=1.020000e+07
    or (resid 57 and name HG22) (resid 53 and name HD1)
    or (resid 57 and name HG23) (resid 53 and name HD1)
    or (resid 57 and name HG21) (resid 63 and name HG1)
    or (resid 57 and name HG22) (resid 63 and name HG1)
    or (resid 57 and name HG23) (resid 63 and name HG1)
assign (resid 58 and name HB2) (resid 59 and name HA) 3.664 1.678 1.678 weight 1.000 ! spec=HCH, no=1567, id=4589, vol=5.300000e+06
    or (resid 58 and name HB2) (resid 54 and name HA)
assign (resid 56 and name HB2) (resid 62 and name HA) 2.478 0.768 0.768 weight 1.000 ! spec=HCH, no=1656, id=4674, vol=5.540000e+07
    or (resid 62 and name HA) (resid 62 and name HB2)
assign (resid 63 and name HB1) (resid 49 and name HD12) 3.827 1.831 1.831 weight 1.000 ! spec=HCH, no=1679, id=4689, vol=4.080000e+06
    or (resid 63 and name HB1) (resid 49 and name HD11)
    or (resid 63 and name HB1) (resid 49 and name HD13)
    or (resid 63 and name HB1) (resid 64 and name HG12)
assign (resid 93 and name HN) (resid 63 and name HE2) 2.365 0.699 0.699 weight 1.000 ! spec=HCH, no=1703, id=4711, vol=7.320000e+07
    or (resid 93 and name HN) (resid 63 and name HE1)
    or (resid 93 and name HN) (resid 63 and name HE3)
    or (resid 64 and name HN) (resid 63 and name HE2)
    or (resid 64 and name HN) (resid 63 and name HE1)
    or (resid 64 and name HN) (resid 63 and name HE3)
    or (resid 92 and name HN) (resid 63 and name HE2)
    or (resid 92 and name HN) (resid 63 and name HE1)
    or (resid 92 and name HN) (resid 63 and name HE3)
assign (resid 63 and name HB1) (resid 63 and name HE2) 1.917 0.460 0.460 weight 1.000 ! spec=HCH, no=1704, id=4712, vol=2.580000e+08
    or (resid 63 and name HB1) (resid 63 and name HE1)
    or (resid 63 and name HB1) (resid 63 and name HE3)
    or (resid 63 and name HE2) (resid 63 and name HG2)
    or (resid 63 and name HE1) (resid 63 and name HG2)
    or (resid 63 and name HE3) (resid 63 and name HG2)
assign (resid 64 and name HA) (resid 154 and name HE2) 3.357 1.409 1.409 weight 1.000 ! spec=HCH, no=1762, id=4768, vol=8.960000e+06
    or (resid 64 and name HA) (resid 154 and name HE1)
    or (resid 64 and name HA) (resid 153 and name HB1)
assign (resid 64 and name HD12) (resid 152 and name HN) 3.522 1.550 1.550 weight 1.000 ! spec=HCH, no=1793, id=4798, vol=6.720000e+06
    or (resid 64 and name HD11) (resid 152 and name HN)
    or (resid 64 and name HD13) (resid 152 and name HN)
    or (resid 64 and name HD12) (resid 153 and name HN)
    or (resid 64 and name HD11) (resid 153 and name HN)
    or (resid 64 and name HD13) (resid 153 and name HN)
assign (resid 64 and name HD12) (resid 64 and name HN) 2.918 1.065 1.065 weight 1.000 ! spec=HCH, no=1795, id=4800, vol=2.080000e+07
    or (resid 64 and name HD11) (resid 64 and name HN)
    or (resid 64 and name HD13) (resid 64 and name HN)
    or (resid 64 and name HD12) (resid 92 and name HN)
    or (resid 64 and name HD11) (resid 92 and name HN)
    or (resid 64 and name HD13) (resid 92 and name HN)
assign (resid 64 and name HG22) (resid 152 and name HB1) 2.092 0.547 0.547 weight 1.000 ! spec=HCH, no=1828, id=4832, vol=1.530000e+08
    or (resid 64 and name HG21) (resid 152 and name HB1)
    or (resid 64 and name HG23) (resid 152 and name HB1)
    or (resid 64 and name HG22) (resid 64 and name HB)
    or (resid 64 and name HG21) (resid 64 and name HB)
    or (resid 64 and name HG23) (resid 64 and name HB)
assign (resid 64 and name HG22) (resid 75 and name HG22) 2.571 0.826 0.826 weight 1.000 ! spec=HCH, no=1829, id=4833, vol=4.440000e+07
    or (resid 64 and name HG22) (resid 75 and name HG21)
    or (resid 64 and name HG22) (resid 75 and name HG23)
    or (resid 64 and name HG21) (resid 75 and name HG22)
    or (resid 64 and name HG21) (resid 75 and name HG21)
    or (resid 64 and name HG21) (resid 75 and name HG23)
    or (resid 64 and name HG23) (resid 75 and name HG22)
    or (resid 64 and name HG23) (resid 75 and name HG21)
    or (resid 64 and name HG23) (resid 75 and name HG23)
    or (resid 64 and name HG22) (resid 79 and name HD22)
    or (resid 64 and name HG22) (resid 79 and name HD21)
    or (resid 64 and name HG22) (resid 79 and name HD23)
    or (resid 64 and name HG21) (resid 79 and name HD22)
    or (resid 64 and name HG21) (resid 79 and name HD21)
    or (resid 64 and name HG21) (resid 79 and name HD23)
    or (resid 64 and name HG23) (resid 79 and name HD22)
    or (resid 64 and name HG23) (resid 79 and name HD21)
    or (resid 64 and name HG23) (resid 79 and name HD23)
assign (resid 64 and name HG22) (resid 37 and name HB2) 4.016 2.016 2.016 weight 1.000 ! spec=HCH, no=1845, id=4849, vol=3.060000e+06
    or (resid 64 and name HG21) (resid 37 and name HB2)
    or (resid 64 and name HG23) (resid 37 and name HB2)
    or (resid 64 and name HG22) (resid 65 and name HB2)
    or (resid 64 and name HG21) (resid 65 and name HB2)
    or (resid 64 and name HG23) (resid 65 and name HB2)
assign (resid 66 and name HB) (resid 104 and name HE1) 3.881 1.883 1.883 weight 1.000 ! spec=HCH, no=1915, id=4915, vol=3.750000e+06
    or (resid 138 and name HE1) (resid 66 and name HB)
assign (resid 66 and name HD12) (resid 68 and name HA) 3.961 1.961 1.961 weight 1.000 ! spec=HCH, no=1937, id=4936, vol=3.320000e+06
    or (resid 66 and name HD11) (resid 68 and name HA)
    or (resid 66 and name HD13) (resid 68 and name HA)
    or (resid 66 and name HD12) (resid 136 and name HA2)
    or (resid 66 and name HD11) (resid 136 and name HA2)
    or (resid 66 and name HD13) (resid 136 and name HA2)
assign (resid 72 and name HD22) (resid 66 and name HG22) 3.341 1.395 1.395 weight 1.000 ! spec=HCH, no=2014, id=5009, vol=9.220000e+06
    or (resid 72 and name HD22) (resid 66 and name HG21)
    or (resid 72 and name HD22) (resid 66 and name HG23)
    or (resid 66 and name HG22) (resid 113 and name HN)
    or (resid 66 and name HG21) (resid 113 and name HN)
    or (resid 66 and name HG23) (resid 113 and name HN)
assign (resid 65 and name HA) (resid 66 and name HG22) 3.071 1.179 1.179 weight 1.000 ! spec=HCH, no=2016, id=5011, vol=1.530000e+07
    or (resid 65 and name HA) (resid 66 and name HG21)
    or (resid 65 and name HA) (resid 66 and name HG23)
    or (resid 66 and name HG22) (resid 114 and name HN)
    or (resid 66 and name HG21) (resid 114 and name HN)
    or (resid 66 and name HG23) (resid 114 and name HN)
assign (resid 68 and name HA) (resid 70 and name HG1) 3.798 1.803 1.803 weight 1.000 ! spec=HCH, no=2067, id=5061, vol=4.270000e+06
    or (resid 68 and name HA) (resid 72 and name HB2)
assign (resid 68 and name HD22) (resid 68 and name HB2) 3.108 1.208 1.208 weight 1.000 ! spec=HCH, no=2079, id=5072, vol=1.420000e+07
    or (resid 68 and name HN) (resid 68 and name HB2)
assign (resid 70 and name HG1) (resid 73 and name HB2) 3.933 1.934 1.934 weight 1.000 ! spec=HCH, no=2192, id=5181, vol=3.460000e+06
    or (resid 70 and name HG1) (resid 73 and name HB1)
    or (resid 70 and name HG1) (resid 73 and name HB3)
    or (resid 70 and name HG1) (resid 33 and name HG1)
assign (resid 71 and name HA) (resid 74 and name HB2) 2.511 0.788 0.788 weight 1.000 ! spec=HCH, no=2210, id=5197, vol=5.120000e+07
    or (resid 71 and name HA) (resid 71 and name HG2)
assign (resid 71 and name HG2) (resid 75 and name HD12) 3.276 1.341 1.341 weight 1.000 ! spec=HCH, no=2225, id=5212, vol=1.040000e+07
    or (resid 71 and name HG2) (resid 75 and name HD11)
    or (resid 71 and name HG2) (resid 75 and name HD13)
    or (resid 71 and name HG2) (resid 66 and name HG12)
assign (resid 72 and name HA) (resid 66 and name HB) 2.830 1.001 1.001 weight 1.000 ! spec=HCH, no=2252, id=5238, vol=2.500000e+07
    or (resid 72 and name HA) (resid 75 and name HB)
assign (resid 73 and name HB2) (resid 32 and name HE1) 3.511 1.541 1.541 weight 1.000 ! spec=HCH, no=2319, id=5302, vol=6.850000e+06
    or (resid 73 and name HB2) (resid 32 and name HE2)
    or (resid 73 and name HB1) (resid 32 and name HE1)
    or (resid 73 and name HB1) (resid 32 and name HE2)
    or (resid 73 and name HB3) (resid 32 and name HE1)
    or (resid 73 and name HB3) (resid 32 and name HE2)
    or (resid 73 and name HB2) (resid 112 and name HE1)
    or (resid 73 and name HB2) (resid 112 and name HE2)
    or (resid 73 and name HB1) (resid 112 and name HE1)
    or (resid 73 and name HB1) (resid 112 and name HE2)
    or (resid 73 and name HB3) (resid 112 and name HE1)
    or (resid 73 and name HB3) (resid 112 and name HE2)
assign (resid 75 and name HD12) (resid 72 and name HN) 3.519 1.548 1.548 weight 1.000 ! spec=HCH, no=2400, id=5381, vol=6.750000e+06
    or (resid 75 and name HD11) (resid 72 and name HN)
    or (resid 75 and name HD13) (resid 72 and name HN)
    or (resid 75 and name HD12) (resid 78 and name HN)
    or (resid 75 and name HD11) (resid 78 and name HN)
    or (resid 75 and name HD13) (resid 78 and name HN)
assign (resid 75 and name HG22) (resid 131 and name HG) 2.733 0.934 0.934 weight 1.000 ! spec=HCH, no=2439, id=5417, vol=3.070000e+07
    or (resid 75 and name HG21) (resid 131 and name HG)
    or (resid 75 and name HG23) (resid 131 and name HG)
    or (resid 75 and name HG22) (resid 64 and name HG11)
    or (resid 75 and name HG21) (resid 64 and name HG11)
    or (resid 75 and name HG23) (resid 64 and name HG11)
assign (resid 75 and name HG22) (resid 79 and name HG) 2.541 0.807 0.807 weight 1.000 ! spec=HCH, no=2443, id=5421, vol=4.760000e+07
    or (resid 75 and name HG21) (resid 79 and name HG)
    or (resid 75 and name HG23) (resid 79 and name HG)
    or (resid 75 and name HG22) (resid 152 and name HB1)
    or (resid 75 and name HG21) (resid 152 and name HB1)
    or (resid 75 and name HG23) (resid 152 and name HB1)
assign (resid 76 and name HA) (resid 131 and name HG) 3.058 1.169 1.169 weight 1.000 ! spec=HCH, no=2465, id=5443, vol=1.570000e+07
    or (resid 76 and name HA) (resid 79 and name HB2)
assign (resid 76 and name HB1) (resid 133 and name HA) 3.610 1.629 1.629 weight 1.000 ! spec=HCH, no=2479, id=5456, vol=5.800000e+06
    or (resid 76 and name HB1) (resid 136 and name HA2)
assign (resid 76 and name HD12) (resid 131 and name HA) 3.317 1.376 1.376 weight 1.000 ! spec=HCH, no=2506, id=5479, vol=9.620000e+06
    or (resid 76 and name HD11) (resid 131 and name HA)
    or (resid 76 and name HD13) (resid 131 and name HA)
    or (resid 76 and name HD12) (resid 135 and name HA)
    or (resid 76 and name HD11) (resid 135 and name HA)
    or (resid 76 and name HD13) (resid 135 and name HA)
assign (resid 76 and name HD12) (resid 74 and name HB1) 3.530 1.557 1.557 weight 1.000 ! spec=HCH, no=2513, id=5485, vol=6.630000e+06
    or (resid 76 and name HD11) (resid 74 and name HB1)
    or (resid 76 and name HD13) (resid 74 and name HB1)
    or (resid 76 and name HD12) (resid 88 and name HB2)
    or (resid 76 and name HD12) (resid 88 and name HB1)
    or (resid 76 and name HD11) (resid 88 and name HB2)
    or (resid 76 and name HD11) (resid 88 and name HB1)
    or (resid 76 and name HD13) (resid 88 and name HB2)
    or (resid 76 and name HD13) (resid 88 and name HB1)
assign (resid 78 and name HA) (resid 81 and name HD2) 3.092 1.195 1.195 weight 1.000 ! spec=HCH, no=2620, id=5587, vol=1.470000e+07
    or (resid 78 and name HA) (resid 81 and name HD1)
    or (resid 78 and name HA) (resid 82 and name HB2)
assign (resid 78 and name HB) (resid 81 and name HB2) 3.634 1.651 1.651 weight 1.000 ! spec=HCH, no=2630, id=5596, vol=5.570000e+06
    or (resid 78 and name HB) (resid 82 and name HB1)
    or (resid 78 and name HB) (resid 79 and name HG)
assign (resid 78 and name HG21) (resid 81 and name HE2) 3.393 1.439 1.439 weight 1.000 ! spec=HCH, no=2637, id=5602, vol=8.410000e+06
    or (resid 78 and name HG21) (resid 81 and name HE1)
    or (resid 78 and name HG22) (resid 81 and name HE2)
    or (resid 78 and name HG22) (resid 81 and name HE1)
    or (resid 78 and name HG23) (resid 81 and name HE2)
    or (resid 78 and name HG23) (resid 81 and name HE1)
    or (resid 75 and name HA) (resid 78 and name HG21)
    or (resid 75 and name HA) (resid 78 and name HG22)
    or (resid 75 and name HA) (resid 78 and name HG23)
assign (resid 83 and name HN) (resid 78 and name HG21) 3.368 1.418 1.418 weight 1.000 ! spec=HCH, no=2648, id=5612, vol=8.790000e+06
    or (resid 83 and name HN) (resid 78 and name HG22)
    or (resid 83 and name HN) (resid 78 and name HG23)
    or (resid 82 and name HN) (resid 78 and name HG21)
    or (resid 82 and name HN) (resid 78 and name HG22)
    or (resid 82 and name HN) (resid 78 and name HG23)
assign (resid 79 and name HD12) (resid 83 and name HA) 3.269 1.336 1.336 weight 1.000 ! spec=HCH, no=2690, id=5653, vol=1.050000e+07
    or (resid 79 and name HD11) (resid 83 and name HA)
    or (resid 79 and name HD13) (resid 83 and name HA)
    or (resid 79 and name HD12) (resid 89 and name HA)
    or (resid 79 and name HD11) (resid 89 and name HA)
    or (resid 79 and name HD13) (resid 89 and name HA)
assign (resid 79 and name HD12) (resid 40 and name HN) 3.766 1.773 1.773 weight 1.000 ! spec=HCH, no=2696, id=5658, vol=4.490000e+06
    or (resid 79 and name HD11) (resid 40 and name HN)
    or (resid 79 and name HD13) (resid 40 and name HN)
    or (resid 79 and name HD12) (resid 152 and name HN)
    or (resid 79 and name HD11) (resid 152 and name HN)
    or (resid 79 and name HD13) (resid 152 and name HN)
assign (resid 79 and name HD22) (resid 80 and name HN) 3.402 1.447 1.447 weight 1.000 ! spec=HCH, no=2737, id=5699, vol=8.270000e+06
    or (resid 79 and name HD21) (resid 80 and name HN)
    or (resid 79 and name HD23) (resid 80 and name HN)
    or (resid 78 and name HN) (resid 79 and name HD22)
    or (resid 78 and name HN) (resid 79 and name HD21)
    or (resid 78 and name HN) (resid 79 and name HD23)
assign (resid 83 and name HB2) (resid 79 and name HB2) 3.468 1.504 1.504 weight 1.000 ! spec=HCH, no=2938, id=5889, vol=7.370000e+06
    or (resid 83 and name HB2) (resid 84 and name HG2)
    or (resid 83 and name HB2) (resid 84 and name HG1)
assign (resid 86 and name HD2) (resid 89 and name HD12) 3.195 1.276 1.276 weight 1.000 ! spec=HCH, no=3056, id=5998, vol=1.200000e+07
    or (resid 86 and name HD2) (resid 89 and name HD11)
    or (resid 86 and name HD2) (resid 89 and name HD13)
    or (resid 86 and name HD2) (resid 133 and name HD12)
    or (resid 86 and name HD2) (resid 133 and name HD11)
    or (resid 86 and name HD2) (resid 133 and name HD13)
assign (resid 86 and name HD1) (resid 89 and name HD12) 3.304 1.364 1.364 weight 1.000 ! spec=HCH, no=3057, id=5999, vol=9.860000e+06
    or (resid 86 and name HD1) (resid 89 and name HD11)
    or (resid 86 and name HD1) (resid 89 and name HD13)
    or (resid 86 and name HD1) (resid 133 and name HD12)
    or (resid 86 and name HD1) (resid 133 and name HD11)
    or (resid 86 and name HD1) (resid 133 and name HD13)
assign (resid 86 and name HG1) (resid 88 and name HN) 3.654 1.669 1.669 weight 1.000 ! spec=HCH, no=3089, id=6031, vol=5.380000e+06
    or (resid 86 and name HG1) (resid 85 and name HN)
assign (resid 86 and name HG1) (resid 84 and name HD2) 3.955 1.955 1.955 weight 1.000 ! spec=HCH, no=3093, id=6035, vol=3.350000e+06
    or (resid 86 and name HG1) (resid 84 and name HD1)
    or (resid 86 and name HG1) (resid 90 and name HB1)
assign (resid 89 and name HG22) (resid 86 and name HB1) 3.242 1.314 1.314 weight 1.000 ! spec=HCH, no=3232, id=6163, vol=1.100000e+07
    or (resid 89 and name HG21) (resid 86 and name HB1)
    or (resid 89 and name HG23) (resid 86 and name HB1)
    or (resid 89 and name HG22) (resid 88 and name HB2)
    or (resid 89 and name HG22) (resid 88 and name HB1)
    or (resid 89 and name HG21) (resid 88 and name HB2)
    or (resid 89 and name HG21) (resid 88 and name HB1)
    or (resid 89 and name HG23) (resid 88 and name HB2)
    or (resid 89 and name HG23) (resid 88 and name HB1)
assign (resid 90 and name HD22) (resid 49 and name HG11) 2.981 1.111 1.111 weight 1.000 ! spec=HCH, no=3367, id=6292, vol=1.830000e+07
    or (resid 90 and name HD21) (resid 49 and name HG11)
    or (resid 90 and name HD23) (resid 49 and name HG11)
    or (resid 90 and name HD22) (resid 93 and name HG2)
    or (resid 90 and name HD22) (resid 93 and name HG1)
    or (resid 90 and name HD21) (resid 93 and name HG2)
    or (resid 90 and name HD21) (resid 93 and name HG1)
    or (resid 90 and name HD23) (resid 93 and name HG2)
    or (resid 90 and name HD23) (resid 93 and name HG1)
assign (resid 91 and name HD22) (resid 115 and name HZ3) 3.326 1.382 1.382 weight 1.000 ! spec=HCH, no=3472, id=6386, vol=9.480000e+06
    or (resid 91 and name HD21) (resid 115 and name HZ3)
    or (resid 91 and name HD23) (resid 115 and name HZ3)
    or (resid 91 and name HD22) (resid 115 and name HZ2)
    or (resid 91 and name HD21) (resid 115 and name HZ2)
    or (resid 91 and name HD23) (resid 115 and name HZ2)
assign (resid 130 and name HN) (resid 91 and name HD22) 2.835 1.005 1.005 weight 1.000 ! spec=HCH, no=3503, id=6417, vol=2.470000e+07
    or (resid 130 and name HN) (resid 91 and name HD21)
    or (resid 130 and name HN) (resid 91 and name HD23)
    or (resid 131 and name HN) (resid 91 and name HD22)
    or (resid 131 and name HN) (resid 91 and name HD21)
    or (resid 131 and name HN) (resid 91 and name HD23)
assign (resid 64 and name HG22) (resid 92 and name HA1) 3.336 1.391 1.391 weight 1.000 ! spec=HCH, no=3551, id=6463, vol=9.310000e+06
    or (resid 64 and name HG21) (resid 92 and name HA1)
    or (resid 64 and name HG23) (resid 92 and name HA1)
    or (resid 92 and name HA1) (resid 91 and name HB2)
assign (resid 94 and name HB1) (resid 105 and name HZ) 3.224 1.299 1.299 weight 1.000 ! spec=HCH, no=3635, id=6541, vol=1.140000e+07
    or (resid 94 and name HB1) (resid 105 and name HE1)
    or (resid 94 and name HB1) (resid 105 and name HE2)
assign (resid 101 and name HB2) (resid 103 and name HG2) 3.432 1.472 1.472 weight 1.000 ! spec=HCH, no=3946, id=6829, vol=7.850000e+06
    or (resid 101 and name HB1) (resid 103 and name HG2)
assign (resid 113 and name HA) (resid 112 and name HE1) 3.402 1.446 1.446 weight 1.000 ! spec=HCH, no=4230, id=7096, vol=8.280000e+06
    or (resid 113 and name HA) (resid 112 and name HE2)
    or (resid 113 and name HA) (resid 115 and name HD1)
assign (resid 125 and name HB) (resid 142 and name HD21) 3.840 1.843 1.843 weight 1.000 ! spec=HCH, no=4684, id=7528, vol=4.000000e+06
    or (resid 127 and name HN) (resid 125 and name HB)
assign (resid 125 and name HG12) (resid 128 and name HA) 3.974 1.974 1.974 weight 1.000 ! spec=HCH, no=4701, id=7544, vol=3.250000e+06
    or (resid 125 and name HG11) (resid 128 and name HA)
    or (resid 125 and name HG13) (resid 128 and name HA)
    or (resid 125 and name HG12) (resid 142 and name HA)
    or (resid 125 and name HG11) (resid 142 and name HA)
    or (resid 125 and name HG13) (resid 142 and name HA)
assign (resid 125 and name HG22) (resid 128 and name HA) 3.865 1.868 1.868 weight 1.000 ! spec=HCH, no=4763, id=7600, vol=3.840000e+06
    or (resid 125 and name HG21) (resid 128 and name HA)
    or (resid 125 and name HG23) (resid 128 and name HA)
    or (resid 125 and name HG22) (resid 142 and name HA)
    or (resid 125 and name HG21) (resid 142 and name HA)
    or (resid 125 and name HG23) (resid 142 and name HA)
assign (resid 131 and name HD12) (resid 88 and name HB2) 3.212 1.290 1.290 weight 1.000 ! spec=HCH, no=4976, id=7801, vol=1.170000e+07
    or (resid 131 and name HD12) (resid 88 and name HB1)
    or (resid 131 and name HD11) (resid 88 and name HB2)
    or (resid 131 and name HD11) (resid 88 and name HB1)
    or (resid 131 and name HD13) (resid 88 and name HB2)
    or (resid 131 and name HD13) (resid 88 and name HB1)
    or (resid 131 and name HD12) (resid 138 and name HB2)
    or (resid 131 and name HD11) (resid 138 and name HB2)
    or (resid 131 and name HD13) (resid 138 and name HB2)
assign (resid 131 and name HD12) (resid 137 and name HG1) 3.267 1.334 1.334 weight 1.000 ! spec=HCH, no=4994, id=7816, vol=1.050000e+07
    or (resid 131 and name HD11) (resid 137 and name HG1)
    or (resid 131 and name HD13) (resid 137 and name HG1)
    or (resid 131 and name HD12) (resid 137 and name HB2)
    or (resid 131 and name HD11) (resid 137 and name HB2)
    or (resid 131 and name HD13) (resid 137 and name HB2)
assign (resid 131 and name HD22) (resid 88 and name HB2) 3.537 1.564 1.564 weight 1.000 ! spec=HCH, no=5028, id=7850, vol=6.540000e+06
    or (resid 131 and name HD22) (resid 88 and name HB1)
    or (resid 131 and name HD21) (resid 88 and name HB2)
    or (resid 131 and name HD21) (resid 88 and name HB1)
    or (resid 131 and name HD23) (resid 88 and name HB2)
    or (resid 131 and name HD23) (resid 88 and name HB1)
    or (resid 131 and name HD22) (resid 138 and name HB2)
    or (resid 131 and name HD21) (resid 138 and name HB2)
    or (resid 131 and name HD23) (resid 138 and name HB2)
assign (resid 131 and name HD22) (resid 91 and name HA) 3.567 1.591 1.591 weight 1.000 ! spec=HCH, no=5039, id=7860, vol=6.220000e+06
    or (resid 131 and name HD21) (resid 91 and name HA)
    or (resid 131 and name HD23) (resid 91 and name HA)
    or (resid 131 and name HD22) (resid 137 and name HA)
    or (resid 131 and name HD21) (resid 137 and name HA)
    or (resid 131 and name HD23) (resid 137 and name HA)
assign (resid 132 and name HA) (resid 131 and name HB1) 3.831 1.835 1.835 weight 1.000 ! spec=HCH, no=5081, id=7902, vol=4.050000e+06
    or (resid 132 and name HA) (resid 134 and name HB2)
    or (resid 132 and name HA) (resid 134 and name HB1)
assign (resid 134 and name HA) (resid 76 and name HG) 3.157 1.246 1.246 weight 1.000 ! spec=HCH, no=5195, id=8008, vol=1.300000e+07
    or (resid 134 and name HA) (resid 133 and name HB)
assign (resid 137 and name HB1) (resid 114 and name HE2) 3.704 1.715 1.715 weight 1.000 ! spec=HCH, no=5317, id=8122, vol=4.960000e+06
    or (resid 132 and name HB2) (resid 137 and name HB1)
assign (resid 138 and name HA) (resid 116 and name HG21) 3.386 1.433 1.433 weight 1.000 ! spec=HCH, no=5343, id=8148, vol=8.510000e+06
    or (resid 138 and name HA) (resid 116 and name HG22)
    or (resid 138 and name HA) (resid 116 and name HG23)
    or (resid 138 and name HA) (resid 131 and name HG)
assign (resid 138 and name HB1) (resid 91 and name HA) 3.875 1.877 1.877 weight 1.000 ! spec=HCH, no=5364, id=8168, vol=3.780000e+06
    or (resid 138 and name HB1) (resid 137 and name HA)
assign (resid 140 and name HB1) (resid 124 and name HD22) 3.273 1.339 1.339 weight 1.000 ! spec=HCH, no=5477, id=8279, vol=1.040000e+07
    or (resid 140 and name HB1) (resid 124 and name HD21)
    or (resid 140 and name HB1) (resid 124 and name HD23)
    or (resid 140 and name HB1) (resid 124 and name HD12)
    or (resid 140 and name HB1) (resid 124 and name HD11)
    or (resid 140 and name HB1) (resid 124 and name HD13)
assign (resid 142 and name HA) (resid 90 and name HD22) 3.292 1.354 1.354 weight 1.000 ! spec=HCH, no=5564, id=8363, vol=1.010000e+07
    or (resid 142 and name HA) (resid 90 and name HD21)
    or (resid 142 and name HA) (resid 90 and name HD23)
    or (resid 124 and name HD22) (resid 142 and name HA)
    or (resid 124 and name HD21) (resid 142 and name HA)
    or (resid 124 and name HD23) (resid 142 and name HA)
assign (resid 49 and name HG22) (resid 143 and name HB2) 3.407 1.451 1.451 weight 1.000 ! spec=HCH, no=5594, id=8390, vol=8.190000e+06
    or (resid 49 and name HG21) (resid 143 and name HB2)
    or (resid 49 and name HG23) (resid 143 and name HB2)
    or (resid 49 and name HD12) (resid 143 and name HB2)
    or (resid 49 and name HD11) (resid 143 and name HB2)
    or (resid 49 and name HD13) (resid 143 and name HB2)
assign (resid 150 and name HA2) (resid 41 and name HB1) 3.222 1.298 1.298 weight 1.000 ! spec=HCH, no=5858, id=8638, vol=1.150000e+07
    or (resid 41 and name HG1) (resid 150 and name HA2)
assign (resid 150 and name HA1) (resid 41 and name HB1) 3.284 1.348 1.348 weight 1.000 ! spec=HCH, no=5860, id=8640, vol=1.020000e+07
    or (resid 41 and name HG1) (resid 150 and name HA1)
assign (resid 151 and name HG21) (resid 56 and name HB1) 3.439 1.479 1.479 weight 1.000 ! spec=HCH, no=5896, id=8673, vol=7.750000e+06
    or (resid 151 and name HG22) (resid 56 and name HB1)
    or (resid 151 and name HG23) (resid 56 and name HB1)
    or (resid 151 and name HG21) (resid 153 and name HB1)
    or (resid 151 and name HG22) (resid 153 and name HB1)
    or (resid 151 and name HG23) (resid 153 and name HB1)
assign (resid 151 and name HG21) (resid 152 and name HA) 3.299 1.361 1.361 weight 1.000 ! spec=HCH, no=5914, id=8691, vol=9.940000e+06
    or (resid 151 and name HG22) (resid 152 and name HA)
    or (resid 151 and name HG23) (resid 152 and name HA)
    or (resid 64 and name HG22) (resid 152 and name HA)
    or (resid 64 and name HG21) (resid 152 and name HA)
    or (resid 64 and name HG23) (resid 152 and name HA)
assign (resid 152 and name HD12) (resid 74 and name HD1) 4.049 2.049 2.049 weight 1.000 ! spec=HCH, no=5958, id=8733, vol=2.910000e+06
    or (resid 152 and name HD12) (resid 74 and name HD2)
    or (resid 152 and name HD11) (resid 74 and name HD1)
    or (resid 152 and name HD11) (resid 74 and name HD2)
    or (resid 152 and name HD13) (resid 74 and name HD1)
    or (resid 152 and name HD13) (resid 74 and name HD2)
    or (resid 152 and name HD12) (resid 74 and name HE2)
    or (resid 152 and name HD11) (resid 74 and name HE2)
    or (resid 152 and name HD13) (resid 74 and name HE2)
assign (resid 64 and name HN) (resid 152 and name HD12) 3.512 1.542 1.542 weight 1.000 ! spec=HCH, no=5964, id=8739, vol=6.830000e+06
    or (resid 64 and name HN) (resid 152 and name HD11)
    or (resid 64 and name HN) (resid 152 and name HD13)
    or (resid 152 and name HD12) (resid 79 and name HN)
    or (resid 152 and name HD11) (resid 79 and name HN)
    or (resid 152 and name HD13) (resid 79 and name HN)
assign (resid 64 and name HN) (resid 152 and name HD22) 3.375 1.424 1.424 weight 1.000 ! spec=HCH, no=6002, id=8777, vol=8.670000e+06
    or (resid 64 and name HN) (resid 152 and name HD21)
    or (resid 64 and name HN) (resid 152 and name HD23)
    or (resid 152 and name HD22) (resid 79 and name HN)
    or (resid 152 and name HD21) (resid 79 and name HN)
    or (resid 152 and name HD23) (resid 79 and name HN)
assign (resid 64 and name HG22) (resid 153 and name HA) 3.226 1.301 1.301 weight 1.000 ! spec=HCH, no=6048, id=8820, vol=1.140000e+07
    or (resid 64 and name HG21) (resid 153 and name HA)
    or (resid 64 and name HG23) (resid 153 and name HA)
    or (resid 151 and name HG21) (resid 153 and name HA)
    or (resid 151 and name HG22) (resid 153 and name HA)
    or (resid 151 and name HG23) (resid 153 and name HA)
assign (resid 153 and name HA) (resid 64 and name HB) 3.398 1.443 1.443 weight 1.000 ! spec=HCH, no=6056, id=8828, vol=8.330000e+06
    or (resid 153 and name HA) (resid 152 and name HB1)
assign (resid 157 and name HB) (resid 157 and name HG22) 2.288 0.654 0.654 weight 1.000 ! spec=HCH, no=6248, id=9012, vol=8.950000e+07
    or (resid 157 and name HB) (resid 157 and name HG21)
    or (resid 157 and name HB) (resid 157 and name HG23)
    or (resid 157 and name HB) (resid 157 and name HD12)
    or (resid 157 and name HB) (resid 157 and name HD11)
    or (resid 157 and name HB) (resid 157 and name HD13)
assign (resid 32 and name HN) (resid 157 and name HD12) 3.510 1.540 1.540 weight 1.000 ! spec=HCH, no=6257, id=9020, vol=6.860000e+06
    or (resid 32 and name HN) (resid 157 and name HD11)
    or (resid 32 and name HN) (resid 157 and name HD13)
    or (resid 157 and name HD12) (resid 36 and name HN)
    or (resid 157 and name HD11) (resid 36 and name HN)
    or (resid 157 and name HD13) (resid 36 and name HN)
assign (resid 158 and name HA) (resid 157 and name HG22) 3.546 1.572 1.572 weight 1.000 ! spec=HCH, no=6321, id=9082, vol=6.450000e+06
    or (resid 158 and name HA) (resid 157 and name HG21)
    or (resid 158 and name HA) (resid 157 and name HG23)
    or (resid 158 and name HA) (resid 157 and name HD12)
    or (resid 158 and name HA) (resid 157 and name HD11)
    or (resid 158 and name HA) (resid 157 and name HD13)
assign (resid 29 and name HD1) (resid 24 and name HB2) 3.357 1.409 1.409 weight 1.000 ! spec=HCHaro, no=10, id=9211, vol=4.750000e+06
    or (resid 29 and name HD1) (resid 24 and name HB1)
assign (resid 29 and name HZ2) (resid 82 and name HE21) 2.937 1.078 1.078 weight 1.000 ! spec=HCHaro, no=46, id=9243, vol=1.060000e+07
    or (resid 29 and name HZ2) (resid 31 and name HE21)
    or (resid 29 and name HZ2) (resid 52 and name HN)
assign (resid 29 and name HZ2) (resid 25 and name HG1) 2.882 1.038 1.038 weight 1.000 ! spec=HCHaro, no=47, id=9244, vol=1.190000e+07
    or (resid 61 and name HB2) (resid 29 and name HZ2)
    or (resid 61 and name HB1) (resid 29 and name HZ2)
    or (resid 61 and name HB3) (resid 29 and name HZ2)
assign (resid 37 and name HD1) (resid 29 and name HZ3) 3.252 1.322 1.322 weight 1.000 ! spec=HCHaro, no=133, id=9327, vol=5.750000e+06
    or (resid 32 and name HD1) (resid 37 and name HD1)
    or (resid 37 and name HD1) (resid 32 and name HD2)
assign (resid 59 and name HE1) (resid 59 and name HD2) 3.281 1.345 1.345 weight 1.000 ! spec=HCHaro, no=215, id=9406, vol=5.460000e+06
    or (resid 59 and name HE1) (resid 59 and name HN)
assign (resid 59 and name HE1) (resid 42 and name HG2) 3.661 1.675 1.675 weight 1.000 ! spec=HCHaro, no=220, id=9411, vol=2.830000e+06
    or (resid 59 and name HE1) (resid 42 and name HG1)
    or (resid 59 and name HE1) (resid 55 and name HB2)
assign (resid 74 and name HD1) (resid 72 and name HN) 3.773 1.779 1.779 weight 1.000 ! spec=HCHaro, no=253, id=9441, vol=2.360000e+06
    or (resid 78 and name HN) (resid 74 and name HD1)
assign (resid 74 and name HE2) (resid 37 and name HB1) 3.563 1.587 1.587 weight 1.000 ! spec=HCHaro, no=281, id=9468, vol=3.330000e+06
    or (resid 74 and name HE2) (resid 78 and name HB)
assign (resid 83 and name HD1) (resid 82 and name HB1) 3.451 1.489 1.489 weight 1.000 ! spec=HCHaro, no=324, id=9508, vol=4.030000e+06
    or (resid 83 and name HD1) (resid 30 and name HG11)
assign (resid 30 and name HB) (resid 83 and name HZ2) 2.826 0.998 0.998 weight 1.000 ! spec=HCHaro, no=372, id=9552, vol=1.340000e+07
    or (resid 83 and name HZ2) (resid 82 and name HG2)
assign (resid 93 and name HB2) (resid 94 and name HD1) 3.052 1.164 1.164 weight 1.000 ! spec=HCHaro, no=407, id=9585, vol=8.420000e+06
    or (resid 94 and name HD1) (resid 103 and name HB1)
assign (resid 96 and name HB1) (resid 95 and name HD1) 3.280 1.344 1.344 weight 1.000 ! spec=HCHaro, no=458, id=9632, vol=5.470000e+06
    or (resid 95 and name HD1) (resid 102 and name HB1)
assign (resid 102 and name HD1) (resid 49 and name HG22) 3.509 1.539 1.539 weight 1.000 ! spec=HCHaro, no=506, id=9675, vol=3.650000e+06
    or (resid 102 and name HD1) (resid 49 and name HG21)
    or (resid 102 and name HD1) (resid 49 and name HG23)
    or (resid 102 and name HD1) (resid 49 and name HD12)
    or (resid 102 and name HD1) (resid 49 and name HD11)
    or (resid 102 and name HD1) (resid 49 and name HD13)
assign (resid 104 and name HZ2) (resid 65 and name HA) 3.381 1.429 1.429 weight 1.000 ! spec=HCHaro, no=603, id=9766, vol=4.560000e+06
    or (resid 104 and name HZ2) (resid 110 and name HG1)
assign (resid 138 and name HE1) (resid 112 and name HD1) 3.659 1.674 1.674 weight 1.000 ! spec=HCHaro, no=664, id=9823, vol=2.840000e+06
    or (resid 112 and name HD1) (resid 104 and name HE1)
assign (resid 115 and name HH2) (resid 115 and name HZ3) 2.019 0.509 0.509 weight 1.000 ! spec=HCHaro, no=723, id=9880, vol=1.010000e+08
    or (resid 115 and name HH2) (resid 115 and name HZ2)
assign (resid 138 and name HD1) (resid 137 and name HB2) 3.402 1.447 1.447 weight 1.000 ! spec=HCHaro, no=845, id=9996, vol=4.390000e+06
    or (resid 138 and name HD1) (resid 137 and name HG1)
assign (resid 138 and name HD1) (resid 114 and name HN) 3.430 1.470 1.470 weight 1.000 ! spec=HCHaro, no=855, id=10005, vol=4.180000e+06
    or (resid 138 and name HD1) (resid 132 and name HB2)
assign (resid 159 and name HD1) (resid 157 and name HG11) 3.378 1.426 1.426 weight 1.000 ! spec=HCHaro, no=946, id=10089, vol=4.580000e+06
    or (resid 159 and name HD1) (resid 160 and name HG2)
    or (resid 159 and name HD1) (resid 160 and name HG1)
assign (resid 29 and name HE1) (resid 26 and name HB2) 3.504 1.535 1.535 weight 1.000 ! spec=HNH, no=78, id=72, vol=1.170000e+07
    or (resid 29 and name HE1) (resid 28 and name HB)
assign (resid 31 and name HN) (resid 31 and name HE21) 4.125 2.126 2.126 weight 1.000 ! spec=HNH, no=133, id=125, vol=4.400000e+06
    or (resid 31 and name HN) (resid 82 and name HE21)
assign (resid 31 and name HN) (resid 29 and name HB2) 4.167 2.170 2.170 weight 1.000 ! spec=HNH, no=136, id=127, vol=4.140000e+06
    or (resid 31 and name HN) (resid 29 and name HB1)
    or (resid 31 and name HN) (resid 37 and name HB1)
assign (resid 31 and name HN) (resid 29 and name HE3) 4.429 2.452 2.452 weight 1.000 ! spec=HNH, no=144, id=135, vol=2.870000e+06
    or (resid 31 and name HN) (resid 31 and name HE22)
assign (resid 31 and name HE22) (resid 23 and name HA) 3.501 1.532 1.532 weight 1.000 ! spec=HNH, no=168, id=157, vol=1.180000e+07
    or (resid 31 and name HE22) (resid 34 and name HA)
assign (resid 32 and name HN) (resid 34 and name HB2) 4.306 2.318 2.318 weight 1.000 ! spec=HNH, no=205, id=188, vol=3.400000e+06
    or (resid 32 and name HN) (resid 34 and name HB1)
    or (resid 32 and name HN) (resid 36 and name HB2)
assign (resid 32 and name HN) (resid 75 and name HA) 4.123 2.125 2.125 weight 1.000 ! spec=HNH, no=208, id=190, vol=4.410000e+06
    or (resid 32 and name HN) (resid 81 and name HE2)
    or (resid 32 and name HN) (resid 81 and name HE1)
assign (resid 32 and name HN) (resid 154 and name HG1) 4.071 2.071 2.071 weight 1.000 ! spec=HNH, no=210, id=192, vol=4.760000e+06
    or (resid 32 and name HN) (resid 33 and name HG2)
assign (resid 33 and name HN) (resid 31 and name HG2) 3.337 1.392 1.392 weight 1.000 ! spec=HNH, no=230, id=211, vol=1.570000e+07
    or (resid 33 and name HN) (resid 32 and name HB1)
assign (resid 36 and name HN) (resid 156 and name HB2) 3.510 1.540 1.540 weight 1.000 ! spec=HNH, no=333, id=310, vol=1.160000e+07
    or (resid 36 and name HN) (resid 156 and name HB1)
    or (resid 36 and name HN) (resid 156 and name HB3)
    or (resid 36 and name HN) (resid 157 and name HG11)
assign (resid 37 and name HN) (resid 30 and name HD12) 3.650 1.665 1.665 weight 1.000 ! spec=HNH, no=359, id=333, vol=9.170000e+06
    or (resid 37 and name HN) (resid 30 and name HD11)
    or (resid 37 and name HN) (resid 30 and name HD13)
    or (resid 37 and name HN) (resid 152 and name HD12)
    or (resid 37 and name HN) (resid 152 and name HD11)
    or (resid 37 and name HN) (resid 152 and name HD13)
assign (resid 38 and name HN) (resid 39 and name HN) 3.445 1.484 1.484 weight 1.000 ! spec=HNH, no=394, id=365, vol=1.300000e+07
    or (resid 38 and name HN) (resid 83 and name HH2)
assign (resid 39 and name HN) (resid 30 and name HB) 3.750 1.757 1.757 weight 1.000 ! spec=HNH, no=412, id=382, vol=7.790000e+06
    or (resid 39 and name HN) (resid 41 and name HG1)
assign (resid 40 and name HN) (resid 40 and name HB2) 2.437 0.742 0.742 weight 1.000 ! spec=HNH, no=425, id=393, vol=1.030000e+08
    or (resid 40 and name HN) (resid 40 and name HG)
assign (resid 41 and name HE21) (resid 80 and name HG1) 4.126 2.128 2.128 weight 1.000 ! spec=HNH, no=462, id=429, vol=4.390000e+06
    or (resid 41 and name HE21) (resid 152 and name HG)
assign (resid 41 and name HE21) (resid 86 and name HB2) 3.835 1.839 1.839 weight 1.000 ! spec=HNH, no=463, id=430, vol=6.810000e+06
    or (resid 41 and name HE21) (resid 39 and name HB2)
assign (resid 41 and name HE22) (resid 86 and name HB2) 4.035 2.035 2.035 weight 1.000 ! spec=HNH, no=476, id=443, vol=5.020000e+06
    or (resid 41 and name HE22) (resid 39 and name HB2)
assign (resid 43 and name HN) (resid 42 and name HG2) 3.047 1.161 1.161 weight 1.000 ! spec=HNH, no=512, id=476, vol=2.710000e+07
    or (resid 43 and name HN) (resid 42 and name HG1)
    or (resid 43 and name HN) (resid 149 and name HB1)
assign (resid 45 and name HN) (resid 47 and name HG2) 3.903 1.904 1.904 weight 1.000 ! spec=HNH, no=544, id=506, vol=6.130000e+06
    or (resid 45 and name HN) (resid 47 and name HG1)
    or (resid 45 and name HN) (resid 148 and name HB)
assign (resid 48 and name HN) (resid 45 and name HG1) 3.945 1.945 1.945 weight 1.000 ! spec=HNH, no=608, id=567, vol=5.750000e+06
    or (resid 48 and name HN) (resid 53 and name HG1)
assign (resid 53 and name HE) (resid 56 and name HB2) 3.823 1.827 1.827 weight 1.000 ! spec=HNH, no=752, id=702, vol=6.930000e+06
    or (resid 53 and name HE) (resid 62 and name HB2)
assign (resid 55 and name HE21) (resid 45 and name HN) 4.061 2.062 2.062 weight 1.000 ! spec=HNH, no=841, id=785, vol=4.830000e+06
    or (resid 55 and name HE21) (resid 54 and name HN)
assign (resid 64 and name HN) (resid 152 and name HD22) 3.389 1.436 1.436 weight 1.000 ! spec=HNH, no=1056, id=988, vol=1.430000e+07
    or (resid 64 and name HN) (resid 152 and name HD21)
    or (resid 64 and name HN) (resid 152 and name HD23)
    or (resid 64 and name HN) (resid 152 and name HD12)
    or (resid 64 and name HN) (resid 152 and name HD11)
    or (resid 64 and name HN) (resid 152 and name HD13)
assign (resid 65 and name HN) (resid 37 and name HD1) 4.366 2.383 2.383 weight 1.000 ! spec=HNH, no=1075, id=1006, vol=3.130000e+06
    or (resid 65 and name HN) (resid 37 and name HD2)
    or (resid 65 and name HN) (resid 67 and name HD2)
assign (resid 66 and name HN) (resid 67 and name HB2) 3.733 1.742 1.742 weight 1.000 ! spec=HNH, no=1099, id=1028, vol=8.010000e+06
    or (resid 66 and name HN) (resid 154 and name HE2)
    or (resid 66 and name HN) (resid 154 and name HE1)
assign (resid 68 and name HD21) (resid 69 and name HN) 3.592 1.612 1.612 weight 1.000 ! spec=HNH, no=1156, id=1082, vol=1.010000e+07
    or (resid 68 and name HD21) (resid 70 and name HN)
assign (resid 71 and name HN) (resid 73 and name HB2) 3.534 1.561 1.561 weight 1.000 ! spec=HNH, no=1206, id=1129, vol=1.110000e+07
    or (resid 71 and name HN) (resid 73 and name HB1)
    or (resid 71 and name HN) (resid 73 and name HB3)
    or (resid 71 and name HN) (resid 33 and name HG1)
assign (resid 72 and name HD21) (resid 69 and name HG2) 4.191 2.195 2.195 weight 1.000 ! spec=HNH, no=1255, id=1175, vol=4.000000e+06
    or (resid 72 and name HD21) (resid 74 and name HB2)
assign (resid 73 and name HN) (resid 76 and name HD22) 3.506 1.536 1.536 weight 1.000 ! spec=HNH, no=1318, id=1236, vol=1.170000e+07
    or (resid 73 and name HN) (resid 76 and name HD21)
    or (resid 73 and name HN) (resid 76 and name HD23)
    or (resid 73 and name HN) (resid 131 and name HD12)
    or (resid 73 and name HN) (resid 131 and name HD11)
    or (resid 73 and name HN) (resid 131 and name HD13)
assign (resid 73 and name HN) (resid 68 and name HN) 3.859 1.861 1.861 weight 1.000 ! spec=HNH, no=1319, id=1237, vol=6.560000e+06
    or (resid 73 and name HN) (resid 112 and name HD1)
    or (resid 73 and name HN) (resid 112 and name HD2)
assign (resid 72 and name HN) (resid 75 and name HN) 3.444 1.482 1.482 weight 1.000 ! spec=HNH, no=1364, id=1279, vol=1.300000e+07
    or (resid 75 and name HN) (resid 78 and name HN)
assign (resid 75 and name HN) (resid 37 and name HE1) 3.673 1.687 1.687 weight 1.000 ! spec=HNH, no=1367, id=1282, vol=8.820000e+06
    or (resid 75 and name HN) (resid 37 and name HE2)
    or (resid 75 and name HN) (resid 32 and name HE1)
    or (resid 75 and name HN) (resid 32 and name HE2)
assign (resid 77 and name HN) (resid 79 and name HB2) 3.836 1.839 1.839 weight 1.000 ! spec=HNH, no=1424, id=1335, vol=6.800000e+06
    or (resid 77 and name HN) (resid 80 and name HG2)
    or (resid 77 and name HN) (resid 131 and name HG)
assign (resid 77 and name HN) (resid 79 and name HD22) 3.422 1.464 1.464 weight 1.000 ! spec=HNH, no=1426, id=1337, vol=1.350000e+07
    or (resid 77 and name HN) (resid 79 and name HD21)
    or (resid 77 and name HN) (resid 79 and name HD23)
    or (resid 77 and name HN) (resid 131 and name HD22)
    or (resid 77 and name HN) (resid 131 and name HD21)
    or (resid 77 and name HN) (resid 131 and name HD23)
assign (resid 78 and name HN) (resid 74 and name HD1) 3.904 1.905 1.905 weight 1.000 ! spec=HNH, no=1446, id=1356, vol=6.120000e+06
    or (resid 78 and name HN) (resid 74 and name HD2)
    or (resid 78 and name HN) (resid 74 and name HE2)
assign (resid 83 and name HN) (resid 79 and name HB2) 3.655 1.670 1.670 weight 1.000 ! spec=HNH, no=1575, id=1477, vol=9.090000e+06
    or (resid 83 and name HN) (resid 84 and name HG2)
    or (resid 83 and name HN) (resid 84 and name HG1)
assign (resid 83 and name HE1) (resid 83 and name HZ3) 3.833 1.836 1.836 weight 1.000 ! spec=HNH, no=1619, id=1514, vol=6.840000e+06
    or (resid 83 and name HE1) (resid 39 and name HD1)
    or (resid 83 and name HE1) (resid 39 and name HD2)
assign (resid 83 and name HE1) (resid 82 and name HA) 4.043 2.043 2.043 weight 1.000 ! spec=HNH, no=1621, id=1516, vol=4.960000e+06
    or (resid 83 and name HE1) (resid 28 and name HA)
assign (resid 94 and name HN) (resid 94 and name HZ) 3.952 1.952 1.952 weight 1.000 ! spec=HNH, no=1845, id=1723, vol=5.690000e+06
    or (resid 94 and name HN) (resid 105 and name HE1)
    or (resid 94 and name HN) (resid 105 and name HE2)
    or (resid 94 and name HN) (resid 105 and name HZ)
assign (resid 96 and name HN) (resid 102 and name HN) 3.183 1.266 1.266 weight 1.000 ! spec=HNH, no=1891, id=1766, vol=2.080000e+07
    or (resid 96 and name HN) (resid 103 and name HN)
assign (resid 96 and name HN) (resid 95 and name HB1) 3.017 1.138 1.138 weight 1.000 ! spec=HNH, no=1898, id=1773, vol=2.870000e+07
    or (resid 96 and name HN) (resid 103 and name HE2)
assign (resid 96 and name HN) (resid 97 and name HB) 3.956 1.956 1.956 weight 1.000 ! spec=HNH, no=1900, id=1775, vol=5.650000e+06
    or (resid 96 and name HN) (resid 103 and name HA)
assign (resid 103 and name HN) (resid 93 and name HG2) 3.261 1.330 1.330 weight 1.000 ! spec=HNH, no=2023, id=1890, vol=1.800000e+07
    or (resid 103 and name HN) (resid 93 and name HG1)
    or (resid 103 and name HN) (resid 103 and name HD1)
assign (resid 105 and name HN) (resid 63 and name HB1) 3.782 1.788 1.788 weight 1.000 ! spec=HNH, no=2086, id=1949, vol=7.400000e+06
    or (resid 105 and name HN) (resid 106 and name HB2)
assign (resid 106 and name HN) (resid 93 and name HB2) 3.987 1.987 1.987 weight 1.000 ! spec=HNH, no=2106, id=1968, vol=5.390000e+06
    or (resid 106 and name HN) (resid 93 and name HE2)
    or (resid 106 and name HN) (resid 93 and name HE1)
    or (resid 106 and name HN) (resid 93 and name HE3)
assign (resid 115 and name HE1) (resid 115 and name HB1) 3.424 1.465 1.465 weight 1.000 ! spec=HNH, no=2275, id=2124, vol=1.340000e+07
    or (resid 115 and name HE1) (resid 113 and name HA)
assign (resid 118 and name HE22) (resid 118 and name HA) 3.998 1.998 1.998 weight 1.000 ! spec=HNH, no=2346, id=2189, vol=5.310000e+06
    or (resid 118 and name HE22) (resid 141 and name HA1)
assign (resid 130 and name HN) (resid 91 and name HB1) 3.542 1.569 1.569 weight 1.000 ! spec=HNH, no=2549, id=2379, vol=1.100000e+07
    or (resid 130 and name HN) (resid 139 and name HG1)
assign (resid 131 and name HN) (resid 133 and name HA) 4.505 2.537 2.537 weight 1.000 ! spec=HNH, no=2581, id=2408, vol=2.590000e+06
    or (resid 131 and name HN) (resid 136 and name HA2)
assign (resid 131 and name HN) (resid 91 and name HG) 2.861 1.023 1.023 weight 1.000 ! spec=HNH, no=2589, id=2414, vol=3.950000e+07
    or (resid 131 and name HN) (resid 131 and name HG)
assign (resid 132 and name HN) (resid 130 and name HA) 4.119 2.121 2.121 weight 1.000 ! spec=HNH, no=2617, id=2441, vol=4.440000e+06
    or (resid 132 and name HN) (resid 139 and name HA)
assign (resid 137 and name HN) (resid 131 and name HG) 3.073 1.181 1.181 weight 1.000 ! spec=HNH, no=2763, id=2577, vol=2.570000e+07
    or (resid 137 and name HN) (resid 135 and name HG21)
    or (resid 137 and name HN) (resid 135 and name HG22)
    or (resid 137 and name HN) (resid 135 and name HG23)
assign (resid 138 and name HN) (resid 114 and name HE2) 3.408 1.452 1.452 weight 1.000 ! spec=HNH, no=2783, id=2596, vol=1.380000e+07
    or (resid 114 and name HN) (resid 138 and name HN)
assign (resid 138 and name HN) (resid 115 and name HB2) 3.609 1.628 1.628 weight 1.000 ! spec=HNH, no=2784, id=2597, vol=9.810000e+06
    or (resid 138 and name HN) (resid 114 and name HE1)
assign (resid 138 and name HE1) (resid 137 and name HB2) 4.089 2.090 2.090 weight 1.000 ! spec=HNH, no=2817, id=2629, vol=4.630000e+06
    or (resid 138 and name HE1) (resid 137 and name HG2)
assign (resid 140 and name HN) (resid 115 and name HE3) 3.333 1.388 1.388 weight 1.000 ! spec=HNH, no=2881, id=2690, vol=1.580000e+07
    or (resid 118 and name HE21) (resid 140 and name HN)
assign (resid 142 and name HD21) (resid 49 and name HB) 3.688 1.700 1.700 weight 1.000 ! spec=HNH, no=2957, id=2759, vol=8.610000e+06
    or (resid 142 and name HD21) (resid 144 and name HB1)
assign (resid 152 and name HN) (resid 64 and name HA) 3.776 1.783 1.783 weight 1.000 ! spec=HNH, no=3138, id=2926, vol=7.470000e+06
    or (resid 152 and name HN) (resid 150 and name HA2)
assign (resid 152 and name HN) (resid 152 and name HD22) 2.965 1.099 1.099 weight 1.000 ! spec=HNH, no=3141, id=2929, vol=3.190000e+07
    or (resid 152 and name HN) (resid 152 and name HD21)
    or (resid 152 and name HN) (resid 152 and name HD23)
    or (resid 152 and name HN) (resid 152 and name HD12)
    or (resid 152 and name HN) (resid 152 and name HD11)
    or (resid 152 and name HN) (resid 152 and name HD13)
assign (resid 155 and name HN) (resid 153 and name HB1) 3.392 1.438 1.438 weight 1.000 ! spec=HNH, no=3214, id=2997, vol=1.420000e+07
    or (resid 155 and name HN) (resid 154 and name HE2)
    or (resid 155 and name HN) (resid 154 and name HE1)

! Phi/Psi torsion restrains derived by TALOS-N
! 1. c 24 Phi -69.29 +/- 28.81 (-98.10 to -40.48)

assign (resid 23 and name C) (resid 24 and name N)
       (resid 24 and name CA) (resid 24 and name C) 1.0 -69.29 28.81 2

! 2. P 25 Phi -61.70 +/- 20.00 (-81.70 to -41.70)

assign (resid 24 and name C) (resid 25 and name N)
       (resid 25 and name CA) (resid 25 and name C) 1.0 -61.70 20.00 2

! 3. S 26 Phi -151.56 +/- 24.77 (-176.34 to -126.79)

assign (resid 25 and name C) (resid 26 and name N)
       (resid 26 and name CA) (resid 26 and name C) 1.0 -151.56 24.77 2

! 4. S 27 Phi -70.32 +/- 30.00 (-100.32 to -40.32)

assign (resid 26 and name C) (resid 27 and name N)
       (resid 27 and name CA) (resid 27 and name C) 1.0 -70.32 30.00 2

! 5. T 28 Phi -91.39 +/- 24.30 (-115.69 to -67.09)

assign (resid 27 and name C) (resid 28 and name N)
       (resid 28 and name CA) (resid 28 and name C) 1.0 -91.39 24.30 2

! 6. W 29 Phi -87.91 +/- 52.82 (-140.73 to -35.09)

assign (resid 28 and name C) (resid 29 and name N)
       (resid 29 and name CA) (resid 29 and name C) 1.0 -87.91 52.82 2

! 7. I 30 Phi -120.04 +/- 23.33 (-143.36 to -96.71)

assign (resid 29 and name C) (resid 30 and name N)
       (resid 30 and name CA) (resid 30 and name C) 1.0 -120.04 23.33 2

! 8. Q 31 Phi -104.34 +/- 24.67 (-129.02 to -79.67)

assign (resid 30 and name C) (resid 31 and name N)
       (resid 31 and name CA) (resid 31 and name C) 1.0 -104.34 24.67 2

! 9. F 32 Phi -140.12 +/- 42.25 (-182.37 to -97.87)

assign (resid 31 and name C) (resid 32 and name N)
       (resid 32 and name CA) (resid 32 and name C) 1.0 -140.12 42.25 2

! 10. S 35 Phi -134.60 +/- 28.34 (-162.95 to -106.26)

assign (resid 34 and name C) (resid 35 and name N)
       (resid 35 and name CA) (resid 35 and name C) 1.0 -134.60 28.34 2

! 11. c 36 Phi -143.50 +/- 24.60 (-168.10 to -118.90)

assign (resid 35 and name C) (resid 36 and name N)
       (resid 36 and name CA) (resid 36 and name C) 1.0 -143.50 24.60 2

! 12. Y 37 Phi -124.83 +/- 20.00 (-144.83 to -104.83)

assign (resid 36 and name C) (resid 37 and name N)
       (resid 37 and name CA) (resid 37 and name C) 1.0 -124.83 20.00 2

! 13. I 38 Phi -127.85 +/- 21.41 (-149.26 to -106.43)

assign (resid 37 and name C) (resid 38 and name N)
       (resid 38 and name CA) (resid 38 and name C) 1.0 -127.85 21.41 2

! 14. F 39 Phi -106.56 +/- 20.00 (-126.56 to -86.56)

assign (resid 38 and name C) (resid 39 and name N)
       (resid 39 and name CA) (resid 39 and name C) 1.0 -106.56 20.00 2

! 15. L 40 Phi -101.99 +/- 20.00 (-121.99 to -81.99)

assign (resid 39 and name C) (resid 40 and name N)
       (resid 40 and name CA) (resid 40 and name C) 1.0 -101.99 20.00 2

! 16. Q 41 Phi -79.95 +/- 28.62 (-108.58 to -51.33)

assign (resid 40 and name C) (resid 41 and name N)
       (resid 41 and name CA) (resid 41 and name C) 1.0 -79.95 28.62 2

! 17. E 42 Phi -78.61 +/- 34.47 (-113.08 to -44.14)

assign (resid 41 and name C) (resid 42 and name N)
       (resid 42 and name CA) (resid 42 and name C) 1.0 -78.61 34.47 2

! 18. A 43 Phi -72.49 +/- 20.00 (-92.49 to -52.49)

assign (resid 42 and name C) (resid 43 and name N)
       (resid 43 and name CA) (resid 43 and name C) 1.0 -72.49 20.00 2

! 19. I 44 Phi -121.93 +/- 24.59 (-146.51 to -97.34)

assign (resid 43 and name C) (resid 44 and name N)
       (resid 44 and name CA) (resid 44 and name C) 1.0 -121.93 24.59 2

! 20. K 45 Phi -76.89 +/- 20.00 (-96.89 to -56.89)

assign (resid 44 and name C) (resid 45 and name N)
       (resid 45 and name CA) (resid 45 and name C) 1.0 -76.89 20.00 2

! 21. V 46 Phi -124.29 +/- 27.55 (-151.83 to -96.74)

assign (resid 45 and name C) (resid 46 and name N)
       (resid 46 and name CA) (resid 46 and name C) 1.0 -124.29 27.55 2

! 22. E 47 Phi -107.94 +/- 46.46 (-154.40 to -61.48)

assign (resid 46 and name C) (resid 47 and name N)
       (resid 47 and name CA) (resid 47 and name C) 1.0 -107.94 46.46 2

! 23. S 48 Phi -141.60 +/- 37.56 (-179.16 to -104.04)

assign (resid 47 and name C) (resid 48 and name N)
       (resid 48 and name CA) (resid 48 and name C) 1.0 -141.60 37.56 2

! 24. I 49 Phi -64.73 +/- 20.00 (-84.73 to -44.73)

assign (resid 48 and name C) (resid 49 and name N)
       (resid 49 and name CA) (resid 49 and name C) 1.0 -64.73 20.00 2

! 25. E 50 Phi -62.79 +/- 20.00 (-82.79 to -42.79)

assign (resid 49 and name C) (resid 50 and name N)
       (resid 50 and name CA) (resid 50 and name C) 1.0 -62.79 20.00 2

! 26. D 51 Phi -65.25 +/- 20.00 (-85.25 to -45.25)

assign (resid 50 and name C) (resid 51 and name N)
       (resid 51 and name CA) (resid 51 and name C) 1.0 -65.25 20.00 2

! 27. V 52 Phi -66.89 +/- 20.00 (-86.89 to -46.89)

assign (resid 51 and name C) (resid 52 and name N)
       (resid 52 and name CA) (resid 52 and name C) 1.0 -66.89 20.00 2

! 28. R 53 Phi -63.39 +/- 20.00 (-83.39 to -43.39)

assign (resid 52 and name C) (resid 53 and name N)
       (resid 53 and name CA) (resid 53 and name C) 1.0 -63.39 20.00 2

! 29. N 54 Phi -66.38 +/- 20.00 (-86.38 to -46.38)

assign (resid 53 and name C) (resid 54 and name N)
       (resid 54 and name CA) (resid 54 and name C) 1.0 -66.38 20.00 2

! 30. Q 55 Phi -67.09 +/- 20.00 (-87.09 to -47.09)

assign (resid 54 and name C) (resid 55 and name N)
       (resid 55 and name CA) (resid 55 and name C) 1.0 -67.09 20.00 2

! 31. c 56 Phi -66.24 +/- 20.00 (-86.24 to -46.24)

assign (resid 55 and name C) (resid 56 and name N)
       (resid 56 and name CA) (resid 56 and name C) 1.0 -66.24 20.00 2

! 32. T 57 Phi -64.23 +/- 20.00 (-84.23 to -44.23)

assign (resid 56 and name C) (resid 57 and name N)
       (resid 57 and name CA) (resid 57 and name C) 1.0 -64.23 20.00 2

! 33. D 58 Phi -65.74 +/- 20.00 (-85.74 to -45.74)

assign (resid 57 and name C) (resid 58 and name N)
       (resid 58 and name CA) (resid 58 and name C) 1.0 -65.74 20.00 2

! 34. H 59 Phi -97.37 +/- 20.00 (-117.37 to -77.37)

assign (resid 58 and name C) (resid 59 and name N)
       (resid 59 and name CA) (resid 59 and name C) 1.0 -97.37 20.00 2

! 35. G 60 Phi 71.38 +/- 20.00 (51.38 to 91.38)

assign (resid 59 and name C) (resid 60 and name N)
       (resid 60 and name CA) (resid 60 and name C) 1.0 71.38 20.00 2

! 36. A 61 Phi -126.60 +/- 27.95 (-154.55 to -98.65)

assign (resid 60 and name C) (resid 61 and name N)
       (resid 61 and name CA) (resid 61 and name C) 1.0 -126.60 27.95 2

! 37. D 62 Phi -117.81 +/- 40.07 (-157.89 to -77.74)

assign (resid 61 and name C) (resid 62 and name N)
       (resid 62 and name CA) (resid 62 and name C) 1.0 -117.81 40.07 2

! 38. M 63 Phi -89.02 +/- 44.46 (-133.48 to -44.55)

assign (resid 62 and name C) (resid 63 and name N)
       (resid 63 and name CA) (resid 63 and name C) 1.0 -89.02 44.46 2

! 39. I 66 Phi -123.61 +/- 22.81 (-146.42 to -100.80)

assign (resid 65 and name C) (resid 66 and name N)
       (resid 66 and name CA) (resid 66 and name C) 1.0 -123.61 22.81 2

! 40. H 67 Phi -105.59 +/- 37.20 (-142.78 to -68.39)

assign (resid 66 and name C) (resid 67 and name N)
       (resid 67 and name CA) (resid 67 and name C) 1.0 -105.59 37.20 2

! 41. N 68 Phi -158.81 +/- 20.00 (-178.81 to -138.81)

assign (resid 67 and name C) (resid 68 and name N)
       (resid 68 and name CA) (resid 68 and name C) 1.0 -158.81 20.00 2

! 42. E 69 Phi -67.23 +/- 20.00 (-87.23 to -47.23)

assign (resid 68 and name C) (resid 69 and name N)
       (resid 69 and name CA) (resid 69 and name C) 1.0 -67.23 20.00 2

! 43. E 70 Phi -62.68 +/- 20.00 (-82.68 to -42.68)

assign (resid 69 and name C) (resid 70 and name N)
       (resid 70 and name CA) (resid 70 and name C) 1.0 -62.68 20.00 2

! 44. E 71 Phi -66.19 +/- 20.00 (-86.19 to -46.19)

assign (resid 70 and name C) (resid 71 and name N)
       (resid 71 and name CA) (resid 71 and name C) 1.0 -66.19 20.00 2

! 45. N 72 Phi -63.23 +/- 20.00 (-83.23 to -43.23)

assign (resid 71 and name C) (resid 72 and name N)
       (resid 72 and name CA) (resid 72 and name C) 1.0 -63.23 20.00 2

! 46. A 73 Phi -64.53 +/- 20.00 (-84.53 to -44.53)

assign (resid 72 and name C) (resid 73 and name N)
       (resid 73 and name CA) (resid 73 and name C) 1.0 -64.53 20.00 2

! 47. F 74 Phi -66.03 +/- 20.00 (-86.03 to -46.03)

assign (resid 73 and name C) (resid 74 and name N)
       (resid 74 and name CA) (resid 74 and name C) 1.0 -66.03 20.00 2

! 48. I 75 Phi -62.59 +/- 20.00 (-82.59 to -42.59)

assign (resid 74 and name C) (resid 75 and name N)
       (resid 75 and name CA) (resid 75 and name C) 1.0 -62.59 20.00 2

! 49. L 76 Phi -64.17 +/- 20.00 (-84.17 to -44.17)

assign (resid 75 and name C) (resid 76 and name N)
       (resid 76 and name CA) (resid 76 and name C) 1.0 -64.17 20.00 2

! 50. D 77 Phi -65.39 +/- 20.00 (-85.39 to -45.39)

assign (resid 76 and name C) (resid 77 and name N)
       (resid 77 and name CA) (resid 77 and name C) 1.0 -65.39 20.00 2

! 51. T 78 Phi -64.01 +/- 20.00 (-84.01 to -44.01)

assign (resid 77 and name C) (resid 78 and name N)
       (resid 78 and name CA) (resid 78 and name C) 1.0 -64.01 20.00 2

! 52. L 79 Phi -65.14 +/- 20.00 (-85.14 to -45.14)

assign (resid 78 and name C) (resid 79 and name N)
       (resid 79 and name CA) (resid 79 and name C) 1.0 -65.14 20.00 2

! 53. K 80 Phi -64.34 +/- 20.00 (-84.34 to -44.34)

assign (resid 79 and name C) (resid 80 and name N)
       (resid 80 and name CA) (resid 80 and name C) 1.0 -64.34 20.00 2

! 54. K 81 Phi -72.26 +/- 20.00 (-92.26 to -52.26)

assign (resid 80 and name C) (resid 81 and name N)
       (resid 81 and name CA) (resid 81 and name C) 1.0 -72.26 20.00 2

! 55. Q 82 Phi -79.33 +/- 20.00 (-99.33 to -59.33)

assign (resid 81 and name C) (resid 82 and name N)
       (resid 82 and name CA) (resid 82 and name C) 1.0 -79.33 20.00 2

! 56. P 86 Phi -67.29 +/- 20.00 (-87.29 to -47.29)

assign (resid 85 and name C) (resid 86 and name N)
       (resid 86 and name CA) (resid 86 and name C) 1.0 -67.29 20.00 2

! 57. D 87 Phi -79.40 +/- 20.00 (-99.40 to -59.40)

assign (resid 86 and name C) (resid 87 and name N)
       (resid 87 and name CA) (resid 87 and name C) 1.0 -79.40 20.00 2

! 58. D 88 Phi -138.89 +/- 29.36 (-168.25 to -109.53)

assign (resid 87 and name C) (resid 88 and name N)
       (resid 88 and name CA) (resid 88 and name C) 1.0 -138.89 29.36 2

! 59. I 89 Phi -125.13 +/- 20.00 (-145.13 to -105.13)

assign (resid 88 and name C) (resid 89 and name N)
       (resid 89 and name CA) (resid 89 and name C) 1.0 -125.13 20.00 2

! 60. L 90 Phi -87.50 +/- 34.95 (-122.45 to -52.56)

assign (resid 89 and name C) (resid 90 and name N)
       (resid 90 and name CA) (resid 90 and name C) 1.0 -87.50 34.95 2

! 61. L 91 Phi -121.72 +/- 35.43 (-157.15 to -86.28)

assign (resid 90 and name C) (resid 91 and name N)
       (resid 91 and name CA) (resid 91 and name C) 1.0 -121.72 35.43 2

! 62. M 93 Phi -138.11 +/- 24.92 (-163.04 to -113.19)

assign (resid 92 and name C) (resid 93 and name N)
       (resid 93 and name CA) (resid 93 and name C) 1.0 -138.11 24.92 2

! 63. F 94 Phi -127.47 +/- 34.61 (-162.08 to -92.86)

assign (resid 93 and name C) (resid 94 and name N)
       (resid 94 and name CA) (resid 94 and name C) 1.0 -127.47 34.61 2

! 64. Y 95 Phi -94.99 +/- 34.70 (-129.69 to -60.29)

assign (resid 94 and name C) (resid 95 and name N)
       (resid 95 and name CA) (resid 95 and name C) 1.0 -94.99 34.70 2

! 65. D 96 Phi -99.35 +/- 20.00 (-119.35 to -79.35)

assign (resid 95 and name C) (resid 96 and name N)
       (resid 96 and name CA) (resid 96 and name C) 1.0 -99.35 20.00 2

! 66. T 97 Phi -67.08 +/- 20.00 (-87.08 to -47.08)

assign (resid 96 and name C) (resid 97 and name N)
       (resid 97 and name CA) (resid 97 and name C) 1.0 -67.08 20.00 2

! 67. D 98 Phi -68.65 +/- 20.00 (-88.65 to -48.65)

assign (resid 97 and name C) (resid 98 and name N)
       (resid 98 and name CA) (resid 98 and name C) 1.0 -68.65 20.00 2

! 68. D 99 Phi -100.15 +/- 24.00 (-124.15 to -76.15)

assign (resid 98 and name C) (resid 99 and name N)
       (resid 99 and name CA) (resid 99 and name C) 1.0 -100.15 24.00 2

! 69. A 100 Phi 52.94 +/- 30.00 (22.94 to 82.94)

assign (resid 99 and name C) (resid 100 and name N)
       (resid 100 and name CA) (resid 100 and name C) 1.0 52.94 30.00 2

! 70. S 101 Phi -143.02 +/- 29.23 (-172.25 to -113.79)

assign (resid 100 and name C) (resid 101 and name N)
       (resid 101 and name CA) (resid 101 and name C) 1.0 -143.02 29.23 2

! 71. F 102 Phi -77.67 +/- 27.00 (-104.67 to -50.67)

assign (resid 101 and name C) (resid 102 and name N)
       (resid 102 and name CA) (resid 102 and name C) 1.0 -77.67 27.00 2

! 72. K 103 Phi -136.22 +/- 25.52 (-161.74 to -110.71)

assign (resid 102 and name C) (resid 103 and name N)
       (resid 103 and name CA) (resid 103 and name C) 1.0 -136.22 25.52 2

! 73. W 104 Phi -85.81 +/- 23.50 (-109.32 to -62.31)

assign (resid 103 and name C) (resid 104 and name N)
       (resid 104 and name CA) (resid 104 and name C) 1.0 -85.81 23.50 2

! 74. F 105 Phi -57.21 +/- 20.00 (-77.21 to -37.21)

assign (resid 104 and name C) (resid 105 and name N)
       (resid 105 and name CA) (resid 105 and name C) 1.0 -57.21 20.00 2

! 75. D 106 Phi -86.75 +/- 20.00 (-106.75 to -66.75)

assign (resid 105 and name C) (resid 106 and name N)
       (resid 106 and name CA) (resid 106 and name C) 1.0 -86.75 20.00 2

! 76. S 108 Phi -83.36 +/- 35.35 (-118.71 to -48.01)

assign (resid 107 and name C) (resid 108 and name N)
       (resid 108 and name CA) (resid 108 and name C) 1.0 -83.36 35.35 2

! 77. N 109 Phi -77.06 +/- 21.84 (-98.90 to -55.22)

assign (resid 108 and name C) (resid 109 and name N)
       (resid 109 and name CA) (resid 109 and name C) 1.0 -77.06 21.84 2

! 78. M 110 Phi -97.12 +/- 26.16 (-123.28 to -70.95)

assign (resid 109 and name C) (resid 110 and name N)
       (resid 110 and name CA) (resid 110 and name C) 1.0 -97.12 26.16 2

! 79. F 112 Phi -125.06 +/- 31.66 (-156.72 to -93.40)

assign (resid 111 and name C) (resid 112 and name N)
       (resid 112 and name CA) (resid 112 and name C) 1.0 -125.06 31.66 2

! 80. D 113 Phi -143.85 +/- 25.81 (-169.66 to -118.05)

assign (resid 112 and name C) (resid 113 and name N)
       (resid 113 and name CA) (resid 113 and name C) 1.0 -143.85 25.81 2

! 81. K 114 Phi -104.86 +/- 62.92 (-167.78 to -41.93)

assign (resid 113 and name C) (resid 114 and name N)
       (resid 114 and name CA) (resid 114 and name C) 1.0 -104.86 62.92 2

! 82. W 115 Phi -70.97 +/- 22.69 (-93.66 to -48.29)

assign (resid 114 and name C) (resid 115 and name N)
       (resid 115 and name CA) (resid 115 and name C) 1.0 -70.97 22.69 2

! 83. T 116 Phi -99.39 +/- 85.68 (-185.07 to -13.71)

assign (resid 115 and name C) (resid 116 and name N)
       (resid 116 and name CA) (resid 116 and name C) 1.0 -99.39 85.68 2

! 84. D 117 Phi -68.03 +/- 20.00 (-88.03 to -48.03)

assign (resid 116 and name C) (resid 117 and name N)
       (resid 117 and name CA) (resid 117 and name C) 1.0 -68.03 20.00 2

! 85. Q 118 Phi -76.24 +/- 49.68 (-125.92 to -26.56)

assign (resid 117 and name C) (resid 118 and name N)
       (resid 118 and name CA) (resid 118 and name C) 1.0 -76.24 49.68 2

! 86. D 119 Phi -66.11 +/- 20.00 (-86.11 to -46.11)

assign (resid 118 and name C) (resid 119 and name N)
       (resid 119 and name CA) (resid 119 and name C) 1.0 -66.11 20.00 2

! 87. D 123 Phi -71.45 +/- 35.05 (-106.50 to -36.40)

assign (resid 122 and name C) (resid 123 and name N)
       (resid 123 and name CA) (resid 123 and name C) 1.0 -71.45 35.05 2

! 88. D 126 Phi -97.62 +/- 37.70 (-135.32 to -59.92)

assign (resid 125 and name C) (resid 126 and name N)
       (resid 126 and name CA) (resid 126 and name C) 1.0 -97.62 37.70 2

! 89. T 127 Phi -83.25 +/- 44.54 (-127.78 to -38.71)

assign (resid 126 and name C) (resid 127 and name N)
       (resid 127 and name CA) (resid 127 and name C) 1.0 -83.25 44.54 2

! 90. A 129 Phi -135.66 +/- 20.00 (-155.66 to -115.66)

assign (resid 128 and name C) (resid 129 and name N)
       (resid 129 and name CA) (resid 129 and name C) 1.0 -135.66 20.00 2

! 91. F 130 Phi -120.58 +/- 20.27 (-140.85 to -100.31)

assign (resid 129 and name C) (resid 130 and name N)
       (resid 130 and name CA) (resid 130 and name C) 1.0 -120.58 20.27 2

! 92. L 131 Phi -106.73 +/- 28.69 (-135.42 to -78.04)

assign (resid 130 and name C) (resid 131 and name N)
       (resid 131 and name CA) (resid 131 and name C) 1.0 -106.73 28.69 2

! 93. H 132 Phi -94.86 +/- 20.00 (-114.86 to -74.86)

assign (resid 131 and name C) (resid 132 and name N)
       (resid 132 and name CA) (resid 132 and name C) 1.0 -94.86 20.00 2

! 94. I 133 Phi -63.75 +/- 20.00 (-83.75 to -43.75)

assign (resid 132 and name C) (resid 133 and name N)
       (resid 133 and name CA) (resid 133 and name C) 1.0 -63.75 20.00 2

! 95. K 134 Phi -71.57 +/- 20.00 (-91.57 to -51.57)

assign (resid 133 and name C) (resid 134 and name N)
       (resid 134 and name CA) (resid 134 and name C) 1.0 -71.57 20.00 2

! 96. T 135 Phi -117.10 +/- 20.00 (-137.10 to -97.10)

assign (resid 134 and name C) (resid 135 and name N)
       (resid 135 and name CA) (resid 135 and name C) 1.0 -117.10 20.00 2

! 97. G 136 Phi 77.56 +/- 20.00 (57.56 to 97.56)

assign (resid 135 and name C) (resid 136 and name N)
       (resid 136 and name CA) (resid 136 and name C) 1.0 77.56 20.00 2

! 98. E 137 Phi -105.02 +/- 54.52 (-159.54 to -50.50)

assign (resid 136 and name C) (resid 137 and name N)
       (resid 137 and name CA) (resid 137 and name C) 1.0 -105.02 54.52 2

! 99. W 138 Phi -111.30 +/- 20.00 (-131.30 to -91.30)

assign (resid 137 and name C) (resid 138 and name N)
       (resid 138 and name CA) (resid 138 and name C) 1.0 -111.30 20.00 2

! 100. K 139 Phi -134.11 +/- 20.00 (-154.11 to -114.11)

assign (resid 138 and name C) (resid 139 and name N)
       (resid 139 and name CA) (resid 139 and name C) 1.0 -134.11 20.00 2

! 101. K 140 Phi -96.19 +/- 30.31 (-126.49 to -65.88)

assign (resid 139 and name C) (resid 140 and name N)
       (resid 140 and name CA) (resid 140 and name C) 1.0 -96.19 30.31 2

! 102. G 141 Phi -153.76 +/- 62.47 (-216.23 to -91.29)

assign (resid 140 and name C) (resid 141 and name N)
       (resid 141 and name CA) (resid 141 and name C) 1.0 -153.76 62.47 2

! 103. S 146 Phi -68.68 +/- 20.00 (-88.68 to -48.68)

assign (resid 145 and name C) (resid 146 and name N)
       (resid 146 and name CA) (resid 146 and name C) 1.0 -68.68 20.00 2

! 104. S 147 Phi -96.36 +/- 20.00 (-116.36 to -76.36)

assign (resid 146 and name C) (resid 147 and name N)
       (resid 147 and name CA) (resid 147 and name C) 1.0 -96.36 20.00 2

! 105. V 148 Phi -107.11 +/- 26.24 (-133.35 to -80.86)

assign (resid 147 and name C) (resid 148 and name N)
       (resid 148 and name CA) (resid 148 and name C) 1.0 -107.11 26.24 2

! 106. E 149 Phi -88.12 +/- 30.00 (-118.12 to -58.12)

assign (resid 148 and name C) (resid 149 and name N)
       (resid 149 and name CA) (resid 149 and name C) 1.0 -88.12 30.00 2

! 107. G 150 Phi -169.26 +/- 43.94 (-213.20 to -125.32)

assign (resid 149 and name C) (resid 150 and name N)
       (resid 150 and name CA) (resid 150 and name C) 1.0 -169.26 43.94 2

! 108. T 151 Phi -129.19 +/- 20.00 (-149.19 to -109.19)

assign (resid 150 and name C) (resid 151 and name N)
       (resid 151 and name CA) (resid 151 and name C) 1.0 -129.19 20.00 2

! 109. L 152 Phi -110.84 +/- 21.62 (-132.47 to -89.22)

assign (resid 151 and name C) (resid 152 and name N)
       (resid 152 and name CA) (resid 152 and name C) 1.0 -110.84 21.62 2

! 110. c 153 Phi -107.08 +/- 20.00 (-127.08 to -87.08)

assign (resid 152 and name C) (resid 153 and name N)
       (resid 153 and name CA) (resid 153 and name C) 1.0 -107.08 20.00 2

! 111. K 154 Phi -133.62 +/- 20.00 (-153.62 to -113.62)

assign (resid 153 and name C) (resid 154 and name N)
       (resid 154 and name CA) (resid 154 and name C) 1.0 -133.62 20.00 2

! 112. T 155 Phi -135.40 +/- 31.95 (-167.35 to -103.44)

assign (resid 154 and name C) (resid 155 and name N)
       (resid 155 and name CA) (resid 155 and name C) 1.0 -135.40 31.95 2

! 113. A 156 Phi -86.31 +/- 22.82 (-109.12 to -63.49)

assign (resid 155 and name C) (resid 156 and name N)
       (resid 156 and name CA) (resid 156 and name C) 1.0 -86.31 22.82 2

! 114. I 157 Phi -77.10 +/- 29.12 (-106.21 to -47.98)

assign (resid 156 and name C) (resid 157 and name N)
       (resid 157 and name CA) (resid 157 and name C) 1.0 -77.10 29.12 2


! 115. c 24 Psi 139.98 +/- 37.14 (102.84 to 177.12)

assign (resid 24 and name N) (resid 24 and name CA)
       (resid 24 and name C) (resid 25 and name N) 1.0 139.98 37.14 2

! 116. P 25 Psi -31.23 +/- 20.00 (-51.23 to -11.23)

assign (resid 25 and name N) (resid 25 and name CA)
       (resid 25 and name C) (resid 26 and name N) 1.0 -31.23 20.00 2

! 117. S 26 Psi 165.71 +/- 24.90 (140.81 to 190.60)

assign (resid 26 and name N) (resid 26 and name CA)
       (resid 26 and name C) (resid 27 and name N) 1.0 165.71 24.90 2

! 118. S 27 Psi -16.13 +/- 30.00 (-46.13 to 13.87)

assign (resid 27 and name N) (resid 27 and name CA)
       (resid 27 and name C) (resid 28 and name N) 1.0 -16.13 30.00 2

! 119. T 28 Psi -11.73 +/- 27.97 (-39.70 to 16.23)

assign (resid 28 and name N) (resid 28 and name CA)
       (resid 28 and name C) (resid 29 and name N) 1.0 -11.73 27.97 2

! 120. W 29 Psi 136.23 +/- 22.79 (113.44 to 159.02)

assign (resid 29 and name N) (resid 29 and name CA)
       (resid 29 and name C) (resid 30 and name N) 1.0 136.23 22.79 2

! 121. I 30 Psi 130.25 +/- 20.00 (110.25 to 150.25)

assign (resid 30 and name N) (resid 30 and name CA)
       (resid 30 and name C) (resid 31 and name N) 1.0 130.25 20.00 2

! 122. Q 31 Psi 122.67 +/- 20.00 (102.67 to 142.68)

assign (resid 31 and name N) (resid 31 and name CA)
       (resid 31 and name C) (resid 32 and name N) 1.0 122.67 20.00 2

! 123. F 32 Psi 125.37 +/- 20.00 (105.37 to 145.37)

assign (resid 32 and name N) (resid 32 and name CA)
       (resid 32 and name C) (resid 33 and name N) 1.0 125.37 20.00 2

! 124. S 35 Psi 149.11 +/- 20.00 (129.11 to 169.11)

assign (resid 35 and name N) (resid 35 and name CA)
       (resid 35 and name C) (resid 36 and name N) 1.0 149.11 20.00 2

! 125. c 36 Psi 152.09 +/- 20.00 (132.09 to 172.09)

assign (resid 36 and name N) (resid 36 and name CA)
       (resid 36 and name C) (resid 37 and name N) 1.0 152.09 20.00 2

! 126. Y 37 Psi 138.97 +/- 21.68 (117.29 to 160.65)

assign (resid 37 and name N) (resid 37 and name CA)
       (resid 37 and name C) (resid 38 and name N) 1.0 138.97 21.68 2

! 127. I 38 Psi 134.96 +/- 20.00 (114.96 to 154.96)

assign (resid 38 and name N) (resid 38 and name CA)
       (resid 38 and name C) (resid 39 and name N) 1.0 134.96 20.00 2

! 128. F 39 Psi 124.63 +/- 20.00 (104.63 to 144.63)

assign (resid 39 and name N) (resid 39 and name CA)
       (resid 39 and name C) (resid 40 and name N) 1.0 124.63 20.00 2

! 129. L 40 Psi 115.77 +/- 20.00 (95.77 to 135.77)

assign (resid 40 and name N) (resid 40 and name CA)
       (resid 40 and name C) (resid 41 and name N) 1.0 115.77 20.00 2

! 130. Q 41 Psi 137.58 +/- 39.07 (98.50 to 176.65)

assign (resid 41 and name N) (resid 41 and name CA)
       (resid 41 and name C) (resid 42 and name N) 1.0 137.58 39.07 2

! 131. E 42 Psi 139.83 +/- 26.93 (112.90 to 166.76)

assign (resid 42 and name N) (resid 42 and name CA)
       (resid 42 and name C) (resid 43 and name N) 1.0 139.83 26.93 2

! 132. A 43 Psi 141.94 +/- 24.23 (117.70 to 166.17)

assign (resid 43 and name N) (resid 43 and name CA)
       (resid 43 and name C) (resid 44 and name N) 1.0 141.94 24.23 2

! 133. I 44 Psi 132.26 +/- 20.92 (111.34 to 153.18)

assign (resid 44 and name N) (resid 44 and name CA)
       (resid 44 and name C) (resid 45 and name N) 1.0 132.26 20.92 2

! 134. K 45 Psi 128.73 +/- 20.00 (108.73 to 148.73)

assign (resid 45 and name N) (resid 45 and name CA)
       (resid 45 and name C) (resid 46 and name N) 1.0 128.73 20.00 2

! 135. V 46 Psi 142.78 +/- 30.83 (111.94 to 173.61)

assign (resid 46 and name N) (resid 46 and name CA)
       (resid 46 and name C) (resid 47 and name N) 1.0 142.78 30.83 2

! 136. E 47 Psi -12.20 +/- 38.50 (-50.70 to 26.30)

assign (resid 47 and name N) (resid 47 and name CA)
       (resid 47 and name C) (resid 48 and name N) 1.0 -12.20 38.50 2

! 137. S 48 Psi 159.36 +/- 20.88 (138.48 to 180.24)

assign (resid 48 and name N) (resid 48 and name CA)
       (resid 48 and name C) (resid 49 and name N) 1.0 159.36 20.88 2

! 138. I 49 Psi -31.60 +/- 20.00 (-51.60 to -11.60)

assign (resid 49 and name N) (resid 49 and name CA)
       (resid 49 and name C) (resid 50 and name N) 1.0 -31.60 20.00 2

! 139. E 50 Psi -41.26 +/- 20.00 (-61.26 to -21.26)

assign (resid 50 and name N) (resid 50 and name CA)
       (resid 50 and name C) (resid 51 and name N) 1.0 -41.26 20.00 2

! 140. D 51 Psi -41.51 +/- 20.00 (-61.51 to -21.51)

assign (resid 51 and name N) (resid 51 and name CA)
       (resid 51 and name C) (resid 52 and name N) 1.0 -41.51 20.00 2

! 141. V 52 Psi -43.39 +/- 20.00 (-63.39 to -23.39)

assign (resid 52 and name N) (resid 52 and name CA)
       (resid 52 and name C) (resid 53 and name N) 1.0 -43.39 20.00 2

! 142. R 53 Psi -40.14 +/- 20.00 (-60.14 to -20.14)

assign (resid 53 and name N) (resid 53 and name CA)
       (resid 53 and name C) (resid 54 and name N) 1.0 -40.14 20.00 2

! 143. N 54 Psi -36.92 +/- 20.00 (-56.92 to -16.92)

assign (resid 54 and name N) (resid 54 and name CA)
       (resid 54 and name C) (resid 55 and name N) 1.0 -36.92 20.00 2

! 144. Q 55 Psi -39.73 +/- 20.00 (-59.73 to -19.73)

assign (resid 55 and name N) (resid 55 and name CA)
       (resid 55 and name C) (resid 56 and name N) 1.0 -39.73 20.00 2

! 145. c 56 Psi -38.23 +/- 20.00 (-58.23 to -18.23)

assign (resid 56 and name N) (resid 56 and name CA)
       (resid 56 and name C) (resid 57 and name N) 1.0 -38.23 20.00 2

! 146. T 57 Psi -37.82 +/- 20.00 (-57.82 to -17.82)

assign (resid 57 and name N) (resid 57 and name CA)
       (resid 57 and name C) (resid 58 and name N) 1.0 -37.82 20.00 2

! 147. D 58 Psi -24.71 +/- 20.00 (-44.71 to -4.71)

assign (resid 58 and name N) (resid 58 and name CA)
       (resid 58 and name C) (resid 59 and name N) 1.0 -24.71 20.00 2

! 148. H 59 Psi 7.40 +/- 20.00 (-12.60 to 27.40)

assign (resid 59 and name N) (resid 59 and name CA)
       (resid 59 and name C) (resid 60 and name N) 1.0 7.40 20.00 2

! 149. G 60 Psi 30.46 +/- 20.00 (10.46 to 50.46)

assign (resid 60 and name N) (resid 60 and name CA)
       (resid 60 and name C) (resid 61 and name N) 1.0 30.46 20.00 2

! 150. A 61 Psi 159.41 +/- 20.00 (139.41 to 179.41)

assign (resid 61 and name N) (resid 61 and name CA)
       (resid 61 and name C) (resid 62 and name N) 1.0 159.41 20.00 2

! 151. D 62 Psi 143.09 +/- 24.96 (118.13 to 168.04)

assign (resid 62 and name N) (resid 62 and name CA)
       (resid 62 and name C) (resid 63 and name N) 1.0 143.09 24.96 2

! 152. M 63 Psi 127.36 +/- 21.89 (105.46 to 149.25)

assign (resid 63 and name N) (resid 63 and name CA)
       (resid 63 and name C) (resid 64 and name N) 1.0 127.36 21.89 2

! 153. I 66 Psi 141.20 +/- 34.00 (107.20 to 175.19)

assign (resid 66 and name N) (resid 66 and name CA)
       (resid 66 and name C) (resid 67 and name N) 1.0 141.20 34.00 2

! 154. H 67 Psi -8.10 +/- 31.23 (-39.32 to 23.13)

assign (resid 67 and name N) (resid 67 and name CA)
       (resid 67 and name C) (resid 68 and name N) 1.0 -8.10 31.23 2

! 155. N 68 Psi 165.28 +/- 20.00 (145.28 to 185.28)

assign (resid 68 and name N) (resid 68 and name CA)
       (resid 68 and name C) (resid 69 and name N) 1.0 165.28 20.00 2

! 156. E 69 Psi -35.85 +/- 20.00 (-55.85 to -15.85)

assign (resid 69 and name N) (resid 69 and name CA)
       (resid 69 and name C) (resid 70 and name N) 1.0 -35.85 20.00 2

! 157. E 70 Psi -43.24 +/- 20.00 (-63.24 to -23.24)

assign (resid 70 and name N) (resid 70 and name CA)
       (resid 70 and name C) (resid 71 and name N) 1.0 -43.24 20.00 2

! 158. E 71 Psi -40.48 +/- 20.00 (-60.48 to -20.48)

assign (resid 71 and name N) (resid 71 and name CA)
       (resid 71 and name C) (resid 72 and name N) 1.0 -40.48 20.00 2

! 159. N 72 Psi -44.32 +/- 20.00 (-64.32 to -24.32)

assign (resid 72 and name N) (resid 72 and name CA)
       (resid 72 and name C) (resid 73 and name N) 1.0 -44.32 20.00 2

! 160. A 73 Psi -38.99 +/- 20.00 (-58.99 to -18.99)

assign (resid 73 and name N) (resid 73 and name CA)
       (resid 73 and name C) (resid 74 and name N) 1.0 -38.99 20.00 2

! 161. F 74 Psi -43.46 +/- 20.00 (-63.46 to -23.46)

assign (resid 74 and name N) (resid 74 and name CA)
       (resid 74 and name C) (resid 75 and name N) 1.0 -43.46 20.00 2

! 162. I 75 Psi -43.84 +/- 20.00 (-63.84 to -23.84)

assign (resid 75 and name N) (resid 75 and name CA)
       (resid 75 and name C) (resid 76 and name N) 1.0 -43.84 20.00 2

! 163. L 76 Psi -42.20 +/- 20.00 (-62.20 to -22.20)

assign (resid 76 and name N) (resid 76 and name CA)
       (resid 76 and name C) (resid 77 and name N) 1.0 -42.20 20.00 2

! 164. D 77 Psi -40.97 +/- 20.00 (-60.97 to -20.97)

assign (resid 77 and name N) (resid 77 and name CA)
       (resid 77 and name C) (resid 78 and name N) 1.0 -40.97 20.00 2

! 165. T 78 Psi -42.55 +/- 20.00 (-62.55 to -22.55)

assign (resid 78 and name N) (resid 78 and name CA)
       (resid 78 and name C) (resid 79 and name N) 1.0 -42.55 20.00 2

! 166. L 79 Psi -41.90 +/- 20.00 (-61.90 to -21.90)

assign (resid 79 and name N) (resid 79 and name CA)
       (resid 79 and name C) (resid 80 and name N) 1.0 -41.90 20.00 2

! 167. K 80 Psi -34.40 +/- 20.00 (-54.40 to -14.40)

assign (resid 80 and name N) (resid 80 and name CA)
       (resid 80 and name C) (resid 81 and name N) 1.0 -34.40 20.00 2

! 168. K 81 Psi -30.77 +/- 20.00 (-50.77 to -10.77)

assign (resid 81 and name N) (resid 81 and name CA)
       (resid 81 and name C) (resid 82 and name N) 1.0 -30.77 20.00 2

! 169. Q 82 Psi -22.71 +/- 20.00 (-42.71 to -2.71)

assign (resid 82 and name N) (resid 82 and name CA)
       (resid 82 and name C) (resid 83 and name N) 1.0 -22.71 20.00 2

! 170. P 86 Psi 149.04 +/- 20.00 (129.04 to 169.04)

assign (resid 86 and name N) (resid 86 and name CA)
       (resid 86 and name C) (resid 87 and name N) 1.0 149.04 30.00 2

! 171. D 87 Psi -30.79 +/- 20.00 (-50.79 to -10.79)

assign (resid 87 and name N) (resid 87 and name CA)
       (resid 87 and name C) (resid 88 and name N) 1.0 -30.79 20.00 2

! 172. D 88 Psi 150.84 +/- 20.81 (130.03 to 171.64)

assign (resid 88 and name N) (resid 88 and name CA)
       (resid 88 and name C) (resid 89 and name N) 1.0 150.84 20.81 2

! 173. I 89 Psi 130.49 +/- 20.07 (110.42 to 150.55)

assign (resid 89 and name N) (resid 89 and name CA)
       (resid 89 and name C) (resid 90 and name N) 1.0 130.49 20.07 2

! 174. L 90 Psi 130.43 +/- 20.00 (110.43 to 150.43)

assign (resid 90 and name N) (resid 90 and name CA)
       (resid 90 and name C) (resid 91 and name N) 1.0 130.43 20.00 2

! 175. L 91 Psi 136.47 +/- 43.92 (92.55 to 180.40)

assign (resid 91 and name N) (resid 91 and name CA)
       (resid 91 and name C) (resid 92 and name N) 1.0 136.47 43.92 2

! 176. M 93 Psi 150.61 +/- 20.10 (130.51 to 170.71)

assign (resid 93 and name N) (resid 93 and name CA)
       (resid 93 and name C) (resid 94 and name N) 1.0 150.61 20.10 2

! 177. F 94 Psi 139.10 +/- 28.32 (110.78 to 167.42)

assign (resid 94 and name N) (resid 94 and name CA)
       (resid 94 and name C) (resid 95 and name N) 1.0 139.10 28.32 2

! 178. Y 95 Psi 123.11 +/- 26.25 (96.86 to 149.35)

assign (resid 95 and name N) (resid 95 and name CA)
       (resid 95 and name C) (resid 96 and name N) 1.0 123.11 26.25 2

! 179. D 96 Psi 107.18 +/- 20.00 (87.18 to 127.18)

assign (resid 96 and name N) (resid 96 and name CA)
       (resid 96 and name C) (resid 97 and name N) 1.0 107.18 20.00 2

! 180. T 97 Psi -26.77 +/- 20.00 (-46.77 to -6.77)

assign (resid 97 and name N) (resid 97 and name CA)
       (resid 97 and name C) (resid 98 and name N) 1.0 -26.77 20.00 2

! 181. D 98 Psi -40.04 +/- 20.00 (-60.04 to -20.04)

assign (resid 98 and name N) (resid 98 and name CA)
       (resid 98 and name C) (resid 99 and name N) 1.0 -40.04 20.00 2

! 182. D 99 Psi -4.06 +/- 20.00 (-24.06 to 15.94)

assign (resid 99 and name N) (resid 99 and name CA)
       (resid 99 and name C) (resid 100 and name N) 1.0 -4.06 20.00 2

! 183. A 100 Psi 44.96 +/- 30.00 (14.96 to 74.96)

assign (resid 100 and name N) (resid 100 and name CA)
       (resid 100 and name C) (resid 101 and name N) 1.0 44.96 30.00 2

! 184. S 101 Psi 154.21 +/- 20.00 (134.21 to 174.21)

assign (resid 101 and name N) (resid 101 and name CA)
       (resid 101 and name C) (resid 102 and name N) 1.0 154.21 20.00 2

! 185. F 102 Psi 136.38 +/- 20.00 (116.38 to 156.38)

assign (resid 102 and name N) (resid 102 and name CA)
       (resid 102 and name C) (resid 103 and name N) 1.0 136.38 20.00 2

! 186. K 103 Psi 157.40 +/- 20.00 (137.40 to 177.40)

assign (resid 103 and name N) (resid 103 and name CA)
       (resid 103 and name C) (resid 104 and name N) 1.0 157.40 20.00 2

! 187. W 104 Psi 151.76 +/- 27.58 (124.18 to 179.34)

assign (resid 104 and name N) (resid 104 and name CA)
       (resid 104 and name C) (resid 105 and name N) 1.0 151.76 27.58 2

! 188. F 105 Psi -31.64 +/- 20.00 (-51.64 to -11.64)

assign (resid 105 and name N) (resid 105 and name CA)
       (resid 105 and name C) (resid 106 and name N) 1.0 -31.64 20.00 2

! 189. D 106 Psi 6.55 +/- 20.00 (-13.45 to 26.55)

assign (resid 106 and name N) (resid 106 and name CA)
       (resid 106 and name C) (resid 107 and name N) 1.0 6.55 20.00 2

! 190. S 108 Psi 143.60 +/- 40.40 (103.20 to 184.00)

assign (resid 108 and name N) (resid 108 and name CA)
       (resid 108 and name C) (resid 109 and name N) 1.0 143.60 40.40 2

! 191. N 109 Psi 129.19 +/- 26.84 (102.35 to 156.02)

assign (resid 109 and name N) (resid 109 and name CA)
       (resid 109 and name C) (resid 110 and name N) 1.0 129.19 26.84 2

! 192. M 110 Psi 120.87 +/- 29.06 (91.81 to 149.93)

assign (resid 110 and name N) (resid 110 and name CA)
       (resid 110 and name C) (resid 111 and name N) 1.0 120.87 29.06 2

! 193. F 112 Psi 140.62 +/- 20.00 (120.62 to 160.62)

assign (resid 112 and name N) (resid 112 and name CA)
       (resid 112 and name C) (resid 113 and name N) 1.0 140.62 20.00 2

! 194. D 113 Psi 154.32 +/- 25.76 (128.57 to 180.08)

assign (resid 113 and name N) (resid 113 and name CA)
       (resid 113 and name C) (resid 114 and name N) 1.0 154.32 25.76 2

! 195. K 114 Psi 129.35 +/- 58.19 (71.16 to 187.54)

assign (resid 114 and name N) (resid 114 and name CA)
       (resid 114 and name C) (resid 115 and name N) 1.0 129.35 58.19 2

! 196. W 115 Psi 138.73 +/- 21.32 (117.41 to 160.05)

assign (resid 115 and name N) (resid 115 and name CA)
       (resid 115 and name C) (resid 116 and name N) 1.0 138.73 21.32 2

! 197. T 116 Psi 144.96 +/- 67.08 (77.88 to 212.04)

assign (resid 116 and name N) (resid 116 and name CA)
       (resid 116 and name C) (resid 117 and name N) 1.0 144.96 67.08 2

! 198. D 117 Psi 138.36 +/- 22.61 (115.75 to 160.97)

assign (resid 117 and name N) (resid 117 and name CA)
       (resid 117 and name C) (resid 118 and name N) 1.0 138.36 22.61 2

! 199. Q 118 Psi 144.79 +/- 34.07 (110.73 to 178.86)

assign (resid 118 and name N) (resid 118 and name CA)
       (resid 118 and name C) (resid 119 and name N) 1.0 144.79 34.07 2

! 200. D 119 Psi 144.63 +/- 22.66 (121.97 to 167.30)

assign (resid 119 and name N) (resid 119 and name CA)
       (resid 119 and name C) (resid 120 and name N) 1.0 144.63 22.66 2

! 201. D 123 Psi 132.19 +/- 42.25 (89.94 to 174.44)

assign (resid 123 and name N) (resid 123 and name CA)
       (resid 123 and name C) (resid 124 and name N) 1.0 132.19 42.25 2

! 202. D 126 Psi 2.33 +/- 30.00 (-27.67 to 32.33)

assign (resid 126 and name N) (resid 126 and name CA)
       (resid 126 and name C) (resid 127 and name N) 1.0 2.33 30.00 2

! 203. T 127 Psi 136.15 +/- 48.44 (87.70 to 184.59)

assign (resid 127 and name N) (resid 127 and name CA)
       (resid 127 and name C) (resid 128 and name N) 1.0 136.15 48.44 2

! 204. A 129 Psi 145.26 +/- 20.78 (124.49 to 166.04)

assign (resid 129 and name N) (resid 129 and name CA)
       (resid 129 and name C) (resid 130 and name N) 1.0 145.26 20.78 2

! 205. F 130 Psi 131.70 +/- 20.00 (111.70 to 151.70)

assign (resid 130 and name N) (resid 130 and name CA)
       (resid 130 and name C) (resid 131 and name N) 1.0 131.70 20.00 2

! 206. L 131 Psi 122.55 +/- 20.00 (102.55 to 142.55)

assign (resid 131 and name N) (resid 131 and name CA)
       (resid 131 and name C) (resid 132 and name N) 1.0 122.55 20.00 2

! 207. H 132 Psi 107.44 +/- 20.00 (87.44 to 127.44)

assign (resid 132 and name N) (resid 132 and name CA)
       (resid 132 and name C) (resid 133 and name N) 1.0 107.44 20.00 2

! 208. I 133 Psi -35.44 +/- 20.00 (-55.44 to -15.44)

assign (resid 133 and name N) (resid 133 and name CA)
       (resid 133 and name C) (resid 134 and name N) 1.0 -35.44 20.00 2

! 209. K 134 Psi -35.83 +/- 20.00 (-55.83 to -15.83)

assign (resid 134 and name N) (resid 134 and name CA)
       (resid 134 and name C) (resid 135 and name N) 1.0 -35.83 20.00 2

! 210. T 135 Psi -15.97 +/- 20.00 (-35.97 to 4.03)

assign (resid 135 and name N) (resid 135 and name CA)
       (resid 135 and name C) (resid 136 and name N) 1.0 -15.97 20.00 2

! 211. G 136 Psi 14.67 +/- 28.54 (-13.88 to 43.21)

assign (resid 136 and name N) (resid 136 and name CA)
       (resid 136 and name C) (resid 137 and name N) 1.0 14.67 28.54 2

! 212. E 137 Psi 145.41 +/- 20.00 (125.41 to 165.41)

assign (resid 137 and name N) (resid 137 and name CA)
       (resid 137 and name C) (resid 138 and name N) 1.0 145.41 20.00 2

! 213. W 138 Psi 138.47 +/- 23.65 (114.82 to 162.13)

assign (resid 138 and name N) (resid 138 and name CA)
       (resid 138 and name C) (resid 139 and name N) 1.0 138.47 23.65 2

! 214. K 139 Psi 145.55 +/- 26.90 (118.65 to 172.45)

assign (resid 139 and name N) (resid 139 and name CA)
       (resid 139 and name C) (resid 140 and name N) 1.0 145.55 26.90 2

! 215. K 140 Psi 136.72 +/- 21.19 (115.53 to 157.90)

assign (resid 140 and name N) (resid 140 and name CA)
       (resid 140 and name C) (resid 141 and name N) 1.0 136.72 21.19 2

! 216. G 141 Psi 173.35 +/- 22.23 (151.12 to 195.58)

assign (resid 141 and name N) (resid 141 and name CA)
       (resid 141 and name C) (resid 142 and name N) 1.0 173.35 22.23 2

! 217. S 146 Psi -26.44 +/- 20.00 (-46.44 to -6.44)

assign (resid 146 and name N) (resid 146 and name CA)
       (resid 146 and name C) (resid 147 and name N) 1.0 -26.44 20.00 2

! 218. S 147 Psi -1.00 +/- 22.66 (-23.66 to 21.66)

assign (resid 147 and name N) (resid 147 and name CA)
       (resid 147 and name C) (resid 148 and name N) 1.0 -1.00 22.66 2

! 219. V 148 Psi 129.51 +/- 21.00 (108.50 to 150.51)

assign (resid 148 and name N) (resid 148 and name CA)
       (resid 148 and name C) (resid 149 and name N) 1.0 129.51 21.00 2

! 220. E 149 Psi -24.55 +/- 34.81 (-59.36 to 10.26)

assign (resid 149 and name N) (resid 149 and name CA)
       (resid 149 and name C) (resid 150 and name N) 1.0 -24.55 34.81 2

! 221. G 150 Psi 163.53 +/- 27.66 (135.87 to 191.19)

assign (resid 150 and name N) (resid 150 and name CA)
       (resid 150 and name C) (resid 151 and name N) 1.0 163.53 27.66 2

! 222. T 151 Psi 131.42 +/- 20.00 (111.42 to 151.42)

assign (resid 151 and name N) (resid 151 and name CA)
       (resid 151 and name C) (resid 152 and name N) 1.0 131.42 20.00 2

! 223. L 152 Psi 127.79 +/- 20.00 (107.79 to 147.79)

assign (resid 152 and name N) (resid 152 and name CA)
       (resid 152 and name C) (resid 153 and name N) 1.0 127.79 20.00 2

! 224. c 153 Psi 128.01 +/- 20.00 (108.01 to 148.01)

assign (resid 153 and name N) (resid 153 and name CA)
       (resid 153 and name C) (resid 154 and name N) 1.0 128.01 20.00 2

! 225. K 154 Psi 145.75 +/- 20.00 (125.75 to 165.75)

assign (resid 154 and name N) (resid 154 and name CA)
       (resid 154 and name C) (resid 155 and name N) 1.0 145.75 20.00 2

! 226. T 155 Psi 140.78 +/- 34.01 (106.77 to 174.78)

assign (resid 155 and name N) (resid 155 and name CA)
       (resid 155 and name C) (resid 156 and name N) 1.0 140.78 34.01 2

! 227. A 156 Psi 130.65 +/- 24.67 (105.98 to 155.33)

assign (resid 156 and name N) (resid 156 and name CA)
       (resid 156 and name C) (resid 157 and name N) 1.0 130.65 24.67 2

! 228. I 157 Psi 138.43 +/- 25.23 (113.21 to 163.66)

assign (resid 157 and name N) (resid 157 and name CA)
       (resid 157 and name C) (resid 158 and name N) 1.0 138.43 25.23 2
assign (resid 28 and name HG21) (resid 152 and name HD12) 3.200 1.280 1.280 weight 1.000 ! spec=HCH, no=151, id=3239, vol=1.190000e+07
    or (resid 28 and name HG21) (resid 152 and name HD11)
    or (resid 28 and name HG21) (resid 152 and name HD13)
    or (resid 28 and name HG22) (resid 152 and name HD12)
    or (resid 28 and name HG22) (resid 152 and name HD11)
    or (resid 28 and name HG22) (resid 152 and name HD13)
    or (resid 28 and name HG23) (resid 152 and name HD12)
    or (resid 28 and name HG23) (resid 152 and name HD11)
    or (resid 28 and name HG23) (resid 152 and name HD13)
    or (resid 28 and name HG21) (resid 30 and name HD12)
    or (resid 28 and name HG21) (resid 30 and name HD11)
    or (resid 28 and name HG21) (resid 30 and name HD13)
    or (resid 28 and name HG22) (resid 30 and name HD12)
    or (resid 28 and name HG22) (resid 30 and name HD11)
    or (resid 28 and name HG22) (resid 30 and name HD13)
    or (resid 28 and name HG23) (resid 30 and name HD12)
    or (resid 28 and name HG23) (resid 30 and name HD11)
    or (resid 28 and name HG23) (resid 30 and name HD13)
assign (resid 31 and name HA) (resid 29 and name HB2) 3.832 1.835 1.835 weight 1.000 ! spec=HCH, no=277, id=3359, vol=4.050000e+06
    or (resid 31 and name HA) (resid 29 and name HB1)
    or (resid 31 and name HA) (resid 37 and name HB1)
assign (resid 34 and name HB2) (resid 156 and name HB2) 3.700 1.712 1.712 weight 1.000 ! spec=HCH, no=383, id=3461, vol=4.990000e+06
    or (resid 34 and name HB2) (resid 156 and name HB1)
    or (resid 34 and name HB2) (resid 156 and name HB3)
    or (resid 34 and name HB2) (resid 157 and name HG11)
assign (resid 36 and name HB1) (resid 32 and name HB1) 4.126 2.128 2.128 weight 1.000 ! spec=HCH, no=477, id=3549, vol=2.600000e+06
    or (resid 36 and name HB1) (resid 153 and name HB2)
assign (resid 38 and name HD12) (resid 30 and name HB) 3.922 1.923 1.923 weight 1.000 ! spec=HCH, no=577, id=3642, vol=3.520000e+06
    or (resid 38 and name HD11) (resid 30 and name HB)
    or (resid 38 and name HD13) (resid 30 and name HB)
    or (resid 38 and name HD12) (resid 82 and name HG2)
    or (resid 38 and name HD11) (resid 82 and name HG2)
    or (resid 38 and name HD13) (resid 82 and name HG2)
assign (resid 40 and name HD12) (resid 55 and name HG1) 3.665 1.679 1.679 weight 1.000 ! spec=HCH, no=712, id=3772, vol=5.290000e+06
    or (resid 40 and name HD11) (resid 55 and name HG1)
    or (resid 40 and name HD13) (resid 55 and name HG1)
    or (resid 40 and name HD12) (resid 56 and name HB2)
    or (resid 40 and name HD11) (resid 56 and name HB2)
    or (resid 40 and name HD13) (resid 56 and name HB2)
assign (resid 40 and name HD12) (resid 59 and name HB2) 3.579 1.601 1.601 weight 1.000 ! spec=HCH, no=715, id=3775, vol=6.110000e+06
    or (resid 40 and name HD11) (resid 59 and name HB2)
    or (resid 40 and name HD13) (resid 59 and name HB2)
    or (resid 40 and name HD12) (resid 153 and name HB1)
    or (resid 40 and name HD11) (resid 153 and name HB1)
    or (resid 40 and name HD13) (resid 153 and name HB1)
assign (resid 40 and name HD12) (resid 59 and name HB1) 3.571 1.594 1.594 weight 1.000 ! spec=HCH, no=720, id=3780, vol=6.180000e+06
    or (resid 40 and name HD11) (resid 59 and name HB1)
    or (resid 40 and name HD13) (resid 59 and name HB1)
    or (resid 40 and name HD12) (resid 150 and name HA2)
    or (resid 40 and name HD11) (resid 150 and name HA2)
    or (resid 40 and name HD13) (resid 150 and name HA2)
assign (resid 55 and name HN) (resid 40 and name HD22) 2.947 1.085 1.085 weight 1.000 ! spec=HCH, no=749, id=3809, vol=1.960000e+07
    or (resid 55 and name HN) (resid 40 and name HD21)
    or (resid 55 and name HN) (resid 40 and name HD23)
    or (resid 40 and name HD22) (resid 59 and name HD2)
    or (resid 40 and name HD21) (resid 59 and name HD2)
    or (resid 40 and name HD23) (resid 59 and name HD2)
assign (resid 46 and name HG22) (resid 44 and name HB) 2.877 1.035 1.035 weight 1.000 ! spec=HCH, no=1048, id=4096, vol=2.260000e+07
    or (resid 46 and name HG21) (resid 44 and name HB)
    or (resid 46 and name HG23) (resid 44 and name HB)
    or (resid 45 and name HB1) (resid 46 and name HG22)
    or (resid 45 and name HB1) (resid 46 and name HG21)
    or (resid 45 and name HB1) (resid 46 and name HG23)
assign (resid 48 and name HB1) (resid 50 and name HG2) 3.535 1.562 1.562 weight 1.000 ! spec=HCH, no=1112, id=4158, vol=6.570000e+06
    or (resid 48 and name HB1) (resid 144 and name HG2)
    or (resid 48 and name HB1) (resid 144 and name HG1)
assign (resid 49 and name HB) (resid 46 and name HG12) 3.352 1.405 1.405 weight 1.000 ! spec=HCH, no=1149, id=4193, vol=9.030000e+06
    or (resid 49 and name HB) (resid 46 and name HG11)
    or (resid 49 and name HB) (resid 46 and name HG13)
    or (resid 49 and name HB) (resid 90 and name HD12)
    or (resid 49 and name HB) (resid 90 and name HD11)
    or (resid 49 and name HB) (resid 90 and name HD13)
assign (resid 49 and name HD12) (resid 105 and name HE1) 2.512 0.789 0.789 weight 1.000 ! spec=HCH, no=1177, id=4219, vol=5.100000e+07
    or (resid 49 and name HD12) (resid 105 and name HE2)
    or (resid 49 and name HD11) (resid 105 and name HE1)
    or (resid 49 and name HD11) (resid 105 and name HE2)
    or (resid 49 and name HD13) (resid 105 and name HE1)
    or (resid 49 and name HD13) (resid 105 and name HE2)
    or (resid 49 and name HD12) (resid 105 and name HZ)
    or (resid 49 and name HD11) (resid 105 and name HZ)
    or (resid 49 and name HD13) (resid 105 and name HZ)
assign (resid 49 and name HD12) (resid 144 and name HN) 3.075 1.182 1.182 weight 1.000 ! spec=HCH, no=1178, id=4220, vol=1.520000e+07
    or (resid 49 and name HD11) (resid 144 and name HN)
    or (resid 49 and name HD13) (resid 144 and name HN)
    or (resid 93 and name HN) (resid 49 and name HD12)
    or (resid 93 and name HN) (resid 49 and name HD11)
    or (resid 93 and name HN) (resid 49 and name HD13)
assign (resid 49 and name HG22) (resid 48 and name HN) 3.788 1.793 1.793 weight 1.000 ! spec=HCH, no=1231, id=4267, vol=4.340000e+06
    or (resid 49 and name HG21) (resid 48 and name HN)
    or (resid 49 and name HG23) (resid 48 and name HN)
    or (resid 49 and name HG22) (resid 145 and name HN)
    or (resid 49 and name HG21) (resid 145 and name HN)
    or (resid 49 and name HG23) (resid 145 and name HN)
assign (resid 49 and name HG22) (resid 105 and name HA) 3.579 1.601 1.601 weight 1.000 ! spec=HCH, no=1232, id=4268, vol=6.100000e+06
    or (resid 49 and name HG21) (resid 105 and name HA)
    or (resid 49 and name HG23) (resid 105 and name HA)
    or (resid 49 and name HG22) (resid 143 and name HA)
    or (resid 49 and name HG21) (resid 143 and name HA)
    or (resid 49 and name HG23) (resid 143 and name HA)
assign (resid 50 and name HA) (resid 52 and name HN) 3.305 1.365 1.365 weight 1.000 ! spec=HCH, no=1252, id=4288, vol=9.840000e+06
    or (resid 50 and name HA) (resid 105 and name HZ)
assign (resid 52 and name HN) (resid 50 and name HB2) 3.678 1.691 1.691 weight 1.000 ! spec=HCH, no=1269, id=4304, vol=5.180000e+06
    or (resid 50 and name HB2) (resid 105 and name HZ)
assign (resid 52 and name HG12) (resid 46 and name HA) 2.907 1.056 1.056 weight 1.000 ! spec=HCH, no=1348, id=4380, vol=2.130000e+07
    or (resid 52 and name HG11) (resid 46 and name HA)
    or (resid 52 and name HG13) (resid 46 and name HA)
    or (resid 52 and name HG12) (resid 51 and name HA)
    or (resid 52 and name HG11) (resid 51 and name HA)
    or (resid 52 and name HG13) (resid 51 and name HA)
assign (resid 52 and name HG22) (resid 46 and name HG12) 2.318 0.671 0.671 weight 1.000 ! spec=HCH, no=1382, id=4413, vol=8.280000e+07
    or (resid 52 and name HG22) (resid 46 and name HG11)
    or (resid 52 and name HG22) (resid 46 and name HG13)
    or (resid 52 and name HG21) (resid 46 and name HG12)
    or (resid 52 and name HG21) (resid 46 and name HG11)
    or (resid 52 and name HG21) (resid 46 and name HG13)
    or (resid 52 and name HG23) (resid 46 and name HG12)
    or (resid 52 and name HG23) (resid 46 and name HG11)
    or (resid 52 and name HG23) (resid 46 and name HG13)
    or (resid 52 and name HG22) (resid 90 and name HD12)
    or (resid 52 and name HG22) (resid 90 and name HD11)
    or (resid 52 and name HG22) (resid 90 and name HD13)
    or (resid 52 and name HG21) (resid 90 and name HD12)
    or (resid 52 and name HG21) (resid 90 and name HD11)
    or (resid 52 and name HG21) (resid 90 and name HD13)
    or (resid 52 and name HG23) (resid 90 and name HD12)
    or (resid 52 and name HG23) (resid 90 and name HD11)
    or (resid 52 and name HG23) (resid 90 and name HD13)
assign (resid 53 and name HB2) (resid 54 and name HA) 3.767 1.774 1.774 weight 1.000 ! spec=HCH, no=1394, id=4425, vol=4.490000e+06
    or (resid 53 and name HB2) (resid 63 and name HA)
assign (resid 54 and name HN) (resid 53 and name HG1) 3.130 1.224 1.224 weight 1.000 ! spec=HCH, no=1415, id=4445, vol=1.370000e+07
    or (resid 53 and name HN) (resid 53 and name HG1)
assign (resid 55 and name HB1) (resid 44 and name HG22) 3.715 1.725 1.725 weight 1.000 ! spec=HCH, no=1458, id=4486, vol=4.880000e+06
    or (resid 55 and name HB1) (resid 44 and name HG21)
    or (resid 55 and name HB1) (resid 44 and name HG23)
    or (resid 55 and name HB1) (resid 152 and name HD12)
    or (resid 55 and name HB1) (resid 152 and name HD11)
    or (resid 55 and name HB1) (resid 152 and name HD13)
assign (resid 57 and name HG21) (resid 53 and name HD1) 3.284 1.348 1.348 weight 1.000 ! spec=HCH, no=1546, id=4569, vol=1.020000e+07
    or (resid 57 and name HG22) (resid 53 and name HD1)
    or (resid 57 and name HG23) (resid 53 and name HD1)
    or (resid 57 and name HG21) (resid 63 and name HG1)
    or (resid 57 and name HG22) (resid 63 and name HG1)
    or (resid 57 and name HG23) (resid 63 and name HG1)
assign (resid 58 and name HB2) (resid 59 and name HA) 3.664 1.678 1.678 weight 1.000 ! spec=HCH, no=1567, id=4589, vol=5.300000e+06
    or (resid 58 and name HB2) (resid 54 and name HA)
assign (resid 56 and name HB2) (resid 62 and name HA) 2.478 0.768 0.768 weight 1.000 ! spec=HCH, no=1656, id=4674, vol=5.540000e+07
    or (resid 62 and name HA) (resid 62 and name HB2)
assign (resid 63 and name HB1) (resid 49 and name HD12) 3.827 1.831 1.831 weight 1.000 ! spec=HCH, no=1679, id=4689, vol=4.080000e+06
    or (resid 63 and name HB1) (resid 49 and name HD11)
    or (resid 63 and name HB1) (resid 49 and name HD13)
    or (resid 63 and name HB1) (resid 64 and name HG12)
assign (resid 93 and name HN) (resid 63 and name HE2) 2.365 0.699 0.699 weight 1.000 ! spec=HCH, no=1703, id=4711, vol=7.320000e+07
    or (resid 93 and name HN) (resid 63 and name HE1)
    or (resid 93 and name HN) (resid 63 and name HE3)
    or (resid 64 and name HN) (resid 63 and name HE2)
    or (resid 64 and name HN) (resid 63 and name HE1)
    or (resid 64 and name HN) (resid 63 and name HE3)
    or (resid 92 and name HN) (resid 63 and name HE2)
    or (resid 92 and name HN) (resid 63 and name HE1)
    or (resid 92 and name HN) (resid 63 and name HE3)
assign (resid 63 and name HB1) (resid 63 and name HE2) 1.917 0.460 0.460 weight 1.000 ! spec=HCH, no=1704, id=4712, vol=2.580000e+08
    or (resid 63 and name HB1) (resid 63 and name HE1)
    or (resid 63 and name HB1) (resid 63 and name HE3)
    or (resid 63 and name HE2) (resid 63 and name HG2)
    or (resid 63 and name HE1) (resid 63 and name HG2)
    or (resid 63 and name HE3) (resid 63 and name HG2)
assign (resid 64 and name HA) (resid 154 and name HE2) 3.357 1.409 1.409 weight 1.000 ! spec=HCH, no=1762, id=4768, vol=8.960000e+06
    or (resid 64 and name HA) (resid 154 and name HE1)
    or (resid 64 and name HA) (resid 153 and name HB1)
assign (resid 64 and name HD12) (resid 152 and name HN) 3.522 1.550 1.550 weight 1.000 ! spec=HCH, no=1793, id=4798, vol=6.720000e+06
    or (resid 64 and name HD11) (resid 152 and name HN)
    or (resid 64 and name HD13) (resid 152 and name HN)
    or (resid 64 and name HD12) (resid 153 and name HN)
    or (resid 64 and name HD11) (resid 153 and name HN)
    or (resid 64 and name HD13) (resid 153 and name HN)
assign (resid 64 and name HD12) (resid 64 and name HN) 2.918 1.065 1.065 weight 1.000 ! spec=HCH, no=1795, id=4800, vol=2.080000e+07
    or (resid 64 and name HD11) (resid 64 and name HN)
    or (resid 64 and name HD13) (resid 64 and name HN)
    or (resid 64 and name HD12) (resid 92 and name HN)
    or (resid 64 and name HD11) (resid 92 and name HN)
    or (resid 64 and name HD13) (resid 92 and name HN)
assign (resid 64 and name HG22) (resid 152 and name HB1) 2.092 0.547 0.547 weight 1.000 ! spec=HCH, no=1828, id=4832, vol=1.530000e+08
    or (resid 64 and name HG21) (resid 152 and name HB1)
    or (resid 64 and name HG23) (resid 152 and name HB1)
    or (resid 64 and name HG22) (resid 64 and name HB)
    or (resid 64 and name HG21) (resid 64 and name HB)
    or (resid 64 and name HG23) (resid 64 and name HB)
assign (resid 64 and name HG22) (resid 75 and name HG22) 2.571 0.826 0.826 weight 1.000 ! spec=HCH, no=1829, id=4833, vol=4.440000e+07
    or (resid 64 and name HG22) (resid 75 and name HG21)
    or (resid 64 and name HG22) (resid 75 and name HG23)
    or (resid 64 and name HG21) (resid 75 and name HG22)
    or (resid 64 and name HG21) (resid 75 and name HG21)
    or (resid 64 and name HG21) (resid 75 and name HG23)
    or (resid 64 and name HG23) (resid 75 and name HG22)
    or (resid 64 and name HG23) (resid 75 and name HG21)
    or (resid 64 and name HG23) (resid 75 and name HG23)
    or (resid 64 and name HG22) (resid 79 and name HD22)
    or (resid 64 and name HG22) (resid 79 and name HD21)
    or (resid 64 and name HG22) (resid 79 and name HD23)
    or (resid 64 and name HG21) (resid 79 and name HD22)
    or (resid 64 and name HG21) (resid 79 and name HD21)
    or (resid 64 and name HG21) (resid 79 and name HD23)
    or (resid 64 and name HG23) (resid 79 and name HD22)
    or (resid 64 and name HG23) (resid 79 and name HD21)
    or (resid 64 and name HG23) (resid 79 and name HD23)
assign (resid 64 and name HG22) (resid 37 and name HB2) 4.016 2.016 2.016 weight 1.000 ! spec=HCH, no=1845, id=4849, vol=3.060000e+06
    or (resid 64 and name HG21) (resid 37 and name HB2)
    or (resid 64 and name HG23) (resid 37 and name HB2)
    or (resid 64 and name HG22) (resid 65 and name HB2)
    or (resid 64 and name HG21) (resid 65 and name HB2)
    or (resid 64 and name HG23) (resid 65 and name HB2)
assign (resid 66 and name HB) (resid 104 and name HE1) 3.881 1.883 1.883 weight 1.000 ! spec=HCH, no=1915, id=4915, vol=3.750000e+06
    or (resid 138 and name HE1) (resid 66 and name HB)
assign (resid 66 and name HD12) (resid 68 and name HA) 3.961 1.961 1.961 weight 1.000 ! spec=HCH, no=1937, id=4936, vol=3.320000e+06
    or (resid 66 and name HD11) (resid 68 and name HA)
    or (resid 66 and name HD13) (resid 68 and name HA)
    or (resid 66 and name HD12) (resid 136 and name HA2)
    or (resid 66 and name HD11) (resid 136 and name HA2)
    or (resid 66 and name HD13) (resid 136 and name HA2)
assign (resid 72 and name HD22) (resid 66 and name HG22) 3.341 1.395 1.395 weight 1.000 ! spec=HCH, no=2014, id=5009, vol=9.220000e+06
    or (resid 72 and name HD22) (resid 66 and name HG21)
    or (resid 72 and name HD22) (resid 66 and name HG23)
    or (resid 66 and name HG22) (resid 113 and name HN)
    or (resid 66 and name HG21) (resid 113 and name HN)
    or (resid 66 and name HG23) (resid 113 and name HN)
assign (resid 65 and name HA) (resid 66 and name HG22) 3.071 1.179 1.179 weight 1.000 ! spec=HCH, no=2016, id=5011, vol=1.530000e+07
    or (resid 65 and name HA) (resid 66 and name HG21)
    or (resid 65 and name HA) (resid 66 and name HG23)
    or (resid 66 and name HG22) (resid 114 and name HN)
    or (resid 66 and name HG21) (resid 114 and name HN)
    or (resid 66 and name HG23) (resid 114 and name HN)
assign (resid 68 and name HA) (resid 70 and name HG1) 3.798 1.803 1.803 weight 1.000 ! spec=HCH, no=2067, id=5061, vol=4.270000e+06
    or (resid 68 and name HA) (resid 72 and name HB2)
assign (resid 68 and name HD22) (resid 68 and name HB2) 3.108 1.208 1.208 weight 1.000 ! spec=HCH, no=2079, id=5072, vol=1.420000e+07
    or (resid 68 and name HN) (resid 68 and name HB2)
assign (resid 70 and name HG1) (resid 73 and name HB2) 3.933 1.934 1.934 weight 1.000 ! spec=HCH, no=2192, id=5181, vol=3.460000e+06
    or (resid 70 and name HG1) (resid 73 and name HB1)
    or (resid 70 and name HG1) (resid 73 and name HB3)
    or (resid 70 and name HG1) (resid 33 and name HG1)
assign (resid 71 and name HA) (resid 74 and name HB2) 2.511 0.788 0.788 weight 1.000 ! spec=HCH, no=2210, id=5197, vol=5.120000e+07
    or (resid 71 and name HA) (resid 71 and name HG2)
assign (resid 71 and name HG2) (resid 75 and name HD12) 3.276 1.341 1.341 weight 1.000 ! spec=HCH, no=2225, id=5212, vol=1.040000e+07
    or (resid 71 and name HG2) (resid 75 and name HD11)
    or (resid 71 and name HG2) (resid 75 and name HD13)
    or (resid 71 and name HG2) (resid 66 and name HG12)
assign (resid 72 and name HA) (resid 66 and name HB) 2.830 1.001 1.001 weight 1.000 ! spec=HCH, no=2252, id=5238, vol=2.500000e+07
    or (resid 72 and name HA) (resid 75 and name HB)
assign (resid 73 and name HB2) (resid 32 and name HE1) 3.511 1.541 1.541 weight 1.000 ! spec=HCH, no=2319, id=5302, vol=6.850000e+06
    or (resid 73 and name HB2) (resid 32 and name HE2)
    or (resid 73 and name HB1) (resid 32 and name HE1)
    or (resid 73 and name HB1) (resid 32 and name HE2)
    or (resid 73 and name HB3) (resid 32 and name HE1)
    or (resid 73 and name HB3) (resid 32 and name HE2)
    or (resid 73 and name HB2) (resid 112 and name HE1)
    or (resid 73 and name HB2) (resid 112 and name HE2)
    or (resid 73 and name HB1) (resid 112 and name HE1)
    or (resid 73 and name HB1) (resid 112 and name HE2)
    or (resid 73 and name HB3) (resid 112 and name HE1)
    or (resid 73 and name HB3) (resid 112 and name HE2)
assign (resid 75 and name HD12) (resid 72 and name HN) 3.519 1.548 1.548 weight 1.000 ! spec=HCH, no=2400, id=5381, vol=6.750000e+06
    or (resid 75 and name HD11) (resid 72 and name HN)
    or (resid 75 and name HD13) (resid 72 and name HN)
    or (resid 75 and name HD12) (resid 78 and name HN)
    or (resid 75 and name HD11) (resid 78 and name HN)
    or (resid 75 and name HD13) (resid 78 and name HN)
assign (resid 75 and name HG22) (resid 131 and name HG) 2.733 0.934 0.934 weight 1.000 ! spec=HCH, no=2439, id=5417, vol=3.070000e+07
    or (resid 75 and name HG21) (resid 131 and name HG)
    or (resid 75 and name HG23) (resid 131 and name HG)
    or (resid 75 and name HG22) (resid 64 and name HG11)
    or (resid 75 and name HG21) (resid 64 and name HG11)
    or (resid 75 and name HG23) (resid 64 and name HG11)
assign (resid 75 and name HG22) (resid 79 and name HG) 2.541 0.807 0.807 weight 1.000 ! spec=HCH, no=2443, id=5421, vol=4.760000e+07
    or (resid 75 and name HG21) (resid 79 and name HG)
    or (resid 75 and name HG23) (resid 79 and name HG)
    or (resid 75 and name HG22) (resid 152 and name HB1)
    or (resid 75 and name HG21) (resid 152 and name HB1)
    or (resid 75 and name HG23) (resid 152 and name HB1)
assign (resid 76 and name HA) (resid 131 and name HG) 3.058 1.169 1.169 weight 1.000 ! spec=HCH, no=2465, id=5443, vol=1.570000e+07
    or (resid 76 and name HA) (resid 79 and name HB2)
assign (resid 76 and name HB1) (resid 133 and name HA) 3.610 1.629 1.629 weight 1.000 ! spec=HCH, no=2479, id=5456, vol=5.800000e+06
    or (resid 76 and name HB1) (resid 136 and name HA2)
assign (resid 76 and name HD12) (resid 131 and name HA) 3.317 1.376 1.376 weight 1.000 ! spec=HCH, no=2506, id=5479, vol=9.620000e+06
    or (resid 76 and name HD11) (resid 131 and name HA)
    or (resid 76 and name HD13) (resid 131 and name HA)
    or (resid 76 and name HD12) (resid 135 and name HA)
    or (resid 76 and name HD11) (resid 135 and name HA)
    or (resid 76 and name HD13) (resid 135 and name HA)
assign (resid 76 and name HD12) (resid 74 and name HB1) 3.530 1.557 1.557 weight 1.000 ! spec=HCH, no=2513, id=5485, vol=6.630000e+06
    or (resid 76 and name HD11) (resid 74 and name HB1)
    or (resid 76 and name HD13) (resid 74 and name HB1)
    or (resid 76 and name HD12) (resid 88 and name HB2)
    or (resid 76 and name HD12) (resid 88 and name HB1)
    or (resid 76 and name HD11) (resid 88 and name HB2)
    or (resid 76 and name HD11) (resid 88 and name HB1)
    or (resid 76 and name HD13) (resid 88 and name HB2)
    or (resid 76 and name HD13) (resid 88 and name HB1)
assign (resid 78 and name HA) (resid 81 and name HD2) 3.092 1.195 1.195 weight 1.000 ! spec=HCH, no=2620, id=5587, vol=1.470000e+07
    or (resid 78 and name HA) (resid 81 and name HD1)
    or (resid 78 and name HA) (resid 82 and name HB2)
assign (resid 78 and name HB) (resid 81 and name HB2) 3.634 1.651 1.651 weight 1.000 ! spec=HCH, no=2630, id=5596, vol=5.570000e+06
    or (resid 78 and name HB) (resid 82 and name HB1)
    or (resid 78 and name HB) (resid 79 and name HG)
assign (resid 78 and name HG21) (resid 81 and name HE2) 3.393 1.439 1.439 weight 1.000 ! spec=HCH, no=2637, id=5602, vol=8.410000e+06
    or (resid 78 and name HG21) (resid 81 and name HE1)
    or (resid 78 and name HG22) (resid 81 and name HE2)
    or (resid 78 and name HG22) (resid 81 and name HE1)
    or (resid 78 and name HG23) (resid 81 and name HE2)
    or (resid 78 and name HG23) (resid 81 and name HE1)
    or (resid 75 and name HA) (resid 78 and name HG21)
    or (resid 75 and name HA) (resid 78 and name HG22)
    or (resid 75 and name HA) (resid 78 and name HG23)
assign (resid 83 and name HN) (resid 78 and name HG21) 3.368 1.418 1.418 weight 1.000 ! spec=HCH, no=2648, id=5612, vol=8.790000e+06
    or (resid 83 and name HN) (resid 78 and name HG22)
    or (resid 83 and name HN) (resid 78 and name HG23)
    or (resid 82 and name HN) (resid 78 and name HG21)
    or (resid 82 and name HN) (resid 78 and name HG22)
    or (resid 82 and name HN) (resid 78 and name HG23)
assign (resid 79 and name HD12) (resid 83 and name HA) 3.269 1.336 1.336 weight 1.000 ! spec=HCH, no=2690, id=5653, vol=1.050000e+07
    or (resid 79 and name HD11) (resid 83 and name HA)
    or (resid 79 and name HD13) (resid 83 and name HA)
    or (resid 79 and name HD12) (resid 89 and name HA)
    or (resid 79 and name HD11) (resid 89 and name HA)
    or (resid 79 and name HD13) (resid 89 and name HA)
assign (resid 79 and name HD12) (resid 40 and name HN) 3.766 1.773 1.773 weight 1.000 ! spec=HCH, no=2696, id=5658, vol=4.490000e+06
    or (resid 79 and name HD11) (resid 40 and name HN)
    or (resid 79 and name HD13) (resid 40 and name HN)
    or (resid 79 and name HD12) (resid 152 and name HN)
    or (resid 79 and name HD11) (resid 152 and name HN)
    or (resid 79 and name HD13) (resid 152 and name HN)
assign (resid 79 and name HD22) (resid 80 and name HN) 3.402 1.447 1.447 weight 1.000 ! spec=HCH, no=2737, id=5699, vol=8.270000e+06
    or (resid 79 and name HD21) (resid 80 and name HN)
    or (resid 79 and name HD23) (resid 80 and name HN)
    or (resid 78 and name HN) (resid 79 and name HD22)
    or (resid 78 and name HN) (resid 79 and name HD21)
    or (resid 78 and name HN) (resid 79 and name HD23)
assign (resid 83 and name HB2) (resid 79 and name HB2) 3.468 1.504 1.504 weight 1.000 ! spec=HCH, no=2938, id=5889, vol=7.370000e+06
    or (resid 83 and name HB2) (resid 84 and name HG2)
    or (resid 83 and name HB2) (resid 84 and name HG1)
assign (resid 86 and name HD2) (resid 89 and name HD12) 3.195 1.276 1.276 weight 1.000 ! spec=HCH, no=3056, id=5998, vol=1.200000e+07
    or (resid 86 and name HD2) (resid 89 and name HD11)
    or (resid 86 and name HD2) (resid 89 and name HD13)
    or (resid 86 and name HD2) (resid 133 and name HD12)
    or (resid 86 and name HD2) (resid 133 and name HD11)
    or (resid 86 and name HD2) (resid 133 and name HD13)
assign (resid 86 and name HD1) (resid 89 and name HD12) 3.304 1.364 1.364 weight 1.000 ! spec=HCH, no=3057, id=5999, vol=9.860000e+06
    or (resid 86 and name HD1) (resid 89 and name HD11)
    or (resid 86 and name HD1) (resid 89 and name HD13)
    or (resid 86 and name HD1) (resid 133 and name HD12)
    or (resid 86 and name HD1) (resid 133 and name HD11)
    or (resid 86 and name HD1) (resid 133 and name HD13)
assign (resid 86 and name HG1) (resid 88 and name HN) 3.654 1.669 1.669 weight 1.000 ! spec=HCH, no=3089, id=6031, vol=5.380000e+06
    or (resid 86 and name HG1) (resid 85 and name HN)
assign (resid 86 and name HG1) (resid 84 and name HD2) 3.955 1.955 1.955 weight 1.000 ! spec=HCH, no=3093, id=6035, vol=3.350000e+06
    or (resid 86 and name HG1) (resid 84 and name HD1)
    or (resid 86 and name HG1) (resid 90 and name HB1)
assign (resid 89 and name HG22) (resid 86 and name HB1) 3.242 1.314 1.314 weight 1.000 ! spec=HCH, no=3232, id=6163, vol=1.100000e+07
    or (resid 89 and name HG21) (resid 86 and name HB1)
    or (resid 89 and name HG23) (resid 86 and name HB1)
    or (resid 89 and name HG22) (resid 88 and name HB2)
    or (resid 89 and name HG22) (resid 88 and name HB1)
    or (resid 89 and name HG21) (resid 88 and name HB2)
    or (resid 89 and name HG21) (resid 88 and name HB1)
    or (resid 89 and name HG23) (resid 88 and name HB2)
    or (resid 89 and name HG23) (resid 88 and name HB1)
assign (resid 90 and name HD22) (resid 49 and name HG11) 2.981 1.111 1.111 weight 1.000 ! spec=HCH, no=3367, id=6292, vol=1.830000e+07
    or (resid 90 and name HD21) (resid 49 and name HG11)
    or (resid 90 and name HD23) (resid 49 and name HG11)
    or (resid 90 and name HD22) (resid 93 and name HG2)
    or (resid 90 and name HD22) (resid 93 and name HG1)
    or (resid 90 and name HD21) (resid 93 and name HG2)
    or (resid 90 and name HD21) (resid 93 and name HG1)
    or (resid 90 and name HD23) (resid 93 and name HG2)
    or (resid 90 and name HD23) (resid 93 and name HG1)
assign (resid 91 and name HD22) (resid 115 and name HZ3) 3.326 1.382 1.382 weight 1.000 ! spec=HCH, no=3472, id=6386, vol=9.480000e+06
    or (resid 91 and name HD21) (resid 115 and name HZ3)
    or (resid 91 and name HD23) (resid 115 and name HZ3)
    or (resid 91 and name HD22) (resid 115 and name HZ2)
    or (resid 91 and name HD21) (resid 115 and name HZ2)
    or (resid 91 and name HD23) (resid 115 and name HZ2)
assign (resid 130 and name HN) (resid 91 and name HD22) 2.835 1.005 1.005 weight 1.000 ! spec=HCH, no=3503, id=6417, vol=2.470000e+07
    or (resid 130 and name HN) (resid 91 and name HD21)
    or (resid 130 and name HN) (resid 91 and name HD23)
    or (resid 131 and name HN) (resid 91 and name HD22)
    or (resid 131 and name HN) (resid 91 and name HD21)
    or (resid 131 and name HN) (resid 91 and name HD23)
assign (resid 64 and name HG22) (resid 92 and name HA1) 3.336 1.391 1.391 weight 1.000 ! spec=HCH, no=3551, id=6463, vol=9.310000e+06
    or (resid 64 and name HG21) (resid 92 and name HA1)
    or (resid 64 and name HG23) (resid 92 and name HA1)
    or (resid 92 and name HA1) (resid 91 and name HB2)
assign (resid 94 and name HB1) (resid 105 and name HZ) 3.224 1.299 1.299 weight 1.000 ! spec=HCH, no=3635, id=6541, vol=1.140000e+07
    or (resid 94 and name HB1) (resid 105 and name HE1)
    or (resid 94 and name HB1) (resid 105 and name HE2)
assign (resid 101 and name HB2) (resid 103 and name HG2) 3.432 1.472 1.472 weight 1.000 ! spec=HCH, no=3946, id=6829, vol=7.850000e+06
    or (resid 101 and name HB1) (resid 103 and name HG2)
assign (resid 113 and name HA) (resid 112 and name HE1) 3.402 1.446 1.446 weight 1.000 ! spec=HCH, no=4230, id=7096, vol=8.280000e+06
    or (resid 113 and name HA) (resid 112 and name HE2)
    or (resid 113 and name HA) (resid 115 and name HD1)
assign (resid 125 and name HB) (resid 142 and name HD21) 3.840 1.843 1.843 weight 1.000 ! spec=HCH, no=4684, id=7528, vol=4.000000e+06
    or (resid 127 and name HN) (resid 125 and name HB)
assign (resid 125 and name HG12) (resid 128 and name HA) 3.974 1.974 1.974 weight 1.000 ! spec=HCH, no=4701, id=7544, vol=3.250000e+06
    or (resid 125 and name HG11) (resid 128 and name HA)
    or (resid 125 and name HG13) (resid 128 and name HA)
    or (resid 125 and name HG12) (resid 142 and name HA)
    or (resid 125 and name HG11) (resid 142 and name HA)
    or (resid 125 and name HG13) (resid 142 and name HA)
assign (resid 125 and name HG22) (resid 128 and name HA) 3.865 1.868 1.868 weight 1.000 ! spec=HCH, no=4763, id=7600, vol=3.840000e+06
    or (resid 125 and name HG21) (resid 128 and name HA)
    or (resid 125 and name HG23) (resid 128 and name HA)
    or (resid 125 and name HG22) (resid 142 and name HA)
    or (resid 125 and name HG21) (resid 142 and name HA)
    or (resid 125 and name HG23) (resid 142 and name HA)
assign (resid 131 and name HD12) (resid 88 and name HB2) 3.212 1.290 1.290 weight 1.000 ! spec=HCH, no=4976, id=7801, vol=1.170000e+07
    or (resid 131 and name HD12) (resid 88 and name HB1)
    or (resid 131 and name HD11) (resid 88 and name HB2)
    or (resid 131 and name HD11) (resid 88 and name HB1)
    or (resid 131 and name HD13) (resid 88 and name HB2)
    or (resid 131 and name HD13) (resid 88 and name HB1)
    or (resid 131 and name HD12) (resid 138 and name HB2)
    or (resid 131 and name HD11) (resid 138 and name HB2)
    or (resid 131 and name HD13) (resid 138 and name HB2)
assign (resid 131 and name HD12) (resid 137 and name HG1) 3.267 1.334 1.334 weight 1.000 ! spec=HCH, no=4994, id=7816, vol=1.050000e+07
    or (resid 131 and name HD11) (resid 137 and name HG1)
    or (resid 131 and name HD13) (resid 137 and name HG1)
    or (resid 131 and name HD12) (resid 137 and name HB2)
    or (resid 131 and name HD11) (resid 137 and name HB2)
    or (resid 131 and name HD13) (resid 137 and name HB2)
assign (resid 131 and name HD22) (resid 88 and name HB2) 3.537 1.564 1.564 weight 1.000 ! spec=HCH, no=5028, id=7850, vol=6.540000e+06
    or (resid 131 and name HD22) (resid 88 and name HB1)
    or (resid 131 and name HD21) (resid 88 and name HB2)
    or (resid 131 and name HD21) (resid 88 and name HB1)
    or (resid 131 and name HD23) (resid 88 and name HB2)
    or (resid 131 and name HD23) (resid 88 and name HB1)
    or (resid 131 and name HD22) (resid 138 and name HB2)
    or (resid 131 and name HD21) (resid 138 and name HB2)
    or (resid 131 and name HD23) (resid 138 and name HB2)
assign (resid 131 and name HD22) (resid 91 and name HA) 3.567 1.591 1.591 weight 1.000 ! spec=HCH, no=5039, id=7860, vol=6.220000e+06
    or (resid 131 and name HD21) (resid 91 and name HA)
    or (resid 131 and name HD23) (resid 91 and name HA)
    or (resid 131 and name HD22) (resid 137 and name HA)
    or (resid 131 and name HD21) (resid 137 and name HA)
    or (resid 131 and name HD23) (resid 137 and name HA)
assign (resid 132 and name HA) (resid 131 and name HB1) 3.831 1.835 1.835 weight 1.000 ! spec=HCH, no=5081, id=7902, vol=4.050000e+06
    or (resid 132 and name HA) (resid 134 and name HB2)
    or (resid 132 and name HA) (resid 134 and name HB1)
assign (resid 134 and name HA) (resid 76 and name HG) 3.157 1.246 1.246 weight 1.000 ! spec=HCH, no=5195, id=8008, vol=1.300000e+07
    or (resid 134 and name HA) (resid 133 and name HB)
assign (resid 137 and name HB1) (resid 114 and name HE2) 3.704 1.715 1.715 weight 1.000 ! spec=HCH, no=5317, id=8122, vol=4.960000e+06
    or (resid 132 and name HB2) (resid 137 and name HB1)
assign (resid 138 and name HA) (resid 116 and name HG21) 3.386 1.433 1.433 weight 1.000 ! spec=HCH, no=5343, id=8148, vol=8.510000e+06
    or (resid 138 and name HA) (resid 116 and name HG22)
    or (resid 138 and name HA) (resid 116 and name HG23)
    or (resid 138 and name HA) (resid 131 and name HG)
assign (resid 138 and name HB1) (resid 91 and name HA) 3.875 1.877 1.877 weight 1.000 ! spec=HCH, no=5364, id=8168, vol=3.780000e+06
    or (resid 138 and name HB1) (resid 137 and name HA)
assign (resid 140 and name HB1) (resid 124 and name HD22) 3.273 1.339 1.339 weight 1.000 ! spec=HCH, no=5477, id=8279, vol=1.040000e+07
    or (resid 140 and name HB1) (resid 124 and name HD21)
    or (resid 140 and name HB1) (resid 124 and name HD23)
    or (resid 140 and name HB1) (resid 124 and name HD12)
    or (resid 140 and name HB1) (resid 124 and name HD11)
    or (resid 140 and name HB1) (resid 124 and name HD13)
assign (resid 142 and name HA) (resid 90 and name HD22) 3.292 1.354 1.354 weight 1.000 ! spec=HCH, no=5564, id=8363, vol=1.010000e+07
    or (resid 142 and name HA) (resid 90 and name HD21)
    or (resid 142 and name HA) (resid 90 and name HD23)
    or (resid 124 and name HD22) (resid 142 and name HA)
    or (resid 124 and name HD21) (resid 142 and name HA)
    or (resid 124 and name HD23) (resid 142 and name HA)
assign (resid 49 and name HG22) (resid 143 and name HB2) 3.407 1.451 1.451 weight 1.000 ! spec=HCH, no=5594, id=8390, vol=8.190000e+06
    or (resid 49 and name HG21) (resid 143 and name HB2)
    or (resid 49 and name HG23) (resid 143 and name HB2)
    or (resid 49 and name HD12) (resid 143 and name HB2)
    or (resid 49 and name HD11) (resid 143 and name HB2)
    or (resid 49 and name HD13) (resid 143 and name HB2)
assign (resid 150 and name HA2) (resid 41 and name HB1) 3.222 1.298 1.298 weight 1.000 ! spec=HCH, no=5858, id=8638, vol=1.150000e+07
    or (resid 41 and name HG1) (resid 150 and name HA2)
assign (resid 150 and name HA1) (resid 41 and name HB1) 3.284 1.348 1.348 weight 1.000 ! spec=HCH, no=5860, id=8640, vol=1.020000e+07
    or (resid 41 and name HG1) (resid 150 and name HA1)
assign (resid 151 and name HG21) (resid 56 and name HB1) 3.439 1.479 1.479 weight 1.000 ! spec=HCH, no=5896, id=8673, vol=7.750000e+06
    or (resid 151 and name HG22) (resid 56 and name HB1)
    or (resid 151 and name HG23) (resid 56 and name HB1)
    or (resid 151 and name HG21) (resid 153 and name HB1)
    or (resid 151 and name HG22) (resid 153 and name HB1)
    or (resid 151 and name HG23) (resid 153 and name HB1)
assign (resid 151 and name HG21) (resid 152 and name HA) 3.299 1.361 1.361 weight 1.000 ! spec=HCH, no=5914, id=8691, vol=9.940000e+06
    or (resid 151 and name HG22) (resid 152 and name HA)
    or (resid 151 and name HG23) (resid 152 and name HA)
    or (resid 64 and name HG22) (resid 152 and name HA)
    or (resid 64 and name HG21) (resid 152 and name HA)
    or (resid 64 and name HG23) (resid 152 and name HA)
assign (resid 152 and name HD12) (resid 74 and name HD1) 4.049 2.049 2.049 weight 1.000 ! spec=HCH, no=5958, id=8733, vol=2.910000e+06
    or (resid 152 and name HD12) (resid 74 and name HD2)
    or (resid 152 and name HD11) (resid 74 and name HD1)
    or (resid 152 and name HD11) (resid 74 and name HD2)
    or (resid 152 and name HD13) (resid 74 and name HD1)
    or (resid 152 and name HD13) (resid 74 and name HD2)
    or (resid 152 and name HD12) (resid 74 and name HE2)
    or (resid 152 and name HD11) (resid 74 and name HE2)
    or (resid 152 and name HD13) (resid 74 and name HE2)
assign (resid 64 and name HN) (resid 152 and name HD12) 3.512 1.542 1.542 weight 1.000 ! spec=HCH, no=5964, id=8739, vol=6.830000e+06
    or (resid 64 and name HN) (resid 152 and name HD11)
    or (resid 64 and name HN) (resid 152 and name HD13)
    or (resid 152 and name HD12) (resid 79 and name HN)
    or (resid 152 and name HD11) (resid 79 and name HN)
    or (resid 152 and name HD13) (resid 79 and name HN)
assign (resid 64 and name HN) (resid 152 and name HD22) 3.375 1.424 1.424 weight 1.000 ! spec=HCH, no=6002, id=8777, vol=8.670000e+06
    or (resid 64 and name HN) (resid 152 and name HD21)
    or (resid 64 and name HN) (resid 152 and name HD23)
    or (resid 152 and name HD22) (resid 79 and name HN)
    or (resid 152 and name HD21) (resid 79 and name HN)
    or (resid 152 and name HD23) (resid 79 and name HN)
assign (resid 64 and name HG22) (resid 153 and name HA) 3.226 1.301 1.301 weight 1.000 ! spec=HCH, no=6048, id=8820, vol=1.140000e+07
    or (resid 64 and name HG21) (resid 153 and name HA)
    or (resid 64 and name HG23) (resid 153 and name HA)
    or (resid 151 and name HG21) (resid 153 and name HA)
    or (resid 151 and name HG22) (resid 153 and name HA)
    or (resid 151 and name HG23) (resid 153 and name HA)
assign (resid 153 and name HA) (resid 64 and name HB) 3.398 1.443 1.443 weight 1.000 ! spec=HCH, no=6056, id=8828, vol=8.330000e+06
    or (resid 153 and name HA) (resid 152 and name HB1)
assign (resid 157 and name HB) (resid 157 and name HG22) 2.288 0.654 0.654 weight 1.000 ! spec=HCH, no=6248, id=9012, vol=8.950000e+07
    or (resid 157 and name HB) (resid 157 and name HG21)
    or (resid 157 and name HB) (resid 157 and name HG23)
    or (resid 157 and name HB) (resid 157 and name HD12)
    or (resid 157 and name HB) (resid 157 and name HD11)
    or (resid 157 and name HB) (resid 157 and name HD13)
assign (resid 32 and name HN) (resid 157 and name HD12) 3.510 1.540 1.540 weight 1.000 ! spec=HCH, no=6257, id=9020, vol=6.860000e+06
    or (resid 32 and name HN) (resid 157 and name HD11)
    or (resid 32 and name HN) (resid 157 and name HD13)
    or (resid 157 and name HD12) (resid 36 and name HN)
    or (resid 157 and name HD11) (resid 36 and name HN)
    or (resid 157 and name HD13) (resid 36 and name HN)
assign (resid 158 and name HA) (resid 157 and name HG22) 3.546 1.572 1.572 weight 1.000 ! spec=HCH, no=6321, id=9082, vol=6.450000e+06
    or (resid 158 and name HA) (resid 157 and name HG21)
    or (resid 158 and name HA) (resid 157 and name HG23)
    or (resid 158 and name HA) (resid 157 and name HD12)
    or (resid 158 and name HA) (resid 157 and name HD11)
    or (resid 158 and name HA) (resid 157 and name HD13)
assign (resid 29 and name HD1) (resid 24 and name HB2) 3.357 1.409 1.409 weight 1.000 ! spec=HCHaro, no=10, id=9211, vol=4.750000e+06
    or (resid 29 and name HD1) (resid 24 and name HB1)
assign (resid 29 and name HZ2) (resid 82 and name HE21) 2.937 1.078 1.078 weight 1.000 ! spec=HCHaro, no=46, id=9243, vol=1.060000e+07
    or (resid 29 and name HZ2) (resid 31 and name HE21)
    or (resid 29 and name HZ2) (resid 52 and name HN)
assign (resid 29 and name HZ2) (resid 25 and name HG1) 2.882 1.038 1.038 weight 1.000 ! spec=HCHaro, no=47, id=9244, vol=1.190000e+07
    or (resid 61 and name HB2) (resid 29 and name HZ2)
    or (resid 61 and name HB1) (resid 29 and name HZ2)
    or (resid 61 and name HB3) (resid 29 and name HZ2)
assign (resid 37 and name HD1) (resid 29 and name HZ3) 3.252 1.322 1.322 weight 1.000 ! spec=HCHaro, no=133, id=9327, vol=5.750000e+06
    or (resid 32 and name HD1) (resid 37 and name HD1)
    or (resid 37 and name HD1) (resid 32 and name HD2)
assign (resid 59 and name HE1) (resid 59 and name HD2) 3.281 1.345 1.345 weight 1.000 ! spec=HCHaro, no=215, id=9406, vol=5.460000e+06
    or (resid 59 and name HE1) (resid 59 and name HN)
assign (resid 59 and name HE1) (resid 42 and name HG2) 3.661 1.675 1.675 weight 1.000 ! spec=HCHaro, no=220, id=9411, vol=2.830000e+06
    or (resid 59 and name HE1) (resid 42 and name HG1)
    or (resid 59 and name HE1) (resid 55 and name HB2)
assign (resid 74 and name HD1) (resid 72 and name HN) 3.773 1.779 1.779 weight 1.000 ! spec=HCHaro, no=253, id=9441, vol=2.360000e+06
    or (resid 78 and name HN) (resid 74 and name HD1)
assign (resid 74 and name HE2) (resid 37 and name HB1) 3.563 1.587 1.587 weight 1.000 ! spec=HCHaro, no=281, id=9468, vol=3.330000e+06
    or (resid 74 and name HE2) (resid 78 and name HB)
assign (resid 83 and name HD1) (resid 82 and name HB1) 3.451 1.489 1.489 weight 1.000 ! spec=HCHaro, no=324, id=9508, vol=4.030000e+06
    or (resid 83 and name HD1) (resid 30 and name HG11)
assign (resid 30 and name HB) (resid 83 and name HZ2) 2.826 0.998 0.998 weight 1.000 ! spec=HCHaro, no=372, id=9552, vol=1.340000e+07
    or (resid 83 and name HZ2) (resid 82 and name HG2)
assign (resid 93 and name HB2) (resid 94 and name HD1) 3.052 1.164 1.164 weight 1.000 ! spec=HCHaro, no=407, id=9585, vol=8.420000e+06
    or (resid 94 and name HD1) (resid 103 and name HB1)
assign (resid 96 and name HB1) (resid 95 and name HD1) 3.280 1.344 1.344 weight 1.000 ! spec=HCHaro, no=458, id=9632, vol=5.470000e+06
    or (resid 95 and name HD1) (resid 102 and name HB1)
assign (resid 102 and name HD1) (resid 49 and name HG22) 3.509 1.539 1.539 weight 1.000 ! spec=HCHaro, no=506, id=9675, vol=3.650000e+06
    or (resid 102 and name HD1) (resid 49 and name HG21)
    or (resid 102 and name HD1) (resid 49 and name HG23)
    or (resid 102 and name HD1) (resid 49 and name HD12)
    or (resid 102 and name HD1) (resid 49 and name HD11)
    or (resid 102 and name HD1) (resid 49 and name HD13)
assign (resid 104 and name HZ2) (resid 65 and name HA) 3.381 1.429 1.429 weight 1.000 ! spec=HCHaro, no=603, id=9766, vol=4.560000e+06
    or (resid 104 and name HZ2) (resid 110 and name HG1)
assign (resid 138 and name HE1) (resid 112 and name HD1) 3.659 1.674 1.674 weight 1.000 ! spec=HCHaro, no=664, id=9823, vol=2.840000e+06
    or (resid 112 and name HD1) (resid 104 and name HE1)
assign (resid 115 and name HH2) (resid 115 and name HZ3) 2.019 0.509 0.509 weight 1.000 ! spec=HCHaro, no=723, id=9880, vol=1.010000e+08
    or (resid 115 and name HH2) (resid 115 and name HZ2)
assign (resid 138 and name HD1) (resid 137 and name HB2) 3.402 1.447 1.447 weight 1.000 ! spec=HCHaro, no=845, id=9996, vol=4.390000e+06
    or (resid 138 and name HD1) (resid 137 and name HG1)
assign (resid 138 and name HD1) (resid 114 and name HN) 3.430 1.470 1.470 weight 1.000 ! spec=HCHaro, no=855, id=10005, vol=4.180000e+06
    or (resid 138 and name HD1) (resid 132 and name HB2)
assign (resid 159 and name HD1) (resid 157 and name HG11) 3.378 1.426 1.426 weight 1.000 ! spec=HCHaro, no=946, id=10089, vol=4.580000e+06
    or (resid 159 and name HD1) (resid 160 and name HG2)
    or (resid 159 and name HD1) (resid 160 and name HG1)
assign (resid 29 and name HE1) (resid 26 and name HB2) 3.504 1.535 1.535 weight 1.000 ! spec=HNH, no=78, id=72, vol=1.170000e+07
    or (resid 29 and name HE1) (resid 28 and name HB)
assign (resid 31 and name HN) (resid 31 and name HE21) 4.125 2.126 2.126 weight 1.000 ! spec=HNH, no=133, id=125, vol=4.400000e+06
    or (resid 31 and name HN) (resid 82 and name HE21)
assign (resid 31 and name HN) (resid 29 and name HB2) 4.167 2.170 2.170 weight 1.000 ! spec=HNH, no=136, id=127, vol=4.140000e+06
    or (resid 31 and name HN) (resid 29 and name HB1)
    or (resid 31 and name HN) (resid 37 and name HB1)
assign (resid 31 and name HN) (resid 29 and name HE3) 4.429 2.452 2.452 weight 1.000 ! spec=HNH, no=144, id=135, vol=2.870000e+06
    or (resid 31 and name HN) (resid 31 and name HE22)
assign (resid 31 and name HE22) (resid 23 and name HA) 3.501 1.532 1.532 weight 1.000 ! spec=HNH, no=168, id=157, vol=1.180000e+07
    or (resid 31 and name HE22) (resid 34 and name HA)
assign (resid 32 and name HN) (resid 34 and name HB2) 4.306 2.318 2.318 weight 1.000 ! spec=HNH, no=205, id=188, vol=3.400000e+06
    or (resid 32 and name HN) (resid 34 and name HB1)
    or (resid 32 and name HN) (resid 36 and name HB2)
assign (resid 32 and name HN) (resid 75 and name HA) 4.123 2.125 2.125 weight 1.000 ! spec=HNH, no=208, id=190, vol=4.410000e+06
    or (resid 32 and name HN) (resid 81 and name HE2)
    or (resid 32 and name HN) (resid 81 and name HE1)
assign (resid 32 and name HN) (resid 154 and name HG1) 4.071 2.071 2.071 weight 1.000 ! spec=HNH, no=210, id=192, vol=4.760000e+06
    or (resid 32 and name HN) (resid 33 and name HG2)
assign (resid 33 and name HN) (resid 31 and name HG2) 3.337 1.392 1.392 weight 1.000 ! spec=HNH, no=230, id=211, vol=1.570000e+07
    or (resid 33 and name HN) (resid 32 and name HB1)
assign (resid 36 and name HN) (resid 156 and name HB2) 3.510 1.540 1.540 weight 1.000 ! spec=HNH, no=333, id=310, vol=1.160000e+07
    or (resid 36 and name HN) (resid 156 and name HB1)
    or (resid 36 and name HN) (resid 156 and name HB3)
    or (resid 36 and name HN) (resid 157 and name HG11)
assign (resid 37 and name HN) (resid 30 and name HD12) 3.650 1.665 1.665 weight 1.000 ! spec=HNH, no=359, id=333, vol=9.170000e+06
    or (resid 37 and name HN) (resid 30 and name HD11)
    or (resid 37 and name HN) (resid 30 and name HD13)
    or (resid 37 and name HN) (resid 152 and name HD12)
    or (resid 37 and name HN) (resid 152 and name HD11)
    or (resid 37 and name HN) (resid 152 and name HD13)
assign (resid 38 and name HN) (resid 39 and name HN) 3.445 1.484 1.484 weight 1.000 ! spec=HNH, no=394, id=365, vol=1.300000e+07
    or (resid 38 and name HN) (resid 83 and name HH2)
assign (resid 39 and name HN) (resid 30 and name HB) 3.750 1.757 1.757 weight 1.000 ! spec=HNH, no=412, id=382, vol=7.790000e+06
    or (resid 39 and name HN) (resid 41 and name HG1)
assign (resid 40 and name HN) (resid 40 and name HB2) 2.437 0.742 0.742 weight 1.000 ! spec=HNH, no=425, id=393, vol=1.030000e+08
    or (resid 40 and name HN) (resid 40 and name HG)
assign (resid 41 and name HE21) (resid 80 and name HG1) 4.126 2.128 2.128 weight 1.000 ! spec=HNH, no=462, id=429, vol=4.390000e+06
    or (resid 41 and name HE21) (resid 152 and name HG)
assign (resid 41 and name HE21) (resid 86 and name HB2) 3.835 1.839 1.839 weight 1.000 ! spec=HNH, no=463, id=430, vol=6.810000e+06
    or (resid 41 and name HE21) (resid 39 and name HB2)
assign (resid 41 and name HE22) (resid 86 and name HB2) 4.035 2.035 2.035 weight 1.000 ! spec=HNH, no=476, id=443, vol=5.020000e+06
    or (resid 41 and name HE22) (resid 39 and name HB2)
assign (resid 43 and name HN) (resid 42 and name HG2) 3.047 1.161 1.161 weight 1.000 ! spec=HNH, no=512, id=476, vol=2.710000e+07
    or (resid 43 and name HN) (resid 42 and name HG1)
    or (resid 43 and name HN) (resid 149 and name HB1)
assign (resid 45 and name HN) (resid 47 and name HG2) 3.903 1.904 1.904 weight 1.000 ! spec=HNH, no=544, id=506, vol=6.130000e+06
    or (resid 45 and name HN) (resid 47 and name HG1)
    or (resid 45 and name HN) (resid 148 and name HB)
assign (resid 48 and name HN) (resid 45 and name HG1) 3.945 1.945 1.945 weight 1.000 ! spec=HNH, no=608, id=567, vol=5.750000e+06
    or (resid 48 and name HN) (resid 53 and name HG1)
assign (resid 53 and name HE) (resid 56 and name HB2) 3.823 1.827 1.827 weight 1.000 ! spec=HNH, no=752, id=702, vol=6.930000e+06
    or (resid 53 and name HE) (resid 62 and name HB2)
assign (resid 55 and name HE21) (resid 45 and name HN) 4.061 2.062 2.062 weight 1.000 ! spec=HNH, no=841, id=785, vol=4.830000e+06
    or (resid 55 and name HE21) (resid 54 and name HN)
assign (resid 64 and name HN) (resid 152 and name HD22) 3.389 1.436 1.436 weight 1.000 ! spec=HNH, no=1056, id=988, vol=1.430000e+07
    or (resid 64 and name HN) (resid 152 and name HD21)
    or (resid 64 and name HN) (resid 152 and name HD23)
    or (resid 64 and name HN) (resid 152 and name HD12)
    or (resid 64 and name HN) (resid 152 and name HD11)
    or (resid 64 and name HN) (resid 152 and name HD13)
assign (resid 65 and name HN) (resid 37 and name HD1) 4.366 2.383 2.383 weight 1.000 ! spec=HNH, no=1075, id=1006, vol=3.130000e+06
    or (resid 65 and name HN) (resid 37 and name HD2)
    or (resid 65 and name HN) (resid 67 and name HD2)
assign (resid 66 and name HN) (resid 67 and name HB2) 3.733 1.742 1.742 weight 1.000 ! spec=HNH, no=1099, id=1028, vol=8.010000e+06
    or (resid 66 and name HN) (resid 154 and name HE2)
    or (resid 66 and name HN) (resid 154 and name HE1)
assign (resid 68 and name HD21) (resid 69 and name HN) 3.592 1.612 1.612 weight 1.000 ! spec=HNH, no=1156, id=1082, vol=1.010000e+07
    or (resid 68 and name HD21) (resid 70 and name HN)
assign (resid 71 and name HN) (resid 73 and name HB2) 3.534 1.561 1.561 weight 1.000 ! spec=HNH, no=1206, id=1129, vol=1.110000e+07
    or (resid 71 and name HN) (resid 73 and name HB1)
    or (resid 71 and name HN) (resid 73 and name HB3)
    or (resid 71 and name HN) (resid 33 and name HG1)
assign (resid 72 and name HD21) (resid 69 and name HG2) 4.191 2.195 2.195 weight 1.000 ! spec=HNH, no=1255, id=1175, vol=4.000000e+06
    or (resid 72 and name HD21) (resid 74 and name HB2)
assign (resid 73 and name HN) (resid 76 and name HD22) 3.506 1.536 1.536 weight 1.000 ! spec=HNH, no=1318, id=1236, vol=1.170000e+07
    or (resid 73 and name HN) (resid 76 and name HD21)
    or (resid 73 and name HN) (resid 76 and name HD23)
    or (resid 73 and name HN) (resid 131 and name HD12)
    or (resid 73 and name HN) (resid 131 and name HD11)
    or (resid 73 and name HN) (resid 131 and name HD13)
assign (resid 73 and name HN) (resid 68 and name HN) 3.859 1.861 1.861 weight 1.000 ! spec=HNH, no=1319, id=1237, vol=6.560000e+06
    or (resid 73 and name HN) (resid 112 and name HD1)
    or (resid 73 and name HN) (resid 112 and name HD2)
assign (resid 72 and name HN) (resid 75 and name HN) 3.444 1.482 1.482 weight 1.000 ! spec=HNH, no=1364, id=1279, vol=1.300000e+07
    or (resid 75 and name HN) (resid 78 and name HN)
assign (resid 75 and name HN) (resid 37 and name HE1) 3.673 1.687 1.687 weight 1.000 ! spec=HNH, no=1367, id=1282, vol=8.820000e+06
    or (resid 75 and name HN) (resid 37 and name HE2)
    or (resid 75 and name HN) (resid 32 and name HE1)
    or (resid 75 and name HN) (resid 32 and name HE2)
assign (resid 77 and name HN) (resid 79 and name HB2) 3.836 1.839 1.839 weight 1.000 ! spec=HNH, no=1424, id=1335, vol=6.800000e+06
    or (resid 77 and name HN) (resid 80 and name HG2)
    or (resid 77 and name HN) (resid 131 and name HG)
assign (resid 77 and name HN) (resid 79 and name HD22) 3.422 1.464 1.464 weight 1.000 ! spec=HNH, no=1426, id=1337, vol=1.350000e+07
    or (resid 77 and name HN) (resid 79 and name HD21)
    or (resid 77 and name HN) (resid 79 and name HD23)
    or (resid 77 and name HN) (resid 131 and name HD22)
    or (resid 77 and name HN) (resid 131 and name HD21)
    or (resid 77 and name HN) (resid 131 and name HD23)
assign (resid 78 and name HN) (resid 74 and name HD1) 3.904 1.905 1.905 weight 1.000 ! spec=HNH, no=1446, id=1356, vol=6.120000e+06
    or (resid 78 and name HN) (resid 74 and name HD2)
    or (resid 78 and name HN) (resid 74 and name HE2)
assign (resid 83 and name HN) (resid 79 and name HB2) 3.655 1.670 1.670 weight 1.000 ! spec=HNH, no=1575, id=1477, vol=9.090000e+06
    or (resid 83 and name HN) (resid 84 and name HG2)
    or (resid 83 and name HN) (resid 84 and name HG1)
assign (resid 83 and name HE1) (resid 83 and name HZ3) 3.833 1.836 1.836 weight 1.000 ! spec=HNH, no=1619, id=1514, vol=6.840000e+06
    or (resid 83 and name HE1) (resid 39 and name HD1)
    or (resid 83 and name HE1) (resid 39 and name HD2)
assign (resid 83 and name HE1) (resid 82 and name HA) 4.043 2.043 2.043 weight 1.000 ! spec=HNH, no=1621, id=1516, vol=4.960000e+06
    or (resid 83 and name HE1) (resid 28 and name HA)
assign (resid 94 and name HN) (resid 94 and name HZ) 3.952 1.952 1.952 weight 1.000 ! spec=HNH, no=1845, id=1723, vol=5.690000e+06
    or (resid 94 and name HN) (resid 105 and name HE1)
    or (resid 94 and name HN) (resid 105 and name HE2)
    or (resid 94 and name HN) (resid 105 and name HZ)
assign (resid 96 and name HN) (resid 102 and name HN) 3.183 1.266 1.266 weight 1.000 ! spec=HNH, no=1891, id=1766, vol=2.080000e+07
    or (resid 96 and name HN) (resid 103 and name HN)
assign (resid 96 and name HN) (resid 95 and name HB1) 3.017 1.138 1.138 weight 1.000 ! spec=HNH, no=1898, id=1773, vol=2.870000e+07
    or (resid 96 and name HN) (resid 103 and name HE2)
assign (resid 96 and name HN) (resid 97 and name HB) 3.956 1.956 1.956 weight 1.000 ! spec=HNH, no=1900, id=1775, vol=5.650000e+06
    or (resid 96 and name HN) (resid 103 and name HA)
assign (resid 103 and name HN) (resid 93 and name HG2) 3.261 1.330 1.330 weight 1.000 ! spec=HNH, no=2023, id=1890, vol=1.800000e+07
    or (resid 103 and name HN) (resid 93 and name HG1)
    or (resid 103 and name HN) (resid 103 and name HD1)
assign (resid 105 and name HN) (resid 63 and name HB1) 3.782 1.788 1.788 weight 1.000 ! spec=HNH, no=2086, id=1949, vol=7.400000e+06
    or (resid 105 and name HN) (resid 106 and name HB2)
assign (resid 106 and name HN) (resid 93 and name HB2) 3.987 1.987 1.987 weight 1.000 ! spec=HNH, no=2106, id=1968, vol=5.390000e+06
    or (resid 106 and name HN) (resid 93 and name HE2)
    or (resid 106 and name HN) (resid 93 and name HE1)
    or (resid 106 and name HN) (resid 93 and name HE3)
assign (resid 115 and name HE1) (resid 115 and name HB1) 3.424 1.465 1.465 weight 1.000 ! spec=HNH, no=2275, id=2124, vol=1.340000e+07
    or (resid 115 and name HE1) (resid 113 and name HA)
assign (resid 118 and name HE22) (resid 118 and name HA) 3.998 1.998 1.998 weight 1.000 ! spec=HNH, no=2346, id=2189, vol=5.310000e+06
    or (resid 118 and name HE22) (resid 141 and name HA1)
assign (resid 130 and name HN) (resid 91 and name HB1) 3.542 1.569 1.569 weight 1.000 ! spec=HNH, no=2549, id=2379, vol=1.100000e+07
    or (resid 130 and name HN) (resid 139 and name HG1)
assign (resid 131 and name HN) (resid 133 and name HA) 4.505 2.537 2.537 weight 1.000 ! spec=HNH, no=2581, id=2408, vol=2.590000e+06
    or (resid 131 and name HN) (resid 136 and name HA2)
assign (resid 131 and name HN) (resid 91 and name HG) 2.861 1.023 1.023 weight 1.000 ! spec=HNH, no=2589, id=2414, vol=3.950000e+07
    or (resid 131 and name HN) (resid 131 and name HG)
assign (resid 132 and name HN) (resid 130 and name HA) 4.119 2.121 2.121 weight 1.000 ! spec=HNH, no=2617, id=2441, vol=4.440000e+06
    or (resid 132 and name HN) (resid 139 and name HA)
assign (resid 137 and name HN) (resid 131 and name HG) 3.073 1.181 1.181 weight 1.000 ! spec=HNH, no=2763, id=2577, vol=2.570000e+07
    or (resid 137 and name HN) (resid 135 and name HG21)
    or (resid 137 and name HN) (resid 135 and name HG22)
    or (resid 137 and name HN) (resid 135 and name HG23)
assign (resid 138 and name HN) (resid 114 and name HE2) 3.408 1.452 1.452 weight 1.000 ! spec=HNH, no=2783, id=2596, vol=1.380000e+07
    or (resid 114 and name HN) (resid 138 and name HN)
assign (resid 138 and name HN) (resid 115 and name HB2) 3.609 1.628 1.628 weight 1.000 ! spec=HNH, no=2784, id=2597, vol=9.810000e+06
    or (resid 138 and name HN) (resid 114 and name HE1)
assign (resid 138 and name HE1) (resid 137 and name HB2) 4.089 2.090 2.090 weight 1.000 ! spec=HNH, no=2817, id=2629, vol=4.630000e+06
    or (resid 138 and name HE1) (resid 137 and name HG2)
assign (resid 140 and name HN) (resid 115 and name HE3) 3.333 1.388 1.388 weight 1.000 ! spec=HNH, no=2881, id=2690, vol=1.580000e+07
    or (resid 118 and name HE21) (resid 140 and name HN)
assign (resid 142 and name HD21) (resid 49 and name HB) 3.688 1.700 1.700 weight 1.000 ! spec=HNH, no=2957, id=2759, vol=8.610000e+06
    or (resid 142 and name HD21) (resid 144 and name HB1)
assign (resid 152 and name HN) (resid 64 and name HA) 3.776 1.783 1.783 weight 1.000 ! spec=HNH, no=3138, id=2926, vol=7.470000e+06
    or (resid 152 and name HN) (resid 150 and name HA2)
assign (resid 152 and name HN) (resid 152 and name HD22) 2.965 1.099 1.099 weight 1.000 ! spec=HNH, no=3141, id=2929, vol=3.190000e+07
    or (resid 152 and name HN) (resid 152 and name HD21)
    or (resid 152 and name HN) (resid 152 and name HD23)
    or (resid 152 and name HN) (resid 152 and name HD12)
    or (resid 152 and name HN) (resid 152 and name HD11)
    or (resid 152 and name HN) (resid 152 and name HD13)
assign (resid 155 and name HN) (resid 153 and name HB1) 3.392 1.438 1.438 weight 1.000 ! spec=HNH, no=3214, id=2997, vol=1.420000e+07
    or (resid 155 and name HN) (resid 154 and name HE2)
    or (resid 155 and name HN) (resid 154 and name HE1)
! 1. c 24 Phi -69.29 +/- 28.81 (-98.10 to -40.48)

assign (resid 23 and name C) (resid 24 and name N)
       (resid 24 and name CA) (resid 24 and name C) 1.0 -69.29 28.81 2

! 2. P 25 Phi -61.70 +/- 20.00 (-81.70 to -41.70)

assign (resid 24 and name C) (resid 25 and name N)
       (resid 25 and name CA) (resid 25 and name C) 1.0 -61.70 20.00 2

! 3. S 26 Phi -151.56 +/- 24.77 (-176.34 to -126.79)

assign (resid 25 and name C) (resid 26 and name N)
       (resid 26 and name CA) (resid 26 and name C) 1.0 -151.56 24.77 2

! 4. S 27 Phi -70.32 +/- 30.00 (-100.32 to -40.32)

assign (resid 26 and name C) (resid 27 and name N)
       (resid 27 and name CA) (resid 27 and name C) 1.0 -70.32 30.00 2

! 5. T 28 Phi -91.39 +/- 24.30 (-115.69 to -67.09)

assign (resid 27 and name C) (resid 28 and name N)
       (resid 28 and name CA) (resid 28 and name C) 1.0 -91.39 24.30 2

! 6. W 29 Phi -87.91 +/- 52.82 (-140.73 to -35.09)

assign (resid 28 and name C) (resid 29 and name N)
       (resid 29 and name CA) (resid 29 and name C) 1.0 -87.91 52.82 2

! 7. I 30 Phi -120.04 +/- 23.33 (-143.36 to -96.71)

assign (resid 29 and name C) (resid 30 and name N)
       (resid 30 and name CA) (resid 30 and name C) 1.0 -120.04 23.33 2

! 8. Q 31 Phi -104.34 +/- 24.67 (-129.02 to -79.67)

assign (resid 30 and name C) (resid 31 and name N)
       (resid 31 and name CA) (resid 31 and name C) 1.0 -104.34 24.67 2

! 9. F 32 Phi -140.12 +/- 42.25 (-182.37 to -97.87)

assign (resid 31 and name C) (resid 32 and name N)
       (resid 32 and name CA) (resid 32 and name C) 1.0 -140.12 42.25 2

! 10. S 35 Phi -134.60 +/- 28.34 (-162.95 to -106.26)

assign (resid 34 and name C) (resid 35 and name N)
       (resid 35 and name CA) (resid 35 and name C) 1.0 -134.60 28.34 2

! 11. c 36 Phi -143.50 +/- 24.60 (-168.10 to -118.90)

assign (resid 35 and name C) (resid 36 and name N)
       (resid 36 and name CA) (resid 36 and name C) 1.0 -143.50 24.60 2

! 12. Y 37 Phi -124.83 +/- 20.00 (-144.83 to -104.83)

assign (resid 36 and name C) (resid 37 and name N)
       (resid 37 and name CA) (resid 37 and name C) 1.0 -124.83 20.00 2

! 13. I 38 Phi -127.85 +/- 21.41 (-149.26 to -106.43)

assign (resid 37 and name C) (resid 38 and name N)
       (resid 38 and name CA) (resid 38 and name C) 1.0 -127.85 21.41 2

! 14. F 39 Phi -106.56 +/- 20.00 (-126.56 to -86.56)

assign (resid 38 and name C) (resid 39 and name N)
       (resid 39 and name CA) (resid 39 and name C) 1.0 -106.56 20.00 2

! 15. L 40 Phi -101.99 +/- 20.00 (-121.99 to -81.99)

assign (resid 39 and name C) (resid 40 and name N)
       (resid 40 and name CA) (resid 40 and name C) 1.0 -101.99 20.00 2

! 16. Q 41 Phi -79.95 +/- 28.62 (-108.58 to -51.33)

assign (resid 40 and name C) (resid 41 and name N)
       (resid 41 and name CA) (resid 41 and name C) 1.0 -79.95 28.62 2

! 17. E 42 Phi -78.61 +/- 34.47 (-113.08 to -44.14)

assign (resid 41 and name C) (resid 42 and name N)
       (resid 42 and name CA) (resid 42 and name C) 1.0 -78.61 34.47 2

! 18. A 43 Phi -72.49 +/- 20.00 (-92.49 to -52.49)

assign (resid 42 and name C) (resid 43 and name N)
       (resid 43 and name CA) (resid 43 and name C) 1.0 -72.49 20.00 2

! 19. I 44 Phi -121.93 +/- 24.59 (-146.51 to -97.34)

assign (resid 43 and name C) (resid 44 and name N)
       (resid 44 and name CA) (resid 44 and name C) 1.0 -121.93 24.59 2

! 20. K 45 Phi -76.89 +/- 20.00 (-96.89 to -56.89)

assign (resid 44 and name C) (resid 45 and name N)
       (resid 45 and name CA) (resid 45 and name C) 1.0 -76.89 20.00 2

! 21. V 46 Phi -124.29 +/- 27.55 (-151.83 to -96.74)

assign (resid 45 and name C) (resid 46 and name N)
       (resid 46 and name CA) (resid 46 and name C) 1.0 -124.29 27.55 2

! 22. E 47 Phi -107.94 +/- 46.46 (-154.40 to -61.48)

assign (resid 46 and name C) (resid 47 and name N)
       (resid 47 and name CA) (resid 47 and name C) 1.0 -107.94 46.46 2

! 23. S 48 Phi -141.60 +/- 37.56 (-179.16 to -104.04)

assign (resid 47 and name C) (resid 48 and name N)
       (resid 48 and name CA) (resid 48 and name C) 1.0 -141.60 37.56 2

! 24. I 49 Phi -64.73 +/- 20.00 (-84.73 to -44.73)

assign (resid 48 and name C) (resid 49 and name N)
       (resid 49 and name CA) (resid 49 and name C) 1.0 -64.73 20.00 2

! 25. E 50 Phi -62.79 +/- 20.00 (-82.79 to -42.79)

assign (resid 49 and name C) (resid 50 and name N)
       (resid 50 and name CA) (resid 50 and name C) 1.0 -62.79 20.00 2

! 26. D 51 Phi -65.25 +/- 20.00 (-85.25 to -45.25)

assign (resid 50 and name C) (resid 51 and name N)
       (resid 51 and name CA) (resid 51 and name C) 1.0 -65.25 20.00 2

! 27. V 52 Phi -66.89 +/- 20.00 (-86.89 to -46.89)

assign (resid 51 and name C) (resid 52 and name N)
       (resid 52 and name CA) (resid 52 and name C) 1.0 -66.89 20.00 2

! 28. R 53 Phi -63.39 +/- 20.00 (-83.39 to -43.39)

assign (resid 52 and name C) (resid 53 and name N)
       (resid 53 and name CA) (resid 53 and name C) 1.0 -63.39 20.00 2

! 29. N 54 Phi -66.38 +/- 20.00 (-86.38 to -46.38)

assign (resid 53 and name C) (resid 54 and name N)
       (resid 54 and name CA) (resid 54 and name C) 1.0 -66.38 20.00 2

! 30. Q 55 Phi -67.09 +/- 20.00 (-87.09 to -47.09)

assign (resid 54 and name C) (resid 55 and name N)
       (resid 55 and name CA) (resid 55 and name C) 1.0 -67.09 20.00 2

! 31. c 56 Phi -66.24 +/- 20.00 (-86.24 to -46.24)

assign (resid 55 and name C) (resid 56 and name N)
       (resid 56 and name CA) (resid 56 and name C) 1.0 -66.24 20.00 2

! 32. T 57 Phi -64.23 +/- 20.00 (-84.23 to -44.23)

assign (resid 56 and name C) (resid 57 and name N)
       (resid 57 and name CA) (resid 57 and name C) 1.0 -64.23 20.00 2

! 33. D 58 Phi -65.74 +/- 20.00 (-85.74 to -45.74)

assign (resid 57 and name C) (resid 58 and name N)
       (resid 58 and name CA) (resid 58 and name C) 1.0 -65.74 20.00 2

! 34. H 59 Phi -97.37 +/- 20.00 (-117.37 to -77.37)

assign (resid 58 and name C) (resid 59 and name N)
       (resid 59 and name CA) (resid 59 and name C) 1.0 -97.37 20.00 2

! 35. G 60 Phi 71.38 +/- 20.00 (51.38 to 91.38)

assign (resid 59 and name C) (resid 60 and name N)
       (resid 60 and name CA) (resid 60 and name C) 1.0 71.38 20.00 2

! 36. A 61 Phi -126.60 +/- 27.95 (-154.55 to -98.65)

assign (resid 60 and name C) (resid 61 and name N)
       (resid 61 and name CA) (resid 61 and name C) 1.0 -126.60 27.95 2

! 37. D 62 Phi -117.81 +/- 40.07 (-157.89 to -77.74)

assign (resid 61 and name C) (resid 62 and name N)
       (resid 62 and name CA) (resid 62 and name C) 1.0 -117.81 40.07 2

! 38. M 63 Phi -89.02 +/- 44.46 (-133.48 to -44.55)

assign (resid 62 and name C) (resid 63 and name N)
       (resid 63 and name CA) (resid 63 and name C) 1.0 -89.02 44.46 2

! 39. I 66 Phi -123.61 +/- 22.81 (-146.42 to -100.80)

assign (resid 65 and name C) (resid 66 and name N)
       (resid 66 and name CA) (resid 66 and name C) 1.0 -123.61 22.81 2

! 40. H 67 Phi -105.59 +/- 37.20 (-142.78 to -68.39)

assign (resid 66 and name C) (resid 67 and name N)
       (resid 67 and name CA) (resid 67 and name C) 1.0 -105.59 37.20 2

! 41. N 68 Phi -158.81 +/- 20.00 (-178.81 to -138.81)

assign (resid 67 and name C) (resid 68 and name N)
       (resid 68 and name CA) (resid 68 and name C) 1.0 -158.81 20.00 2

! 42. E 69 Phi -67.23 +/- 20.00 (-87.23 to -47.23)

assign (resid 68 and name C) (resid 69 and name N)
       (resid 69 and name CA) (resid 69 and name C) 1.0 -67.23 20.00 2

! 43. E 70 Phi -62.68 +/- 20.00 (-82.68 to -42.68)

assign (resid 69 and name C) (resid 70 and name N)
       (resid 70 and name CA) (resid 70 and name C) 1.0 -62.68 20.00 2

! 44. E 71 Phi -66.19 +/- 20.00 (-86.19 to -46.19)

assign (resid 70 and name C) (resid 71 and name N)
       (resid 71 and name CA) (resid 71 and name C) 1.0 -66.19 20.00 2

! 45. N 72 Phi -63.23 +/- 20.00 (-83.23 to -43.23)

assign (resid 71 and name C) (resid 72 and name N)
       (resid 72 and name CA) (resid 72 and name C) 1.0 -63.23 20.00 2

! 46. A 73 Phi -64.53 +/- 20.00 (-84.53 to -44.53)

assign (resid 72 and name C) (resid 73 and name N)
       (resid 73 and name CA) (resid 73 and name C) 1.0 -64.53 20.00 2

! 47. F 74 Phi -66.03 +/- 20.00 (-86.03 to -46.03)

assign (resid 73 and name C) (resid 74 and name N)
       (resid 74 and name CA) (resid 74 and name C) 1.0 -66.03 20.00 2

! 48. I 75 Phi -62.59 +/- 20.00 (-82.59 to -42.59)

assign (resid 74 and name C) (resid 75 and name N)
       (resid 75 and name CA) (resid 75 and name C) 1.0 -62.59 20.00 2

! 49. L 76 Phi -64.17 +/- 20.00 (-84.17 to -44.17)

assign (resid 75 and name C) (resid 76 and name N)
       (resid 76 and name CA) (resid 76 and name C) 1.0 -64.17 20.00 2

! 50. D 77 Phi -65.39 +/- 20.00 (-85.39 to -45.39)

assign (resid 76 and name C) (resid 77 and name N)
       (resid 77 and name CA) (resid 77 and name C) 1.0 -65.39 20.00 2

! 51. T 78 Phi -64.01 +/- 20.00 (-84.01 to -44.01)

assign (resid 77 and name C) (resid 78 and name N)
       (resid 78 and name CA) (resid 78 and name C) 1.0 -64.01 20.00 2

! 52. L 79 Phi -65.14 +/- 20.00 (-85.14 to -45.14)

assign (resid 78 and name C) (resid 79 and name N)
       (resid 79 and name CA) (resid 79 and name C) 1.0 -65.14 20.00 2

! 53. K 80 Phi -64.34 +/- 20.00 (-84.34 to -44.34)

assign (resid 79 and name C) (resid 80 and name N)
       (resid 80 and name CA) (resid 80 and name C) 1.0 -64.34 20.00 2

! 54. K 81 Phi -72.26 +/- 20.00 (-92.26 to -52.26)

assign (resid 80 and name C) (resid 81 and name N)
       (resid 81 and name CA) (resid 81 and name C) 1.0 -72.26 20.00 2

! 55. Q 82 Phi -79.33 +/- 20.00 (-99.33 to -59.33)

assign (resid 81 and name C) (resid 82 and name N)
       (resid 82 and name CA) (resid 82 and name C) 1.0 -79.33 20.00 2

! 56. P 86 Phi -67.29 +/- 20.00 (-87.29 to -47.29)

assign (resid 85 and name C) (resid 86 and name N)
       (resid 86 and name CA) (resid 86 and name C) 1.0 -67.29 20.00 2

! 57. D 87 Phi -79.40 +/- 20.00 (-99.40 to -59.40)

assign (resid 86 and name C) (resid 87 and name N)
       (resid 87 and name CA) (resid 87 and name C) 1.0 -79.40 20.00 2

! 58. D 88 Phi -138.89 +/- 29.36 (-168.25 to -109.53)

assign (resid 87 and name C) (resid 88 and name N)
       (resid 88 and name CA) (resid 88 and name C) 1.0 -138.89 29.36 2

! 59. I 89 Phi -125.13 +/- 20.00 (-145.13 to -105.13)

assign (resid 88 and name C) (resid 89 and name N)
       (resid 89 and name CA) (resid 89 and name C) 1.0 -125.13 20.00 2

! 60. L 90 Phi -87.50 +/- 34.95 (-122.45 to -52.56)

assign (resid 89 and name C) (resid 90 and name N)
       (resid 90 and name CA) (resid 90 and name C) 1.0 -87.50 34.95 2

! 61. L 91 Phi -121.72 +/- 35.43 (-157.15 to -86.28)

assign (resid 90 and name C) (resid 91 and name N)
       (resid 91 and name CA) (resid 91 and name C) 1.0 -121.72 35.43 2

! 62. M 93 Phi -138.11 +/- 24.92 (-163.04 to -113.19)

assign (resid 92 and name C) (resid 93 and name N)
       (resid 93 and name CA) (resid 93 and name C) 1.0 -138.11 24.92 2

! 63. F 94 Phi -127.47 +/- 34.61 (-162.08 to -92.86)

assign (resid 93 and name C) (resid 94 and name N)
       (resid 94 and name CA) (resid 94 and name C) 1.0 -127.47 34.61 2

! 64. Y 95 Phi -94.99 +/- 34.70 (-129.69 to -60.29)

assign (resid 94 and name C) (resid 95 and name N)
       (resid 95 and name CA) (resid 95 and name C) 1.0 -94.99 34.70 2

! 65. D 96 Phi -99.35 +/- 20.00 (-119.35 to -79.35)

assign (resid 95 and name C) (resid 96 and name N)
       (resid 96 and name CA) (resid 96 and name C) 1.0 -99.35 20.00 2

! 66. T 97 Phi -67.08 +/- 20.00 (-87.08 to -47.08)

assign (resid 96 and name C) (resid 97 and name N)
       (resid 97 and name CA) (resid 97 and name C) 1.0 -67.08 20.00 2

! 67. D 98 Phi -68.65 +/- 20.00 (-88.65 to -48.65)

assign (resid 97 and name C) (resid 98 and name N)
       (resid 98 and name CA) (resid 98 and name C) 1.0 -68.65 20.00 2

! 68. D 99 Phi -100.15 +/- 24.00 (-124.15 to -76.15)

assign (resid 98 and name C) (resid 99 and name N)
       (resid 99 and name CA) (resid 99 and name C) 1.0 -100.15 24.00 2

! 69. A 100 Phi 52.94 +/- 30.00 (22.94 to 82.94)

assign (resid 99 and name C) (resid 100 and name N)
       (resid 100 and name CA) (resid 100 and name C) 1.0 52.94 30.00 2

! 70. S 101 Phi -143.02 +/- 29.23 (-172.25 to -113.79)

assign (resid 100 and name C) (resid 101 and name N)
       (resid 101 and name CA) (resid 101 and name C) 1.0 -143.02 29.23 2

! 71. F 102 Phi -77.67 +/- 27.00 (-104.67 to -50.67)

assign (resid 101 and name C) (resid 102 and name N)
       (resid 102 and name CA) (resid 102 and name C) 1.0 -77.67 27.00 2

! 72. K 103 Phi -136.22 +/- 25.52 (-161.74 to -110.71)

assign (resid 102 and name C) (resid 103 and name N)
       (resid 103 and name CA) (resid 103 and name C) 1.0 -136.22 25.52 2

! 73. W 104 Phi -85.81 +/- 23.50 (-109.32 to -62.31)

assign (resid 103 and name C) (resid 104 and name N)
       (resid 104 and name CA) (resid 104 and name C) 1.0 -85.81 23.50 2

! 74. F 105 Phi -57.21 +/- 20.00 (-77.21 to -37.21)

assign (resid 104 and name C) (resid 105 and name N)
       (resid 105 and name CA) (resid 105 and name C) 1.0 -57.21 20.00 2

! 75. D 106 Phi -86.75 +/- 20.00 (-106.75 to -66.75)

assign (resid 105 and name C) (resid 106 and name N)
       (resid 106 and name CA) (resid 106 and name C) 1.0 -86.75 20.00 2

! 76. S 108 Phi -83.36 +/- 35.35 (-118.71 to -48.01)

assign (resid 107 and name C) (resid 108 and name N)
       (resid 108 and name CA) (resid 108 and name C) 1.0 -83.36 35.35 2

! 77. N 109 Phi -77.06 +/- 21.84 (-98.90 to -55.22)

assign (resid 108 and name C) (resid 109 and name N)
       (resid 109 and name CA) (resid 109 and name C) 1.0 -77.06 21.84 2

! 78. M 110 Phi -97.12 +/- 26.16 (-123.28 to -70.95)

assign (resid 109 and name C) (resid 110 and name N)
       (resid 110 and name CA) (resid 110 and name C) 1.0 -97.12 26.16 2

! 79. F 112 Phi -125.06 +/- 31.66 (-156.72 to -93.40)

assign (resid 111 and name C) (resid 112 and name N)
       (resid 112 and name CA) (resid 112 and name C) 1.0 -125.06 31.66 2

! 80. D 113 Phi -143.85 +/- 25.81 (-169.66 to -118.05)

assign (resid 112 and name C) (resid 113 and name N)
       (resid 113 and name CA) (resid 113 and name C) 1.0 -143.85 25.81 2

! 81. K 114 Phi -104.86 +/- 62.92 (-167.78 to -41.93)

assign (resid 113 and name C) (resid 114 and name N)
       (resid 114 and name CA) (resid 114 and name C) 1.0 -104.86 62.92 2

! 82. W 115 Phi -70.97 +/- 22.69 (-93.66 to -48.29)

assign (resid 114 and name C) (resid 115 and name N)
       (resid 115 and name CA) (resid 115 and name C) 1.0 -70.97 22.69 2

! 83. T 116 Phi -99.39 +/- 85.68 (-185.07 to -13.71)

assign (resid 115 and name C) (resid 116 and name N)
       (resid 116 and name CA) (resid 116 and name C) 1.0 -99.39 85.68 2

! 84. D 117 Phi -68.03 +/- 20.00 (-88.03 to -48.03)

assign (resid 116 and name C) (resid 117 and name N)
       (resid 117 and name CA) (resid 117 and name C) 1.0 -68.03 20.00 2

! 85. Q 118 Phi -76.24 +/- 49.68 (-125.92 to -26.56)

assign (resid 117 and name C) (resid 118 and name N)
       (resid 118 and name CA) (resid 118 and name C) 1.0 -76.24 49.68 2

! 86. D 119 Phi -66.11 +/- 20.00 (-86.11 to -46.11)

assign (resid 118 and name C) (resid 119 and name N)
       (resid 119 and name CA) (resid 119 and name C) 1.0 -66.11 20.00 2

! 87. D 123 Phi -71.45 +/- 35.05 (-106.50 to -36.40)

assign (resid 122 and name C) (resid 123 and name N)
       (resid 123 and name CA) (resid 123 and name C) 1.0 -71.45 35.05 2

! 88. D 126 Phi -97.62 +/- 37.70 (-135.32 to -59.92)

assign (resid 125 and name C) (resid 126 and name N)
       (resid 126 and name CA) (resid 126 and name C) 1.0 -97.62 37.70 2

! 89. T 127 Phi -83.25 +/- 44.54 (-127.78 to -38.71)

assign (resid 126 and name C) (resid 127 and name N)
       (resid 127 and name CA) (resid 127 and name C) 1.0 -83.25 44.54 2

! 90. A 129 Phi -135.66 +/- 20.00 (-155.66 to -115.66)

assign (resid 128 and name C) (resid 129 and name N)
       (resid 129 and name CA) (resid 129 and name C) 1.0 -135.66 20.00 2

! 91. F 130 Phi -120.58 +/- 20.27 (-140.85 to -100.31)

assign (resid 129 and name C) (resid 130 and name N)
       (resid 130 and name CA) (resid 130 and name C) 1.0 -120.58 20.27 2

! 92. L 131 Phi -106.73 +/- 28.69 (-135.42 to -78.04)

assign (resid 130 and name C) (resid 131 and name N)
       (resid 131 and name CA) (resid 131 and name C) 1.0 -106.73 28.69 2

! 93. H 132 Phi -94.86 +/- 20.00 (-114.86 to -74.86)

assign (resid 131 and name C) (resid 132 and name N)
       (resid 132 and name CA) (resid 132 and name C) 1.0 -94.86 20.00 2

! 94. I 133 Phi -63.75 +/- 20.00 (-83.75 to -43.75)

assign (resid 132 and name C) (resid 133 and name N)
       (resid 133 and name CA) (resid 133 and name C) 1.0 -63.75 20.00 2

! 95. K 134 Phi -71.57 +/- 20.00 (-91.57 to -51.57)

assign (resid 133 and name C) (resid 134 and name N)
       (resid 134 and name CA) (resid 134 and name C) 1.0 -71.57 20.00 2

! 96. T 135 Phi -117.10 +/- 20.00 (-137.10 to -97.10)

assign (resid 134 and name C) (resid 135 and name N)
       (resid 135 and name CA) (resid 135 and name C) 1.0 -117.10 20.00 2

! 97. G 136 Phi 77.56 +/- 20.00 (57.56 to 97.56)

assign (resid 135 and name C) (resid 136 and name N)
       (resid 136 and name CA) (resid 136 and name C) 1.0 77.56 20.00 2

! 98. E 137 Phi -105.02 +/- 54.52 (-159.54 to -50.50)

assign (resid 136 and name C) (resid 137 and name N)
       (resid 137 and name CA) (resid 137 and name C) 1.0 -105.02 54.52 2

! 99. W 138 Phi -111.30 +/- 20.00 (-131.30 to -91.30)

assign (resid 137 and name C) (resid 138 and name N)
       (resid 138 and name CA) (resid 138 and name C) 1.0 -111.30 20.00 2

! 100. K 139 Phi -134.11 +/- 20.00 (-154.11 to -114.11)

assign (resid 138 and name C) (resid 139 and name N)
       (resid 139 and name CA) (resid 139 and name C) 1.0 -134.11 20.00 2

! 101. K 140 Phi -96.19 +/- 30.31 (-126.49 to -65.88)

assign (resid 139 and name C) (resid 140 and name N)
       (resid 140 and name CA) (resid 140 and name C) 1.0 -96.19 30.31 2

! 102. G 141 Phi -153.76 +/- 62.47 (-216.23 to -91.29)

assign (resid 140 and name C) (resid 141 and name N)
       (resid 141 and name CA) (resid 141 and name C) 1.0 -153.76 62.47 2

! 103. S 146 Phi -68.68 +/- 20.00 (-88.68 to -48.68)

assign (resid 145 and name C) (resid 146 and name N)
       (resid 146 and name CA) (resid 146 and name C) 1.0 -68.68 20.00 2

! 104. S 147 Phi -96.36 +/- 20.00 (-116.36 to -76.36)

assign (resid 146 and name C) (resid 147 and name N)
       (resid 147 and name CA) (resid 147 and name C) 1.0 -96.36 20.00 2

! 105. V 148 Phi -107.11 +/- 26.24 (-133.35 to -80.86)

assign (resid 147 and name C) (resid 148 and name N)
       (resid 148 and name CA) (resid 148 and name C) 1.0 -107.11 26.24 2

! 106. E 149 Phi -88.12 +/- 30.00 (-118.12 to -58.12)

assign (resid 148 and name C) (resid 149 and name N)
       (resid 149 and name CA) (resid 149 and name C) 1.0 -88.12 30.00 2

! 107. G 150 Phi -169.26 +/- 43.94 (-213.20 to -125.32)

assign (resid 149 and name C) (resid 150 and name N)
       (resid 150 and name CA) (resid 150 and name C) 1.0 -169.26 43.94 2

! 108. T 151 Phi -129.19 +/- 20.00 (-149.19 to -109.19)

assign (resid 150 and name C) (resid 151 and name N)
       (resid 151 and name CA) (resid 151 and name C) 1.0 -129.19 20.00 2

! 109. L 152 Phi -110.84 +/- 21.62 (-132.47 to -89.22)

assign (resid 151 and name C) (resid 152 and name N)
       (resid 152 and name CA) (resid 152 and name C) 1.0 -110.84 21.62 2

! 110. c 153 Phi -107.08 +/- 20.00 (-127.08 to -87.08)

assign (resid 152 and name C) (resid 153 and name N)
       (resid 153 and name CA) (resid 153 and name C) 1.0 -107.08 20.00 2

! 111. K 154 Phi -133.62 +/- 20.00 (-153.62 to -113.62)

assign (resid 153 and name C) (resid 154 and name N)
       (resid 154 and name CA) (resid 154 and name C) 1.0 -133.62 20.00 2

! 112. T 155 Phi -135.40 +/- 31.95 (-167.35 to -103.44)

assign (resid 154 and name C) (resid 155 and name N)
       (resid 155 and name CA) (resid 155 and name C) 1.0 -135.40 31.95 2

! 113. A 156 Phi -86.31 +/- 22.82 (-109.12 to -63.49)

assign (resid 155 and name C) (resid 156 and name N)
       (resid 156 and name CA) (resid 156 and name C) 1.0 -86.31 22.82 2

! 114. I 157 Phi -77.10 +/- 29.12 (-106.21 to -47.98)

assign (resid 156 and name C) (resid 157 and name N)
       (resid 157 and name CA) (resid 157 and name C) 1.0 -77.10 29.12 2


! 115. c 24 Psi 139.98 +/- 37.14 (102.84 to 177.12)

assign (resid 24 and name N) (resid 24 and name CA)
       (resid 24 and name C) (resid 25 and name N) 1.0 139.98 37.14 2

! 116. P 25 Psi -31.23 +/- 20.00 (-51.23 to -11.23)

assign (resid 25 and name N) (resid 25 and name CA)
       (resid 25 and name C) (resid 26 and name N) 1.0 -31.23 20.00 2

! 117. S 26 Psi 165.71 +/- 24.90 (140.81 to 190.60)

assign (resid 26 and name N) (resid 26 and name CA)
       (resid 26 and name C) (resid 27 and name N) 1.0 165.71 24.90 2

! 118. S 27 Psi -16.13 +/- 30.00 (-46.13 to 13.87)

assign (resid 27 and name N) (resid 27 and name CA)
       (resid 27 and name C) (resid 28 and name N) 1.0 -16.13 30.00 2

! 119. T 28 Psi -11.73 +/- 27.97 (-39.70 to 16.23)

assign (resid 28 and name N) (resid 28 and name CA)
       (resid 28 and name C) (resid 29 and name N) 1.0 -11.73 27.97 2

! 120. W 29 Psi 136.23 +/- 22.79 (113.44 to 159.02)

assign (resid 29 and name N) (resid 29 and name CA)
       (resid 29 and name C) (resid 30 and name N) 1.0 136.23 22.79 2

! 121. I 30 Psi 130.25 +/- 20.00 (110.25 to 150.25)

assign (resid 30 and name N) (resid 30 and name CA)
       (resid 30 and name C) (resid 31 and name N) 1.0 130.25 20.00 2

! 122. Q 31 Psi 122.67 +/- 20.00 (102.67 to 142.68)

assign (resid 31 and name N) (resid 31 and name CA)
       (resid 31 and name C) (resid 32 and name N) 1.0 122.67 20.00 2

! 123. F 32 Psi 125.37 +/- 20.00 (105.37 to 145.37)

assign (resid 32 and name N) (resid 32 and name CA)
       (resid 32 and name C) (resid 33 and name N) 1.0 125.37 20.00 2

! 124. S 35 Psi 149.11 +/- 20.00 (129.11 to 169.11)

assign (resid 35 and name N) (resid 35 and name CA)
       (resid 35 and name C) (resid 36 and name N) 1.0 149.11 20.00 2

! 125. c 36 Psi 152.09 +/- 20.00 (132.09 to 172.09)

assign (resid 36 and name N) (resid 36 and name CA)
       (resid 36 and name C) (resid 37 and name N) 1.0 152.09 20.00 2

! 126. Y 37 Psi 138.97 +/- 21.68 (117.29 to 160.65)

assign (resid 37 and name N) (resid 37 and name CA)
       (resid 37 and name C) (resid 38 and name N) 1.0 138.97 21.68 2

! 127. I 38 Psi 134.96 +/- 20.00 (114.96 to 154.96)

assign (resid 38 and name N) (resid 38 and name CA)
       (resid 38 and name C) (resid 39 and name N) 1.0 134.96 20.00 2

! 128. F 39 Psi 124.63 +/- 20.00 (104.63 to 144.63)

assign (resid 39 and name N) (resid 39 and name CA)
       (resid 39 and name C) (resid 40 and name N) 1.0 124.63 20.00 2

! 129. L 40 Psi 115.77 +/- 20.00 (95.77 to 135.77)

assign (resid 40 and name N) (resid 40 and name CA)
       (resid 40 and name C) (resid 41 and name N) 1.0 115.77 20.00 2

! 130. Q 41 Psi 137.58 +/- 39.07 (98.50 to 176.65)

assign (resid 41 and name N) (resid 41 and name CA)
       (resid 41 and name C) (resid 42 and name N) 1.0 137.58 39.07 2

! 131. E 42 Psi 139.83 +/- 26.93 (112.90 to 166.76)

assign (resid 42 and name N) (resid 42 and name CA)
       (resid 42 and name C) (resid 43 and name N) 1.0 139.83 26.93 2

! 132. A 43 Psi 141.94 +/- 24.23 (117.70 to 166.17)

assign (resid 43 and name N) (resid 43 and name CA)
       (resid 43 and name C) (resid 44 and name N) 1.0 141.94 24.23 2

! 133. I 44 Psi 132.26 +/- 20.92 (111.34 to 153.18)

assign (resid 44 and name N) (resid 44 and name CA)
       (resid 44 and name C) (resid 45 and name N) 1.0 132.26 20.92 2

! 134. K 45 Psi 128.73 +/- 20.00 (108.73 to 148.73)

assign (resid 45 and name N) (resid 45 and name CA)
       (resid 45 and name C) (resid 46 and name N) 1.0 128.73 20.00 2

! 135. V 46 Psi 142.78 +/- 30.83 (111.94 to 173.61)

assign (resid 46 and name N) (resid 46 and name CA)
       (resid 46 and name C) (resid 47 and name N) 1.0 142.78 30.83 2

! 136. E 47 Psi -12.20 +/- 38.50 (-50.70 to 26.30)

assign (resid 47 and name N) (resid 47 and name CA)
       (resid 47 and name C) (resid 48 and name N) 1.0 -12.20 38.50 2

! 137. S 48 Psi 159.36 +/- 20.88 (138.48 to 180.24)

assign (resid 48 and name N) (resid 48 and name CA)
       (resid 48 and name C) (resid 49 and name N) 1.0 159.36 20.88 2

! 138. I 49 Psi -31.60 +/- 20.00 (-51.60 to -11.60)

assign (resid 49 and name N) (resid 49 and name CA)
       (resid 49 and name C) (resid 50 and name N) 1.0 -31.60 20.00 2

! 139. E 50 Psi -41.26 +/- 20.00 (-61.26 to -21.26)

assign (resid 50 and name N) (resid 50 and name CA)
       (resid 50 and name C) (resid 51 and name N) 1.0 -41.26 20.00 2

! 140. D 51 Psi -41.51 +/- 20.00 (-61.51 to -21.51)

assign (resid 51 and name N) (resid 51 and name CA)
       (resid 51 and name C) (resid 52 and name N) 1.0 -41.51 20.00 2

! 141. V 52 Psi -43.39 +/- 20.00 (-63.39 to -23.39)

assign (resid 52 and name N) (resid 52 and name CA)
       (resid 52 and name C) (resid 53 and name N) 1.0 -43.39 20.00 2

! 142. R 53 Psi -40.14 +/- 20.00 (-60.14 to -20.14)

assign (resid 53 and name N) (resid 53 and name CA)
       (resid 53 and name C) (resid 54 and name N) 1.0 -40.14 20.00 2

! 143. N 54 Psi -36.92 +/- 20.00 (-56.92 to -16.92)

assign (resid 54 and name N) (resid 54 and name CA)
       (resid 54 and name C) (resid 55 and name N) 1.0 -36.92 20.00 2

! 144. Q 55 Psi -39.73 +/- 20.00 (-59.73 to -19.73)

assign (resid 55 and name N) (resid 55 and name CA)
       (resid 55 and name C) (resid 56 and name N) 1.0 -39.73 20.00 2

! 145. c 56 Psi -38.23 +/- 20.00 (-58.23 to -18.23)

assign (resid 56 and name N) (resid 56 and name CA)
       (resid 56 and name C) (resid 57 and name N) 1.0 -38.23 20.00 2

! 146. T 57 Psi -37.82 +/- 20.00 (-57.82 to -17.82)

assign (resid 57 and name N) (resid 57 and name CA)
       (resid 57 and name C) (resid 58 and name N) 1.0 -37.82 20.00 2

! 147. D 58 Psi -24.71 +/- 20.00 (-44.71 to -4.71)

assign (resid 58 and name N) (resid 58 and name CA)
       (resid 58 and name C) (resid 59 and name N) 1.0 -24.71 20.00 2

! 148. H 59 Psi 7.40 +/- 20.00 (-12.60 to 27.40)

assign (resid 59 and name N) (resid 59 and name CA)
       (resid 59 and name C) (resid 60 and name N) 1.0 7.40 20.00 2

! 149. G 60 Psi 30.46 +/- 20.00 (10.46 to 50.46)

assign (resid 60 and name N) (resid 60 and name CA)
       (resid 60 and name C) (resid 61 and name N) 1.0 30.46 20.00 2

! 150. A 61 Psi 159.41 +/- 20.00 (139.41 to 179.41)

assign (resid 61 and name N) (resid 61 and name CA)
       (resid 61 and name C) (resid 62 and name N) 1.0 159.41 20.00 2

! 151. D 62 Psi 143.09 +/- 24.96 (118.13 to 168.04)

assign (resid 62 and name N) (resid 62 and name CA)
       (resid 62 and name C) (resid 63 and name N) 1.0 143.09 24.96 2

! 152. M 63 Psi 127.36 +/- 21.89 (105.46 to 149.25)

assign (resid 63 and name N) (resid 63 and name CA)
       (resid 63 and name C) (resid 64 and name N) 1.0 127.36 21.89 2

! 153. I 66 Psi 141.20 +/- 34.00 (107.20 to 175.19)

assign (resid 66 and name N) (resid 66 and name CA)
       (resid 66 and name C) (resid 67 and name N) 1.0 141.20 34.00 2

! 154. H 67 Psi -8.10 +/- 31.23 (-39.32 to 23.13)

assign (resid 67 and name N) (resid 67 and name CA)
       (resid 67 and name C) (resid 68 and name N) 1.0 -8.10 31.23 2

! 155. N 68 Psi 165.28 +/- 20.00 (145.28 to 185.28)

assign (resid 68 and name N) (resid 68 and name CA)
       (resid 68 and name C) (resid 69 and name N) 1.0 165.28 20.00 2

! 156. E 69 Psi -35.85 +/- 20.00 (-55.85 to -15.85)

assign (resid 69 and name N) (resid 69 and name CA)
       (resid 69 and name C) (resid 70 and name N) 1.0 -35.85 20.00 2

! 157. E 70 Psi -43.24 +/- 20.00 (-63.24 to -23.24)

assign (resid 70 and name N) (resid 70 and name CA)
       (resid 70 and name C) (resid 71 and name N) 1.0 -43.24 20.00 2

! 158. E 71 Psi -40.48 +/- 20.00 (-60.48 to -20.48)

assign (resid 71 and name N) (resid 71 and name CA)
       (resid 71 and name C) (resid 72 and name N) 1.0 -40.48 20.00 2

! 159. N 72 Psi -44.32 +/- 20.00 (-64.32 to -24.32)

assign (resid 72 and name N) (resid 72 and name CA)
       (resid 72 and name C) (resid 73 and name N) 1.0 -44.32 20.00 2

! 160. A 73 Psi -38.99 +/- 20.00 (-58.99 to -18.99)

assign (resid 73 and name N) (resid 73 and name CA)
       (resid 73 and name C) (resid 74 and name N) 1.0 -38.99 20.00 2

! 161. F 74 Psi -43.46 +/- 20.00 (-63.46 to -23.46)

assign (resid 74 and name N) (resid 74 and name CA)
       (resid 74 and name C) (resid 75 and name N) 1.0 -43.46 20.00 2

! 162. I 75 Psi -43.84 +/- 20.00 (-63.84 to -23.84)

assign (resid 75 and name N) (resid 75 and name CA)
       (resid 75 and name C) (resid 76 and name N) 1.0 -43.84 20.00 2

! 163. L 76 Psi -42.20 +/- 20.00 (-62.20 to -22.20)

assign (resid 76 and name N) (resid 76 and name CA)
       (resid 76 and name C) (resid 77 and name N) 1.0 -42.20 20.00 2

! 164. D 77 Psi -40.97 +/- 20.00 (-60.97 to -20.97)

assign (resid 77 and name N) (resid 77 and name CA)
       (resid 77 and name C) (resid 78 and name N) 1.0 -40.97 20.00 2

! 165. T 78 Psi -42.55 +/- 20.00 (-62.55 to -22.55)

assign (resid 78 and name N) (resid 78 and name CA)
       (resid 78 and name C) (resid 79 and name N) 1.0 -42.55 20.00 2

! 166. L 79 Psi -41.90 +/- 20.00 (-61.90 to -21.90)

assign (resid 79 and name N) (resid 79 and name CA)
       (resid 79 and name C) (resid 80 and name N) 1.0 -41.90 20.00 2

! 167. K 80 Psi -34.40 +/- 20.00 (-54.40 to -14.40)

assign (resid 80 and name N) (resid 80 and name CA)
       (resid 80 and name C) (resid 81 and name N) 1.0 -34.40 20.00 2

! 168. K 81 Psi -30.77 +/- 20.00 (-50.77 to -10.77)

assign (resid 81 and name N) (resid 81 and name CA)
       (resid 81 and name C) (resid 82 and name N) 1.0 -30.77 20.00 2

! 169. Q 82 Psi -22.71 +/- 20.00 (-42.71 to -2.71)

assign (resid 82 and name N) (resid 82 and name CA)
       (resid 82 and name C) (resid 83 and name N) 1.0 -22.71 20.00 2

! 170. P 86 Psi 149.04 +/- 20.00 (129.04 to 169.04)

assign (resid 86 and name N) (resid 86 and name CA)
       (resid 86 and name C) (resid 87 and name N) 1.0 149.04 30.00 2

! 171. D 87 Psi -30.79 +/- 20.00 (-50.79 to -10.79)

assign (resid 87 and name N) (resid 87 and name CA)
       (resid 87 and name C) (resid 88 and name N) 1.0 -30.79 20.00 2

! 172. D 88 Psi 150.84 +/- 20.81 (130.03 to 171.64)

assign (resid 88 and name N) (resid 88 and name CA)
       (resid 88 and name C) (resid 89 and name N) 1.0 150.84 20.81 2

! 173. I 89 Psi 130.49 +/- 20.07 (110.42 to 150.55)

assign (resid 89 and name N) (resid 89 and name CA)
       (resid 89 and name C) (resid 90 and name N) 1.0 130.49 20.07 2

! 174. L 90 Psi 130.43 +/- 20.00 (110.43 to 150.43)

assign (resid 90 and name N) (resid 90 and name CA)
       (resid 90 and name C) (resid 91 and name N) 1.0 130.43 20.00 2

! 175. L 91 Psi 136.47 +/- 43.92 (92.55 to 180.40)

assign (resid 91 and name N) (resid 91 and name CA)
       (resid 91 and name C) (resid 92 and name N) 1.0 136.47 43.92 2

! 176. M 93 Psi 150.61 +/- 20.10 (130.51 to 170.71)

assign (resid 93 and name N) (resid 93 and name CA)
       (resid 93 and name C) (resid 94 and name N) 1.0 150.61 20.10 2

! 177. F 94 Psi 139.10 +/- 28.32 (110.78 to 167.42)

assign (resid 94 and name N) (resid 94 and name CA)
       (resid 94 and name C) (resid 95 and name N) 1.0 139.10 28.32 2

! 178. Y 95 Psi 123.11 +/- 26.25 (96.86 to 149.35)

assign (resid 95 and name N) (resid 95 and name CA)
       (resid 95 and name C) (resid 96 and name N) 1.0 123.11 26.25 2

! 179. D 96 Psi 107.18 +/- 20.00 (87.18 to 127.18)

assign (resid 96 and name N) (resid 96 and name CA)
       (resid 96 and name C) (resid 97 and name N) 1.0 107.18 20.00 2

! 180. T 97 Psi -26.77 +/- 20.00 (-46.77 to -6.77)

assign (resid 97 and name N) (resid 97 and name CA)
       (resid 97 and name C) (resid 98 and name N) 1.0 -26.77 20.00 2

! 181. D 98 Psi -40.04 +/- 20.00 (-60.04 to -20.04)

assign (resid 98 and name N) (resid 98 and name CA)
       (resid 98 and name C) (resid 99 and name N) 1.0 -40.04 20.00 2

! 182. D 99 Psi -4.06 +/- 20.00 (-24.06 to 15.94)

assign (resid 99 and name N) (resid 99 and name CA)
       (resid 99 and name C) (resid 100 and name N) 1.0 -4.06 20.00 2

! 183. A 100 Psi 44.96 +/- 30.00 (14.96 to 74.96)

assign (resid 100 and name N) (resid 100 and name CA)
       (resid 100 and name C) (resid 101 and name N) 1.0 44.96 30.00 2

! 184. S 101 Psi 154.21 +/- 20.00 (134.21 to 174.21)

assign (resid 101 and name N) (resid 101 and name CA)
       (resid 101 and name C) (resid 102 and name N) 1.0 154.21 20.00 2

! 185. F 102 Psi 136.38 +/- 20.00 (116.38 to 156.38)

assign (resid 102 and name N) (resid 102 and name CA)
       (resid 102 and name C) (resid 103 and name N) 1.0 136.38 20.00 2

! 186. K 103 Psi 157.40 +/- 20.00 (137.40 to 177.40)

assign (resid 103 and name N) (resid 103 and name CA)
       (resid 103 and name C) (resid 104 and name N) 1.0 157.40 20.00 2

! 187. W 104 Psi 151.76 +/- 27.58 (124.18 to 179.34)

assign (resid 104 and name N) (resid 104 and name CA)
       (resid 104 and name C) (resid 105 and name N) 1.0 151.76 27.58 2

! 188. F 105 Psi -31.64 +/- 20.00 (-51.64 to -11.64)

assign (resid 105 and name N) (resid 105 and name CA)
       (resid 105 and name C) (resid 106 and name N) 1.0 -31.64 20.00 2

! 189. D 106 Psi 6.55 +/- 20.00 (-13.45 to 26.55)

assign (resid 106 and name N) (resid 106 and name CA)
       (resid 106 and name C) (resid 107 and name N) 1.0 6.55 20.00 2

! 190. S 108 Psi 143.60 +/- 40.40 (103.20 to 184.00)

assign (resid 108 and name N) (resid 108 and name CA)
       (resid 108 and name C) (resid 109 and name N) 1.0 143.60 40.40 2

! 191. N 109 Psi 129.19 +/- 26.84 (102.35 to 156.02)

assign (resid 109 and name N) (resid 109 and name CA)
       (resid 109 and name C) (resid 110 and name N) 1.0 129.19 26.84 2

! 192. M 110 Psi 120.87 +/- 29.06 (91.81 to 149.93)

assign (resid 110 and name N) (resid 110 and name CA)
       (resid 110 and name C) (resid 111 and name N) 1.0 120.87 29.06 2

! 193. F 112 Psi 140.62 +/- 20.00 (120.62 to 160.62)

assign (resid 112 and name N) (resid 112 and name CA)
       (resid 112 and name C) (resid 113 and name N) 1.0 140.62 20.00 2

! 194. D 113 Psi 154.32 +/- 25.76 (128.57 to 180.08)

assign (resid 113 and name N) (resid 113 and name CA)
       (resid 113 and name C) (resid 114 and name N) 1.0 154.32 25.76 2

! 195. K 114 Psi 129.35 +/- 58.19 (71.16 to 187.54)

assign (resid 114 and name N) (resid 114 and name CA)
       (resid 114 and name C) (resid 115 and name N) 1.0 129.35 58.19 2

! 196. W 115 Psi 138.73 +/- 21.32 (117.41 to 160.05)

assign (resid 115 and name N) (resid 115 and name CA)
       (resid 115 and name C) (resid 116 and name N) 1.0 138.73 21.32 2

! 197. T 116 Psi 144.96 +/- 67.08 (77.88 to 212.04)

assign (resid 116 and name N) (resid 116 and name CA)
       (resid 116 and name C) (resid 117 and name N) 1.0 144.96 67.08 2

! 198. D 117 Psi 138.36 +/- 22.61 (115.75 to 160.97)

assign (resid 117 and name N) (resid 117 and name CA)
       (resid 117 and name C) (resid 118 and name N) 1.0 138.36 22.61 2

! 199. Q 118 Psi 144.79 +/- 34.07 (110.73 to 178.86)

assign (resid 118 and name N) (resid 118 and name CA)
       (resid 118 and name C) (resid 119 and name N) 1.0 144.79 34.07 2

! 200. D 119 Psi 144.63 +/- 22.66 (121.97 to 167.30)

assign (resid 119 and name N) (resid 119 and name CA)
       (resid 119 and name C) (resid 120 and name N) 1.0 144.63 22.66 2

! 201. D 123 Psi 132.19 +/- 42.25 (89.94 to 174.44)

assign (resid 123 and name N) (resid 123 and name CA)
       (resid 123 and name C) (resid 124 and name N) 1.0 132.19 42.25 2

! 202. D 126 Psi 2.33 +/- 30.00 (-27.67 to 32.33)

assign (resid 126 and name N) (resid 126 and name CA)
       (resid 126 and name C) (resid 127 and name N) 1.0 2.33 30.00 2

! 203. T 127 Psi 136.15 +/- 48.44 (87.70 to 184.59)

assign (resid 127 and name N) (resid 127 and name CA)
       (resid 127 and name C) (resid 128 and name N) 1.0 136.15 48.44 2

! 204. A 129 Psi 145.26 +/- 20.78 (124.49 to 166.04)

assign (resid 129 and name N) (resid 129 and name CA)
       (resid 129 and name C) (resid 130 and name N) 1.0 145.26 20.78 2

! 205. F 130 Psi 131.70 +/- 20.00 (111.70 to 151.70)

assign (resid 130 and name N) (resid 130 and name CA)
       (resid 130 and name C) (resid 131 and name N) 1.0 131.70 20.00 2

! 206. L 131 Psi 122.55 +/- 20.00 (102.55 to 142.55)

assign (resid 131 and name N) (resid 131 and name CA)
       (resid 131 and name C) (resid 132 and name N) 1.0 122.55 20.00 2

! 207. H 132 Psi 107.44 +/- 20.00 (87.44 to 127.44)

assign (resid 132 and name N) (resid 132 and name CA)
       (resid 132 and name C) (resid 133 and name N) 1.0 107.44 20.00 2

! 208. I 133 Psi -35.44 +/- 20.00 (-55.44 to -15.44)

assign (resid 133 and name N) (resid 133 and name CA)
       (resid 133 and name C) (resid 134 and name N) 1.0 -35.44 20.00 2

! 209. K 134 Psi -35.83 +/- 20.00 (-55.83 to -15.83)

assign (resid 134 and name N) (resid 134 and name CA)
       (resid 134 and name C) (resid 135 and name N) 1.0 -35.83 20.00 2

! 210. T 135 Psi -15.97 +/- 20.00 (-35.97 to 4.03)

assign (resid 135 and name N) (resid 135 and name CA)
       (resid 135 and name C) (resid 136 and name N) 1.0 -15.97 20.00 2

! 211. G 136 Psi 14.67 +/- 28.54 (-13.88 to 43.21)

assign (resid 136 and name N) (resid 136 and name CA)
       (resid 136 and name C) (resid 137 and name N) 1.0 14.67 28.54 2

! 212. E 137 Psi 145.41 +/- 20.00 (125.41 to 165.41)

assign (resid 137 and name N) (resid 137 and name CA)
       (resid 137 and name C) (resid 138 and name N) 1.0 145.41 20.00 2

! 213. W 138 Psi 138.47 +/- 23.65 (114.82 to 162.13)

assign (resid 138 and name N) (resid 138 and name CA)
       (resid 138 and name C) (resid 139 and name N) 1.0 138.47 23.65 2

! 214. K 139 Psi 145.55 +/- 26.90 (118.65 to 172.45)

assign (resid 139 and name N) (resid 139 and name CA)
       (resid 139 and name C) (resid 140 and name N) 1.0 145.55 26.90 2

! 215. K 140 Psi 136.72 +/- 21.19 (115.53 to 157.90)

assign (resid 140 and name N) (resid 140 and name CA)
       (resid 140 and name C) (resid 141 and name N) 1.0 136.72 21.19 2

! 216. G 141 Psi 173.35 +/- 22.23 (151.12 to 195.58)

assign (resid 141 and name N) (resid 141 and name CA)
       (resid 141 and name C) (resid 142 and name N) 1.0 173.35 22.23 2

! 217. S 146 Psi -26.44 +/- 20.00 (-46.44 to -6.44)

assign (resid 146 and name N) (resid 146 and name CA)
       (resid 146 and name C) (resid 147 and name N) 1.0 -26.44 20.00 2

! 218. S 147 Psi -1.00 +/- 22.66 (-23.66 to 21.66)

assign (resid 147 and name N) (resid 147 and name CA)
       (resid 147 and name C) (resid 148 and name N) 1.0 -1.00 22.66 2

! 219. V 148 Psi 129.51 +/- 21.00 (108.50 to 150.51)

assign (resid 148 and name N) (resid 148 and name CA)
       (resid 148 and name C) (resid 149 and name N) 1.0 129.51 21.00 2

! 220. E 149 Psi -24.55 +/- 34.81 (-59.36 to 10.26)

assign (resid 149 and name N) (resid 149 and name CA)
       (resid 149 and name C) (resid 150 and name N) 1.0 -24.55 34.81 2

! 221. G 150 Psi 163.53 +/- 27.66 (135.87 to 191.19)

assign (resid 150 and name N) (resid 150 and name CA)
       (resid 150 and name C) (resid 151 and name N) 1.0 163.53 27.66 2

! 222. T 151 Psi 131.42 +/- 20.00 (111.42 to 151.42)

assign (resid 151 and name N) (resid 151 and name CA)
       (resid 151 and name C) (resid 152 and name N) 1.0 131.42 20.00 2

! 223. L 152 Psi 127.79 +/- 20.00 (107.79 to 147.79)

assign (resid 152 and name N) (resid 152 and name CA)
       (resid 152 and name C) (resid 153 and name N) 1.0 127.79 20.00 2

! 224. c 153 Psi 128.01 +/- 20.00 (108.01 to 148.01)

assign (resid 153 and name N) (resid 153 and name CA)
       (resid 153 and name C) (resid 154 and name N) 1.0 128.01 20.00 2

! 225. K 154 Psi 145.75 +/- 20.00 (125.75 to 165.75)

assign (resid 154 and name N) (resid 154 and name CA)
       (resid 154 and name C) (resid 155 and name N) 1.0 145.75 20.00 2

! 226. T 155 Psi 140.78 +/- 34.01 (106.77 to 174.78)

assign (resid 155 and name N) (resid 155 and name CA)
       (resid 155 and name C) (resid 156 and name N) 1.0 140.78 34.01 2

! 227. A 156 Psi 130.65 +/- 24.67 (105.98 to 155.33)

assign (resid 156 and name N) (resid 156 and name CA)
       (resid 156 and name C) (resid 157 and name N) 1.0 130.65 24.67 2

! 228. I 157 Psi 138.43 +/- 25.23 (113.21 to 163.66)

assign (resid 157 and name N) (resid 157 and name CA)
       (resid 157 and name C) (resid 158 and name N) 1.0 138.43 25.23 2

assign (resid 23 and name HB2) (resid 23 and name HB1) 2.048 0.524 0.524 weight 1.000 ! spec=HCH, no=5, id=3109, vol=1.740000e+08
assign (resid 23 and name HB2) (resid 31 and name HE22) 3.329 1.386 1.386 weight 1.000 ! spec=HCH, no=6, id=3110, vol=9.410000e+06
assign (resid 23 and name HB2) (resid 23 and name HA) 2.992 1.119 1.119 weight 1.000 ! spec=HCH, no=11, id=3115, vol=1.790000e+07
assign (resid 23 and name HB1) (resid 23 and name HA) 2.620 0.858 0.858 weight 1.000 ! spec=HCH, no=12, id=3116, vol=3.960000e+07
assign (resid 23 and name HB2) (resid 24 and name HN) 3.654 1.669 1.669 weight 1.000 ! spec=HCH, no=14, id=3118, vol=5.390000e+06
assign (resid 23 and name HB2) (resid 157 and name HD12) 3.043 1.158 1.158 weight 1.000 ! spec=HCH, no=16, id=3120, vol=1.610000e+07
    or (resid 23 and name HB2) (resid 157 and name HD11)
    or (resid 23 and name HB2) (resid 157 and name HD13)
assign (resid 23 and name HB1) (resid 157 and name HD12) 2.683 0.900 0.900 weight 1.000 ! spec=HCH, no=17, id=3121, vol=3.440000e+07
    or (resid 23 and name HB1) (resid 157 and name HD11)
    or (resid 23 and name HB1) (resid 157 and name HD13)
assign (resid 24 and name HA) (resid 24 and name HB1) 2.718 0.923 0.923 weight 1.000 ! spec=HCH, no=23, id=3125, vol=3.180000e+07
assign (resid 24 and name HA) (resid 25 and name HD2) 2.820 0.994 0.994 weight 1.000 ! spec=HCH, no=24, id=3126, vol=2.550000e+07
assign (resid 24 and name HA) (resid 25 and name HD1) 2.581 0.833 0.833 weight 1.000 ! spec=HCH, no=25, id=3127, vol=4.340000e+07
assign (resid 24 and name HA) (resid 157 and name HG22) 3.202 1.281 1.281 weight 1.000 ! spec=HCH, no=26, id=3128, vol=1.190000e+07
    or (resid 24 and name HA) (resid 157 and name HG21)
    or (resid 24 and name HA) (resid 157 and name HG23)
assign (resid 26 and name HN) (resid 24 and name HB2) 3.525 1.553 1.553 weight 1.000 ! spec=HCH, no=27, id=3129, vol=6.690000e+06
assign (resid 24 and name HB2) (resid 24 and name HN) 3.122 1.219 1.219 weight 1.000 ! spec=HCH, no=28, id=3130, vol=1.380000e+07
assign (resid 24 and name HB2) (resid 25 and name HD2) 3.170 1.256 1.256 weight 1.000 ! spec=HCH, no=31, id=3133, vol=1.260000e+07
assign (resid 24 and name HB1) (resid 25 and name HB2) 3.700 1.711 1.711 weight 1.000 ! spec=HCH, no=39, id=3140, vol=5.000000e+06
assign (resid 24 and name HB1) (resid 29 and name HE3) 3.681 1.694 1.694 weight 1.000 ! spec=HCH, no=41, id=3142, vol=5.150000e+06
assign (resid 24 and name HB2) (resid 29 and name HB2) 2.777 0.964 0.964 weight 1.000 ! spec=HCH, no=42, id=3143, vol=2.800000e+07
assign (resid 25 and name HA) (resid 25 and name HD2) 3.510 1.540 1.540 weight 1.000 ! spec=HCH, no=46, id=3147, vol=6.860000e+06
assign (resid 25 and name HA) (resid 25 and name HB1) 2.588 0.837 0.837 weight 1.000 ! spec=HCH, no=47, id=3148, vol=4.270000e+07
assign (resid 25 and name HA) (resid 25 and name HG2) 3.159 1.247 1.247 weight 1.000 ! spec=HCH, no=49, id=3150, vol=1.290000e+07
assign (resid 25 and name HB2) (resid 25 and name HD2) 3.444 1.482 1.482 weight 1.000 ! spec=HCH, no=51, id=3152, vol=7.690000e+06
assign (resid 25 and name HB2) (resid 25 and name HA) 3.217 1.293 1.293 weight 1.000 ! spec=HCH, no=53, id=3154, vol=1.160000e+07
assign (resid 25 and name HB1) (resid 25 and name HB2) 2.336 0.682 0.682 weight 1.000 ! spec=HCH, no=56, id=3156, vol=7.890000e+07
assign (resid 25 and name HB2) (resid 25 and name HD1) 3.686 1.698 1.698 weight 1.000 ! spec=HCH, no=58, id=3158, vol=5.120000e+06
assign (resid 25 and name HB1) (resid 25 and name HD1) 3.501 1.532 1.532 weight 1.000 ! spec=HCH, no=59, id=3159, vol=6.970000e+06
assign (resid 25 and name HB2) (resid 25 and name HG2) 2.983 1.112 1.112 weight 1.000 ! spec=HCH, no=60, id=3160, vol=1.820000e+07
assign (resid 25 and name HB1) (resid 25 and name HG2) 2.654 0.881 0.881 weight 1.000 ! spec=HCH, no=61, id=3161, vol=3.670000e+07
assign (resid 25 and name HD2) (resid 25 and name HB1) 3.518 1.547 1.547 weight 1.000 ! spec=HCH, no=68, id=3168, vol=6.760000e+06
assign (resid 25 and name HD2) (resid 24 and name HB1) 3.051 1.163 1.163 weight 1.000 ! spec=HCH, no=75, id=3175, vol=1.590000e+07
assign (resid 25 and name HD1) (resid 24 and name HB1) 2.977 1.108 1.108 weight 1.000 ! spec=HCH, no=76, id=3176, vol=1.840000e+07
assign (resid 25 and name HD1) (resid 25 and name HA) 3.678 1.691 1.691 weight 1.000 ! spec=HCH, no=77, id=3177, vol=5.180000e+06
assign (resid 25 and name HD1) (resid 25 and name HD2) 2.606 0.849 0.849 weight 1.000 ! spec=HCH, no=79, id=3178, vol=4.090000e+07
assign (resid 25 and name HD2) (resid 25 and name HG2) 3.113 1.211 1.211 weight 1.000 ! spec=HCH, no=82, id=3180, vol=1.410000e+07
assign (resid 25 and name HD1) (resid 25 and name HG2) 2.900 1.051 1.051 weight 1.000 ! spec=HCH, no=83, id=3181, vol=2.160000e+07
assign (resid 25 and name HD1) (resid 25 and name HG1) 2.884 1.040 1.040 weight 1.000 ! spec=HCH, no=84, id=3182, vol=2.230000e+07
assign (resid 25 and name HG2) (resid 24 and name HA) 3.701 1.712 1.712 weight 1.000 ! spec=HCH, no=89, id=3186, vol=4.990000e+06
assign (resid 25 and name HG2) (resid 24 and name HB1) 3.515 1.544 1.544 weight 1.000 ! spec=HCH, no=90, id=3187, vol=6.800000e+06
assign (resid 25 and name HG1) (resid 25 and name HA) 3.449 1.487 1.487 weight 1.000 ! spec=HCH, no=92, id=3189, vol=7.620000e+06
assign (resid 25 and name HG1) (resid 25 and name HB1) 2.956 1.092 1.092 weight 1.000 ! spec=HCH, no=94, id=3191, vol=1.920000e+07
assign (resid 25 and name HG1) (resid 25 and name HG2) 2.405 0.723 0.723 weight 1.000 ! spec=HCH, no=98, id=3194, vol=6.620000e+07
assign (resid 26 and name HB2) (resid 26 and name HA) 2.725 0.928 0.928 weight 1.000 ! spec=HCH, no=106, id=3201, vol=3.130000e+07
assign (resid 26 and name HB1) (resid 26 and name HA) 2.659 0.884 0.884 weight 1.000 ! spec=HCH, no=107, id=3202, vol=3.630000e+07
assign (resid 26 and name HB1) (resid 26 and name HB2) 2.301 0.662 0.662 weight 1.000 ! spec=HCH, no=109, id=3203, vol=8.630000e+07
assign (resid 27 and name HA) (resid 27 and name HB2) 2.279 0.649 0.649 weight 1.000 ! spec=HCH, no=113, id=3205, vol=9.150000e+07
assign (resid 27 and name HA) (resid 27 and name HB1) 2.342 0.686 0.686 weight 1.000 ! spec=HCH, no=114, id=3206, vol=7.770000e+07
assign (resid 27 and name HA) (resid 29 and name HB2) 3.771 1.778 1.778 weight 1.000 ! spec=HCH, no=115, id=3207, vol=4.460000e+06
assign (resid 27 and name HB1) (resid 27 and name HB2) 1.985 0.492 0.492 weight 1.000 ! spec=HCH, no=118, id=3210, vol=2.100000e+08
assign (resid 29 and name HN) (resid 28 and name HA) 3.063 1.173 1.173 weight 1.000 ! spec=HCH, no=126, id=3216, vol=1.550000e+07
assign (resid 28 and name HB) (resid 28 and name HA) 2.439 0.744 0.744 weight 1.000 ! spec=HCH, no=130, id=3220, vol=6.090000e+07
assign (resid 29 and name HN) (resid 28 and name HB) 3.238 1.311 1.311 weight 1.000 ! spec=HCH, no=133, id=3222, vol=1.110000e+07
assign (resid 28 and name HB) (resid 29 and name HA) 4.060 2.060 2.060 weight 1.000 ! spec=HCH, no=134, id=3223, vol=2.860000e+06
assign (resid 28 and name HB) (resid 38 and name HG11) 3.639 1.655 1.655 weight 1.000 ! spec=HCH, no=136, id=3225, vol=5.520000e+06
assign (resid 28 and name HB) (resid 38 and name HD12) 2.708 0.916 0.916 weight 1.000 ! spec=HCH, no=137, id=3226, vol=3.250000e+07
    or (resid 28 and name HB) (resid 38 and name HD11)
    or (resid 28 and name HB) (resid 38 and name HD13)
assign (resid 28 and name HG21) (resid 82 and name HG2) 3.310 1.369 1.369 weight 1.000 ! spec=HCH, no=141, id=3230, vol=9.760000e+06
    or (resid 28 and name HG22) (resid 82 and name HG2)
    or (resid 28 and name HG23) (resid 82 and name HG2)
assign (resid 28 and name HG21) (resid 39 and name HN) 3.604 1.624 1.624 weight 1.000 ! spec=HCH, no=144, id=3233, vol=5.850000e+06
    or (resid 28 and name HG22) (resid 39 and name HN)
    or (resid 28 and name HG23) (resid 39 and name HN)
assign (resid 29 and name HN) (resid 28 and name HG21) 3.181 1.265 1.265 weight 1.000 ! spec=HCH, no=147, id=3236, vol=1.240000e+07
    or (resid 29 and name HN) (resid 28 and name HG22)
    or (resid 29 and name HN) (resid 28 and name HG23)
assign (resid 28 and name HG21) (resid 29 and name HA) 3.374 1.423 1.423 weight 1.000 ! spec=HCH, no=150, id=3238, vol=8.690000e+06
    or (resid 28 and name HG22) (resid 29 and name HA)
    or (resid 28 and name HG23) (resid 29 and name HA)
assign (resid 28 and name HA) (resid 28 and name HG21) 2.310 0.667 0.667 weight 1.000 ! spec=HCH, no=152, id=3240, vol=8.450000e+07
    or (resid 28 and name HA) (resid 28 and name HG22)
    or (resid 28 and name HA) (resid 28 and name HG23)
assign (resid 28 and name HB) (resid 28 and name HG21) 2.187 0.598 0.598 weight 1.000 ! spec=HCH, no=153, id=3241, vol=1.170000e+08
    or (resid 28 and name HB) (resid 28 and name HG22)
    or (resid 28 and name HB) (resid 28 and name HG23)
assign (resid 28 and name HG21) (resid 28 and name HG22) 1.084 0.147 0.147 weight 1.000 ! spec=HCH, no=154, id=3242, vol=7.910000e+09
    or (resid 28 and name HG21) (resid 28 and name HG23)
    or (resid 28 and name HG21) (resid 28 and name HG22)
    or (resid 28 and name HG22) (resid 28 and name HG23)
    or (resid 28 and name HG21) (resid 28 and name HG23)
    or (resid 28 and name HG22) (resid 28 and name HG23)
assign (resid 28 and name HG21) (resid 29 and name HE1) 3.914 1.915 1.915 weight 1.000 ! spec=HCH, no=157, id=3245, vol=3.570000e+06
    or (resid 28 and name HG22) (resid 29 and name HE1)
    or (resid 28 and name HG23) (resid 29 and name HE1)
assign (resid 28 and name HG21) (resid 38 and name HB) 3.128 1.223 1.223 weight 1.000 ! spec=HCH, no=158, id=3246, vol=1.370000e+07
    or (resid 28 and name HG22) (resid 38 and name HB)
    or (resid 28 and name HG23) (resid 38 and name HB)
assign (resid 28 and name HG21) (resid 38 and name HG12) 2.864 1.025 1.025 weight 1.000 ! spec=HCH, no=159, id=3247, vol=2.320000e+07
    or (resid 28 and name HG22) (resid 38 and name HG12)
    or (resid 28 and name HG23) (resid 38 and name HG12)
assign (resid 28 and name HG21) (resid 38 and name HG11) 2.576 0.829 0.829 weight 1.000 ! spec=HCH, no=160, id=3248, vol=4.390000e+07
    or (resid 28 and name HG22) (resid 38 and name HG11)
    or (resid 28 and name HG23) (resid 38 and name HG11)
assign (resid 28 and name HG21) (resid 38 and name HD12) 2.278 0.649 0.649 weight 1.000 ! spec=HCH, no=161, id=3249, vol=9.170000e+07
    or (resid 28 and name HG21) (resid 38 and name HD11)
    or (resid 28 and name HG21) (resid 38 and name HD13)
    or (resid 28 and name HG22) (resid 38 and name HD12)
    or (resid 28 and name HG22) (resid 38 and name HD11)
    or (resid 28 and name HG22) (resid 38 and name HD13)
    or (resid 28 and name HG23) (resid 38 and name HD12)
    or (resid 28 and name HG23) (resid 38 and name HD11)
    or (resid 28 and name HG23) (resid 38 and name HD13)
assign (resid 28 and name HG21) (resid 38 and name HG22) 3.262 1.330 1.330 weight 1.000 ! spec=HCH, no=162, id=3250, vol=1.070000e+07
    or (resid 28 and name HG21) (resid 38 and name HG21)
    or (resid 28 and name HG21) (resid 38 and name HG23)
    or (resid 28 and name HG22) (resid 38 and name HG22)
    or (resid 28 and name HG22) (resid 38 and name HG21)
    or (resid 28 and name HG22) (resid 38 and name HG23)
    or (resid 28 and name HG23) (resid 38 and name HG22)
    or (resid 28 and name HG23) (resid 38 and name HG21)
    or (resid 28 and name HG23) (resid 38 and name HG23)
assign (resid 29 and name HA) (resid 29 and name HB2) 2.685 0.901 0.901 weight 1.000 ! spec=HCH, no=163, id=3251, vol=3.420000e+07
assign (resid 30 and name HN) (resid 29 and name HA) 2.592 0.840 0.840 weight 1.000 ! spec=HCH, no=164, id=3252, vol=4.230000e+07
assign (resid 30 and name HN) (resid 29 and name HB2) 3.665 1.679 1.679 weight 1.000 ! spec=HCH, no=168, id=3256, vol=5.290000e+06
assign (resid 29 and name HB2) (resid 37 and name HN) 3.935 1.936 1.936 weight 1.000 ! spec=HCH, no=169, id=3257, vol=3.450000e+06
assign (resid 30 and name HB) (resid 29 and name HA) 3.603 1.622 1.622 weight 1.000 ! spec=HCH, no=175, id=3263, vol=5.860000e+06
assign (resid 30 and name HB) (resid 74 and name HE1) 3.396 1.442 1.442 weight 1.000 ! spec=HCH, no=183, id=3269, vol=8.350000e+06
assign (resid 30 and name HB) (resid 30 and name HA) 3.072 1.180 1.180 weight 1.000 ! spec=HCH, no=187, id=3273, vol=1.530000e+07
assign (resid 30 and name HB) (resid 31 and name HN) 3.602 1.622 1.622 weight 1.000 ! spec=HCH, no=191, id=3276, vol=5.870000e+06
assign (resid 30 and name HB) (resid 31 and name HA) 3.612 1.631 1.631 weight 1.000 ! spec=HCH, no=192, id=3277, vol=5.780000e+06
assign (resid 30 and name HB) (resid 37 and name HA) 3.983 1.983 1.983 weight 1.000 ! spec=HCH, no=193, id=3278, vol=3.210000e+06
assign (resid 30 and name HB) (resid 83 and name HZ2) 3.216 1.293 1.293 weight 1.000 ! spec=HCH, no=195, id=3280, vol=1.160000e+07
assign (resid 30 and name HD12) (resid 37 and name HA) 4.027 2.027 2.027 weight 1.000 ! spec=HCH, no=196, id=3281, vol=3.010000e+06
    or (resid 30 and name HD11) (resid 37 and name HA)
    or (resid 30 and name HD13) (resid 37 and name HA)
assign (resid 30 and name HD12) (resid 78 and name HG21) 2.258 0.637 0.637 weight 1.000 ! spec=HCH, no=198, id=3283, vol=9.680000e+07
    or (resid 30 and name HD12) (resid 78 and name HG22)
    or (resid 30 and name HD12) (resid 78 and name HG23)
    or (resid 30 and name HD11) (resid 78 and name HG21)
    or (resid 30 and name HD11) (resid 78 and name HG22)
    or (resid 30 and name HD11) (resid 78 and name HG23)
    or (resid 30 and name HD13) (resid 78 and name HG21)
    or (resid 30 and name HD13) (resid 78 and name HG22)
    or (resid 30 and name HD13) (resid 78 and name HG23)
assign (resid 30 and name HD12) (resid 78 and name HA) 3.462 1.498 1.498 weight 1.000 ! spec=HCH, no=200, id=3285, vol=7.450000e+06
    or (resid 30 and name HD11) (resid 78 and name HA)
    or (resid 30 and name HD13) (resid 78 and name HA)
assign (resid 30 and name HD12) (resid 29 and name HA) 3.412 1.455 1.455 weight 1.000 ! spec=HCH, no=201, id=3286, vol=8.130000e+06
    or (resid 30 and name HD11) (resid 29 and name HA)
    or (resid 30 and name HD13) (resid 29 and name HA)
assign (resid 30 and name HN) (resid 30 and name HD12) 3.249 1.320 1.320 weight 1.000 ! spec=HCH, no=203, id=3288, vol=1.090000e+07
    or (resid 30 and name HN) (resid 30 and name HD11)
    or (resid 30 and name HN) (resid 30 and name HD13)
assign (resid 30 and name HD12) (resid 30 and name HA) 2.865 1.026 1.026 weight 1.000 ! spec=HCH, no=204, id=3289, vol=2.320000e+07
    or (resid 30 and name HD11) (resid 30 and name HA)
    or (resid 30 and name HD13) (resid 30 and name HA)
assign (resid 30 and name HB) (resid 30 and name HD12) 2.367 0.700 0.700 weight 1.000 ! spec=HCH, no=205, id=3290, vol=7.290000e+07
    or (resid 30 and name HB) (resid 30 and name HD11)
    or (resid 30 and name HB) (resid 30 and name HD13)
assign (resid 30 and name HD12) (resid 30 and name HG12) 2.128 0.566 0.566 weight 1.000 ! spec=HCH, no=206, id=3291, vol=1.380000e+08
    or (resid 30 and name HD11) (resid 30 and name HG12)
    or (resid 30 and name HD13) (resid 30 and name HG12)
assign (resid 30 and name HD12) (resid 82 and name HB1) 2.171 0.589 0.589 weight 1.000 ! spec=HCH, no=209, id=3294, vol=1.220000e+08
    or (resid 30 and name HD11) (resid 82 and name HB1)
    or (resid 30 and name HD13) (resid 82 and name HB1)
assign (resid 82 and name HE22) (resid 30 and name HD12) 2.862 1.024 1.024 weight 1.000 ! spec=HCH, no=210, id=3295, vol=2.330000e+07
    or (resid 82 and name HE22) (resid 30 and name HD11)
    or (resid 82 and name HE22) (resid 30 and name HD13)
assign (resid 30 and name HD12) (resid 82 and name HG2) 2.367 0.700 0.700 weight 1.000 ! spec=HCH, no=211, id=3296, vol=7.290000e+07
    or (resid 30 and name HD11) (resid 82 and name HG2)
    or (resid 30 and name HD13) (resid 82 and name HG2)
assign (resid 30 and name HG12) (resid 30 and name HA) 2.821 0.995 0.995 weight 1.000 ! spec=HCH, no=214, id=3299, vol=2.540000e+07
assign (resid 30 and name HG12) (resid 30 and name HG11) 2.106 0.554 0.554 weight 1.000 ! spec=HCH, no=215, id=3300, vol=1.470000e+08
assign (resid 30 and name HN) (resid 30 and name HG11) 3.145 1.236 1.236 weight 1.000 ! spec=HCH, no=223, id=3308, vol=1.330000e+07
assign (resid 30 and name HG11) (resid 30 and name HA) 3.136 1.229 1.229 weight 1.000 ! spec=HCH, no=224, id=3309, vol=1.350000e+07
assign (resid 30 and name HG12) (resid 30 and name HB) 3.034 1.151 1.151 weight 1.000 ! spec=HCH, no=225, id=3310, vol=1.640000e+07
assign (resid 30 and name HB) (resid 30 and name HG11) 2.658 0.883 0.883 weight 1.000 ! spec=HCH, no=226, id=3311, vol=3.640000e+07
assign (resid 30 and name HG11) (resid 30 and name HD12) 2.510 0.788 0.788 weight 1.000 ! spec=HCH, no=229, id=3313, vol=5.130000e+07
    or (resid 30 and name HG11) (resid 30 and name HD11)
    or (resid 30 and name HG11) (resid 30 and name HD13)
assign (resid 30 and name HG11) (resid 78 and name HG21) 3.456 1.493 1.493 weight 1.000 ! spec=HCH, no=234, id=3318, vol=7.520000e+06
    or (resid 30 and name HG11) (resid 78 and name HG22)
    or (resid 30 and name HG11) (resid 78 and name HG23)
assign (resid 82 and name HE22) (resid 30 and name HG12) 3.796 1.801 1.801 weight 1.000 ! spec=HCH, no=235, id=3319, vol=4.290000e+06
assign (resid 32 and name HN) (resid 30 and name HG22) 3.424 1.466 1.466 weight 1.000 ! spec=HCH, no=242, id=3324, vol=7.950000e+06
    or (resid 32 and name HN) (resid 30 and name HG21)
    or (resid 32 and name HN) (resid 30 and name HG23)
assign (resid 30 and name HG22) (resid 78 and name HN) 3.854 1.857 1.857 weight 1.000 ! spec=HCH, no=248, id=3330, vol=3.910000e+06
    or (resid 30 and name HG21) (resid 78 and name HN)
    or (resid 30 and name HG23) (resid 78 and name HN)
assign (resid 30 and name HN) (resid 30 and name HG22) 3.016 1.137 1.137 weight 1.000 ! spec=HCH, no=251, id=3333, vol=1.710000e+07
    or (resid 30 and name HN) (resid 30 and name HG21)
    or (resid 30 and name HN) (resid 30 and name HG23)
assign (resid 30 and name HG22) (resid 30 and name HA) 2.310 0.667 0.667 weight 1.000 ! spec=HCH, no=252, id=3334, vol=8.450000e+07
    or (resid 30 and name HG21) (resid 30 and name HA)
    or (resid 30 and name HG23) (resid 30 and name HA)
assign (resid 30 and name HB) (resid 30 and name HG22) 2.152 0.579 0.579 weight 1.000 ! spec=HCH, no=253, id=3335, vol=1.290000e+08
    or (resid 30 and name HB) (resid 30 and name HG21)
    or (resid 30 and name HB) (resid 30 and name HG23)
assign (resid 30 and name HG11) (resid 30 and name HG22) 2.494 0.778 0.778 weight 1.000 ! spec=HCH, no=254, id=3336, vol=5.320000e+07
    or (resid 30 and name HG11) (resid 30 and name HG21)
    or (resid 30 and name HG11) (resid 30 and name HG23)
assign (resid 30 and name HG22) (resid 30 and name HD12) 2.147 0.576 0.576 weight 1.000 ! spec=HCH, no=255, id=3337, vol=1.310000e+08
    or (resid 30 and name HG22) (resid 30 and name HD11)
    or (resid 30 and name HG22) (resid 30 and name HD13)
    or (resid 30 and name HG21) (resid 30 and name HD12)
    or (resid 30 and name HG21) (resid 30 and name HD11)
    or (resid 30 and name HG21) (resid 30 and name HD13)
    or (resid 30 and name HG23) (resid 30 and name HD12)
    or (resid 30 and name HG23) (resid 30 and name HD11)
    or (resid 30 and name HG23) (resid 30 and name HD13)
assign (resid 30 and name HG22) (resid 30 and name HG21) 1.215 0.185 0.185 weight 1.000 ! spec=HCH, no=256, id=3338, vol=3.980000e+09
    or (resid 30 and name HG22) (resid 30 and name HG23)
    or (resid 30 and name HG22) (resid 30 and name HG21)
    or (resid 30 and name HG21) (resid 30 and name HG23)
    or (resid 30 and name HG22) (resid 30 and name HG23)
    or (resid 30 and name HG21) (resid 30 and name HG23)
assign (resid 31 and name HN) (resid 30 and name HG22) 2.370 0.702 0.702 weight 1.000 ! spec=HCH, no=257, id=3339, vol=7.230000e+07
    or (resid 31 and name HN) (resid 30 and name HG21)
    or (resid 31 and name HN) (resid 30 and name HG23)
assign (resid 30 and name HG22) (resid 31 and name HA) 3.433 1.474 1.474 weight 1.000 ! spec=HCH, no=258, id=3340, vol=7.830000e+06
    or (resid 30 and name HG21) (resid 31 and name HA)
    or (resid 30 and name HG23) (resid 31 and name HA)
assign (resid 30 and name HG22) (resid 36 and name HA) 3.607 1.626 1.626 weight 1.000 ! spec=HCH, no=259, id=3341, vol=5.820000e+06
    or (resid 30 and name HG21) (resid 36 and name HA)
    or (resid 30 and name HG23) (resid 36 and name HA)
assign (resid 37 and name HN) (resid 30 and name HG22) 3.489 1.521 1.521 weight 1.000 ! spec=HCH, no=260, id=3342, vol=7.110000e+06
    or (resid 37 and name HN) (resid 30 and name HG21)
    or (resid 37 and name HN) (resid 30 and name HG23)
assign (resid 30 and name HG22) (resid 37 and name HB2) 3.409 1.452 1.452 weight 1.000 ! spec=HCH, no=261, id=3343, vol=8.180000e+06
    or (resid 30 and name HG21) (resid 37 and name HB2)
    or (resid 30 and name HG23) (resid 37 and name HB2)
assign (resid 30 and name HG22) (resid 37 and name HB1) 2.998 1.124 1.124 weight 1.000 ! spec=HCH, no=262, id=3344, vol=1.770000e+07
    or (resid 30 and name HG21) (resid 37 and name HB1)
    or (resid 30 and name HG23) (resid 37 and name HB1)
assign (resid 30 and name HG22) (resid 37 and name HD1) 2.935 1.077 1.077 weight 1.000 ! spec=HCH, no=263, id=3345, vol=2.000000e+07
    or (resid 30 and name HG21) (resid 37 and name HD1)
    or (resid 30 and name HG23) (resid 37 and name HD1)
assign (resid 30 and name HG22) (resid 78 and name HA) 3.826 1.830 1.830 weight 1.000 ! spec=HCH, no=266, id=3348, vol=4.090000e+06
    or (resid 30 and name HG21) (resid 78 and name HA)
    or (resid 30 and name HG23) (resid 78 and name HA)
assign (resid 30 and name HG22) (resid 78 and name HG21) 2.697 0.909 0.909 weight 1.000 ! spec=HCH, no=267, id=3349, vol=3.330000e+07
    or (resid 30 and name HG22) (resid 78 and name HG22)
    or (resid 30 and name HG22) (resid 78 and name HG23)
    or (resid 30 and name HG21) (resid 78 and name HG21)
    or (resid 30 and name HG21) (resid 78 and name HG22)
    or (resid 30 and name HG21) (resid 78 and name HG23)
    or (resid 30 and name HG23) (resid 78 and name HG21)
    or (resid 30 and name HG23) (resid 78 and name HG22)
    or (resid 30 and name HG23) (resid 78 and name HG23)
assign (resid 30 and name HG22) (resid 81 and name HE2) 3.614 1.632 1.632 weight 1.000 ! spec=HCH, no=268, id=3350, vol=5.760000e+06
    or (resid 30 and name HG21) (resid 81 and name HE2)
    or (resid 30 and name HG23) (resid 81 and name HE2)
assign (resid 30 and name HG22) (resid 82 and name HN) 3.950 1.950 1.950 weight 1.000 ! spec=HCH, no=269, id=3351, vol=3.380000e+06
    or (resid 30 and name HG21) (resid 82 and name HN)
    or (resid 30 and name HG23) (resid 82 and name HN)
assign (resid 31 and name HA) (resid 31 and name HB2) 2.598 0.844 0.844 weight 1.000 ! spec=HCH, no=278, id=3360, vol=4.170000e+07
    or (resid 31 and name HA) (resid 31 and name HB1)
assign (resid 31 and name HA) (resid 32 and name HA) 4.009 2.009 2.009 weight 1.000 ! spec=HCH, no=282, id=3364, vol=3.090000e+06
assign (resid 31 and name HA) (resid 36 and name HA) 2.840 1.008 1.008 weight 1.000 ! spec=HCH, no=283, id=3365, vol=2.450000e+07
assign (resid 31 and name HA) (resid 36 and name HB2) 3.666 1.680 1.680 weight 1.000 ! spec=HCH, no=284, id=3366, vol=5.280000e+06
assign (resid 31 and name HB2) (resid 24 and name HA) 3.942 1.942 1.942 weight 1.000 ! spec=HCH, no=288, id=3370, vol=3.420000e+06
assign (resid 31 and name HA) (resid 31 and name HB2) 2.914 1.061 1.061 weight 1.000 ! spec=HCH, no=290, id=3372, vol=2.100000e+07
assign (resid 31 and name HB2) (resid 157 and name HD12) 3.264 1.332 1.332 weight 1.000 ! spec=HCH, no=291, id=3373, vol=1.060000e+07
    or (resid 31 and name HB2) (resid 157 and name HD11)
    or (resid 31 and name HB2) (resid 157 and name HD13)
assign (resid 31 and name HG2) (resid 34 and name HA) 3.191 1.273 1.273 weight 1.000 ! spec=HCH, no=293, id=3375, vol=1.210000e+07
assign (resid 31 and name HG2) (resid 31 and name HN) 3.357 1.409 1.409 weight 1.000 ! spec=HCH, no=302, id=3384, vol=8.960000e+06
assign (resid 31 and name HG1) (resid 31 and name HN) 3.284 1.348 1.348 weight 1.000 ! spec=HCH, no=303, id=3385, vol=1.020000e+07
assign (resid 31 and name HG2) (resid 31 and name HA) 3.027 1.145 1.145 weight 1.000 ! spec=HCH, no=304, id=3386, vol=1.670000e+07
assign (resid 31 and name HG1) (resid 31 and name HA) 2.931 1.074 1.074 weight 1.000 ! spec=HCH, no=305, id=3387, vol=2.020000e+07
assign (resid 31 and name HG2) (resid 32 and name HN) 3.053 1.165 1.165 weight 1.000 ! spec=HCH, no=308, id=3390, vol=1.580000e+07
assign (resid 31 and name HG2) (resid 157 and name HD12) 2.883 1.039 1.039 weight 1.000 ! spec=HCH, no=310, id=3392, vol=2.230000e+07
    or (resid 31 and name HG2) (resid 157 and name HD11)
    or (resid 31 and name HG2) (resid 157 and name HD13)
assign (resid 32 and name HN) (resid 32 and name HA) 2.981 1.111 1.111 weight 1.000 ! spec=HCH, no=317, id=3399, vol=1.830000e+07
assign (resid 32 and name HA) (resid 32 and name HB2) 2.644 0.874 0.874 weight 1.000 ! spec=HCH, no=318, id=3400, vol=3.750000e+07
assign (resid 32 and name HA) (resid 32 and name HB1) 2.652 0.879 0.879 weight 1.000 ! spec=HCH, no=319, id=3401, vol=3.690000e+07
assign (resid 32 and name HA) (resid 33 and name HA) 3.183 1.266 1.266 weight 1.000 ! spec=HCH, no=322, id=3404, vol=1.230000e+07
assign (resid 32 and name HA) (resid 33 and name HG1) 2.984 1.113 1.113 weight 1.000 ! spec=HCH, no=323, id=3405, vol=1.820000e+07
assign (resid 32 and name HB2) (resid 32 and name HB1) 2.507 0.786 0.786 weight 1.000 ! spec=HCH, no=325, id=3407, vol=5.170000e+07
assign (resid 32 and name HB2) (resid 32 and name HD1) 2.838 1.006 1.006 weight 1.000 ! spec=HCH, no=333, id=3415, vol=2.460000e+07
assign (resid 32 and name HB2) (resid 37 and name HD1) 3.404 1.448 1.448 weight 1.000 ! spec=HCH, no=337, id=3419, vol=8.250000e+06
assign (resid 32 and name HB1) (resid 74 and name HE1) 3.757 1.764 1.764 weight 1.000 ! spec=HCH, no=342, id=3424, vol=4.560000e+06
assign (resid 32 and name HB1) (resid 74 and name HE2) 3.774 1.780 1.780 weight 1.000 ! spec=HCH, no=343, id=3425, vol=4.440000e+06
assign (resid 33 and name HA) (resid 33 and name HB2) 2.405 0.723 0.723 weight 1.000 ! spec=HCH, no=345, id=3427, vol=6.620000e+07
    or (resid 33 and name HA) (resid 33 and name HB1)
assign (resid 33 and name HE21) (resid 33 and name HA) 3.826 1.830 1.830 weight 1.000 ! spec=HCH, no=351, id=3432, vol=4.090000e+06
assign (resid 33 and name HA) (resid 33 and name HG2) 2.830 1.001 1.001 weight 1.000 ! spec=HCH, no=352, id=3433, vol=2.500000e+07
assign (resid 33 and name HA) (resid 33 and name HG1) 2.572 0.827 0.827 weight 1.000 ! spec=HCH, no=353, id=3434, vol=4.430000e+07
assign (resid 33 and name HA) (resid 34 and name HA) 3.841 1.844 1.844 weight 1.000 ! spec=HCH, no=354, id=3435, vol=3.990000e+06
assign (resid 33 and name HN) (resid 33 and name HB2) 3.543 1.569 1.569 weight 1.000 ! spec=HCH, no=358, id=3439, vol=6.480000e+06
assign (resid 33 and name HA) (resid 33 and name HB2) 2.771 0.960 0.960 weight 1.000 ! spec=HCH, no=359, id=3440, vol=2.830000e+07
assign (resid 33 and name HE21) (resid 33 and name HB2) 3.447 1.486 1.486 weight 1.000 ! spec=HCH, no=360, id=3441, vol=7.640000e+06
assign (resid 33 and name HB2) (resid 34 and name HB2) 3.812 1.817 1.817 weight 1.000 ! spec=HCH, no=363, id=3443, vol=4.180000e+06
assign (resid 33 and name HG1) (resid 33 and name HG2) 2.220 0.616 0.616 weight 1.000 ! spec=HCH, no=377, id=3456, vol=1.070000e+08
assign (resid 33 and name HB2) (resid 33 and name HG2) 2.578 0.831 0.831 weight 1.000 ! spec=HCH, no=380, id=3458, vol=4.370000e+07
assign (resid 33 and name HB2) (resid 33 and name HG1) 2.358 0.695 0.695 weight 1.000 ! spec=HCH, no=381, id=3459, vol=7.460000e+07
assign (resid 34 and name HB2) (resid 34 and name HA) 2.464 0.759 0.759 weight 1.000 ! spec=HCH, no=397, id=3474, vol=5.730000e+07
assign (resid 35 and name HA) (resid 35 and name HB1) 3.110 1.209 1.209 weight 1.000 ! spec=HCH, no=405, id=3480, vol=1.420000e+07
assign (resid 35 and name HA) (resid 156 and name HA) 2.675 0.894 0.894 weight 1.000 ! spec=HCH, no=407, id=3482, vol=3.500000e+07
assign (resid 35 and name HA) (resid 156 and name HB2) 2.941 1.081 1.081 weight 1.000 ! spec=HCH, no=408, id=3483, vol=1.980000e+07
    or (resid 35 and name HA) (resid 156 and name HB1)
    or (resid 35 and name HA) (resid 156 and name HB3)
assign (resid 35 and name HA) (resid 157 and name HG11) 2.941 1.081 1.081 weight 1.000 ! spec=HCH, no=409, id=3484, vol=1.980000e+07
assign (resid 35 and name HA) (resid 157 and name HD12) 3.191 1.273 1.273 weight 1.000 ! spec=HCH, no=410, id=3485, vol=1.220000e+07
    or (resid 35 and name HA) (resid 157 and name HD11)
    or (resid 35 and name HA) (resid 157 and name HD13)
assign (resid 35 and name HB1) (resid 37 and name HE1) 3.119 1.216 1.216 weight 1.000 ! spec=HCH, no=413, id=3488, vol=1.390000e+07
    or (resid 35 and name HB1) (resid 37 and name HE2)
assign (resid 35 and name HN) (resid 35 and name HB2) 3.049 1.162 1.162 weight 1.000 ! spec=HCH, no=414, id=3489, vol=1.600000e+07
assign (resid 35 and name HA) (resid 35 and name HB2) 2.820 0.994 0.994 weight 1.000 ! spec=HCH, no=416, id=3491, vol=2.550000e+07
assign (resid 35 and name HB1) (resid 35 and name HB2) 2.399 0.719 0.719 weight 1.000 ! spec=HCH, no=420, id=3494, vol=6.730000e+07
assign (resid 36 and name HN) (resid 35 and name HB2) 2.781 0.967 0.967 weight 1.000 ! spec=HCH, no=422, id=3495, vol=2.770000e+07
assign (resid 35 and name HB2) (resid 154 and name HG2) 3.102 1.203 1.203 weight 1.000 ! spec=HCH, no=426, id=3499, vol=1.440000e+07
assign (resid 35 and name HB1) (resid 154 and name HG2) 3.626 1.644 1.644 weight 1.000 ! spec=HCH, no=427, id=3500, vol=5.640000e+06
assign (resid 35 and name HB2) (resid 154 and name HG1) 3.350 1.403 1.403 weight 1.000 ! spec=HCH, no=428, id=3501, vol=9.080000e+06
assign (resid 35 and name HB1) (resid 154 and name HG1) 3.669 1.683 1.683 weight 1.000 ! spec=HCH, no=429, id=3502, vol=5.260000e+06
assign (resid 35 and name HB1) (resid 154 and name HD2) 3.746 1.754 1.754 weight 1.000 ! spec=HCH, no=431, id=3504, vol=4.640000e+06
assign (resid 35 and name HB2) (resid 154 and name HE2) 3.239 1.311 1.311 weight 1.000 ! spec=HCH, no=432, id=3505, vol=1.110000e+07
assign (resid 35 and name HB1) (resid 154 and name HE2) 3.540 1.567 1.567 weight 1.000 ! spec=HCH, no=433, id=3506, vol=6.510000e+06
assign (resid 35 and name HB2) (resid 156 and name HA) 3.270 1.337 1.337 weight 1.000 ! spec=HCH, no=435, id=3508, vol=1.050000e+07
assign (resid 35 and name HB1) (resid 156 and name HA) 3.476 1.511 1.511 weight 1.000 ! spec=HCH, no=436, id=3509, vol=7.270000e+06
assign (resid 36 and name HA) (resid 74 and name HE1) 4.222 2.229 2.229 weight 1.000 ! spec=HCH, no=448, id=3521, vol=2.260000e+06
assign (resid 36 and name HA) (resid 154 and name HG1) 3.698 1.710 1.710 weight 1.000 ! spec=HCH, no=457, id=3530, vol=5.010000e+06
assign (resid 36 and name HN) (resid 36 and name HA) 3.020 1.140 1.140 weight 1.000 ! spec=HCH, no=463, id=3536, vol=1.690000e+07
assign (resid 36 and name HA) (resid 36 and name HB2) 3.037 1.153 1.153 weight 1.000 ! spec=HCH, no=465, id=3537, vol=1.630000e+07
assign (resid 36 and name HA) (resid 36 and name HB1) 3.027 1.145 1.145 weight 1.000 ! spec=HCH, no=466, id=3538, vol=1.670000e+07
assign (resid 36 and name HA) (resid 37 and name HB1) 3.396 1.442 1.442 weight 1.000 ! spec=HCH, no=468, id=3540, vol=8.360000e+06
assign (resid 36 and name HA) (resid 37 and name HE1) 3.206 1.285 1.285 weight 1.000 ! spec=HCH, no=470, id=3542, vol=1.180000e+07
assign (resid 36 and name HA) (resid 155 and name HG21) 3.601 1.621 1.621 weight 1.000 ! spec=HCH, no=471, id=3543, vol=5.880000e+06
    or (resid 36 and name HA) (resid 155 and name HG22)
    or (resid 36 and name HA) (resid 155 and name HG23)
assign (resid 36 and name HA) (resid 157 and name HG22) 3.752 1.760 1.760 weight 1.000 ! spec=HCH, no=472, id=3544, vol=4.590000e+06
    or (resid 36 and name HA) (resid 157 and name HG21)
    or (resid 36 and name HA) (resid 157 and name HG23)
assign (resid 36 and name HB2) (resid 24 and name HA) 4.032 2.032 2.032 weight 1.000 ! spec=HCH, no=478, id=3550, vol=2.990000e+06
assign (resid 36 and name HB1) (resid 24 and name HA) 3.750 1.757 1.757 weight 1.000 ! spec=HCH, no=479, id=3551, vol=4.610000e+06
assign (resid 36 and name HB2) (resid 25 and name HD2) 4.113 2.114 2.114 weight 1.000 ! spec=HCH, no=480, id=3552, vol=2.650000e+06
assign (resid 36 and name HB1) (resid 25 and name HD2) 3.934 1.935 1.935 weight 1.000 ! spec=HCH, no=481, id=3553, vol=3.460000e+06
assign (resid 36 and name HB1) (resid 31 and name HA) 4.181 2.185 2.185 weight 1.000 ! spec=HCH, no=485, id=3557, vol=2.400000e+06
assign (resid 36 and name HB2) (resid 35 and name HA) 4.009 2.009 2.009 weight 1.000 ! spec=HCH, no=486, id=3558, vol=3.090000e+06
assign (resid 36 and name HB1) (resid 36 and name HB2) 2.470 0.763 0.763 weight 1.000 ! spec=HCH, no=490, id=3561, vol=5.650000e+07
assign (resid 36 and name HB1) (resid 37 and name HN) 3.502 1.533 1.533 weight 1.000 ! spec=HCH, no=494, id=3564, vol=6.950000e+06
assign (resid 36 and name HB1) (resid 156 and name HA) 4.102 2.103 2.103 weight 1.000 ! spec=HCH, no=502, id=3572, vol=2.690000e+06
assign (resid 37 and name HA) (resid 83 and name HH2) 3.505 1.536 1.536 weight 1.000 ! spec=HCH, no=505, id=3575, vol=6.910000e+06
assign (resid 37 and name HA) (resid 37 and name HE1) 3.697 1.708 1.708 weight 1.000 ! spec=HCH, no=507, id=3577, vol=5.020000e+06
    or (resid 37 and name HA) (resid 37 and name HE2)
assign (resid 37 and name HA) (resid 38 and name HA) 3.924 1.925 1.925 weight 1.000 ! spec=HCH, no=508, id=3578, vol=3.510000e+06
assign (resid 153 and name HN) (resid 37 and name HA) 3.738 1.747 1.747 weight 1.000 ! spec=HCH, no=510, id=3580, vol=4.700000e+06
assign (resid 37 and name HA) (resid 29 and name HZ3) 3.993 1.993 1.993 weight 1.000 ! spec=HCH, no=513, id=3582, vol=3.160000e+06
assign (resid 37 and name HA) (resid 37 and name HN) 3.288 1.352 1.352 weight 1.000 ! spec=HCH, no=514, id=3583, vol=1.010000e+07
assign (resid 37 and name HA) (resid 37 and name HB2) 2.883 1.039 1.039 weight 1.000 ! spec=HCH, no=516, id=3584, vol=2.230000e+07
assign (resid 37 and name HA) (resid 37 and name HB1) 3.045 1.159 1.159 weight 1.000 ! spec=HCH, no=517, id=3585, vol=1.610000e+07
assign (resid 37 and name HA) (resid 37 and name HD1) 3.156 1.245 1.245 weight 1.000 ! spec=HCH, no=518, id=3586, vol=1.300000e+07
assign (resid 37 and name HA) (resid 152 and name HD12) 3.286 1.350 1.350 weight 1.000 ! spec=HCH, no=520, id=3588, vol=1.020000e+07
    or (resid 37 and name HA) (resid 152 and name HD11)
    or (resid 37 and name HA) (resid 152 and name HD13)
assign (resid 37 and name HA) (resid 152 and name HD22) 3.286 1.350 1.350 weight 1.000 ! spec=HCH, no=521, id=3589, vol=1.020000e+07
    or (resid 37 and name HA) (resid 152 and name HD21)
    or (resid 37 and name HA) (resid 152 and name HD23)
assign (resid 37 and name HA) (resid 153 and name HB2) 4.161 2.164 2.164 weight 1.000 ! spec=HCH, no=522, id=3590, vol=2.470000e+06
assign (resid 37 and name HA) (resid 153 and name HB1) 3.706 1.717 1.717 weight 1.000 ! spec=HCH, no=523, id=3591, vol=4.950000e+06
assign (resid 37 and name HA) (resid 154 and name HA) 2.716 0.922 0.922 weight 1.000 ! spec=HCH, no=524, id=3592, vol=3.200000e+07
assign (resid 37 and name HA) (resid 154 and name HB2) 3.545 1.571 1.571 weight 1.000 ! spec=HCH, no=525, id=3593, vol=6.460000e+06
assign (resid 37 and name HA) (resid 154 and name HG1) 3.761 1.768 1.768 weight 1.000 ! spec=HCH, no=526, id=3594, vol=4.530000e+06
assign (resid 37 and name HA) (resid 155 and name HB) 4.046 2.047 2.047 weight 1.000 ! spec=HCH, no=527, id=3595, vol=2.920000e+06
assign (resid 37 and name HB1) (resid 74 and name HE1) 3.742 1.751 1.751 weight 1.000 ! spec=HCH, no=532, id=3599, vol=4.670000e+06
assign (resid 37 and name HB2) (resid 37 and name HB1) 2.542 0.808 0.808 weight 1.000 ! spec=HCH, no=537, id=3604, vol=4.750000e+07
assign (resid 37 and name HB2) (resid 37 and name HD1) 2.807 0.985 0.985 weight 1.000 ! spec=HCH, no=539, id=3605, vol=2.620000e+07
assign (resid 37 and name HB2) (resid 152 and name HD22) 3.065 1.174 1.174 weight 1.000 ! spec=HCH, no=547, id=3613, vol=1.550000e+07
    or (resid 37 and name HB2) (resid 152 and name HD21)
    or (resid 37 and name HB2) (resid 152 and name HD23)
assign (resid 37 and name HB1) (resid 152 and name HD22) 3.162 1.250 1.250 weight 1.000 ! spec=HCH, no=548, id=3614, vol=1.280000e+07
    or (resid 37 and name HB1) (resid 152 and name HD21)
    or (resid 37 and name HB1) (resid 152 and name HD23)
assign (resid 38 and name HN) (resid 38 and name HA) 3.040 1.155 1.155 weight 1.000 ! spec=HCH, no=549, id=3615, vol=1.620000e+07
assign (resid 38 and name HA) (resid 38 and name HB) 2.699 0.911 0.911 weight 1.000 ! spec=HCH, no=550, id=3616, vol=3.320000e+07
assign (resid 38 and name HA) (resid 38 and name HG12) 2.886 1.041 1.041 weight 1.000 ! spec=HCH, no=551, id=3617, vol=2.220000e+07
assign (resid 38 and name HA) (resid 38 and name HG11) 2.690 0.904 0.904 weight 1.000 ! spec=HCH, no=552, id=3618, vol=3.390000e+07
assign (resid 39 and name HN) (resid 38 and name HA) 2.610 0.851 0.851 weight 1.000 ! spec=HCH, no=555, id=3621, vol=4.060000e+07
assign (resid 38 and name HA) (resid 83 and name HH2) 2.674 0.894 0.894 weight 1.000 ! spec=HCH, no=557, id=3623, vol=3.510000e+07
assign (resid 38 and name HB) (resid 29 and name HA) 3.714 1.724 1.724 weight 1.000 ! spec=HCH, no=559, id=3625, vol=4.890000e+06
assign (resid 38 and name HG22) (resid 29 and name HE3) 3.307 1.367 1.367 weight 1.000 ! spec=HCH, no=561, id=3627, vol=9.800000e+06
    or (resid 38 and name HG21) (resid 29 and name HE3)
    or (resid 38 and name HG23) (resid 29 and name HE3)
assign (resid 39 and name HN) (resid 38 and name HG22) 3.255 1.325 1.325 weight 1.000 ! spec=HCH, no=568, id=3633, vol=1.080000e+07
    or (resid 39 and name HN) (resid 38 and name HG21)
    or (resid 39 and name HN) (resid 38 and name HG23)
assign (resid 38 and name HD12) (resid 26 and name HN) 3.678 1.691 1.691 weight 1.000 ! spec=HCH, no=570, id=3635, vol=5.180000e+06
    or (resid 38 and name HD11) (resid 26 and name HN)
    or (resid 38 and name HD13) (resid 26 and name HN)
assign (resid 38 and name HD12) (resid 30 and name HG11) 4.098 2.100 2.100 weight 1.000 ! spec=HCH, no=579, id=3644, vol=2.710000e+06
    or (resid 38 and name HD11) (resid 30 and name HG11)
    or (resid 38 and name HD13) (resid 30 and name HG11)
assign (resid 38 and name HD12) (resid 25 and name HD2) 4.027 2.027 2.027 weight 1.000 ! spec=HCH, no=580, id=3645, vol=3.010000e+06
    or (resid 38 and name HD11) (resid 25 and name HD2)
    or (resid 38 and name HD13) (resid 25 and name HD2)
assign (resid 28 and name HA) (resid 38 and name HD12) 3.626 1.644 1.644 weight 1.000 ! spec=HCH, no=581, id=3646, vol=5.640000e+06
    or (resid 28 and name HA) (resid 38 and name HD11)
    or (resid 28 and name HA) (resid 38 and name HD13)
assign (resid 38 and name HD12) (resid 29 and name HA) 3.170 1.256 1.256 weight 1.000 ! spec=HCH, no=583, id=3648, vol=1.260000e+07
    or (resid 38 and name HD11) (resid 29 and name HA)
    or (resid 38 and name HD13) (resid 29 and name HA)
assign (resid 38 and name HD12) (resid 29 and name HZ2) 3.044 1.158 1.158 weight 1.000 ! spec=HCH, no=586, id=3651, vol=1.610000e+07
    or (resid 38 and name HD11) (resid 29 and name HZ2)
    or (resid 38 and name HD13) (resid 29 and name HZ2)
assign (resid 38 and name HD12) (resid 29 and name HB2) 3.645 1.661 1.661 weight 1.000 ! spec=HCH, no=588, id=3653, vol=5.470000e+06
    or (resid 38 and name HD11) (resid 29 and name HB2)
    or (resid 38 and name HD13) (resid 29 and name HB2)
assign (resid 30 and name HN) (resid 38 and name HD12) 4.081 2.082 2.082 weight 1.000 ! spec=HCH, no=589, id=3654, vol=2.780000e+06
    or (resid 30 and name HN) (resid 38 and name HD11)
    or (resid 30 and name HN) (resid 38 and name HD13)
assign (resid 38 and name HN) (resid 38 and name HD12) 3.641 1.658 1.658 weight 1.000 ! spec=HCH, no=590, id=3655, vol=5.500000e+06
    or (resid 38 and name HN) (resid 38 and name HD11)
    or (resid 38 and name HN) (resid 38 and name HD13)
assign (resid 38 and name HA) (resid 38 and name HD12) 2.919 1.065 1.065 weight 1.000 ! spec=HCH, no=591, id=3656, vol=2.070000e+07
    or (resid 38 and name HA) (resid 38 and name HD11)
    or (resid 38 and name HA) (resid 38 and name HD13)
assign (resid 38 and name HB) (resid 38 and name HD12) 2.346 0.688 0.688 weight 1.000 ! spec=HCH, no=592, id=3657, vol=7.700000e+07
    or (resid 38 and name HB) (resid 38 and name HD11)
    or (resid 38 and name HB) (resid 38 and name HD13)
assign (resid 38 and name HD12) (resid 38 and name HG12) 2.176 0.592 0.592 weight 1.000 ! spec=HCH, no=593, id=3658, vol=1.210000e+08
    or (resid 38 and name HD11) (resid 38 and name HG12)
    or (resid 38 and name HD13) (resid 38 and name HG12)
assign (resid 38 and name HD12) (resid 38 and name HG11) 2.332 0.680 0.680 weight 1.000 ! spec=HCH, no=594, id=3659, vol=7.970000e+07
    or (resid 38 and name HD11) (resid 38 and name HG11)
    or (resid 38 and name HD13) (resid 38 and name HG11)
assign (resid 38 and name HD12) (resid 38 and name HD11) 1.361 0.232 0.232 weight 1.000 ! spec=HCH, no=595, id=3660, vol=2.020000e+09
    or (resid 38 and name HD12) (resid 38 and name HD13)
    or (resid 38 and name HD12) (resid 38 and name HD11)
    or (resid 38 and name HD11) (resid 38 and name HD13)
    or (resid 38 and name HD12) (resid 38 and name HD13)
    or (resid 38 and name HD11) (resid 38 and name HD13)
assign (resid 38 and name HD12) (resid 38 and name HG22) 2.196 0.603 0.603 weight 1.000 ! spec=HCH, no=596, id=3661, vol=1.140000e+08
    or (resid 38 and name HD12) (resid 38 and name HG21)
    or (resid 38 and name HD12) (resid 38 and name HG23)
    or (resid 38 and name HD11) (resid 38 and name HG22)
    or (resid 38 and name HD11) (resid 38 and name HG21)
    or (resid 38 and name HD11) (resid 38 and name HG23)
    or (resid 38 and name HD13) (resid 38 and name HG22)
    or (resid 38 and name HD13) (resid 38 and name HG21)
    or (resid 38 and name HD13) (resid 38 and name HG23)
assign (resid 39 and name HN) (resid 38 and name HD12) 3.265 1.333 1.333 weight 1.000 ! spec=HCH, no=597, id=3662, vol=1.060000e+07
    or (resid 39 and name HN) (resid 38 and name HD11)
    or (resid 39 and name HN) (resid 38 and name HD13)
assign (resid 40 and name HN) (resid 38 and name HD12) 3.837 1.841 1.841 weight 1.000 ! spec=HCH, no=598, id=3663, vol=4.020000e+06
    or (resid 40 and name HN) (resid 38 and name HD11)
    or (resid 40 and name HN) (resid 38 and name HD13)
assign (resid 38 and name HD12) (resid 40 and name HD12) 2.213 0.612 0.612 weight 1.000 ! spec=HCH, no=599, id=3664, vol=1.090000e+08
    or (resid 38 and name HD12) (resid 40 and name HD11)
    or (resid 38 and name HD12) (resid 40 and name HD13)
    or (resid 38 and name HD11) (resid 40 and name HD12)
    or (resid 38 and name HD11) (resid 40 and name HD11)
    or (resid 38 and name HD11) (resid 40 and name HD13)
    or (resid 38 and name HD13) (resid 40 and name HD12)
    or (resid 38 and name HD13) (resid 40 and name HD11)
    or (resid 38 and name HD13) (resid 40 and name HD13)
assign (resid 38 and name HD12) (resid 59 and name HB1) 3.787 1.793 1.793 weight 1.000 ! spec=HCH, no=600, id=3665, vol=4.350000e+06
    or (resid 38 and name HD11) (resid 59 and name HB1)
    or (resid 38 and name HD13) (resid 59 and name HB1)
assign (resid 38 and name HD12) (resid 153 and name HB2) 3.480 1.514 1.514 weight 1.000 ! spec=HCH, no=603, id=3668, vol=7.220000e+06
    or (resid 38 and name HD11) (resid 153 and name HB2)
    or (resid 38 and name HD13) (resid 153 and name HB2)
assign (resid 38 and name HG11) (resid 83 and name HD1) 3.650 1.665 1.665 weight 1.000 ! spec=HCH, no=604, id=3669, vol=5.420000e+06
assign (resid 38 and name HG11) (resid 38 and name HN) 3.868 1.870 1.870 weight 1.000 ! spec=HCH, no=605, id=3670, vol=3.830000e+06
assign (resid 39 and name HN) (resid 38 and name HG11) 3.204 1.283 1.283 weight 1.000 ! spec=HCH, no=610, id=3675, vol=1.190000e+07
assign (resid 38 and name HG12) (resid 29 and name HA) 4.154 2.157 2.157 weight 1.000 ! spec=HCH, no=612, id=3676, vol=2.500000e+06
assign (resid 38 and name HG11) (resid 29 and name HA) 3.625 1.643 1.643 weight 1.000 ! spec=HCH, no=613, id=3677, vol=5.650000e+06
assign (resid 38 and name HG12) (resid 38 and name HN) 4.188 2.192 2.192 weight 1.000 ! spec=HCH, no=614, id=3678, vol=2.380000e+06
assign (resid 38 and name HG12) (resid 38 and name HB) 2.702 0.912 0.912 weight 1.000 ! spec=HCH, no=617, id=3681, vol=3.300000e+07
assign (resid 38 and name HB) (resid 38 and name HG11) 2.653 0.880 0.880 weight 1.000 ! spec=HCH, no=618, id=3682, vol=3.680000e+07
assign (resid 38 and name HG11) (resid 38 and name HG12) 2.367 0.700 0.700 weight 1.000 ! spec=HCH, no=620, id=3683, vol=7.290000e+07
assign (resid 38 and name HG12) (resid 38 and name HG22) 3.033 1.150 1.150 weight 1.000 ! spec=HCH, no=625, id=3687, vol=1.650000e+07
    or (resid 38 and name HG12) (resid 38 and name HG21)
    or (resid 38 and name HG12) (resid 38 and name HG23)
assign (resid 39 and name HN) (resid 38 and name HG12) 3.448 1.486 1.486 weight 1.000 ! spec=HCH, no=627, id=3689, vol=7.630000e+06
assign (resid 38 and name HG22) (resid 40 and name HD12) 2.487 0.773 0.773 weight 1.000 ! spec=HCH, no=631, id=3693, vol=5.420000e+07
    or (resid 38 and name HG22) (resid 40 and name HD11)
    or (resid 38 and name HG22) (resid 40 and name HD13)
    or (resid 38 and name HG21) (resid 40 and name HD12)
    or (resid 38 and name HG21) (resid 40 and name HD11)
    or (resid 38 and name HG21) (resid 40 and name HD13)
    or (resid 38 and name HG23) (resid 40 and name HD12)
    or (resid 38 and name HG23) (resid 40 and name HD11)
    or (resid 38 and name HG23) (resid 40 and name HD13)
assign (resid 38 and name HG22) (resid 29 and name HA) 3.523 1.551 1.551 weight 1.000 ! spec=HCH, no=632, id=3694, vol=6.710000e+06
    or (resid 38 and name HG21) (resid 29 and name HA)
    or (resid 38 and name HG23) (resid 29 and name HA)
assign (resid 37 and name HA) (resid 38 and name HG22) 3.389 1.436 1.436 weight 1.000 ! spec=HCH, no=635, id=3697, vol=8.460000e+06
    or (resid 37 and name HA) (resid 38 and name HG21)
    or (resid 37 and name HA) (resid 38 and name HG23)
assign (resid 38 and name HA) (resid 38 and name HG22) 3.044 1.158 1.158 weight 1.000 ! spec=HCH, no=638, id=3700, vol=1.610000e+07
    or (resid 38 and name HA) (resid 38 and name HG21)
    or (resid 38 and name HA) (resid 38 and name HG23)
assign (resid 38 and name HB) (resid 38 and name HG22) 2.437 0.742 0.742 weight 1.000 ! spec=HCH, no=639, id=3701, vol=6.130000e+07
    or (resid 38 and name HB) (resid 38 and name HG21)
    or (resid 38 and name HB) (resid 38 and name HG23)
assign (resid 38 and name HG11) (resid 38 and name HG22) 2.894 1.047 1.047 weight 1.000 ! spec=HCH, no=640, id=3702, vol=2.190000e+07
    or (resid 38 and name HG11) (resid 38 and name HG21)
    or (resid 38 and name HG11) (resid 38 and name HG23)
assign (resid 38 and name HG22) (resid 38 and name HG21) 1.527 0.291 0.291 weight 1.000 ! spec=HCH, no=642, id=3704, vol=1.010000e+09
    or (resid 38 and name HG22) (resid 38 and name HG23)
    or (resid 38 and name HG22) (resid 38 and name HG21)
    or (resid 38 and name HG21) (resid 38 and name HG23)
    or (resid 38 and name HG22) (resid 38 and name HG23)
    or (resid 38 and name HG21) (resid 38 and name HG23)
assign (resid 38 and name HG22) (resid 40 and name HA) 3.783 1.789 1.789 weight 1.000 ! spec=HCH, no=643, id=3705, vol=4.370000e+06
    or (resid 38 and name HG21) (resid 40 and name HA)
    or (resid 38 and name HG23) (resid 40 and name HA)
assign (resid 38 and name HG22) (resid 40 and name HG) 2.889 1.043 1.043 weight 1.000 ! spec=HCH, no=645, id=3707, vol=2.210000e+07
    or (resid 38 and name HG21) (resid 40 and name HG)
    or (resid 38 and name HG23) (resid 40 and name HG)
assign (resid 38 and name HG22) (resid 40 and name HD22) 2.969 1.102 1.102 weight 1.000 ! spec=HCH, no=647, id=3709, vol=1.870000e+07
    or (resid 38 and name HG22) (resid 40 and name HD21)
    or (resid 38 and name HG22) (resid 40 and name HD23)
    or (resid 38 and name HG21) (resid 40 and name HD22)
    or (resid 38 and name HG21) (resid 40 and name HD21)
    or (resid 38 and name HG21) (resid 40 and name HD23)
    or (resid 38 and name HG23) (resid 40 and name HD22)
    or (resid 38 and name HG23) (resid 40 and name HD21)
    or (resid 38 and name HG23) (resid 40 and name HD23)
assign (resid 38 and name HG22) (resid 59 and name HB1) 3.776 1.782 1.782 weight 1.000 ! spec=HCH, no=648, id=3710, vol=4.420000e+06
    or (resid 38 and name HG21) (resid 59 and name HB1)
    or (resid 38 and name HG23) (resid 59 and name HB1)
assign (resid 38 and name HG22) (resid 152 and name HA) 3.602 1.622 1.622 weight 1.000 ! spec=HCH, no=651, id=3713, vol=5.870000e+06
    or (resid 38 and name HG21) (resid 152 and name HA)
    or (resid 38 and name HG23) (resid 152 and name HA)
assign (resid 38 and name HG22) (resid 152 and name HD12) 3.416 1.458 1.458 weight 1.000 ! spec=HCH, no=652, id=3714, vol=8.070000e+06
    or (resid 38 and name HG22) (resid 152 and name HD11)
    or (resid 38 and name HG22) (resid 152 and name HD13)
    or (resid 38 and name HG21) (resid 152 and name HD12)
    or (resid 38 and name HG21) (resid 152 and name HD11)
    or (resid 38 and name HG21) (resid 152 and name HD13)
    or (resid 38 and name HG23) (resid 152 and name HD12)
    or (resid 38 and name HG23) (resid 152 and name HD11)
    or (resid 38 and name HG23) (resid 152 and name HD13)
assign (resid 38 and name HG22) (resid 153 and name HB2) 2.525 0.797 0.797 weight 1.000 ! spec=HCH, no=655, id=3717, vol=4.940000e+07
    or (resid 38 and name HG21) (resid 153 and name HB2)
    or (resid 38 and name HG23) (resid 153 and name HB2)
assign (resid 38 and name HG22) (resid 153 and name HB1) 2.766 0.956 0.956 weight 1.000 ! spec=HCH, no=656, id=3718, vol=2.860000e+07
    or (resid 38 and name HG21) (resid 153 and name HB1)
    or (resid 38 and name HG23) (resid 153 and name HB1)
assign (resid 38 and name HG22) (resid 154 and name HA) 3.983 1.983 1.983 weight 1.000 ! spec=HCH, no=658, id=3720, vol=3.210000e+06
    or (resid 38 and name HG21) (resid 154 and name HA)
    or (resid 38 and name HG23) (resid 154 and name HA)
assign (resid 38 and name HG22) (resid 155 and name HB) 4.013 2.013 2.013 weight 1.000 ! spec=HCH, no=659, id=3721, vol=3.070000e+06
    or (resid 38 and name HG21) (resid 155 and name HB)
    or (resid 38 and name HG23) (resid 155 and name HB)
assign (resid 39 and name HA) (resid 39 and name HB1) 2.863 1.024 1.024 weight 1.000 ! spec=HCH, no=665, id=3727, vol=2.330000e+07
assign (resid 39 and name HB1) (resid 39 and name HB2) 2.405 0.723 0.723 weight 1.000 ! spec=HCH, no=672, id=3733, vol=6.620000e+07
assign (resid 39 and name HB2) (resid 40 and name HA) 3.435 1.475 1.475 weight 1.000 ! spec=HCH, no=673, id=3734, vol=7.810000e+06
assign (resid 40 and name HA) (resid 38 and name HD12) 3.710 1.721 1.721 weight 1.000 ! spec=HCH, no=678, id=3739, vol=4.910000e+06
    or (resid 40 and name HA) (resid 38 and name HD11)
    or (resid 40 and name HA) (resid 38 and name HD13)
assign (resid 40 and name HA) (resid 40 and name HB2) 2.613 0.853 0.853 weight 1.000 ! spec=HCH, no=680, id=3741, vol=4.030000e+07
assign (resid 40 and name HA) (resid 40 and name HB1) 3.005 1.129 1.129 weight 1.000 ! spec=HCH, no=681, id=3742, vol=1.740000e+07
assign (resid 40 and name HA) (resid 40 and name HD12) 2.479 0.768 0.768 weight 1.000 ! spec=HCH, no=682, id=3743, vol=5.520000e+07
    or (resid 40 and name HA) (resid 40 and name HD11)
    or (resid 40 and name HA) (resid 40 and name HD13)
assign (resid 40 and name HA) (resid 42 and name HN) 3.624 1.641 1.641 weight 1.000 ! spec=HCH, no=685, id=3746, vol=5.670000e+06
assign (resid 40 and name HB2) (resid 38 and name HD12) 3.646 1.662 1.662 weight 1.000 ! spec=HCH, no=690, id=3751, vol=5.460000e+06
    or (resid 40 and name HB2) (resid 38 and name HD11)
    or (resid 40 and name HB2) (resid 38 and name HD13)
assign (resid 38 and name HG22) (resid 40 and name HB2) 3.762 1.769 1.769 weight 1.000 ! spec=HCH, no=691, id=3752, vol=4.520000e+06
    or (resid 38 and name HG21) (resid 40 and name HB2)
    or (resid 38 and name HG23) (resid 40 and name HB2)
assign (resid 40 and name HN) (resid 40 and name HB2) 3.155 1.244 1.244 weight 1.000 ! spec=HCH, no=692, id=3753, vol=1.300000e+07
assign (resid 40 and name HB1) (resid 40 and name HN) 3.070 1.178 1.178 weight 1.000 ! spec=HCH, no=693, id=3754, vol=1.530000e+07
assign (resid 40 and name HB1) (resid 40 and name HB2) 2.323 0.674 0.674 weight 1.000 ! spec=HCH, no=696, id=3756, vol=8.170000e+07
assign (resid 40 and name HB2) (resid 40 and name HD12) 2.651 0.879 0.879 weight 1.000 ! spec=HCH, no=698, id=3758, vol=3.690000e+07
    or (resid 40 and name HB2) (resid 40 and name HD11)
    or (resid 40 and name HB2) (resid 40 and name HD13)
assign (resid 40 and name HB2) (resid 40 and name HD22) 2.670 0.891 0.891 weight 1.000 ! spec=HCH, no=700, id=3760, vol=3.540000e+07
    or (resid 40 and name HB2) (resid 40 and name HD21)
    or (resid 40 and name HB2) (resid 40 and name HD23)
assign (resid 41 and name HN) (resid 40 and name HB2) 3.717 1.727 1.727 weight 1.000 ! spec=HCH, no=702, id=3762, vol=4.860000e+06
assign (resid 40 and name HD12) (resid 64 and name HN) 4.339 2.353 2.353 weight 1.000 ! spec=HCH, no=709, id=3769, vol=1.920000e+06
    or (resid 40 and name HD11) (resid 64 and name HN)
    or (resid 40 and name HD13) (resid 64 and name HN)
assign (resid 40 and name HD12) (resid 39 and name HB1) 4.127 2.129 2.129 weight 1.000 ! spec=HCH, no=717, id=3777, vol=2.600000e+06
    or (resid 40 and name HD11) (resid 39 and name HB1)
    or (resid 40 and name HD13) (resid 39 and name HB1)
assign (resid 151 and name HN) (resid 40 and name HD12) 3.924 1.925 1.925 weight 1.000 ! spec=HCH, no=719, id=3779, vol=3.510000e+06
    or (resid 151 and name HN) (resid 40 and name HD11)
    or (resid 151 and name HN) (resid 40 and name HD13)
assign (resid 40 and name HD12) (resid 38 and name HA) 3.509 1.539 1.539 weight 1.000 ! spec=HCH, no=721, id=3781, vol=6.870000e+06
    or (resid 40 and name HD11) (resid 38 and name HA)
    or (resid 40 and name HD13) (resid 38 and name HA)
assign (resid 42 and name HN) (resid 40 and name HD12) 3.745 1.753 1.753 weight 1.000 ! spec=HCH, no=723, id=3783, vol=4.650000e+06
    or (resid 42 and name HN) (resid 40 and name HD11)
    or (resid 42 and name HN) (resid 40 and name HD13)
assign (resid 40 and name HD12) (resid 39 and name HN) 3.718 1.728 1.728 weight 1.000 ! spec=HCH, no=725, id=3785, vol=4.850000e+06
    or (resid 40 and name HD11) (resid 39 and name HN)
    or (resid 40 and name HD13) (resid 39 and name HN)
assign (resid 40 and name HD12) (resid 38 and name HG11) 2.893 1.046 1.046 weight 1.000 ! spec=HCH, no=728, id=3788, vol=2.190000e+07
    or (resid 40 and name HD11) (resid 38 and name HG11)
    or (resid 40 and name HD13) (resid 38 and name HG11)
assign (resid 40 and name HD12) (resid 39 and name HD1) 3.891 1.893 1.893 weight 1.000 ! spec=HCH, no=731, id=3791, vol=3.690000e+06
    or (resid 40 and name HD11) (resid 39 and name HD1)
    or (resid 40 and name HD13) (resid 39 and name HD1)
assign (resid 40 and name HN) (resid 40 and name HD12) 2.920 1.066 1.066 weight 1.000 ! spec=HCH, no=732, id=3792, vol=2.070000e+07
    or (resid 40 and name HN) (resid 40 and name HD11)
    or (resid 40 and name HN) (resid 40 and name HD13)
assign (resid 40 and name HB1) (resid 40 and name HD12) 2.584 0.835 0.835 weight 1.000 ! spec=HCH, no=734, id=3794, vol=4.300000e+07
    or (resid 40 and name HB1) (resid 40 and name HD11)
    or (resid 40 and name HB1) (resid 40 and name HD13)
assign (resid 40 and name HD12) (resid 40 and name HG) 2.057 0.529 0.529 weight 1.000 ! spec=HCH, no=735, id=3795, vol=1.690000e+08
    or (resid 40 and name HD11) (resid 40 and name HG)
    or (resid 40 and name HD13) (resid 40 and name HG)
assign (resid 40 and name HD12) (resid 40 and name HD11) 1.291 0.208 0.208 weight 1.000 ! spec=HCH, no=736, id=3796, vol=2.770000e+09
    or (resid 40 and name HD12) (resid 40 and name HD13)
    or (resid 40 and name HD12) (resid 40 and name HD11)
    or (resid 40 and name HD11) (resid 40 and name HD13)
    or (resid 40 and name HD12) (resid 40 and name HD13)
    or (resid 40 and name HD11) (resid 40 and name HD13)
assign (resid 40 and name HD12) (resid 40 and name HD22) 2.007 0.504 0.504 weight 1.000 ! spec=HCH, no=737, id=3797, vol=1.960000e+08
    or (resid 40 and name HD12) (resid 40 and name HD21)
    or (resid 40 and name HD12) (resid 40 and name HD23)
    or (resid 40 and name HD11) (resid 40 and name HD22)
    or (resid 40 and name HD11) (resid 40 and name HD21)
    or (resid 40 and name HD11) (resid 40 and name HD23)
    or (resid 40 and name HD13) (resid 40 and name HD22)
    or (resid 40 and name HD13) (resid 40 and name HD21)
    or (resid 40 and name HD13) (resid 40 and name HD23)
assign (resid 40 and name HD12) (resid 56 and name HA) 3.474 1.509 1.509 weight 1.000 ! spec=HCH, no=738, id=3798, vol=7.300000e+06
    or (resid 40 and name HD11) (resid 56 and name HA)
    or (resid 40 and name HD13) (resid 56 and name HA)
assign (resid 40 and name HD12) (resid 152 and name HD12) 3.151 1.241 1.241 weight 1.000 ! spec=HCH, no=742, id=3802, vol=1.310000e+07
    or (resid 40 and name HD12) (resid 152 and name HD11)
    or (resid 40 and name HD12) (resid 152 and name HD13)
    or (resid 40 and name HD11) (resid 152 and name HD12)
    or (resid 40 and name HD11) (resid 152 and name HD11)
    or (resid 40 and name HD11) (resid 152 and name HD13)
    or (resid 40 and name HD13) (resid 152 and name HD12)
    or (resid 40 and name HD13) (resid 152 and name HD11)
    or (resid 40 and name HD13) (resid 152 and name HD13)
assign (resid 40 and name HD22) (resid 150 and name HA2) 3.513 1.542 1.542 weight 1.000 ! spec=HCH, no=744, id=3804, vol=6.820000e+06
    or (resid 40 and name HD21) (resid 150 and name HA2)
    or (resid 40 and name HD23) (resid 150 and name HA2)
assign (resid 40 and name HD22) (resid 56 and name HB1) 3.509 1.539 1.539 weight 1.000 ! spec=HCH, no=747, id=3807, vol=6.870000e+06
    or (resid 40 and name HD21) (resid 56 and name HB1)
    or (resid 40 and name HD23) (resid 56 and name HB1)
assign (resid 38 and name HD12) (resid 40 and name HD22) 3.329 1.386 1.386 weight 1.000 ! spec=HCH, no=753, id=3813, vol=9.420000e+06
    or (resid 38 and name HD12) (resid 40 and name HD21)
    or (resid 38 and name HD12) (resid 40 and name HD23)
    or (resid 38 and name HD11) (resid 40 and name HD22)
    or (resid 38 and name HD11) (resid 40 and name HD21)
    or (resid 38 and name HD11) (resid 40 and name HD23)
    or (resid 38 and name HD13) (resid 40 and name HD22)
    or (resid 38 and name HD13) (resid 40 and name HD21)
    or (resid 38 and name HD13) (resid 40 and name HD23)
assign (resid 40 and name HD22) (resid 39 and name HD1) 4.016 2.016 2.016 weight 1.000 ! spec=HCH, no=755, id=3815, vol=3.050000e+06
    or (resid 40 and name HD21) (resid 39 and name HD1)
    or (resid 40 and name HD23) (resid 39 and name HD1)
assign (resid 40 and name HA) (resid 40 and name HD22) 2.994 1.120 1.120 weight 1.000 ! spec=HCH, no=757, id=3817, vol=1.780000e+07
    or (resid 40 and name HA) (resid 40 and name HD21)
    or (resid 40 and name HA) (resid 40 and name HD23)
assign (resid 40 and name HB1) (resid 40 and name HD22) 2.550 0.813 0.813 weight 1.000 ! spec=HCH, no=759, id=3819, vol=4.660000e+07
    or (resid 40 and name HB1) (resid 40 and name HD21)
    or (resid 40 and name HB1) (resid 40 and name HD23)
assign (resid 40 and name HD22) (resid 40 and name HD21) 1.422 0.253 0.253 weight 1.000 ! spec=HCH, no=761, id=3821, vol=1.550000e+09
    or (resid 40 and name HD22) (resid 40 and name HD23)
    or (resid 40 and name HD22) (resid 40 and name HD21)
    or (resid 40 and name HD21) (resid 40 and name HD23)
    or (resid 40 and name HD22) (resid 40 and name HD23)
    or (resid 40 and name HD21) (resid 40 and name HD23)
assign (resid 40 and name HD22) (resid 55 and name HB2) 2.615 0.855 0.855 weight 1.000 ! spec=HCH, no=762, id=3822, vol=4.010000e+07
    or (resid 40 and name HD21) (resid 55 and name HB2)
    or (resid 40 and name HD23) (resid 55 and name HB2)
assign (resid 40 and name HD22) (resid 55 and name HG1) 3.115 1.213 1.213 weight 1.000 ! spec=HCH, no=763, id=3823, vol=1.400000e+07
    or (resid 40 and name HD21) (resid 55 and name HG1)
    or (resid 40 and name HD23) (resid 55 and name HG1)
assign (resid 40 and name HD22) (resid 56 and name HA) 3.198 1.278 1.278 weight 1.000 ! spec=HCH, no=764, id=3824, vol=1.200000e+07
    or (resid 40 and name HD21) (resid 56 and name HA)
    or (resid 40 and name HD23) (resid 56 and name HA)
assign (resid 40 and name HD22) (resid 151 and name HA) 3.762 1.769 1.769 weight 1.000 ! spec=HCH, no=766, id=3826, vol=4.530000e+06
    or (resid 40 and name HD21) (resid 151 and name HA)
    or (resid 40 and name HD23) (resid 151 and name HA)
assign (resid 40 and name HN) (resid 40 and name HG) 3.200 1.280 1.280 weight 1.000 ! spec=HCH, no=769, id=3829, vol=1.200000e+07
assign (resid 40 and name HG) (resid 40 and name HA) 3.325 1.382 1.382 weight 1.000 ! spec=HCH, no=770, id=3830, vol=9.490000e+06
assign (resid 40 and name HG) (resid 40 and name HB1) 2.764 0.955 0.955 weight 1.000 ! spec=HCH, no=771, id=3831, vol=2.880000e+07
assign (resid 40 and name HG) (resid 40 and name HD22) 2.674 0.894 0.894 weight 1.000 ! spec=HCH, no=774, id=3833, vol=3.510000e+07
    or (resid 40 and name HG) (resid 40 and name HD21)
    or (resid 40 and name HG) (resid 40 and name HD23)
assign (resid 41 and name HA) (resid 39 and name HZ) 3.592 1.613 1.613 weight 1.000 ! spec=HCH, no=775, id=3834, vol=5.970000e+06
assign (resid 41 and name HA) (resid 41 and name HN) 2.955 1.092 1.092 weight 1.000 ! spec=HCH, no=776, id=3835, vol=1.930000e+07
assign (resid 41 and name HA) (resid 41 and name HB1) 2.350 0.691 0.691 weight 1.000 ! spec=HCH, no=777, id=3836, vol=7.600000e+07
assign (resid 41 and name HA) (resid 150 and name HA2) 2.949 1.087 1.087 weight 1.000 ! spec=HCH, no=780, id=3839, vol=1.950000e+07
assign (resid 41 and name HB1) (resid 41 and name HB2) 1.939 0.470 0.470 weight 1.000 ! spec=HCH, no=785, id=3844, vol=2.410000e+08
assign (resid 41 and name HB2) (resid 41 and name HG1) 1.939 0.470 0.470 weight 1.000 ! spec=HCH, no=787, id=3845, vol=2.410000e+08
assign (resid 41 and name HB2) (resid 42 and name HN) 3.587 1.609 1.609 weight 1.000 ! spec=HCH, no=788, id=3846, vol=6.020000e+06
assign (resid 41 and name HB1) (resid 42 and name HN) 3.511 1.541 1.541 weight 1.000 ! spec=HCH, no=789, id=3847, vol=6.840000e+06
assign (resid 41 and name HA) (resid 150 and name HA1) 2.886 1.041 1.041 weight 1.000 ! spec=HCH, no=791, id=3849, vol=2.220000e+07
assign (resid 41 and name HG2) (resid 39 and name HD1) 3.657 1.672 1.672 weight 1.000 ! spec=HCH, no=794, id=3852, vol=5.360000e+06
    or (resid 41 and name HG2) (resid 39 and name HD2)
assign (resid 41 and name HG1) (resid 39 and name HD1) 3.437 1.477 1.477 weight 1.000 ! spec=HCH, no=797, id=3855, vol=7.770000e+06
    or (resid 41 and name HG1) (resid 39 and name HD2)
assign (resid 41 and name HG1) (resid 40 and name HN) 3.992 1.992 1.992 weight 1.000 ! spec=HCH, no=798, id=3856, vol=3.170000e+06
assign (resid 41 and name HG2) (resid 41 and name HA) 2.843 1.010 1.010 weight 1.000 ! spec=HCH, no=801, id=3859, vol=2.430000e+07
assign (resid 41 and name HG1) (resid 41 and name HA) 2.787 0.971 0.971 weight 1.000 ! spec=HCH, no=802, id=3860, vol=2.740000e+07
assign (resid 41 and name HG2) (resid 41 and name HB2) 2.332 0.680 0.680 weight 1.000 ! spec=HCH, no=803, id=3861, vol=7.970000e+07
assign (resid 41 and name HG1) (resid 41 and name HE21) 3.171 1.257 1.257 weight 1.000 ! spec=HCH, no=806, id=3864, vol=1.260000e+07
assign (resid 41 and name HG1) (resid 41 and name HE22) 3.284 1.348 1.348 weight 1.000 ! spec=HCH, no=808, id=3866, vol=1.020000e+07
assign (resid 41 and name HG1) (resid 42 and name HN) 3.668 1.682 1.682 weight 1.000 ! spec=HCH, no=810, id=3867, vol=5.260000e+06
assign (resid 41 and name HG2) (resid 150 and name HA2) 3.517 1.546 1.546 weight 1.000 ! spec=HCH, no=813, id=3870, vol=6.780000e+06
assign (resid 41 and name HG1) (resid 150 and name HA2) 3.342 1.396 1.396 weight 1.000 ! spec=HCH, no=814, id=3871, vol=9.200000e+06
assign (resid 41 and name HG2) (resid 150 and name HA1) 3.520 1.549 1.549 weight 1.000 ! spec=HCH, no=815, id=3872, vol=6.740000e+06
assign (resid 41 and name HG1) (resid 150 and name HA1) 3.340 1.394 1.394 weight 1.000 ! spec=HCH, no=816, id=3873, vol=9.240000e+06
assign (resid 41 and name HG2) (resid 151 and name HN) 3.873 1.875 1.875 weight 1.000 ! spec=HCH, no=817, id=3874, vol=3.800000e+06
assign (resid 42 and name HA) (resid 42 and name HB2) 2.390 0.714 0.714 weight 1.000 ! spec=HCH, no=820, id=3877, vol=6.890000e+07
assign (resid 42 and name HA) (resid 42 and name HN) 2.617 0.856 0.856 weight 1.000 ! spec=HCH, no=821, id=3878, vol=3.990000e+07
assign (resid 42 and name HA) (resid 42 and name HB1) 2.539 0.806 0.806 weight 1.000 ! spec=HCH, no=822, id=3879, vol=4.790000e+07
assign (resid 42 and name HB2) (resid 42 and name HG2) 2.133 0.569 0.569 weight 1.000 ! spec=HCH, no=837, id=3893, vol=1.360000e+08
assign (resid 42 and name HB1) (resid 44 and name HN) 3.940 1.941 1.941 weight 1.000 ! spec=HCH, no=841, id=3897, vol=3.430000e+06
assign (resid 42 and name HB1) (resid 44 and name HG12) 3.614 1.633 1.633 weight 1.000 ! spec=HCH, no=842, id=3898, vol=5.750000e+06
assign (resid 42 and name HG2) (resid 42 and name HA) 2.480 0.769 0.769 weight 1.000 ! spec=HCH, no=848, id=3904, vol=5.520000e+07
assign (resid 42 and name HG2) (resid 40 and name HN) 4.141 2.144 2.144 weight 1.000 ! spec=HCH, no=858, id=3914, vol=2.540000e+06
assign (resid 42 and name HG2) (resid 40 and name HA) 3.054 1.166 1.166 weight 1.000 ! spec=HCH, no=859, id=3915, vol=1.580000e+07
assign (resid 42 and name HG2) (resid 40 and name HB2) 3.121 1.218 1.218 weight 1.000 ! spec=HCH, no=860, id=3916, vol=1.390000e+07
assign (resid 42 and name HG2) (resid 40 and name HB1) 3.755 1.762 1.762 weight 1.000 ! spec=HCH, no=861, id=3917, vol=4.580000e+06
assign (resid 42 and name HG2) (resid 40 and name HG) 3.121 1.218 1.218 weight 1.000 ! spec=HCH, no=862, id=3918, vol=1.390000e+07
assign (resid 40 and name HD12) (resid 42 and name HG2) 3.392 1.438 1.438 weight 1.000 ! spec=HCH, no=863, id=3919, vol=8.420000e+06
    or (resid 40 and name HD11) (resid 42 and name HG2)
    or (resid 40 and name HD13) (resid 42 and name HG2)
assign (resid 42 and name HG2) (resid 40 and name HD22) 3.430 1.470 1.470 weight 1.000 ! spec=HCH, no=864, id=3920, vol=7.880000e+06
    or (resid 42 and name HG2) (resid 40 and name HD21)
    or (resid 42 and name HG2) (resid 40 and name HD23)
assign (resid 42 and name HG2) (resid 42 and name HN) 2.791 0.973 0.973 weight 1.000 ! spec=HCH, no=865, id=3921, vol=2.720000e+07
assign (resid 44 and name HN) (resid 43 and name HA) 2.251 0.634 0.634 weight 1.000 ! spec=HCH, no=876, id=3930, vol=9.850000e+07
assign (resid 43 and name HA) (resid 44 and name HG22) 3.141 1.233 1.233 weight 1.000 ! spec=HCH, no=877, id=3931, vol=1.340000e+07
    or (resid 43 and name HA) (resid 44 and name HG21)
    or (resid 43 and name HA) (resid 44 and name HG23)
assign (resid 43 and name HN) (resid 43 and name HB2) 2.209 0.610 0.610 weight 1.000 ! spec=HCH, no=885, id=3939, vol=1.100000e+08
    or (resid 43 and name HN) (resid 43 and name HB1)
    or (resid 43 and name HN) (resid 43 and name HB3)
assign (resid 43 and name HB2) (resid 43 and name HA) 2.125 0.564 0.564 weight 1.000 ! spec=HCH, no=886, id=3940, vol=1.390000e+08
    or (resid 43 and name HB1) (resid 43 and name HA)
    or (resid 43 and name HB3) (resid 43 and name HA)
assign (resid 43 and name HB2) (resid 43 and name HB1) 1.126 0.158 0.158 weight 1.000 ! spec=HCH, no=887, id=3941, vol=6.310000e+09
    or (resid 43 and name HB2) (resid 43 and name HB3)
    or (resid 43 and name HB2) (resid 43 and name HB1)
    or (resid 43 and name HB1) (resid 43 and name HB3)
    or (resid 43 and name HB2) (resid 43 and name HB3)
    or (resid 43 and name HB1) (resid 43 and name HB3)
assign (resid 44 and name HA) (resid 44 and name HB) 2.342 0.685 0.685 weight 1.000 ! spec=HCH, no=893, id=3946, vol=7.780000e+07
assign (resid 44 and name HA) (resid 44 and name HG12) 2.845 1.012 1.012 weight 1.000 ! spec=HCH, no=894, id=3947, vol=2.420000e+07
assign (resid 44 and name HA) (resid 44 and name HG11) 2.861 1.023 1.023 weight 1.000 ! spec=HCH, no=895, id=3948, vol=2.340000e+07
assign (resid 44 and name HN) (resid 44 and name HB) 2.975 1.106 1.106 weight 1.000 ! spec=HCH, no=900, id=3953, vol=1.850000e+07
assign (resid 44 and name HB) (resid 44 and name HG11) 2.669 0.890 0.890 weight 1.000 ! spec=HCH, no=903, id=3955, vol=3.550000e+07
assign (resid 44 and name HD12) (resid 52 and name HA) 2.757 0.950 0.950 weight 1.000 ! spec=HCH, no=909, id=3961, vol=2.920000e+07
    or (resid 44 and name HD11) (resid 52 and name HA)
    or (resid 44 and name HD13) (resid 52 and name HA)
assign (resid 44 and name HD12) (resid 55 and name HG2) 2.562 0.820 0.820 weight 1.000 ! spec=HCH, no=912, id=3964, vol=4.540000e+07
    or (resid 44 and name HD11) (resid 55 and name HG2)
    or (resid 44 and name HD13) (resid 55 and name HG2)
assign (resid 45 and name HN) (resid 44 and name HD12) 2.926 1.070 1.070 weight 1.000 ! spec=HCH, no=913, id=3965, vol=2.040000e+07
    or (resid 45 and name HN) (resid 44 and name HD11)
    or (resid 45 and name HN) (resid 44 and name HD13)
assign (resid 44 and name HD12) (resid 55 and name HG1) 2.660 0.884 0.884 weight 1.000 ! spec=HCH, no=914, id=3966, vol=3.620000e+07
    or (resid 44 and name HD11) (resid 55 and name HG1)
    or (resid 44 and name HD13) (resid 55 and name HG1)
assign (resid 44 and name HD12) (resid 44 and name HB) 2.211 0.611 0.611 weight 1.000 ! spec=HCH, no=918, id=3969, vol=1.100000e+08
    or (resid 44 and name HD11) (resid 44 and name HB)
    or (resid 44 and name HD13) (resid 44 and name HB)
assign (resid 44 and name HD12) (resid 44 and name HG12) 1.789 0.400 0.400 weight 1.000 ! spec=HCH, no=919, id=3970, vol=3.910000e+08
    or (resid 44 and name HD11) (resid 44 and name HG12)
    or (resid 44 and name HD13) (resid 44 and name HG12)
assign (resid 44 and name HD12) (resid 44 and name HG11) 1.939 0.470 0.470 weight 1.000 ! spec=HCH, no=920, id=3971, vol=2.410000e+08
    or (resid 44 and name HD11) (resid 44 and name HG11)
    or (resid 44 and name HD13) (resid 44 and name HG11)
assign (resid 44 and name HG11) (resid 46 and name HB) 3.537 1.563 1.563 weight 1.000 ! spec=HCH, no=923, id=3974, vol=6.550000e+06
assign (resid 44 and name HG11) (resid 44 and name HG12) 2.078 0.540 0.540 weight 1.000 ! spec=HCH, no=925, id=3976, vol=1.590000e+08
assign (resid 44 and name HG11) (resid 46 and name HG22) 2.197 0.603 0.603 weight 1.000 ! spec=HCH, no=928, id=3979, vol=1.140000e+08
    or (resid 44 and name HG11) (resid 46 and name HG21)
    or (resid 44 and name HG11) (resid 46 and name HG23)
assign (resid 44 and name HG11) (resid 148 and name HB) 3.510 1.540 1.540 weight 1.000 ! spec=HCH, no=929, id=3980, vol=6.850000e+06
assign (resid 44 and name HG22) (resid 55 and name HG1) 2.963 1.097 1.097 weight 1.000 ! spec=HCH, no=933, id=3984, vol=1.900000e+07
    or (resid 44 and name HG21) (resid 55 and name HG1)
    or (resid 44 and name HG23) (resid 55 and name HG1)
assign (resid 44 and name HG22) (resid 42 and name HB1) 2.599 0.844 0.844 weight 1.000 ! spec=HCH, no=939, id=3989, vol=4.170000e+07
    or (resid 44 and name HG21) (resid 42 and name HB1)
    or (resid 44 and name HG23) (resid 42 and name HB1)
assign (resid 44 and name HN) (resid 44 and name HG22) 2.565 0.823 0.823 weight 1.000 ! spec=HCH, no=941, id=3991, vol=4.500000e+07
    or (resid 44 and name HN) (resid 44 and name HG21)
    or (resid 44 and name HN) (resid 44 and name HG23)
assign (resid 44 and name HA) (resid 44 and name HG22) 2.141 0.573 0.573 weight 1.000 ! spec=HCH, no=942, id=3992, vol=1.330000e+08
    or (resid 44 and name HA) (resid 44 and name HG21)
    or (resid 44 and name HA) (resid 44 and name HG23)
assign (resid 44 and name HB) (resid 44 and name HG22) 1.943 0.472 0.472 weight 1.000 ! spec=HCH, no=943, id=3993, vol=2.390000e+08
    or (resid 44 and name HB) (resid 44 and name HG21)
    or (resid 44 and name HB) (resid 44 and name HG23)
assign (resid 44 and name HG22) (resid 44 and name HG21) 1.065 0.142 0.142 weight 1.000 ! spec=HCH, no=945, id=3995, vol=8.800000e+09
    or (resid 44 and name HG22) (resid 44 and name HG23)
    or (resid 44 and name HG22) (resid 44 and name HG21)
    or (resid 44 and name HG21) (resid 44 and name HG23)
    or (resid 44 and name HG22) (resid 44 and name HG23)
    or (resid 44 and name HG21) (resid 44 and name HG23)
assign (resid 55 and name HE22) (resid 44 and name HG22) 3.002 1.127 1.127 weight 1.000 ! spec=HCH, no=949, id=3999, vol=1.750000e+07
    or (resid 55 and name HE22) (resid 44 and name HG21)
    or (resid 55 and name HE22) (resid 44 and name HG23)
assign (resid 45 and name HA) (resid 45 and name HB2) 2.455 0.753 0.753 weight 1.000 ! spec=HCH, no=953, id=4003, vol=5.860000e+07
assign (resid 45 and name HA) (resid 45 and name HB1) 2.368 0.701 0.701 weight 1.000 ! spec=HCH, no=954, id=4004, vol=7.270000e+07
assign (resid 45 and name HA) (resid 46 and name HN) 2.102 0.552 0.552 weight 1.000 ! spec=HCH, no=955, id=4005, vol=1.490000e+08
assign (resid 45 and name HB1) (resid 45 and name HG2) 2.557 0.817 0.817 weight 1.000 ! spec=HCH, no=959, id=4009, vol=4.590000e+07
assign (resid 45 and name HB1) (resid 45 and name HG1) 2.452 0.751 0.751 weight 1.000 ! spec=HCH, no=960, id=4010, vol=5.910000e+07
assign (resid 45 and name HB2) (resid 46 and name HN) 3.139 1.232 1.232 weight 1.000 ! spec=HCH, no=961, id=4011, vol=1.340000e+07
assign (resid 46 and name HN) (resid 45 and name HB1) 3.147 1.238 1.238 weight 1.000 ! spec=HCH, no=962, id=4012, vol=1.320000e+07
assign (resid 45 and name HD2) (resid 45 and name HN) 3.167 1.254 1.254 weight 1.000 ! spec=HCH, no=969, id=4019, vol=1.270000e+07
assign (resid 45 and name HD2) (resid 45 and name HE2) 2.232 0.623 0.623 weight 1.000 ! spec=HCH, no=972, id=4021, vol=1.040000e+08
assign (resid 45 and name HN) (resid 45 and name HG2) 3.385 1.432 1.432 weight 1.000 ! spec=HCH, no=982, id=4030, vol=8.520000e+06
assign (resid 45 and name HN) (resid 45 and name HG1) 3.338 1.393 1.393 weight 1.000 ! spec=HCH, no=983, id=4031, vol=9.270000e+06
assign (resid 45 and name HD2) (resid 45 and name HG1) 2.023 0.511 0.511 weight 1.000 ! spec=HCH, no=984, id=4032, vol=1.870000e+08
assign (resid 45 and name HG2) (resid 45 and name HE2) 3.178 1.262 1.262 weight 1.000 ! spec=HCH, no=985, id=4033, vol=1.250000e+07
assign (resid 45 and name HG1) (resid 45 and name HE2) 3.420 1.462 1.462 weight 1.000 ! spec=HCH, no=986, id=4034, vol=8.020000e+06
assign (resid 45 and name HG1) (resid 46 and name HA) 3.011 1.133 1.133 weight 1.000 ! spec=HCH, no=990, id=4038, vol=1.720000e+07
assign (resid 45 and name HG1) (resid 46 and name HG22) 3.627 1.644 1.644 weight 1.000 ! spec=HCH, no=992, id=4040, vol=5.630000e+06
    or (resid 45 and name HG1) (resid 46 and name HG21)
    or (resid 45 and name HG1) (resid 46 and name HG23)
assign (resid 46 and name HA) (resid 46 and name HB) 2.526 0.798 0.798 weight 1.000 ! spec=HCH, no=993, id=4041, vol=4.940000e+07
assign (resid 47 and name HN) (resid 46 and name HA) 2.202 0.606 0.606 weight 1.000 ! spec=HCH, no=995, id=4043, vol=1.120000e+08
assign (resid 46 and name HA) (resid 47 and name HG2) 2.916 1.063 1.063 weight 1.000 ! spec=HCH, no=996, id=4044, vol=2.090000e+07
assign (resid 46 and name HB) (resid 148 and name HB) 2.859 1.022 1.022 weight 1.000 ! spec=HCH, no=1000, id=4048, vol=2.350000e+07
assign (resid 46 and name HB) (resid 47 and name HN) 3.011 1.134 1.134 weight 1.000 ! spec=HCH, no=1006, id=4054, vol=1.720000e+07
assign (resid 46 and name HB) (resid 47 and name HA) 3.591 1.612 1.612 weight 1.000 ! spec=HCH, no=1007, id=4055, vol=5.980000e+06
assign (resid 46 and name HG12) (resid 48 and name HB1) 3.324 1.381 1.381 weight 1.000 ! spec=HCH, no=1013, id=4061, vol=9.510000e+06
    or (resid 46 and name HG11) (resid 48 and name HB1)
    or (resid 46 and name HG13) (resid 48 and name HB1)
assign (resid 46 and name HG12) (resid 52 and name HA) 2.816 0.991 0.991 weight 1.000 ! spec=HCH, no=1016, id=4064, vol=2.570000e+07
    or (resid 46 and name HG11) (resid 52 and name HA)
    or (resid 46 and name HG13) (resid 52 and name HA)
assign (resid 48 and name HN) (resid 46 and name HG12) 2.420 0.732 0.732 weight 1.000 ! spec=HCH, no=1018, id=4066, vol=6.380000e+07
    or (resid 48 and name HN) (resid 46 and name HG11)
    or (resid 48 and name HN) (resid 46 and name HG13)
assign (resid 46 and name HG12) (resid 146 and name HN) 3.771 1.778 1.778 weight 1.000 ! spec=HCH, no=1020, id=4068, vol=4.460000e+06
    or (resid 46 and name HG11) (resid 146 and name HN)
    or (resid 46 and name HG13) (resid 146 and name HN)
assign (resid 46 and name HG12) (resid 47 and name HA) 3.058 1.169 1.169 weight 1.000 ! spec=HCH, no=1021, id=4069, vol=1.570000e+07
    or (resid 46 and name HG11) (resid 47 and name HA)
    or (resid 46 and name HG13) (resid 47 and name HA)
assign (resid 46 and name HA) (resid 46 and name HG12) 2.140 0.572 0.572 weight 1.000 ! spec=HCH, no=1027, id=4075, vol=1.340000e+08
    or (resid 46 and name HA) (resid 46 and name HG11)
    or (resid 46 and name HA) (resid 46 and name HG13)
assign (resid 46 and name HB) (resid 46 and name HG12) 2.049 0.525 0.525 weight 1.000 ! spec=HCH, no=1028, id=4076, vol=1.730000e+08
    or (resid 46 and name HB) (resid 46 and name HG11)
    or (resid 46 and name HB) (resid 46 and name HG13)
assign (resid 46 and name HG12) (resid 46 and name HG11) 1.219 0.186 0.186 weight 1.000 ! spec=HCH, no=1029, id=4077, vol=3.910000e+09
    or (resid 46 and name HG12) (resid 46 and name HG13)
    or (resid 46 and name HG12) (resid 46 and name HG11)
    or (resid 46 and name HG11) (resid 46 and name HG13)
    or (resid 46 and name HG12) (resid 46 and name HG13)
    or (resid 46 and name HG11) (resid 46 and name HG13)
assign (resid 47 and name HN) (resid 46 and name HG12) 2.622 0.860 0.860 weight 1.000 ! spec=HCH, no=1030, id=4078, vol=3.940000e+07
    or (resid 47 and name HN) (resid 46 and name HG11)
    or (resid 47 and name HN) (resid 46 and name HG13)
assign (resid 46 and name HG12) (resid 51 and name HN) 3.196 1.277 1.277 weight 1.000 ! spec=HCH, no=1033, id=4081, vol=1.200000e+07
    or (resid 46 and name HG11) (resid 51 and name HN)
    or (resid 46 and name HG13) (resid 51 and name HN)
assign (resid 46 and name HG12) (resid 51 and name HB2) 2.473 0.765 0.765 weight 1.000 ! spec=HCH, no=1034, id=4082, vol=5.600000e+07
    or (resid 46 and name HG11) (resid 51 and name HB2)
    or (resid 46 and name HG13) (resid 51 and name HB2)
assign (resid 46 and name HG12) (resid 51 and name HB1) 2.508 0.786 0.786 weight 1.000 ! spec=HCH, no=1035, id=4083, vol=5.160000e+07
    or (resid 46 and name HG11) (resid 51 and name HB1)
    or (resid 46 and name HG13) (resid 51 and name HB1)
assign (resid 46 and name HG12) (resid 148 and name HG22) 2.148 0.577 0.577 weight 1.000 ! spec=HCH, no=1039, id=4087, vol=1.310000e+08
    or (resid 46 and name HG12) (resid 148 and name HG21)
    or (resid 46 and name HG12) (resid 148 and name HG23)
    or (resid 46 and name HG11) (resid 148 and name HG22)
    or (resid 46 and name HG11) (resid 148 and name HG21)
    or (resid 46 and name HG11) (resid 148 and name HG23)
    or (resid 46 and name HG13) (resid 148 and name HG22)
    or (resid 46 and name HG13) (resid 148 and name HG21)
    or (resid 46 and name HG13) (resid 148 and name HG23)
assign (resid 51 and name HN) (resid 46 and name HG22) 3.539 1.566 1.566 weight 1.000 ! spec=HCH, no=1051, id=4099, vol=6.530000e+06
    or (resid 51 and name HN) (resid 46 and name HG21)
    or (resid 51 and name HN) (resid 46 and name HG23)
assign (resid 46 and name HG22) (resid 44 and name HN) 3.565 1.588 1.588 weight 1.000 ! spec=HCH, no=1052, id=4100, vol=6.250000e+06
    or (resid 46 and name HG21) (resid 44 and name HN)
    or (resid 46 and name HG23) (resid 44 and name HN)
assign (resid 46 and name HG22) (resid 46 and name HN) 2.229 0.621 0.621 weight 1.000 ! spec=HCH, no=1053, id=4101, vol=1.050000e+08
    or (resid 46 and name HG21) (resid 46 and name HN)
    or (resid 46 and name HG23) (resid 46 and name HN)
assign (resid 46 and name HG22) (resid 46 and name HA) 2.245 0.630 0.630 weight 1.000 ! spec=HCH, no=1054, id=4102, vol=1.000000e+08
    or (resid 46 and name HG21) (resid 46 and name HA)
    or (resid 46 and name HG23) (resid 46 and name HA)
assign (resid 46 and name HG22) (resid 46 and name HB) 2.113 0.558 0.558 weight 1.000 ! spec=HCH, no=1055, id=4103, vol=1.440000e+08
    or (resid 46 and name HG21) (resid 46 and name HB)
    or (resid 46 and name HG23) (resid 46 and name HB)
assign (resid 46 and name HG22) (resid 46 and name HG21) 1.220 0.186 0.186 weight 1.000 ! spec=HCH, no=1056, id=4104, vol=3.880000e+09
    or (resid 46 and name HG22) (resid 46 and name HG23)
    or (resid 46 and name HG22) (resid 46 and name HG21)
    or (resid 46 and name HG21) (resid 46 and name HG23)
    or (resid 46 and name HG22) (resid 46 and name HG23)
    or (resid 46 and name HG21) (resid 46 and name HG23)
assign (resid 46 and name HG22) (resid 47 and name HN) 2.886 1.041 1.041 weight 1.000 ! spec=HCH, no=1057, id=4105, vol=2.220000e+07
    or (resid 46 and name HG21) (resid 47 and name HN)
    or (resid 46 and name HG23) (resid 47 and name HN)
assign (resid 46 and name HG22) (resid 51 and name HB2) 2.896 1.048 1.048 weight 1.000 ! spec=HCH, no=1058, id=4106, vol=2.170000e+07
    or (resid 46 and name HG21) (resid 51 and name HB2)
    or (resid 46 and name HG23) (resid 51 and name HB2)
assign (resid 46 and name HG22) (resid 51 and name HB1) 2.850 1.015 1.015 weight 1.000 ! spec=HCH, no=1059, id=4107, vol=2.400000e+07
    or (resid 46 and name HG21) (resid 51 and name HB1)
    or (resid 46 and name HG23) (resid 51 and name HB1)
assign (resid 46 and name HG22) (resid 55 and name HE21) 3.656 1.670 1.670 weight 1.000 ! spec=HCH, no=1064, id=4112, vol=5.370000e+06
    or (resid 46 and name HG21) (resid 55 and name HE21)
    or (resid 46 and name HG23) (resid 55 and name HE21)
assign (resid 46 and name HG22) (resid 55 and name HE22) 3.737 1.746 1.746 weight 1.000 ! spec=HCH, no=1065, id=4113, vol=4.710000e+06
    or (resid 46 and name HG21) (resid 55 and name HE22)
    or (resid 46 and name HG23) (resid 55 and name HE22)
assign (resid 46 and name HG22) (resid 146 and name HB1) 3.055 1.166 1.166 weight 1.000 ! spec=HCH, no=1068, id=4116, vol=1.580000e+07
    or (resid 46 and name HG21) (resid 146 and name HB1)
    or (resid 46 and name HG23) (resid 146 and name HB1)
assign (resid 47 and name HA) (resid 47 and name HB1) 2.826 0.998 0.998 weight 1.000 ! spec=HCH, no=1076, id=4123, vol=2.520000e+07
assign (resid 47 and name HA) (resid 47 and name HG2) 2.326 0.676 0.676 weight 1.000 ! spec=HCH, no=1077, id=4124, vol=8.100000e+07
assign (resid 47 and name HN) (resid 47 and name HB2) 3.051 1.163 1.163 weight 1.000 ! spec=HCH, no=1080, id=4127, vol=1.590000e+07
assign (resid 47 and name HB2) (resid 47 and name HA) 2.768 0.958 0.958 weight 1.000 ! spec=HCH, no=1082, id=4129, vol=2.850000e+07
assign (resid 47 and name HB1) (resid 47 and name HB2) 1.888 0.446 0.446 weight 1.000 ! spec=HCH, no=1084, id=4131, vol=2.830000e+08
assign (resid 48 and name HN) (resid 47 and name HB2) 3.323 1.380 1.380 weight 1.000 ! spec=HCH, no=1086, id=4133, vol=9.520000e+06
assign (resid 47 and name HG2) (resid 48 and name HN) 3.152 1.242 1.242 weight 1.000 ! spec=HCH, no=1090, id=4137, vol=1.310000e+07
assign (resid 46 and name HG12) (resid 47 and name HG2) 3.361 1.412 1.412 weight 1.000 ! spec=HCH, no=1092, id=4139, vol=8.900000e+06
    or (resid 46 and name HG11) (resid 47 and name HG2)
    or (resid 46 and name HG13) (resid 47 and name HG2)
assign (resid 47 and name HG2) (resid 47 and name HN) 2.828 0.999 0.999 weight 1.000 ! spec=HCH, no=1093, id=4140, vol=2.510000e+07
assign (resid 47 and name HG2) (resid 47 and name HB1) 1.896 0.450 0.450 weight 1.000 ! spec=HCH, no=1095, id=4142, vol=2.760000e+08
assign (resid 48 and name HA) (resid 46 and name HG12) 2.739 0.938 0.938 weight 1.000 ! spec=HCH, no=1099, id=4146, vol=3.040000e+07
    or (resid 48 and name HA) (resid 46 and name HG11)
    or (resid 48 and name HA) (resid 46 and name HG13)
assign (resid 48 and name HN) (resid 48 and name HA) 2.624 0.861 0.861 weight 1.000 ! spec=HCH, no=1100, id=4147, vol=3.930000e+07
assign (resid 48 and name HA) (resid 48 and name HB2) 2.399 0.719 0.719 weight 1.000 ! spec=HCH, no=1102, id=4148, vol=6.730000e+07
assign (resid 48 and name HA) (resid 48 and name HB1) 2.285 0.653 0.653 weight 1.000 ! spec=HCH, no=1103, id=4149, vol=9.010000e+07
assign (resid 48 and name HA) (resid 49 and name HG22) 2.987 1.116 1.116 weight 1.000 ! spec=HCH, no=1106, id=4152, vol=1.800000e+07
    or (resid 48 and name HA) (resid 49 and name HG21)
    or (resid 48 and name HA) (resid 49 and name HG23)
assign (resid 48 and name HB2) (resid 50 and name HG2) 2.993 1.120 1.120 weight 1.000 ! spec=HCH, no=1108, id=4154, vol=1.780000e+07
assign (resid 48 and name HB2) (resid 46 and name HG12) 3.466 1.501 1.501 weight 1.000 ! spec=HCH, no=1113, id=4159, vol=7.400000e+06
    or (resid 48 and name HB2) (resid 46 and name HG11)
    or (resid 48 and name HB2) (resid 46 and name HG13)
assign (resid 48 and name HB1) (resid 48 and name HB2) 2.077 0.539 0.539 weight 1.000 ! spec=HCH, no=1121, id=4166, vol=1.600000e+08
assign (resid 48 and name HB1) (resid 49 and name HN) 2.622 0.859 0.859 weight 1.000 ! spec=HCH, no=1124, id=4168, vol=3.950000e+07
assign (resid 48 and name HB1) (resid 49 and name HB) 3.396 1.442 1.442 weight 1.000 ! spec=HCH, no=1125, id=4169, vol=8.360000e+06
assign (resid 48 and name HB2) (resid 50 and name HB2) 3.372 1.421 1.421 weight 1.000 ! spec=HCH, no=1130, id=4174, vol=8.720000e+06
assign (resid 48 and name HB1) (resid 50 and name HB2) 3.226 1.301 1.301 weight 1.000 ! spec=HCH, no=1131, id=4175, vol=1.140000e+07
assign (resid 48 and name HB2) (resid 51 and name HN) 3.674 1.688 1.688 weight 1.000 ! spec=HCH, no=1132, id=4176, vol=5.210000e+06
assign (resid 48 and name HB2) (resid 52 and name HN) 3.992 1.992 1.992 weight 1.000 ! spec=HCH, no=1134, id=4178, vol=3.170000e+06
assign (resid 52 and name HN) (resid 48 and name HB1) 4.083 2.084 2.084 weight 1.000 ! spec=HCH, no=1135, id=4179, vol=2.770000e+06
assign (resid 46 and name HG12) (resid 49 and name HA) 2.752 0.946 0.946 weight 1.000 ! spec=HCH, no=1138, id=4182, vol=2.950000e+07
    or (resid 46 and name HG11) (resid 49 and name HA)
    or (resid 46 and name HG13) (resid 49 and name HA)
assign (resid 49 and name HA) (resid 48 and name HA) 3.168 1.255 1.255 weight 1.000 ! spec=HCH, no=1139, id=4183, vol=1.270000e+07
assign (resid 49 and name HA) (resid 49 and name HB) 2.338 0.684 0.684 weight 1.000 ! spec=HCH, no=1141, id=4185, vol=7.840000e+07
assign (resid 49 and name HA) (resid 49 and name HG12) 2.515 0.791 0.791 weight 1.000 ! spec=HCH, no=1142, id=4186, vol=5.060000e+07
assign (resid 49 and name HA) (resid 49 and name HG22) 2.378 0.707 0.707 weight 1.000 ! spec=HCH, no=1143, id=4187, vol=7.090000e+07
    or (resid 49 and name HA) (resid 49 and name HG21)
    or (resid 49 and name HA) (resid 49 and name HG23)
assign (resid 49 and name HA) (resid 51 and name HN) 3.293 1.355 1.355 weight 1.000 ! spec=HCH, no=1145, id=4189, vol=1.010000e+07
assign (resid 52 and name HN) (resid 49 and name HA) 2.859 1.022 1.022 weight 1.000 ! spec=HCH, no=1146, id=4190, vol=2.350000e+07
assign (resid 49 and name HB) (resid 143 and name HB1) 3.725 1.734 1.734 weight 1.000 ! spec=HCH, no=1150, id=4194, vol=4.800000e+06
assign (resid 49 and name HB) (resid 90 and name HD22) 3.508 1.538 1.538 weight 1.000 ! spec=HCH, no=1151, id=4195, vol=6.880000e+06
    or (resid 49 and name HB) (resid 90 and name HD21)
    or (resid 49 and name HB) (resid 90 and name HD23)
assign (resid 48 and name HA) (resid 49 and name HB) 3.470 1.505 1.505 weight 1.000 ! spec=HCH, no=1154, id=4198, vol=7.340000e+06
assign (resid 49 and name HB) (resid 50 and name HN) 3.281 1.346 1.346 weight 1.000 ! spec=HCH, no=1161, id=4204, vol=1.030000e+07
assign (resid 49 and name HB) (resid 52 and name HG12) 3.190 1.272 1.272 weight 1.000 ! spec=HCH, no=1163, id=4206, vol=1.220000e+07
    or (resid 49 and name HB) (resid 52 and name HG11)
    or (resid 49 and name HB) (resid 52 and name HG13)
assign (resid 49 and name HD12) (resid 94 and name HN) 3.711 1.722 1.722 weight 1.000 ! spec=HCH, no=1164, id=4207, vol=4.910000e+06
    or (resid 49 and name HD11) (resid 94 and name HN)
    or (resid 49 and name HD13) (resid 94 and name HN)
assign (resid 49 and name HD12) (resid 143 and name HB1) 3.260 1.329 1.329 weight 1.000 ! spec=HCH, no=1168, id=4210, vol=1.070000e+07
    or (resid 49 and name HD11) (resid 143 and name HB1)
    or (resid 49 and name HD13) (resid 143 and name HB1)
assign (resid 49 and name HD12) (resid 143 and name HA) 3.250 1.320 1.320 weight 1.000 ! spec=HCH, no=1171, id=4213, vol=1.090000e+07
    or (resid 49 and name HD11) (resid 143 and name HA)
    or (resid 49 and name HD13) (resid 143 and name HA)
assign (resid 49 and name HD12) (resid 94 and name HA) 3.671 1.685 1.685 weight 1.000 ! spec=HCH, no=1175, id=4217, vol=5.240000e+06
    or (resid 49 and name HD11) (resid 94 and name HA)
    or (resid 49 and name HD13) (resid 94 and name HA)
assign (resid 49 and name HN) (resid 49 and name HD12) 3.030 1.148 1.148 weight 1.000 ! spec=HCH, no=1181, id=4223, vol=1.660000e+07
    or (resid 49 and name HN) (resid 49 and name HD11)
    or (resid 49 and name HN) (resid 49 and name HD13)
assign (resid 49 and name HD12) (resid 49 and name HB) 2.184 0.596 0.596 weight 1.000 ! spec=HCH, no=1183, id=4225, vol=1.180000e+08
    or (resid 49 and name HD11) (resid 49 and name HB)
    or (resid 49 and name HD13) (resid 49 and name HB)
assign (resid 49 and name HD12) (resid 49 and name HG12) 2.150 0.578 0.578 weight 1.000 ! spec=HCH, no=1184, id=4226, vol=1.300000e+08
    or (resid 49 and name HD11) (resid 49 and name HG12)
    or (resid 49 and name HD13) (resid 49 and name HG12)
assign (resid 49 and name HD12) (resid 49 and name HD11) 1.212 0.184 0.184 weight 1.000 ! spec=HCH, no=1185, id=4227, vol=4.050000e+09
    or (resid 49 and name HD12) (resid 49 and name HD13)
    or (resid 49 and name HD12) (resid 49 and name HD11)
    or (resid 49 and name HD11) (resid 49 and name HD13)
    or (resid 49 and name HD12) (resid 49 and name HD13)
    or (resid 49 and name HD11) (resid 49 and name HD13)
assign (resid 49 and name HD12) (resid 91 and name HN) 3.964 1.964 1.964 weight 1.000 ! spec=HCH, no=1189, id=4231, vol=3.310000e+06
    or (resid 49 and name HD11) (resid 91 and name HN)
    or (resid 49 and name HD13) (resid 91 and name HN)
assign (resid 49 and name HD12) (resid 128 and name HB2) 3.265 1.333 1.333 weight 1.000 ! spec=HCH, no=1190, id=4232, vol=1.060000e+07
    or (resid 49 and name HD11) (resid 128 and name HB2)
    or (resid 49 and name HD13) (resid 128 and name HB2)
assign (resid 49 and name HD12) (resid 143 and name HB2) 3.444 1.483 1.483 weight 1.000 ! spec=HCH, no=1191, id=4233, vol=7.690000e+06
    or (resid 49 and name HD11) (resid 143 and name HB2)
    or (resid 49 and name HD13) (resid 143 and name HB2)
assign (resid 49 and name HB) (resid 49 and name HG12) 2.505 0.784 0.784 weight 1.000 ! spec=HCH, no=1194, id=4236, vol=5.200000e+07
assign (resid 49 and name HG12) (resid 90 and name HD22) 3.355 1.407 1.407 weight 1.000 ! spec=HCH, no=1195, id=4237, vol=8.990000e+06
    or (resid 49 and name HG12) (resid 90 and name HD21)
    or (resid 49 and name HG12) (resid 90 and name HD23)
assign (resid 49 and name HG12) (resid 90 and name HD12) 3.119 1.216 1.216 weight 1.000 ! spec=HCH, no=1196, id=4238, vol=1.390000e+07
    or (resid 49 and name HG12) (resid 90 and name HD11)
    or (resid 49 and name HG12) (resid 90 and name HD13)
assign (resid 49 and name HN) (resid 49 and name HG12) 3.286 1.350 1.350 weight 1.000 ! spec=HCH, no=1200, id=4242, vol=1.020000e+07
assign (resid 49 and name HN) (resid 49 and name HG11) 3.214 1.291 1.291 weight 1.000 ! spec=HCH, no=1201, id=4243, vol=1.160000e+07
assign (resid 49 and name HG11) (resid 49 and name HA) 2.829 1.001 1.001 weight 1.000 ! spec=HCH, no=1203, id=4245, vol=2.500000e+07
assign (resid 49 and name HG12) (resid 105 and name HZ) 3.084 1.189 1.189 weight 1.000 ! spec=HCH, no=1206, id=4248, vol=1.490000e+07
assign (resid 49 and name HG11) (resid 105 and name HZ) 3.092 1.195 1.195 weight 1.000 ! spec=HCH, no=1207, id=4249, vol=1.470000e+07
assign (resid 49 and name HG22) (resid 53 and name HD1) 3.765 1.772 1.772 weight 1.000 ! spec=HCH, no=1216, id=4253, vol=4.500000e+06
    or (resid 49 and name HG21) (resid 53 and name HD1)
    or (resid 49 and name HG23) (resid 53 and name HD1)
assign (resid 49 and name HG11) (resid 49 and name HG22) 2.189 0.599 0.599 weight 1.000 ! spec=HCH, no=1218, id=4254, vol=1.170000e+08
    or (resid 49 and name HG11) (resid 49 and name HG21)
    or (resid 49 and name HG11) (resid 49 and name HG23)
assign (resid 49 and name HG22) (resid 105 and name HD1) 3.316 1.374 1.374 weight 1.000 ! spec=HCH, no=1221, id=4257, vol=9.650000e+06
    or (resid 49 and name HG22) (resid 105 and name HD2)
    or (resid 49 and name HG21) (resid 105 and name HD1)
    or (resid 49 and name HG21) (resid 105 and name HD2)
    or (resid 49 and name HG23) (resid 105 and name HD1)
    or (resid 49 and name HG23) (resid 105 and name HD2)
assign (resid 49 and name HG22) (resid 143 and name HN) 4.103 2.104 2.104 weight 1.000 ! spec=HCH, no=1224, id=4260, vol=2.690000e+06
    or (resid 49 and name HG21) (resid 143 and name HN)
    or (resid 49 and name HG23) (resid 143 and name HN)
assign (resid 48 and name HB1) (resid 49 and name HG22) 2.930 1.073 1.073 weight 1.000 ! spec=HCH, no=1226, id=4262, vol=2.030000e+07
    or (resid 48 and name HB1) (resid 49 and name HG21)
    or (resid 48 and name HB1) (resid 49 and name HG23)
assign (resid 49 and name HG22) (resid 144 and name HG2) 2.681 0.898 0.898 weight 1.000 ! spec=HCH, no=1234, id=4270, vol=3.450000e+07
    or (resid 49 and name HG22) (resid 144 and name HG1)
    or (resid 49 and name HG21) (resid 144 and name HG2)
    or (resid 49 and name HG21) (resid 144 and name HG1)
    or (resid 49 and name HG23) (resid 144 and name HG2)
    or (resid 49 and name HG23) (resid 144 and name HG1)
assign (resid 49 and name HG22) (resid 142 and name HA) 4.009 2.009 2.009 weight 1.000 ! spec=HCH, no=1236, id=4272, vol=3.090000e+06
    or (resid 49 and name HG21) (resid 142 and name HA)
    or (resid 49 and name HG23) (resid 142 and name HA)
assign (resid 49 and name HN) (resid 49 and name HG22) 2.247 0.631 0.631 weight 1.000 ! spec=HCH, no=1237, id=4273, vol=9.970000e+07
    or (resid 49 and name HN) (resid 49 and name HG21)
    or (resid 49 and name HN) (resid 49 and name HG23)
assign (resid 49 and name HB) (resid 49 and name HG22) 2.044 0.522 0.522 weight 1.000 ! spec=HCH, no=1239, id=4275, vol=1.760000e+08
    or (resid 49 and name HB) (resid 49 and name HG21)
    or (resid 49 and name HB) (resid 49 and name HG23)
assign (resid 49 and name HG22) (resid 49 and name HG21) 1.157 0.167 0.167 weight 1.000 ! spec=HCH, no=1240, id=4276, vol=5.340000e+09
    or (resid 49 and name HG22) (resid 49 and name HG23)
    or (resid 49 and name HG22) (resid 49 and name HG21)
    or (resid 49 and name HG21) (resid 49 and name HG23)
    or (resid 49 and name HG22) (resid 49 and name HG23)
    or (resid 49 and name HG21) (resid 49 and name HG23)
assign (resid 50 and name HN) (resid 49 and name HG22) 2.317 0.671 0.671 weight 1.000 ! spec=HCH, no=1241, id=4277, vol=8.290000e+07
    or (resid 50 and name HN) (resid 49 and name HG21)
    or (resid 50 and name HN) (resid 49 and name HG23)
assign (resid 49 and name HG22) (resid 50 and name HA) 2.824 0.997 0.997 weight 1.000 ! spec=HCH, no=1242, id=4278, vol=2.530000e+07
    or (resid 49 and name HG21) (resid 50 and name HA)
    or (resid 49 and name HG23) (resid 50 and name HA)
assign (resid 49 and name HG22) (resid 94 and name HA) 3.763 1.770 1.770 weight 1.000 ! spec=HCH, no=1243, id=4279, vol=4.520000e+06
    or (resid 49 and name HG21) (resid 94 and name HA)
    or (resid 49 and name HG23) (resid 94 and name HA)
assign (resid 49 and name HG22) (resid 94 and name HD1) 3.672 1.685 1.685 weight 1.000 ! spec=HCH, no=1244, id=4280, vol=5.230000e+06
    or (resid 49 and name HG21) (resid 94 and name HD1)
    or (resid 49 and name HG23) (resid 94 and name HD1)
assign (resid 49 and name HG22) (resid 105 and name HZ) 2.289 0.655 0.655 weight 1.000 ! spec=HCH, no=1245, id=4281, vol=8.920000e+07
    or (resid 49 and name HG21) (resid 105 and name HZ)
    or (resid 49 and name HG23) (resid 105 and name HZ)
assign (resid 50 and name HA) (resid 50 and name HG2) 2.646 0.875 0.875 weight 1.000 ! spec=HCH, no=1246, id=4282, vol=3.740000e+07
assign (resid 50 and name HA) (resid 50 and name HB2) 2.313 0.669 0.669 weight 1.000 ! spec=HCH, no=1257, id=4292, vol=8.380000e+07
assign (resid 50 and name HA) (resid 51 and name HA) 3.852 1.854 1.854 weight 1.000 ! spec=HCH, no=1259, id=4294, vol=3.930000e+06
assign (resid 50 and name HA) (resid 52 and name HG12) 3.781 1.787 1.787 weight 1.000 ! spec=HCH, no=1260, id=4295, vol=4.390000e+06
    or (resid 50 and name HA) (resid 52 and name HG11)
    or (resid 50 and name HA) (resid 52 and name HG13)
assign (resid 50 and name HA) (resid 53 and name HN) 2.878 1.035 1.035 weight 1.000 ! spec=HCH, no=1261, id=4296, vol=2.260000e+07
assign (resid 50 and name HA) (resid 53 and name HD2) 3.675 1.688 1.688 weight 1.000 ! spec=HCH, no=1262, id=4297, vol=5.200000e+06
assign (resid 50 and name HA) (resid 53 and name HG1) 2.780 0.966 0.966 weight 1.000 ! spec=HCH, no=1263, id=4298, vol=2.780000e+07
assign (resid 50 and name HA) (resid 53 and name HB2) 2.726 0.929 0.929 weight 1.000 ! spec=HCH, no=1264, id=4299, vol=3.120000e+07
assign (resid 50 and name HB2) (resid 50 and name HG2) 2.163 0.585 0.585 weight 1.000 ! spec=HCH, no=1268, id=4303, vol=1.250000e+08
assign (resid 49 and name HN) (resid 50 and name HB2) 3.825 1.828 1.828 weight 1.000 ! spec=HCH, no=1272, id=4307, vol=4.100000e+06
assign (resid 49 and name HG22) (resid 50 and name HB2) 3.263 1.331 1.331 weight 1.000 ! spec=HCH, no=1273, id=4308, vol=1.060000e+07
    or (resid 49 and name HG21) (resid 50 and name HB2)
    or (resid 49 and name HG23) (resid 50 and name HB2)
assign (resid 50 and name HB2) (resid 53 and name HG1) 3.653 1.668 1.668 weight 1.000 ! spec=HCH, no=1278, id=4312, vol=5.400000e+06
assign (resid 50 and name HG1) (resid 50 and name HB2) 2.219 0.615 0.615 weight 1.000 ! spec=HCH, no=1284, id=4318, vol=1.070000e+08
    or (resid 50 and name HG1) (resid 50 and name HB1)
assign (resid 50 and name HG1) (resid 49 and name HG22) 3.165 1.252 1.252 weight 1.000 ! spec=HCH, no=1286, id=4320, vol=1.270000e+07
    or (resid 50 and name HG1) (resid 49 and name HG21)
    or (resid 50 and name HG1) (resid 49 and name HG23)
assign (resid 50 and name HG1) (resid 50 and name HN) 2.938 1.079 1.079 weight 1.000 ! spec=HCH, no=1288, id=4322, vol=1.990000e+07
assign (resid 50 and name HG1) (resid 50 and name HA) 2.808 0.986 0.986 weight 1.000 ! spec=HCH, no=1290, id=4324, vol=2.610000e+07
assign (resid 50 and name HG1) (resid 51 and name HN) 3.507 1.537 1.537 weight 1.000 ! spec=HCH, no=1291, id=4325, vol=6.900000e+06
assign (resid 50 and name HG1) (resid 105 and name HZ) 3.803 1.808 1.808 weight 1.000 ! spec=HCH, no=1293, id=4327, vol=4.240000e+06
assign (resid 51 and name HA) (resid 51 and name HB1) 2.593 0.841 0.841 weight 1.000 ! spec=HCH, no=1295, id=4329, vol=4.220000e+07
assign (resid 51 and name HA) (resid 50 and name HB2) 3.081 1.187 1.187 weight 1.000 ! spec=HCH, no=1297, id=4331, vol=1.500000e+07
assign (resid 51 and name HA) (resid 54 and name HN) 2.960 1.095 1.095 weight 1.000 ! spec=HCH, no=1300, id=4334, vol=1.910000e+07
assign (resid 51 and name HB2) (resid 55 and name HE21) 3.816 1.820 1.820 weight 1.000 ! spec=HCH, no=1303, id=4337, vol=4.150000e+06
assign (resid 48 and name HN) (resid 51 and name HB2) 3.040 1.155 1.155 weight 1.000 ! spec=HCH, no=1305, id=4339, vol=1.630000e+07
assign (resid 46 and name HA) (resid 51 and name HB2) 2.543 0.808 0.808 weight 1.000 ! spec=HCH, no=1308, id=4342, vol=4.740000e+07
assign (resid 46 and name HA) (resid 51 and name HB1) 2.681 0.898 0.898 weight 1.000 ! spec=HCH, no=1309, id=4343, vol=3.460000e+07
assign (resid 51 and name HN) (resid 51 and name HB2) 2.997 1.123 1.123 weight 1.000 ! spec=HCH, no=1315, id=4349, vol=1.770000e+07
assign (resid 51 and name HB2) (resid 51 and name HA) 2.543 0.808 0.808 weight 1.000 ! spec=HCH, no=1317, id=4351, vol=4.740000e+07
assign (resid 46 and name HG22) (resid 52 and name HA) 2.794 0.976 0.976 weight 1.000 ! spec=HCH, no=1323, id=4357, vol=2.690000e+07
    or (resid 46 and name HG21) (resid 52 and name HA)
    or (resid 46 and name HG23) (resid 52 and name HA)
assign (resid 52 and name HA) (resid 52 and name HB) 2.882 1.039 1.039 weight 1.000 ! spec=HCH, no=1327, id=4360, vol=2.240000e+07
assign (resid 52 and name HA) (resid 52 and name HG12) 2.374 0.704 0.704 weight 1.000 ! spec=HCH, no=1328, id=4361, vol=7.170000e+07
    or (resid 52 and name HA) (resid 52 and name HG11)
    or (resid 52 and name HA) (resid 52 and name HG13)
assign (resid 52 and name HA) (resid 55 and name HB2) 3.267 1.334 1.334 weight 1.000 ! spec=HCH, no=1332, id=4365, vol=1.050000e+07
assign (resid 52 and name HA) (resid 55 and name HG1) 3.198 1.279 1.279 weight 1.000 ! spec=HCH, no=1335, id=4368, vol=1.200000e+07
assign (resid 52 and name HB) (resid 46 and name HG12) 3.222 1.297 1.297 weight 1.000 ! spec=HCH, no=1336, id=4369, vol=1.150000e+07
    or (resid 52 and name HB) (resid 46 and name HG11)
    or (resid 52 and name HB) (resid 46 and name HG13)
assign (resid 52 and name HB) (resid 46 and name HG22) 3.289 1.352 1.352 weight 1.000 ! spec=HCH, no=1337, id=4370, vol=1.010000e+07
    or (resid 52 and name HB) (resid 46 and name HG21)
    or (resid 52 and name HB) (resid 46 and name HG23)
assign (resid 49 and name HA) (resid 52 and name HB) 3.007 1.130 1.130 weight 1.000 ! spec=HCH, no=1338, id=4371, vol=1.740000e+07
assign (resid 52 and name HB) (resid 49 and name HG12) 3.478 1.512 1.512 weight 1.000 ! spec=HCH, no=1339, id=4372, vol=7.250000e+06
assign (resid 52 and name HB) (resid 53 and name HG1) 4.023 2.023 2.023 weight 1.000 ! spec=HCH, no=1347, id=4379, vol=3.020000e+06
assign (resid 52 and name HG12) (resid 48 and name HA) 3.597 1.617 1.617 weight 1.000 ! spec=HCH, no=1350, id=4382, vol=5.920000e+06
    or (resid 52 and name HG11) (resid 48 and name HA)
    or (resid 52 and name HG13) (resid 48 and name HA)
assign (resid 52 and name HG12) (resid 55 and name HE22) 3.726 1.735 1.735 weight 1.000 ! spec=HCH, no=1351, id=4383, vol=4.790000e+06
    or (resid 52 and name HG11) (resid 55 and name HE22)
    or (resid 52 and name HG13) (resid 55 and name HE22)
assign (resid 52 and name HG12) (resid 48 and name HN) 3.061 1.171 1.171 weight 1.000 ! spec=HCH, no=1354, id=4385, vol=1.560000e+07
    or (resid 52 and name HG11) (resid 48 and name HN)
    or (resid 52 and name HG13) (resid 48 and name HN)
assign (resid 49 and name HA) (resid 52 and name HG12) 2.394 0.717 0.717 weight 1.000 ! spec=HCH, no=1360, id=4391, vol=6.810000e+07
    or (resid 49 and name HA) (resid 52 and name HG11)
    or (resid 49 and name HA) (resid 52 and name HG13)
assign (resid 52 and name HG12) (resid 49 and name HG12) 2.820 0.994 0.994 weight 1.000 ! spec=HCH, no=1362, id=4393, vol=2.550000e+07
    or (resid 52 and name HG11) (resid 49 and name HG12)
    or (resid 52 and name HG13) (resid 49 and name HG12)
assign (resid 51 and name HB1) (resid 52 and name HG12) 3.005 1.129 1.129 weight 1.000 ! spec=HCH, no=1367, id=4398, vol=1.740000e+07
    or (resid 51 and name HB1) (resid 52 and name HG11)
    or (resid 51 and name HB1) (resid 52 and name HG13)
assign (resid 52 and name HN) (resid 52 and name HG12) 2.217 0.614 0.614 weight 1.000 ! spec=HCH, no=1368, id=4399, vol=1.080000e+08
    or (resid 52 and name HN) (resid 52 and name HG11)
    or (resid 52 and name HN) (resid 52 and name HG13)
assign (resid 52 and name HB) (resid 52 and name HG12) 2.128 0.566 0.566 weight 1.000 ! spec=HCH, no=1370, id=4401, vol=1.380000e+08
    or (resid 52 and name HB) (resid 52 and name HG11)
    or (resid 52 and name HB) (resid 52 and name HG13)
assign (resid 52 and name HG12) (resid 52 and name HG11) 1.294 0.209 0.209 weight 1.000 ! spec=HCH, no=1371, id=4402, vol=2.740000e+09
    or (resid 52 and name HG12) (resid 52 and name HG13)
    or (resid 52 and name HG12) (resid 52 and name HG11)
    or (resid 52 and name HG11) (resid 52 and name HG13)
    or (resid 52 and name HG12) (resid 52 and name HG13)
    or (resid 52 and name HG11) (resid 52 and name HG13)
assign (resid 52 and name HG12) (resid 53 and name HN) 2.713 0.920 0.920 weight 1.000 ! spec=HCH, no=1372, id=4403, vol=3.220000e+07
    or (resid 52 and name HG11) (resid 53 and name HN)
    or (resid 52 and name HG13) (resid 53 and name HN)
assign (resid 52 and name HG12) (resid 53 and name HG1) 2.999 1.125 1.125 weight 1.000 ! spec=HCH, no=1374, id=4405, vol=1.760000e+07
    or (resid 52 and name HG11) (resid 53 and name HG1)
    or (resid 52 and name HG13) (resid 53 and name HG1)
assign (resid 52 and name HG12) (resid 143 and name HB2) 3.040 1.156 1.156 weight 1.000 ! spec=HCH, no=1377, id=4408, vol=1.620000e+07
    or (resid 52 and name HG11) (resid 143 and name HB2)
    or (resid 52 and name HG13) (resid 143 and name HB2)
assign (resid 52 and name HG22) (resid 149 and name HN) 3.279 1.344 1.344 weight 1.000 ! spec=HCH, no=1383, id=4414, vol=1.030000e+07
    or (resid 52 and name HG21) (resid 149 and name HN)
    or (resid 52 and name HG23) (resid 149 and name HN)
assign (resid 52 and name HG22) (resid 63 and name HG2) 2.720 0.925 0.925 weight 1.000 ! spec=HCH, no=1384, id=4415, vol=3.170000e+07
    or (resid 52 and name HG21) (resid 63 and name HG2)
    or (resid 52 and name HG23) (resid 63 and name HG2)
assign (resid 52 and name HG22) (resid 52 and name HN) 2.783 0.968 0.968 weight 1.000 ! spec=HCH, no=1388, id=4419, vol=2.760000e+07
    or (resid 52 and name HG21) (resid 52 and name HN)
    or (resid 52 and name HG23) (resid 52 and name HN)
assign (resid 52 and name HA) (resid 52 and name HG22) 2.232 0.623 0.623 weight 1.000 ! spec=HCH, no=1389, id=4420, vol=1.040000e+08
    or (resid 52 and name HA) (resid 52 and name HG21)
    or (resid 52 and name HA) (resid 52 and name HG23)
assign (resid 52 and name HB) (resid 52 and name HG22) 2.162 0.584 0.584 weight 1.000 ! spec=HCH, no=1390, id=4421, vol=1.250000e+08
    or (resid 52 and name HB) (resid 52 and name HG21)
    or (resid 52 and name HB) (resid 52 and name HG23)
assign (resid 53 and name HN) (resid 52 and name HG22) 2.721 0.926 0.926 weight 1.000 ! spec=HCH, no=1391, id=4422, vol=3.160000e+07
    or (resid 53 and name HN) (resid 52 and name HG21)
    or (resid 53 and name HN) (resid 52 and name HG23)
assign (resid 53 and name HB2) (resid 53 and name HD2) 3.109 1.208 1.208 weight 1.000 ! spec=HCH, no=1393, id=4424, vol=1.420000e+07
assign (resid 53 and name HB2) (resid 52 and name HN) 3.608 1.628 1.628 weight 1.000 ! spec=HCH, no=1397, id=4428, vol=5.810000e+06
assign (resid 53 and name HB2) (resid 105 and name HD1) 3.585 1.607 1.607 weight 1.000 ! spec=HCH, no=1402, id=4433, vol=6.040000e+06
assign (resid 53 and name HD2) (resid 53 and name HG1) 2.183 0.596 0.596 weight 1.000 ! spec=HCH, no=1409, id=4439, vol=1.180000e+08
assign (resid 63 and name HN) (resid 53 and name HG2) 3.774 1.781 1.781 weight 1.000 ! spec=HCH, no=1411, id=4441, vol=4.440000e+06
assign (resid 53 and name HG2) (resid 51 and name HA) 4.062 2.063 2.063 weight 1.000 ! spec=HCH, no=1414, id=4444, vol=2.850000e+06
assign (resid 53 and name HG2) (resid 52 and name HN) 3.747 1.755 1.755 weight 1.000 ! spec=HCH, no=1417, id=4447, vol=4.630000e+06
assign (resid 53 and name HG2) (resid 53 and name HA) 3.841 1.844 1.844 weight 1.000 ! spec=HCH, no=1418, id=4448, vol=3.990000e+06
assign (resid 53 and name HG2) (resid 53 and name HD2) 2.937 1.079 1.079 weight 1.000 ! spec=HCH, no=1419, id=4449, vol=2.000000e+07
assign (resid 53 and name HG2) (resid 53 and name HD1) 3.032 1.149 1.149 weight 1.000 ! spec=HCH, no=1421, id=4451, vol=1.650000e+07
assign (resid 53 and name HG1) (resid 53 and name HD1) 3.128 1.223 1.223 weight 1.000 ! spec=HCH, no=1422, id=4452, vol=1.370000e+07
assign (resid 53 and name HE) (resid 53 and name HG1) 3.199 1.279 1.279 weight 1.000 ! spec=HCH, no=1424, id=4454, vol=1.200000e+07
assign (resid 53 and name HG2) (resid 53 and name HG1) 2.296 0.659 0.659 weight 1.000 ! spec=HCH, no=1425, id=4455, vol=8.750000e+07
assign (resid 54 and name HB2) (resid 52 and name HG22) 3.704 1.715 1.715 weight 1.000 ! spec=HCH, no=1432, id=4461, vol=4.960000e+06
    or (resid 54 and name HB2) (resid 52 and name HG21)
    or (resid 54 and name HB2) (resid 52 and name HG23)
assign (resid 54 and name HB2) (resid 57 and name HN) 3.779 1.785 1.785 weight 1.000 ! spec=HCH, no=1433, id=4462, vol=4.400000e+06
assign (resid 51 and name HA) (resid 54 and name HB2) 2.529 0.799 0.799 weight 1.000 ! spec=HCH, no=1438, id=4467, vol=4.900000e+07
assign (resid 54 and name HB2) (resid 53 and name HG1) 3.330 1.386 1.386 weight 1.000 ! spec=HCH, no=1439, id=4468, vol=9.400000e+06
assign (resid 54 and name HA) (resid 54 and name HB2) 2.370 0.702 0.702 weight 1.000 ! spec=HCH, no=1441, id=4470, vol=7.230000e+07
assign (resid 54 and name HD21) (resid 54 and name HB2) 2.442 0.745 0.745 weight 1.000 ! spec=HCH, no=1442, id=4471, vol=6.050000e+07
assign (resid 54 and name HB2) (resid 55 and name HA) 3.479 1.513 1.513 weight 1.000 ! spec=HCH, no=1444, id=4473, vol=7.240000e+06
assign (resid 55 and name HA) (resid 55 and name HB2) 2.411 0.727 0.727 weight 1.000 ! spec=HCH, no=1447, id=4476, vol=6.520000e+07
assign (resid 55 and name HA) (resid 58 and name HB1) 2.874 1.033 1.033 weight 1.000 ! spec=HCH, no=1449, id=4478, vol=2.270000e+07
assign (resid 55 and name HA) (resid 40 and name HD22) 3.210 1.288 1.288 weight 1.000 ! spec=HCH, no=1450, id=4479, vol=1.170000e+07
    or (resid 55 and name HA) (resid 40 and name HD21)
    or (resid 55 and name HA) (resid 40 and name HD23)
assign (resid 56 and name HN) (resid 55 and name HA) 3.043 1.157 1.157 weight 1.000 ! spec=HCH, no=1453, id=4481, vol=1.620000e+07
assign (resid 55 and name HA) (resid 58 and name HN) 3.167 1.254 1.254 weight 1.000 ! spec=HCH, no=1455, id=4483, vol=1.270000e+07
assign (resid 55 and name HB1) (resid 40 and name HD22) 3.139 1.232 1.232 weight 1.000 ! spec=HCH, no=1460, id=4488, vol=1.340000e+07
    or (resid 55 and name HB1) (resid 40 and name HD21)
    or (resid 55 and name HB1) (resid 40 and name HD23)
assign (resid 55 and name HN) (resid 55 and name HB1) 2.948 1.086 1.086 weight 1.000 ! spec=HCH, no=1462, id=4490, vol=1.950000e+07
assign (resid 55 and name HB1) (resid 55 and name HA) 2.820 0.994 0.994 weight 1.000 ! spec=HCH, no=1464, id=4492, vol=2.550000e+07
assign (resid 55 and name HB1) (resid 55 and name HB2) 2.077 0.539 0.539 weight 1.000 ! spec=HCH, no=1465, id=4493, vol=1.600000e+08
assign (resid 56 and name HN) (resid 55 and name HB1) 3.156 1.245 1.245 weight 1.000 ! spec=HCH, no=1467, id=4495, vol=1.300000e+07
assign (resid 55 and name HB2) (resid 151 and name HG21) 3.112 1.211 1.211 weight 1.000 ! spec=HCH, no=1468, id=4496, vol=1.410000e+07
    or (resid 55 and name HB2) (resid 151 and name HG22)
    or (resid 55 and name HB2) (resid 151 and name HG23)
assign (resid 55 and name HB1) (resid 151 and name HG21) 3.171 1.257 1.257 weight 1.000 ! spec=HCH, no=1469, id=4497, vol=1.260000e+07
    or (resid 55 and name HB1) (resid 151 and name HG22)
    or (resid 55 and name HB1) (resid 151 and name HG23)
assign (resid 55 and name HG2) (resid 54 and name HB2) 3.056 1.168 1.168 weight 1.000 ! spec=HCH, no=1473, id=4501, vol=1.570000e+07
    or (resid 55 and name HG2) (resid 54 and name HB1)
assign (resid 55 and name HG1) (resid 151 and name HG21) 3.141 1.233 1.233 weight 1.000 ! spec=HCH, no=1475, id=4503, vol=1.330000e+07
    or (resid 55 and name HG1) (resid 151 and name HG22)
    or (resid 55 and name HG1) (resid 151 and name HG23)
assign (resid 55 and name HG2) (resid 40 and name HD22) 3.400 1.445 1.445 weight 1.000 ! spec=HCH, no=1477, id=4505, vol=8.300000e+06
    or (resid 55 and name HG2) (resid 40 and name HD21)
    or (resid 55 and name HG2) (resid 40 and name HD23)
assign (resid 55 and name HG2) (resid 52 and name HA) 3.099 1.201 1.201 weight 1.000 ! spec=HCH, no=1479, id=4507, vol=1.450000e+07
assign (resid 55 and name HN) (resid 55 and name HG1) 2.718 0.924 0.924 weight 1.000 ! spec=HCH, no=1482, id=4510, vol=3.180000e+07
assign (resid 55 and name HG2) (resid 55 and name HA) 2.820 0.994 0.994 weight 1.000 ! spec=HCH, no=1483, id=4511, vol=2.550000e+07
assign (resid 55 and name HG1) (resid 55 and name HA) 2.915 1.062 1.062 weight 1.000 ! spec=HCH, no=1484, id=4512, vol=2.090000e+07
assign (resid 56 and name HB2) (resid 56 and name HA) 2.908 1.057 1.057 weight 1.000 ! spec=HCH, no=1503, id=4529, vol=2.120000e+07
assign (resid 56 and name HB1) (resid 56 and name HA) 3.037 1.153 1.153 weight 1.000 ! spec=HCH, no=1504, id=4530, vol=1.630000e+07
assign (resid 56 and name HB1) (resid 56 and name HB2) 2.389 0.713 0.713 weight 1.000 ! spec=HCH, no=1506, id=4532, vol=6.900000e+07
assign (resid 56 and name HB1) (resid 61 and name HB2) 3.247 1.318 1.318 weight 1.000 ! spec=HCH, no=1511, id=4536, vol=1.100000e+07
    or (resid 56 and name HB1) (resid 61 and name HB1)
    or (resid 56 and name HB1) (resid 61 and name HB3)
assign (resid 56 and name HB2) (resid 62 and name HN) 3.461 1.497 1.497 weight 1.000 ! spec=HCH, no=1512, id=4537, vol=7.460000e+06
assign (resid 56 and name HB1) (resid 62 and name HN) 3.554 1.579 1.579 weight 1.000 ! spec=HCH, no=1513, id=4538, vol=6.360000e+06
assign (resid 56 and name HB2) (resid 62 and name HA) 2.977 1.108 1.108 weight 1.000 ! spec=HCH, no=1514, id=4539, vol=1.840000e+07
assign (resid 56 and name HB2) (resid 63 and name HN) 3.888 1.889 1.889 weight 1.000 ! spec=HCH, no=1516, id=4541, vol=3.710000e+06
assign (resid 56 and name HB1) (resid 63 and name HN) 3.817 1.822 1.822 weight 1.000 ! spec=HCH, no=1517, id=4542, vol=4.140000e+06
assign (resid 57 and name HA) (resid 56 and name HB2) 3.257 1.326 1.326 weight 1.000 ! spec=HCH, no=1521, id=4546, vol=1.070000e+07
assign (resid 57 and name HA) (resid 58 and name HN) 3.143 1.235 1.235 weight 1.000 ! spec=HCH, no=1526, id=4550, vol=1.330000e+07
assign (resid 57 and name HA) (resid 61 and name HB2) 3.097 1.199 1.199 weight 1.000 ! spec=HCH, no=1530, id=4554, vol=1.450000e+07
    or (resid 57 and name HA) (resid 61 and name HB1)
    or (resid 57 and name HA) (resid 61 and name HB3)
assign (resid 57 and name HB) (resid 59 and name HN) 3.873 1.875 1.875 weight 1.000 ! spec=HCH, no=1533, id=4557, vol=3.800000e+06
assign (resid 57 and name HB) (resid 53 and name HD2) 3.621 1.639 1.639 weight 1.000 ! spec=HCH, no=1536, id=4560, vol=5.690000e+06
assign (resid 57 and name HA) (resid 57 and name HB) 2.456 0.754 0.754 weight 1.000 ! spec=HCH, no=1539, id=4563, vol=5.840000e+07
assign (resid 57 and name HB) (resid 58 and name HN) 3.059 1.170 1.170 weight 1.000 ! spec=HCH, no=1542, id=4565, vol=1.570000e+07
assign (resid 57 and name HG21) (resid 63 and name HN) 3.512 1.541 1.541 weight 1.000 ! spec=HCH, no=1545, id=4568, vol=6.840000e+06
    or (resid 57 and name HG22) (resid 63 and name HN)
    or (resid 57 and name HG23) (resid 63 and name HN)
assign (resid 57 and name HG21) (resid 53 and name HD2) 2.746 0.943 0.943 weight 1.000 ! spec=HCH, no=1547, id=4570, vol=2.990000e+07
    or (resid 57 and name HG22) (resid 53 and name HD2)
    or (resid 57 and name HG23) (resid 53 and name HD2)
assign (resid 57 and name HG21) (resid 62 and name HA) 2.663 0.887 0.887 weight 1.000 ! spec=HCH, no=1549, id=4572, vol=3.590000e+07
    or (resid 57 and name HG22) (resid 62 and name HA)
    or (resid 57 and name HG23) (resid 62 and name HA)
assign (resid 56 and name HN) (resid 57 and name HG21) 3.114 1.212 1.212 weight 1.000 ! spec=HCH, no=1550, id=4573, vol=1.410000e+07
    or (resid 56 and name HN) (resid 57 and name HG22)
    or (resid 56 and name HN) (resid 57 and name HG23)
assign (resid 56 and name HB1) (resid 57 and name HG21) 2.944 1.083 1.083 weight 1.000 ! spec=HCH, no=1554, id=4577, vol=1.970000e+07
    or (resid 56 and name HB1) (resid 57 and name HG22)
    or (resid 56 and name HB1) (resid 57 and name HG23)
assign (resid 57 and name HN) (resid 57 and name HG21) 2.227 0.620 0.620 weight 1.000 ! spec=HCH, no=1555, id=4578, vol=1.050000e+08
    or (resid 57 and name HN) (resid 57 and name HG22)
    or (resid 57 and name HN) (resid 57 and name HG23)
assign (resid 57 and name HA) (resid 57 and name HG21) 2.211 0.611 0.611 weight 1.000 ! spec=HCH, no=1557, id=4580, vol=1.100000e+08
    or (resid 57 and name HA) (resid 57 and name HG22)
    or (resid 57 and name HA) (resid 57 and name HG23)
assign (resid 57 and name HB) (resid 57 and name HG21) 2.066 0.534 0.534 weight 1.000 ! spec=HCH, no=1558, id=4581, vol=1.650000e+08
    or (resid 57 and name HB) (resid 57 and name HG22)
    or (resid 57 and name HB) (resid 57 and name HG23)
assign (resid 58 and name HN) (resid 57 and name HG21) 2.836 1.005 1.005 weight 1.000 ! spec=HCH, no=1559, id=4582, vol=2.470000e+07
    or (resid 58 and name HN) (resid 57 and name HG22)
    or (resid 58 and name HN) (resid 57 and name HG23)
assign (resid 57 and name HG21) (resid 61 and name HN) 3.126 1.221 1.221 weight 1.000 ! spec=HCH, no=1561, id=4584, vol=1.370000e+07
    or (resid 57 and name HG22) (resid 61 and name HN)
    or (resid 57 and name HG23) (resid 61 and name HN)
assign (resid 58 and name HA) (resid 58 and name HB2) 2.360 0.696 0.696 weight 1.000 ! spec=HCH, no=1564, id=4586, vol=7.420000e+07
assign (resid 58 and name HA) (resid 58 and name HB1) 2.422 0.733 0.733 weight 1.000 ! spec=HCH, no=1565, id=4587, vol=6.360000e+07
assign (resid 58 and name HA) (resid 59 and name HN) 2.935 1.077 1.077 weight 1.000 ! spec=HCH, no=1566, id=4588, vol=2.010000e+07
assign (resid 58 and name HB2) (resid 55 and name HA) 3.178 1.263 1.263 weight 1.000 ! spec=HCH, no=1570, id=4592, vol=1.240000e+07
assign (resid 58 and name HB2) (resid 57 and name HN) 4.010 2.010 2.010 weight 1.000 ! spec=HCH, no=1572, id=4594, vol=3.080000e+06
assign (resid 58 and name HB1) (resid 58 and name HB2) 2.094 0.548 0.548 weight 1.000 ! spec=HCH, no=1578, id=4600, vol=1.520000e+08
assign (resid 59 and name HB2) (resid 59 and name HA) 3.159 1.247 1.247 weight 1.000 ! spec=HCH, no=1588, id=4610, vol=1.290000e+07
assign (resid 59 and name HB1) (resid 59 and name HA) 2.996 1.122 1.122 weight 1.000 ! spec=HCH, no=1589, id=4611, vol=1.770000e+07
assign (resid 59 and name HB1) (resid 59 and name HB2) 2.434 0.741 0.741 weight 1.000 ! spec=HCH, no=1591, id=4612, vol=6.170000e+07
assign (resid 60 and name HA2) (resid 61 and name HA) 3.818 1.823 1.823 weight 1.000 ! spec=HCH, no=1594, id=4614, vol=4.140000e+06
assign (resid 60 and name HA2) (resid 57 and name HA) 3.602 1.622 1.622 weight 1.000 ! spec=HCH, no=1595, id=4615, vol=5.870000e+06
assign (resid 60 and name HA1) (resid 57 and name HA) 3.664 1.678 1.678 weight 1.000 ! spec=HCH, no=1596, id=4616, vol=5.300000e+06
assign (resid 60 and name HA1) (resid 61 and name HA) 3.691 1.703 1.703 weight 1.000 ! spec=HCH, no=1604, id=4623, vol=5.070000e+06
assign (resid 61 and name HA) (resid 29 and name HZ3) 3.531 1.559 1.559 weight 1.000 ! spec=HCH, no=1609, id=4628, vol=6.620000e+06
assign (resid 61 and name HA) (resid 153 and name HB1) 3.625 1.643 1.643 weight 1.000 ! spec=HCH, no=1613, id=4631, vol=5.650000e+06
assign (resid 61 and name HA) (resid 154 and name HN) 3.644 1.660 1.660 weight 1.000 ! spec=HCH, no=1614, id=4632, vol=5.480000e+06
assign (resid 61 and name HA) (resid 155 and name HA) 3.103 1.204 1.204 weight 1.000 ! spec=HCH, no=1615, id=4633, vol=1.440000e+07
assign (resid 61 and name HA) (resid 155 and name HB) 2.589 0.838 0.838 weight 1.000 ! spec=HCH, no=1616, id=4634, vol=4.250000e+07
assign (resid 61 and name HA) (resid 155 and name HG21) 2.986 1.114 1.114 weight 1.000 ! spec=HCH, no=1617, id=4635, vol=1.810000e+07
    or (resid 61 and name HA) (resid 155 and name HG22)
    or (resid 61 and name HA) (resid 155 and name HG23)
assign (resid 38 and name HD12) (resid 61 and name HB2) 3.554 1.579 1.579 weight 1.000 ! spec=HCH, no=1618, id=4636, vol=6.370000e+06
    or (resid 38 and name HD12) (resid 61 and name HB1)
    or (resid 38 and name HD12) (resid 61 and name HB3)
    or (resid 38 and name HD11) (resid 61 and name HB2)
    or (resid 38 and name HD11) (resid 61 and name HB1)
    or (resid 38 and name HD11) (resid 61 and name HB3)
    or (resid 38 and name HD13) (resid 61 and name HB2)
    or (resid 38 and name HD13) (resid 61 and name HB1)
    or (resid 38 and name HD13) (resid 61 and name HB3)
assign (resid 56 and name HB2) (resid 61 and name HB2) 2.772 0.961 0.961 weight 1.000 ! spec=HCH, no=1623, id=4641, vol=2.820000e+07
    or (resid 56 and name HB2) (resid 61 and name HB1)
    or (resid 56 and name HB2) (resid 61 and name HB3)
assign (resid 38 and name HG22) (resid 61 and name HB2) 2.963 1.097 1.097 weight 1.000 ! spec=HCH, no=1626, id=4644, vol=1.900000e+07
    or (resid 38 and name HG22) (resid 61 and name HB1)
    or (resid 38 and name HG22) (resid 61 and name HB3)
    or (resid 38 and name HG21) (resid 61 and name HB2)
    or (resid 38 and name HG21) (resid 61 and name HB1)
    or (resid 38 and name HG21) (resid 61 and name HB3)
    or (resid 38 and name HG23) (resid 61 and name HB2)
    or (resid 38 and name HG23) (resid 61 and name HB1)
    or (resid 38 and name HG23) (resid 61 and name HB3)
assign (resid 61 and name HB2) (resid 29 and name HE3) 3.672 1.686 1.686 weight 1.000 ! spec=HCH, no=1633, id=4651, vol=5.230000e+06
    or (resid 61 and name HB1) (resid 29 and name HE3)
    or (resid 61 and name HB3) (resid 29 and name HE3)
assign (resid 61 and name HB2) (resid 29 and name HZ2) 2.952 1.089 1.089 weight 1.000 ! spec=HCH, no=1634, id=4652, vol=1.940000e+07
    or (resid 61 and name HB1) (resid 29 and name HZ2)
    or (resid 61 and name HB3) (resid 29 and name HZ2)
assign (resid 61 and name HB2) (resid 40 and name HD12) 3.763 1.770 1.770 weight 1.000 ! spec=HCH, no=1636, id=4654, vol=4.520000e+06
    or (resid 61 and name HB2) (resid 40 and name HD11)
    or (resid 61 and name HB2) (resid 40 and name HD13)
    or (resid 61 and name HB1) (resid 40 and name HD12)
    or (resid 61 and name HB1) (resid 40 and name HD11)
    or (resid 61 and name HB1) (resid 40 and name HD13)
    or (resid 61 and name HB3) (resid 40 and name HD12)
    or (resid 61 and name HB3) (resid 40 and name HD11)
    or (resid 61 and name HB3) (resid 40 and name HD13)
assign (resid 61 and name HB2) (resid 40 and name HD22) 3.842 1.845 1.845 weight 1.000 ! spec=HCH, no=1637, id=4655, vol=3.990000e+06
    or (resid 61 and name HB2) (resid 40 and name HD21)
    or (resid 61 and name HB2) (resid 40 and name HD23)
    or (resid 61 and name HB1) (resid 40 and name HD22)
    or (resid 61 and name HB1) (resid 40 and name HD21)
    or (resid 61 and name HB1) (resid 40 and name HD23)
    or (resid 61 and name HB3) (resid 40 and name HD22)
    or (resid 61 and name HB3) (resid 40 and name HD21)
    or (resid 61 and name HB3) (resid 40 and name HD23)
assign (resid 61 and name HB2) (resid 56 and name HN) 3.631 1.648 1.648 weight 1.000 ! spec=HCH, no=1638, id=4656, vol=5.590000e+06
    or (resid 61 and name HB1) (resid 56 and name HN)
    or (resid 61 and name HB3) (resid 56 and name HN)
assign (resid 61 and name HA) (resid 61 and name HB2) 2.242 0.628 0.628 weight 1.000 ! spec=HCH, no=1640, id=4658, vol=1.010000e+08
    or (resid 61 and name HA) (resid 61 and name HB1)
    or (resid 61 and name HA) (resid 61 and name HB3)
assign (resid 61 and name HB2) (resid 61 and name HB1) 1.374 0.236 0.236 weight 1.000 ! spec=HCH, no=1641, id=4659, vol=1.910000e+09
    or (resid 61 and name HB2) (resid 61 and name HB3)
    or (resid 61 and name HB2) (resid 61 and name HB1)
    or (resid 61 and name HB1) (resid 61 and name HB3)
    or (resid 61 and name HB2) (resid 61 and name HB3)
    or (resid 61 and name HB1) (resid 61 and name HB3)
assign (resid 62 and name HN) (resid 61 and name HB2) 2.224 0.618 0.618 weight 1.000 ! spec=HCH, no=1642, id=4660, vol=1.060000e+08
    or (resid 62 and name HN) (resid 61 and name HB1)
    or (resid 62 and name HN) (resid 61 and name HB3)
assign (resid 61 and name HB2) (resid 153 and name HA) 3.080 1.185 1.185 weight 1.000 ! spec=HCH, no=1643, id=4661, vol=1.500000e+07
    or (resid 61 and name HB1) (resid 153 and name HA)
    or (resid 61 and name HB3) (resid 153 and name HA)
assign (resid 61 and name HB2) (resid 153 and name HB2) 2.636 0.869 0.869 weight 1.000 ! spec=HCH, no=1644, id=4662, vol=3.820000e+07
    or (resid 61 and name HB1) (resid 153 and name HB2)
    or (resid 61 and name HB3) (resid 153 and name HB2)
assign (resid 61 and name HB2) (resid 153 and name HB1) 2.366 0.700 0.700 weight 1.000 ! spec=HCH, no=1645, id=4663, vol=7.310000e+07
    or (resid 61 and name HB1) (resid 153 and name HB1)
    or (resid 61 and name HB3) (resid 153 and name HB1)
assign (resid 61 and name HB2) (resid 154 and name HA) 3.530 1.558 1.558 weight 1.000 ! spec=HCH, no=1646, id=4664, vol=6.620000e+06
    or (resid 61 and name HB1) (resid 154 and name HA)
    or (resid 61 and name HB3) (resid 154 and name HA)
assign (resid 61 and name HB2) (resid 155 and name HA) 2.812 0.988 0.988 weight 1.000 ! spec=HCH, no=1647, id=4665, vol=2.600000e+07
    or (resid 61 and name HB1) (resid 155 and name HA)
    or (resid 61 and name HB3) (resid 155 and name HA)
assign (resid 61 and name HB2) (resid 155 and name HB) 2.515 0.790 0.790 weight 1.000 ! spec=HCH, no=1648, id=4666, vol=5.070000e+07
    or (resid 61 and name HB1) (resid 155 and name HB)
    or (resid 61 and name HB3) (resid 155 and name HB)
assign (resid 62 and name HA) (resid 61 and name HB2) 3.097 1.199 1.199 weight 1.000 ! spec=HCH, no=1653, id=4671, vol=1.450000e+07
    or (resid 62 and name HA) (resid 61 and name HB1)
    or (resid 62 and name HA) (resid 61 and name HB3)
assign (resid 56 and name HB1) (resid 62 and name HA) 2.743 0.941 0.941 weight 1.000 ! spec=HCH, no=1654, id=4672, vol=3.010000e+07
assign (resid 62 and name HN) (resid 62 and name HA) 2.757 0.950 0.950 weight 1.000 ! spec=HCH, no=1657, id=4675, vol=2.920000e+07
assign (resid 62 and name HA) (resid 62 and name HB1) 2.770 0.959 0.959 weight 1.000 ! spec=HCH, no=1659, id=4676, vol=2.840000e+07
assign (resid 62 and name HB1) (resid 62 and name HB2) 2.284 0.652 0.652 weight 1.000 ! spec=HCH, no=1667, id=4680, vol=9.030000e+07
assign (resid 63 and name HA) (resid 63 and name HG2) 2.565 0.822 0.822 weight 1.000 ! spec=HCH, no=1673, id=4683, vol=4.500000e+07
assign (resid 63 and name HA) (resid 153 and name HA) 2.795 0.976 0.976 weight 1.000 ! spec=HCH, no=1674, id=4684, vol=2.690000e+07
assign (resid 63 and name HB1) (resid 63 and name HE2) 3.067 1.176 1.176 weight 1.000 ! spec=HCH, no=1680, id=4690, vol=1.540000e+07
    or (resid 63 and name HB1) (resid 63 and name HE1)
    or (resid 63 and name HB1) (resid 63 and name HE3)
assign (resid 52 and name HG22) (resid 63 and name HB1) 3.552 1.577 1.577 weight 1.000 ! spec=HCH, no=1684, id=4694, vol=6.380000e+06
    or (resid 52 and name HG21) (resid 63 and name HB1)
    or (resid 52 and name HG23) (resid 63 and name HB1)
assign (resid 63 and name HN) (resid 63 and name HB1) 3.369 1.419 1.419 weight 1.000 ! spec=HCH, no=1686, id=4696, vol=8.770000e+06
assign (resid 63 and name HB2) (resid 63 and name HA) 3.229 1.303 1.303 weight 1.000 ! spec=HCH, no=1687, id=4697, vol=1.130000e+07
assign (resid 63 and name HB1) (resid 63 and name HA) 3.180 1.264 1.264 weight 1.000 ! spec=HCH, no=1688, id=4698, vol=1.240000e+07
assign (resid 63 and name HB1) (resid 63 and name HB2) 2.453 0.752 0.752 weight 1.000 ! spec=HCH, no=1690, id=4700, vol=5.880000e+07
assign (resid 63 and name HB1) (resid 92 and name HA2) 3.346 1.399 1.399 weight 1.000 ! spec=HCH, no=1694, id=4703, vol=9.140000e+06
assign (resid 63 and name HB1) (resid 105 and name HD1) 3.681 1.694 1.694 weight 1.000 ! spec=HCH, no=1698, id=4707, vol=5.150000e+06
assign (resid 91 and name HN) (resid 63 and name HE2) 3.165 1.252 1.252 weight 1.000 ! spec=HCH, no=1699, id=4708, vol=1.280000e+07
    or (resid 91 and name HN) (resid 63 and name HE1)
    or (resid 91 and name HN) (resid 63 and name HE3)
assign (resid 63 and name HE2) (resid 90 and name HB2) 2.181 0.595 0.595 weight 1.000 ! spec=HCH, no=1710, id=4718, vol=1.190000e+08
    or (resid 63 and name HE1) (resid 90 and name HB2)
    or (resid 63 and name HE3) (resid 90 and name HB2)
assign (resid 63 and name HE2) (resid 49 and name HD12) 2.113 0.558 0.558 weight 1.000 ! spec=HCH, no=1715, id=4723, vol=1.440000e+08
    or (resid 63 and name HE2) (resid 49 and name HD11)
    or (resid 63 and name HE2) (resid 49 and name HD13)
    or (resid 63 and name HE1) (resid 49 and name HD12)
    or (resid 63 and name HE1) (resid 49 and name HD11)
    or (resid 63 and name HE1) (resid 49 and name HD13)
    or (resid 63 and name HE3) (resid 49 and name HD12)
    or (resid 63 and name HE3) (resid 49 and name HD11)
    or (resid 63 and name HE3) (resid 49 and name HD13)
assign (resid 63 and name HE2) (resid 63 and name HE1) 1.176 0.173 0.173 weight 1.000 ! spec=HCH, no=1721, id=4729, vol=4.850000e+09
    or (resid 63 and name HE2) (resid 63 and name HE3)
    or (resid 63 and name HE2) (resid 63 and name HE1)
    or (resid 63 and name HE1) (resid 63 and name HE3)
    or (resid 63 and name HE2) (resid 63 and name HE3)
    or (resid 63 and name HE1) (resid 63 and name HE3)
assign (resid 63 and name HE2) (resid 90 and name HD12) 2.257 0.637 0.637 weight 1.000 ! spec=HCH, no=1724, id=4732, vol=9.690000e+07
    or (resid 63 and name HE2) (resid 90 and name HD11)
    or (resid 63 and name HE2) (resid 90 and name HD13)
    or (resid 63 and name HE1) (resid 90 and name HD12)
    or (resid 63 and name HE1) (resid 90 and name HD11)
    or (resid 63 and name HE1) (resid 90 and name HD13)
    or (resid 63 and name HE3) (resid 90 and name HD12)
    or (resid 63 and name HE3) (resid 90 and name HD11)
    or (resid 63 and name HE3) (resid 90 and name HD13)
assign (resid 63 and name HE2) (resid 90 and name HD22) 2.157 0.582 0.582 weight 1.000 ! spec=HCH, no=1725, id=4733, vol=1.270000e+08
    or (resid 63 and name HE2) (resid 90 and name HD21)
    or (resid 63 and name HE2) (resid 90 and name HD23)
    or (resid 63 and name HE1) (resid 90 and name HD22)
    or (resid 63 and name HE1) (resid 90 and name HD21)
    or (resid 63 and name HE1) (resid 90 and name HD23)
    or (resid 63 and name HE3) (resid 90 and name HD22)
    or (resid 63 and name HE3) (resid 90 and name HD21)
    or (resid 63 and name HE3) (resid 90 and name HD23)
assign (resid 63 and name HE2) (resid 91 and name HA) 2.868 1.028 1.028 weight 1.000 ! spec=HCH, no=1726, id=4734, vol=2.310000e+07
    or (resid 63 and name HE1) (resid 91 and name HA)
    or (resid 63 and name HE3) (resid 91 and name HA)
assign (resid 63 and name HE2) (resid 92 and name HA2) 2.518 0.793 0.793 weight 1.000 ! spec=HCH, no=1727, id=4735, vol=5.030000e+07
    or (resid 63 and name HE1) (resid 92 and name HA2)
    or (resid 63 and name HE3) (resid 92 and name HA2)
assign (resid 63 and name HE2) (resid 92 and name HA1) 2.373 0.704 0.704 weight 1.000 ! spec=HCH, no=1728, id=4736, vol=7.190000e+07
    or (resid 63 and name HE1) (resid 92 and name HA1)
    or (resid 63 and name HE3) (resid 92 and name HA1)
assign (resid 63 and name HE2) (resid 105 and name HD1) 2.958 1.093 1.093 weight 1.000 ! spec=HCH, no=1729, id=4737, vol=1.920000e+07
    or (resid 63 and name HE1) (resid 105 and name HD1)
    or (resid 63 and name HE3) (resid 105 and name HD1)
assign (resid 63 and name HE2) (resid 63 and name HG2) 2.744 0.941 0.941 weight 1.000 ! spec=HCH, no=1730, id=4738, vol=3.000000e+07
    or (resid 63 and name HE1) (resid 63 and name HG2)
    or (resid 63 and name HE3) (resid 63 and name HG2)
assign (resid 56 and name HB1) (resid 63 and name HG1) 3.586 1.607 1.607 weight 1.000 ! spec=HCH, no=1735, id=4743, vol=6.030000e+06
assign (resid 63 and name HG1) (resid 63 and name HA) 3.742 1.750 1.750 weight 1.000 ! spec=HCH, no=1737, id=4745, vol=4.670000e+06
assign (resid 63 and name HG1) (resid 63 and name HB2) 3.480 1.514 1.514 weight 1.000 ! spec=HCH, no=1738, id=4746, vol=7.220000e+06
assign (resid 63 and name HG1) (resid 55 and name HN) 3.691 1.703 1.703 weight 1.000 ! spec=HCH, no=1741, id=4749, vol=5.070000e+06
assign (resid 63 and name HG1) (resid 63 and name HE2) 3.648 1.663 1.663 weight 1.000 ! spec=HCH, no=1743, id=4751, vol=5.440000e+06
    or (resid 63 and name HG1) (resid 63 and name HE1)
    or (resid 63 and name HG1) (resid 63 and name HE3)
assign (resid 63 and name HG1) (resid 53 and name HB2) 2.906 1.055 1.055 weight 1.000 ! spec=HCH, no=1745, id=4753, vol=2.130000e+07
assign (resid 63 and name HG1) (resid 62 and name HB1) 3.985 1.985 1.985 weight 1.000 ! spec=HCH, no=1746, id=4754, vol=3.200000e+06
assign (resid 63 and name HG2) (resid 63 and name HN) 3.031 1.148 1.148 weight 1.000 ! spec=HCH, no=1747, id=4755, vol=1.650000e+07
assign (resid 63 and name HG2) (resid 63 and name HB2) 2.826 0.999 0.999 weight 1.000 ! spec=HCH, no=1750, id=4758, vol=2.520000e+07
assign (resid 63 and name HG2) (resid 63 and name HG1) 2.575 0.829 0.829 weight 1.000 ! spec=HCH, no=1752, id=4759, vol=4.400000e+07
assign (resid 64 and name HN) (resid 63 and name HG2) 3.078 1.184 1.184 weight 1.000 ! spec=HCH, no=1754, id=4760, vol=1.510000e+07
assign (resid 63 and name HG2) (resid 64 and name HG22) 3.004 1.128 1.128 weight 1.000 ! spec=HCH, no=1756, id=4762, vol=1.740000e+07
    or (resid 63 and name HG2) (resid 64 and name HG21)
    or (resid 63 and name HG2) (resid 64 and name HG23)
assign (resid 63 and name HG2) (resid 92 and name HA1) 3.329 1.385 1.385 weight 1.000 ! spec=HCH, no=1757, id=4763, vol=9.420000e+06
assign (resid 63 and name HG1) (resid 92 and name HA1) 3.973 1.973 1.973 weight 1.000 ! spec=HCH, no=1758, id=4764, vol=3.260000e+06
assign (resid 63 and name HG1) (resid 151 and name HG21) 3.358 1.410 1.410 weight 1.000 ! spec=HCH, no=1759, id=4765, vol=8.940000e+06
    or (resid 63 and name HG1) (resid 151 and name HG22)
    or (resid 63 and name HG1) (resid 151 and name HG23)
assign (resid 64 and name HA) (resid 64 and name HG12) 2.963 1.097 1.097 weight 1.000 ! spec=HCH, no=1760, id=4766, vol=1.900000e+07
assign (resid 64 and name HA) (resid 154 and name HB2) 2.946 1.085 1.085 weight 1.000 ! spec=HCH, no=1761, id=4767, vol=1.960000e+07
assign (resid 64 and name HA) (resid 154 and name HG2) 3.392 1.439 1.439 weight 1.000 ! spec=HCH, no=1765, id=4771, vol=8.410000e+06
assign (resid 64 and name HA) (resid 64 and name HB) 2.394 0.716 0.716 weight 1.000 ! spec=HCH, no=1766, id=4772, vol=6.820000e+07
assign (resid 64 and name HB) (resid 152 and name HG) 2.953 1.090 1.090 weight 1.000 ! spec=HCH, no=1768, id=4774, vol=1.940000e+07
assign (resid 64 and name HB) (resid 152 and name HD22) 3.191 1.273 1.273 weight 1.000 ! spec=HCH, no=1769, id=4775, vol=1.210000e+07
    or (resid 64 and name HB) (resid 152 and name HD21)
    or (resid 64 and name HB) (resid 152 and name HD23)
assign (resid 64 and name HB) (resid 63 and name HA) 3.758 1.765 1.765 weight 1.000 ! spec=HCH, no=1771, id=4777, vol=4.550000e+06
assign (resid 64 and name HB) (resid 64 and name HG11) 2.849 1.014 1.014 weight 1.000 ! spec=HCH, no=1776, id=4781, vol=2.400000e+07
assign (resid 65 and name HN) (resid 64 and name HB) 3.319 1.377 1.377 weight 1.000 ! spec=HCH, no=1777, id=4782, vol=9.600000e+06
assign (resid 64 and name HD12) (resid 130 and name HA) 3.972 1.972 1.972 weight 1.000 ! spec=HCH, no=1780, id=4785, vol=3.260000e+06
    or (resid 64 and name HD11) (resid 130 and name HA)
    or (resid 64 and name HD13) (resid 130 and name HA)
assign (resid 64 and name HD12) (resid 152 and name HA) 3.855 1.858 1.858 weight 1.000 ! spec=HCH, no=1781, id=4786, vol=3.910000e+06
    or (resid 64 and name HD11) (resid 152 and name HA)
    or (resid 64 and name HD13) (resid 152 and name HA)
assign (resid 64 and name HD12) (resid 71 and name HB2) 3.885 1.887 1.887 weight 1.000 ! spec=HCH, no=1783, id=4788, vol=3.730000e+06
    or (resid 64 and name HD12) (resid 71 and name HB1)
    or (resid 64 and name HD11) (resid 71 and name HB2)
    or (resid 64 and name HD11) (resid 71 and name HB1)
    or (resid 64 and name HD13) (resid 71 and name HB2)
    or (resid 64 and name HD13) (resid 71 and name HB1)
assign (resid 64 and name HD12) (resid 74 and name HB1) 3.861 1.863 1.863 weight 1.000 ! spec=HCH, no=1784, id=4789, vol=3.870000e+06
    or (resid 64 and name HD11) (resid 74 and name HB1)
    or (resid 64 and name HD13) (resid 74 and name HB1)
assign (resid 64 and name HD12) (resid 64 and name HB) 2.181 0.595 0.595 weight 1.000 ! spec=HCH, no=1787, id=4792, vol=1.190000e+08
    or (resid 64 and name HD11) (resid 64 and name HB)
    or (resid 64 and name HD13) (resid 64 and name HB)
assign (resid 64 and name HD12) (resid 75 and name HG11) 2.481 0.769 0.769 weight 1.000 ! spec=HCH, no=1788, id=4793, vol=5.500000e+07
    or (resid 64 and name HD11) (resid 75 and name HG11)
    or (resid 64 and name HD13) (resid 75 and name HG11)
assign (resid 64 and name HD12) (resid 91 and name HD12) 2.538 0.805 0.805 weight 1.000 ! spec=HCH, no=1789, id=4794, vol=4.800000e+07
    or (resid 64 and name HD12) (resid 91 and name HD11)
    or (resid 64 and name HD12) (resid 91 and name HD13)
    or (resid 64 and name HD11) (resid 91 and name HD12)
    or (resid 64 and name HD11) (resid 91 and name HD11)
    or (resid 64 and name HD11) (resid 91 and name HD13)
    or (resid 64 and name HD13) (resid 91 and name HD12)
    or (resid 64 and name HD13) (resid 91 and name HD11)
    or (resid 64 and name HD13) (resid 91 and name HD13)
assign (resid 64 and name HD12) (resid 91 and name HA) 3.313 1.372 1.372 weight 1.000 ! spec=HCH, no=1799, id=4804, vol=9.690000e+06
    or (resid 64 and name HD11) (resid 91 and name HA)
    or (resid 64 and name HD13) (resid 91 and name HA)
assign (resid 64 and name HD12) (resid 75 and name HN) 3.739 1.747 1.747 weight 1.000 ! spec=HCH, no=1800, id=4805, vol=4.690000e+06
    or (resid 64 and name HD11) (resid 75 and name HN)
    or (resid 64 and name HD13) (resid 75 and name HN)
assign (resid 64 and name HD12) (resid 75 and name HD12) 2.075 0.538 0.538 weight 1.000 ! spec=HCH, no=1803, id=4808, vol=1.610000e+08
    or (resid 64 and name HD12) (resid 75 and name HD11)
    or (resid 64 and name HD12) (resid 75 and name HD13)
    or (resid 64 and name HD11) (resid 75 and name HD12)
    or (resid 64 and name HD11) (resid 75 and name HD11)
    or (resid 64 and name HD11) (resid 75 and name HD13)
    or (resid 64 and name HD13) (resid 75 and name HD12)
    or (resid 64 and name HD13) (resid 75 and name HD11)
    or (resid 64 and name HD13) (resid 75 and name HD13)
assign (resid 64 and name HD12) (resid 65 and name HA) 3.774 1.781 1.781 weight 1.000 ! spec=HCH, no=1804, id=4809, vol=4.440000e+06
    or (resid 64 and name HD11) (resid 65 and name HA)
    or (resid 64 and name HD13) (resid 65 and name HA)
assign (resid 64 and name HD12) (resid 75 and name HB) 3.374 1.423 1.423 weight 1.000 ! spec=HCH, no=1805, id=4810, vol=8.700000e+06
    or (resid 64 and name HD11) (resid 75 and name HB)
    or (resid 64 and name HD13) (resid 75 and name HB)
assign (resid 64 and name HD12) (resid 74 and name HD1) 3.839 1.842 1.842 weight 1.000 ! spec=HCH, no=1806, id=4811, vol=4.010000e+06
    or (resid 64 and name HD12) (resid 74 and name HD2)
    or (resid 64 and name HD11) (resid 74 and name HD1)
    or (resid 64 and name HD11) (resid 74 and name HD2)
    or (resid 64 and name HD13) (resid 74 and name HD1)
    or (resid 64 and name HD13) (resid 74 and name HD2)
assign (resid 64 and name HD12) (resid 64 and name HD11) 1.361 0.231 0.231 weight 1.000 ! spec=HCH, no=1810, id=4815, vol=2.020000e+09
    or (resid 64 and name HD12) (resid 64 and name HD13)
    or (resid 64 and name HD12) (resid 64 and name HD11)
    or (resid 64 and name HD11) (resid 64 and name HD13)
    or (resid 64 and name HD12) (resid 64 and name HD13)
    or (resid 64 and name HD11) (resid 64 and name HD13)
assign (resid 64 and name HD12) (resid 91 and name HD22) 3.582 1.604 1.604 weight 1.000 ! spec=HCH, no=1813, id=4818, vol=6.070000e+06
    or (resid 64 and name HD12) (resid 91 and name HD21)
    or (resid 64 and name HD12) (resid 91 and name HD23)
    or (resid 64 and name HD11) (resid 91 and name HD22)
    or (resid 64 and name HD11) (resid 91 and name HD21)
    or (resid 64 and name HD11) (resid 91 and name HD23)
    or (resid 64 and name HD13) (resid 91 and name HD22)
    or (resid 64 and name HD13) (resid 91 and name HD21)
    or (resid 64 and name HD13) (resid 91 and name HD23)
assign (resid 64 and name HG12) (resid 91 and name HD12) 3.236 1.309 1.309 weight 1.000 ! spec=HCH, no=1817, id=4821, vol=1.120000e+07
    or (resid 64 and name HG12) (resid 91 and name HD11)
    or (resid 64 and name HG12) (resid 91 and name HD13)
assign (resid 64 and name HG12) (resid 64 and name HN) 3.274 1.340 1.340 weight 1.000 ! spec=HCH, no=1822, id=4826, vol=1.040000e+07
assign (resid 64 and name HN) (resid 64 and name HG11) 3.204 1.284 1.284 weight 1.000 ! spec=HCH, no=1823, id=4827, vol=1.180000e+07
assign (resid 64 and name HB) (resid 64 and name HG12) 2.538 0.805 0.805 weight 1.000 ! spec=HCH, no=1825, id=4829, vol=4.800000e+07
assign (resid 64 and name HG12) (resid 65 and name HN) 3.443 1.482 1.482 weight 1.000 ! spec=HCH, no=1826, id=4830, vol=7.690000e+06
assign (resid 64 and name HG11) (resid 65 and name HN) 3.454 1.491 1.491 weight 1.000 ! spec=HCH, no=1827, id=4831, vol=7.550000e+06
assign (resid 64 and name HG22) (resid 152 and name HA) 3.416 1.459 1.459 weight 1.000 ! spec=HCH, no=1834, id=4838, vol=8.070000e+06
    or (resid 64 and name HG21) (resid 152 and name HA)
    or (resid 64 and name HG23) (resid 152 and name HA)
assign (resid 64 and name HG22) (resid 91 and name HA) 2.410 0.726 0.726 weight 1.000 ! spec=HCH, no=1837, id=4841, vol=6.550000e+07
    or (resid 64 and name HG21) (resid 91 and name HA)
    or (resid 64 and name HG23) (resid 91 and name HA)
assign (resid 64 and name HG22) (resid 151 and name HB) 3.511 1.541 1.541 weight 1.000 ! spec=HCH, no=1838, id=4842, vol=6.840000e+06
    or (resid 64 and name HG21) (resid 151 and name HB)
    or (resid 64 and name HG23) (resid 151 and name HB)
assign (resid 64 and name HG22) (resid 152 and name HN) 3.139 1.232 1.232 weight 1.000 ! spec=HCH, no=1846, id=4850, vol=1.340000e+07
    or (resid 64 and name HG21) (resid 152 and name HN)
    or (resid 64 and name HG23) (resid 152 and name HN)
assign (resid 64 and name HG22) (resid 153 and name HA) 3.182 1.266 1.266 weight 1.000 ! spec=HCH, no=1847, id=4851, vol=1.230000e+07
    or (resid 64 and name HG21) (resid 153 and name HA)
    or (resid 64 and name HG23) (resid 153 and name HA)
assign (resid 64 and name HG22) (resid 63 and name HA) 2.969 1.102 1.102 weight 1.000 ! spec=HCH, no=1855, id=4857, vol=1.870000e+07
    or (resid 64 and name HG21) (resid 63 and name HA)
    or (resid 64 and name HG23) (resid 63 and name HA)
assign (resid 63 and name HE2) (resid 64 and name HG22) 3.125 1.221 1.221 weight 1.000 ! spec=HCH, no=1857, id=4859, vol=1.380000e+07
    or (resid 63 and name HE2) (resid 64 and name HG21)
    or (resid 63 and name HE2) (resid 64 and name HG23)
    or (resid 63 and name HE1) (resid 64 and name HG22)
    or (resid 63 and name HE1) (resid 64 and name HG21)
    or (resid 63 and name HE1) (resid 64 and name HG23)
    or (resid 63 and name HE3) (resid 64 and name HG22)
    or (resid 63 and name HE3) (resid 64 and name HG21)
    or (resid 63 and name HE3) (resid 64 and name HG23)
assign (resid 64 and name HN) (resid 64 and name HG22) 2.211 0.611 0.611 weight 1.000 ! spec=HCH, no=1858, id=4860, vol=1.100000e+08
    or (resid 64 and name HN) (resid 64 and name HG21)
    or (resid 64 and name HN) (resid 64 and name HG23)
assign (resid 64 and name HG22) (resid 64 and name HA) 2.629 0.864 0.864 weight 1.000 ! spec=HCH, no=1859, id=4861, vol=3.880000e+07
    or (resid 64 and name HG21) (resid 64 and name HA)
    or (resid 64 and name HG23) (resid 64 and name HA)
assign (resid 64 and name HG22) (resid 64 and name HG12) 2.229 0.621 0.621 weight 1.000 ! spec=HCH, no=1860, id=4862, vol=1.050000e+08
    or (resid 64 and name HG21) (resid 64 and name HG12)
    or (resid 64 and name HG23) (resid 64 and name HG12)
assign (resid 64 and name HG22) (resid 64 and name HG21) 1.363 0.232 0.232 weight 1.000 ! spec=HCH, no=1862, id=4864, vol=2.000000e+09
    or (resid 64 and name HG22) (resid 64 and name HG23)
    or (resid 64 and name HG22) (resid 64 and name HG21)
    or (resid 64 and name HG21) (resid 64 and name HG23)
    or (resid 64 and name HG22) (resid 64 and name HG23)
    or (resid 64 and name HG21) (resid 64 and name HG23)
assign (resid 64 and name HG22) (resid 65 and name HN) 3.061 1.172 1.172 weight 1.000 ! spec=HCH, no=1863, id=4865, vol=1.560000e+07
    or (resid 64 and name HG21) (resid 65 and name HN)
    or (resid 64 and name HG23) (resid 65 and name HN)
assign (resid 64 and name HG22) (resid 65 and name HA) 3.492 1.524 1.524 weight 1.000 ! spec=HCH, no=1864, id=4866, vol=7.070000e+06
    or (resid 64 and name HG21) (resid 65 and name HA)
    or (resid 64 and name HG23) (resid 65 and name HA)
assign (resid 64 and name HG22) (resid 92 and name HA1) 3.456 1.493 1.493 weight 1.000 ! spec=HCH, no=1865, id=4867, vol=7.520000e+06
    or (resid 64 and name HG21) (resid 92 and name HA1)
    or (resid 64 and name HG23) (resid 92 and name HA1)
assign (resid 65 and name HA) (resid 91 and name HA) 3.703 1.714 1.714 weight 1.000 ! spec=HCH, no=1866, id=4868, vol=4.970000e+06
assign (resid 65 and name HA) (resid 104 and name HA) 3.786 1.792 1.792 weight 1.000 ! spec=HCH, no=1869, id=4871, vol=4.360000e+06
assign (resid 65 and name HA) (resid 64 and name HG12) 3.174 1.259 1.259 weight 1.000 ! spec=HCH, no=1871, id=4872, vol=1.250000e+07
assign (resid 65 and name HA) (resid 67 and name HD2) 3.891 1.892 1.892 weight 1.000 ! spec=HCH, no=1874, id=4875, vol=3.700000e+06
assign (resid 65 and name HA) (resid 104 and name HZ3) 3.213 1.291 1.291 weight 1.000 ! spec=HCH, no=1876, id=4877, vol=1.170000e+07
assign (resid 65 and name HN) (resid 65 and name HA) 3.197 1.278 1.278 weight 1.000 ! spec=HCH, no=1877, id=4878, vol=1.200000e+07
assign (resid 65 and name HA) (resid 65 and name HB2) 3.051 1.164 1.164 weight 1.000 ! spec=HCH, no=1878, id=4879, vol=1.590000e+07
assign (resid 65 and name HA) (resid 65 and name HB1) 2.745 0.942 0.942 weight 1.000 ! spec=HCH, no=1879, id=4880, vol=3.000000e+07
assign (resid 65 and name HA) (resid 66 and name HG12) 3.664 1.678 1.678 weight 1.000 ! spec=HCH, no=1881, id=4882, vol=5.300000e+06
assign (resid 65 and name HA) (resid 66 and name HD12) 3.613 1.631 1.631 weight 1.000 ! spec=HCH, no=1882, id=4883, vol=5.770000e+06
    or (resid 65 and name HA) (resid 66 and name HD11)
    or (resid 65 and name HA) (resid 66 and name HD13)
assign (resid 65 and name HB2) (resid 104 and name HB1) 3.776 1.782 1.782 weight 1.000 ! spec=HCH, no=1887, id=4888, vol=4.420000e+06
assign (resid 65 and name HB1) (resid 104 and name HE3) 3.977 1.977 1.977 weight 1.000 ! spec=HCH, no=1889, id=4890, vol=3.240000e+06
assign (resid 65 and name HB1) (resid 104 and name HB1) 3.777 1.783 1.783 weight 1.000 ! spec=HCH, no=1890, id=4891, vol=4.420000e+06
assign (resid 65 and name HB1) (resid 65 and name HN) 3.706 1.716 1.716 weight 1.000 ! spec=HCH, no=1892, id=4893, vol=4.950000e+06
assign (resid 65 and name HB1) (resid 65 and name HB2) 2.712 0.920 0.920 weight 1.000 ! spec=HCH, no=1896, id=4897, vol=3.220000e+07
assign (resid 65 and name HB1) (resid 66 and name HN) 3.260 1.328 1.328 weight 1.000 ! spec=HCH, no=1899, id=4899, vol=1.070000e+07
assign (resid 65 and name HB1) (resid 67 and name HD2) 4.024 2.024 2.024 weight 1.000 ! spec=HCH, no=1901, id=4901, vol=3.020000e+06
assign (resid 66 and name HA) (resid 66 and name HB) 3.106 1.206 1.206 weight 1.000 ! spec=HCH, no=1903, id=4903, vol=1.430000e+07
assign (resid 66 and name HA) (resid 66 and name HG12) 2.986 1.114 1.114 weight 1.000 ! spec=HCH, no=1905, id=4905, vol=1.810000e+07
assign (resid 66 and name HA) (resid 154 and name HD2) 3.387 1.434 1.434 weight 1.000 ! spec=HCH, no=1906, id=4906, vol=8.490000e+06
    or (resid 66 and name HA) (resid 154 and name HD1)
assign (resid 66 and name HA) (resid 71 and name HB2) 3.362 1.413 1.413 weight 1.000 ! spec=HCH, no=1908, id=4908, vol=8.880000e+06
    or (resid 66 and name HA) (resid 71 and name HB1)
assign (resid 66 and name HA) (resid 66 and name HG11) 3.015 1.136 1.136 weight 1.000 ! spec=HCH, no=1911, id=4911, vol=1.710000e+07
assign (resid 66 and name HA) (resid 66 and name HG22) 2.738 0.937 0.937 weight 1.000 ! spec=HCH, no=1913, id=4913, vol=3.040000e+07
    or (resid 66 and name HA) (resid 66 and name HG21)
    or (resid 66 and name HA) (resid 66 and name HG23)
assign (resid 66 and name HB) (resid 66 and name HG12) 2.912 1.060 1.060 weight 1.000 ! spec=HCH, no=1917, id=4917, vol=2.100000e+07
assign (resid 66 and name HB) (resid 66 and name HG11) 3.012 1.134 1.134 weight 1.000 ! spec=HCH, no=1922, id=4921, vol=1.720000e+07
assign (resid 66 and name HB) (resid 104 and name HH2) 3.497 1.528 1.528 weight 1.000 ! spec=HCH, no=1925, id=4924, vol=7.010000e+06
assign (resid 66 and name HD12) (resid 66 and name HG11) 2.010 0.505 0.505 weight 1.000 ! spec=HCH, no=1939, id=4938, vol=1.940000e+08
    or (resid 66 and name HD11) (resid 66 and name HG11)
    or (resid 66 and name HD13) (resid 66 and name HG11)
assign (resid 66 and name HD12) (resid 104 and name HZ2) 3.316 1.374 1.374 weight 1.000 ! spec=HCH, no=1940, id=4939, vol=9.650000e+06
    or (resid 66 and name HD11) (resid 104 and name HZ2)
    or (resid 66 and name HD13) (resid 104 and name HZ2)
assign (resid 66 and name HD12) (resid 65 and name HN) 4.045 2.045 2.045 weight 1.000 ! spec=HCH, no=1944, id=4943, vol=2.930000e+06
    or (resid 66 and name HD11) (resid 65 and name HN)
    or (resid 66 and name HD13) (resid 65 and name HN)
assign (resid 66 and name HA) (resid 66 and name HD12) 2.897 1.049 1.049 weight 1.000 ! spec=HCH, no=1947, id=4946, vol=2.170000e+07
    or (resid 66 and name HA) (resid 66 and name HD11)
    or (resid 66 and name HA) (resid 66 and name HD13)
assign (resid 66 and name HB) (resid 66 and name HD12) 2.417 0.730 0.730 weight 1.000 ! spec=HCH, no=1948, id=4947, vol=6.440000e+07
    or (resid 66 and name HB) (resid 66 and name HD11)
    or (resid 66 and name HB) (resid 66 and name HD13)
assign (resid 66 and name HD12) (resid 66 and name HG12) 1.937 0.469 0.469 weight 1.000 ! spec=HCH, no=1949, id=4948, vol=2.430000e+08
    or (resid 66 and name HD11) (resid 66 and name HG12)
    or (resid 66 and name HD13) (resid 66 and name HG12)
assign (resid 66 and name HD12) (resid 66 and name HD11) 1.413 0.249 0.249 weight 1.000 ! spec=HCH, no=1950, id=4949, vol=1.610000e+09
    or (resid 66 and name HD12) (resid 66 and name HD13)
    or (resid 66 and name HD12) (resid 66 and name HD11)
    or (resid 66 and name HD11) (resid 66 and name HD13)
    or (resid 66 and name HD12) (resid 66 and name HD13)
    or (resid 66 and name HD11) (resid 66 and name HD13)
assign (resid 66 and name HD12) (resid 66 and name HG22) 2.109 0.556 0.556 weight 1.000 ! spec=HCH, no=1951, id=4950, vol=1.460000e+08
    or (resid 66 and name HD12) (resid 66 and name HG21)
    or (resid 66 and name HD12) (resid 66 and name HG23)
    or (resid 66 and name HD11) (resid 66 and name HG22)
    or (resid 66 and name HD11) (resid 66 and name HG21)
    or (resid 66 and name HD11) (resid 66 and name HG23)
    or (resid 66 and name HD13) (resid 66 and name HG22)
    or (resid 66 and name HD13) (resid 66 and name HG21)
    or (resid 66 and name HD13) (resid 66 and name HG23)
assign (resid 66 and name HD12) (resid 71 and name HG1) 3.297 1.359 1.359 weight 1.000 ! spec=HCH, no=1953, id=4952, vol=9.980000e+06
    or (resid 66 and name HD11) (resid 71 and name HG1)
    or (resid 66 and name HD13) (resid 71 and name HG1)
assign (resid 66 and name HD12) (resid 72 and name HA) 2.677 0.895 0.895 weight 1.000 ! spec=HCH, no=1954, id=4953, vol=3.490000e+07
    or (resid 66 and name HD11) (resid 72 and name HA)
    or (resid 66 and name HD13) (resid 72 and name HA)
assign (resid 66 and name HD12) (resid 72 and name HB2) 3.297 1.359 1.359 weight 1.000 ! spec=HCH, no=1955, id=4954, vol=9.980000e+06
    or (resid 66 and name HD11) (resid 72 and name HB2)
    or (resid 66 and name HD13) (resid 72 and name HB2)
assign (resid 66 and name HD12) (resid 72 and name HB1) 3.931 1.932 1.932 weight 1.000 ! spec=HCH, no=1956, id=4955, vol=3.470000e+06
    or (resid 66 and name HD11) (resid 72 and name HB1)
    or (resid 66 and name HD13) (resid 72 and name HB1)
assign (resid 66 and name HD12) (resid 72 and name HD22) 3.486 1.519 1.519 weight 1.000 ! spec=HCH, no=1957, id=4956, vol=7.150000e+06
    or (resid 66 and name HD11) (resid 72 and name HD22)
    or (resid 66 and name HD13) (resid 72 and name HD22)
assign (resid 66 and name HD12) (resid 75 and name HA) 4.103 2.105 2.105 weight 1.000 ! spec=HCH, no=1958, id=4957, vol=2.690000e+06
    or (resid 66 and name HD11) (resid 75 and name HA)
    or (resid 66 and name HD13) (resid 75 and name HA)
assign (resid 66 and name HD12) (resid 76 and name HN) 4.028 2.028 2.028 weight 1.000 ! spec=HCH, no=1959, id=4958, vol=3.000000e+06
    or (resid 66 and name HD11) (resid 76 and name HN)
    or (resid 66 and name HD13) (resid 76 and name HN)
assign (resid 66 and name HD12) (resid 92 and name HN) 3.760 1.767 1.767 weight 1.000 ! spec=HCH, no=1963, id=4962, vol=4.540000e+06
    or (resid 66 and name HD11) (resid 92 and name HN)
    or (resid 66 and name HD13) (resid 92 and name HN)
assign (resid 66 and name HD12) (resid 104 and name HH2) 3.374 1.423 1.423 weight 1.000 ! spec=HCH, no=1964, id=4963, vol=8.690000e+06
    or (resid 66 and name HD11) (resid 104 and name HH2)
    or (resid 66 and name HD13) (resid 104 and name HH2)
assign (resid 66 and name HD12) (resid 138 and name HD1) 3.446 1.484 1.484 weight 1.000 ! spec=HCH, no=1966, id=4965, vol=7.660000e+06
    or (resid 66 and name HD11) (resid 138 and name HD1)
    or (resid 66 and name HD13) (resid 138 and name HD1)
assign (resid 66 and name HD12) (resid 138 and name HE1) 2.821 0.995 0.995 weight 1.000 ! spec=HCH, no=1967, id=4966, vol=2.540000e+07
    or (resid 66 and name HD11) (resid 138 and name HE1)
    or (resid 66 and name HD13) (resid 138 and name HE1)
assign (resid 66 and name HD12) (resid 138 and name HE3) 4.064 2.064 2.064 weight 1.000 ! spec=HCH, no=1968, id=4967, vol=2.850000e+06
    or (resid 66 and name HD11) (resid 138 and name HE3)
    or (resid 66 and name HD13) (resid 138 and name HE3)
assign (resid 66 and name HD12) (resid 138 and name HH2) 3.481 1.515 1.515 weight 1.000 ! spec=HCH, no=1969, id=4968, vol=7.210000e+06
    or (resid 66 and name HD11) (resid 138 and name HH2)
    or (resid 66 and name HD13) (resid 138 and name HH2)
assign (resid 66 and name HD12) (resid 138 and name HZ3) 3.745 1.753 1.753 weight 1.000 ! spec=HCH, no=1971, id=4970, vol=4.650000e+06
    or (resid 66 and name HD11) (resid 138 and name HZ3)
    or (resid 66 and name HD13) (resid 138 and name HZ3)
assign (resid 66 and name HG11) (resid 104 and name HZ3) 4.113 2.115 2.115 weight 1.000 ! spec=HCH, no=1980, id=4979, vol=2.650000e+06
assign (resid 66 and name HG11) (resid 66 and name HG12) 2.305 0.664 0.664 weight 1.000 ! spec=HCH, no=1989, id=4988, vol=8.540000e+07
assign (resid 66 and name HG11) (resid 66 and name HG22) 2.614 0.854 0.854 weight 1.000 ! spec=HCH, no=1995, id=4993, vol=4.020000e+07
    or (resid 66 and name HG11) (resid 66 and name HG21)
    or (resid 66 and name HG11) (resid 66 and name HG23)
assign (resid 66 and name HG12) (resid 91 and name HD12) 3.670 1.683 1.683 weight 1.000 ! spec=HCH, no=1996, id=4994, vol=5.250000e+06
    or (resid 66 and name HG12) (resid 91 and name HD11)
    or (resid 66 and name HG12) (resid 91 and name HD13)
assign (resid 66 and name HG11) (resid 91 and name HD12) 3.208 1.286 1.286 weight 1.000 ! spec=HCH, no=1997, id=4995, vol=1.180000e+07
    or (resid 66 and name HG11) (resid 91 and name HD11)
    or (resid 66 and name HG11) (resid 91 and name HD13)
assign (resid 66 and name HG22) (resid 67 and name HN) 2.727 0.930 0.930 weight 1.000 ! spec=HCH, no=2002, id=4999, vol=3.120000e+07
    or (resid 66 and name HG21) (resid 67 and name HN)
    or (resid 66 and name HG23) (resid 67 and name HN)
assign (resid 66 and name HG22) (resid 69 and name HA) 3.294 1.357 1.357 weight 1.000 ! spec=HCH, no=2005, id=5001, vol=1.000000e+07
    or (resid 66 and name HG21) (resid 69 and name HA)
    or (resid 66 and name HG23) (resid 69 and name HA)
assign (resid 66 and name HG22) (resid 67 and name HB2) 3.361 1.412 1.412 weight 1.000 ! spec=HCH, no=2010, id=5005, vol=8.900000e+06
    or (resid 66 and name HG21) (resid 67 and name HB2)
    or (resid 66 and name HG23) (resid 67 and name HB2)
assign (resid 66 and name HG22) (resid 69 and name HN) 3.174 1.259 1.259 weight 1.000 ! spec=HCH, no=2013, id=5008, vol=1.260000e+07
    or (resid 66 and name HG21) (resid 69 and name HN)
    or (resid 66 and name HG23) (resid 69 and name HN)
assign (resid 66 and name HG22) (resid 113 and name HA) 3.113 1.212 1.212 weight 1.000 ! spec=HCH, no=2018, id=5013, vol=1.410000e+07
    or (resid 66 and name HG21) (resid 113 and name HA)
    or (resid 66 and name HG23) (resid 113 and name HA)
assign (resid 66 and name HG22) (resid 68 and name HA) 3.394 1.440 1.440 weight 1.000 ! spec=HCH, no=2019, id=5014, vol=8.390000e+06
    or (resid 66 and name HG21) (resid 68 and name HA)
    or (resid 66 and name HG23) (resid 68 and name HA)
assign (resid 66 and name HG12) (resid 66 and name HG22) 2.343 0.686 0.686 weight 1.000 ! spec=HCH, no=2020, id=5015, vol=7.740000e+07
    or (resid 66 and name HG12) (resid 66 and name HG21)
    or (resid 66 and name HG12) (resid 66 and name HG23)
assign (resid 72 and name HN) (resid 66 and name HG22) 2.603 0.847 0.847 weight 1.000 ! spec=HCH, no=2021, id=5016, vol=4.130000e+07
    or (resid 72 and name HN) (resid 66 and name HG21)
    or (resid 72 and name HN) (resid 66 and name HG23)
assign (resid 66 and name HB) (resid 66 and name HG22) 2.271 0.645 0.645 weight 1.000 ! spec=HCH, no=2025, id=5020, vol=9.350000e+07
    or (resid 66 and name HB) (resid 66 and name HG21)
    or (resid 66 and name HB) (resid 66 and name HG23)
assign (resid 66 and name HG22) (resid 66 and name HG21) 1.262 0.199 0.199 weight 1.000 ! spec=HCH, no=2026, id=5021, vol=3.180000e+09
    or (resid 66 and name HG22) (resid 66 and name HG23)
    or (resid 66 and name HG22) (resid 66 and name HG21)
    or (resid 66 and name HG21) (resid 66 and name HG23)
    or (resid 66 and name HG22) (resid 66 and name HG23)
    or (resid 66 and name HG21) (resid 66 and name HG23)
assign (resid 66 and name HG22) (resid 71 and name HG1) 2.416 0.730 0.730 weight 1.000 ! spec=HCH, no=2027, id=5022, vol=6.440000e+07
    or (resid 66 and name HG21) (resid 71 and name HG1)
    or (resid 66 and name HG23) (resid 71 and name HG1)
assign (resid 66 and name HG22) (resid 71 and name HB2) 2.349 0.689 0.689 weight 1.000 ! spec=HCH, no=2028, id=5023, vol=7.640000e+07
    or (resid 66 and name HG21) (resid 71 and name HB2)
    or (resid 66 and name HG23) (resid 71 and name HB2)
assign (resid 66 and name HG22) (resid 72 and name HA) 2.477 0.767 0.767 weight 1.000 ! spec=HCH, no=2029, id=5024, vol=5.550000e+07
    or (resid 66 and name HG21) (resid 72 and name HA)
    or (resid 66 and name HG23) (resid 72 and name HA)
assign (resid 66 and name HG22) (resid 72 and name HB2) 2.416 0.730 0.730 weight 1.000 ! spec=HCH, no=2030, id=5025, vol=6.440000e+07
    or (resid 66 and name HG21) (resid 72 and name HB2)
    or (resid 66 and name HG23) (resid 72 and name HB2)
assign (resid 66 and name HG22) (resid 72 and name HB1) 2.794 0.976 0.976 weight 1.000 ! spec=HCH, no=2031, id=5026, vol=2.700000e+07
    or (resid 66 and name HG21) (resid 72 and name HB1)
    or (resid 66 and name HG23) (resid 72 and name HB1)
assign (resid 66 and name HG22) (resid 91 and name HD22) 3.624 1.641 1.641 weight 1.000 ! spec=HCH, no=2033, id=5028, vol=5.660000e+06
    or (resid 66 and name HG22) (resid 91 and name HD21)
    or (resid 66 and name HG22) (resid 91 and name HD23)
    or (resid 66 and name HG21) (resid 91 and name HD22)
    or (resid 66 and name HG21) (resid 91 and name HD21)
    or (resid 66 and name HG21) (resid 91 and name HD23)
    or (resid 66 and name HG23) (resid 91 and name HD22)
    or (resid 66 and name HG23) (resid 91 and name HD21)
    or (resid 66 and name HG23) (resid 91 and name HD23)
assign (resid 66 and name HG22) (resid 112 and name HD1) 2.158 0.582 0.582 weight 1.000 ! spec=HCH, no=2035, id=5030, vol=1.270000e+08
    or (resid 66 and name HG21) (resid 112 and name HD1)
    or (resid 66 and name HG23) (resid 112 and name HD1)
assign (resid 66 and name HG22) (resid 112 and name HE1) 2.734 0.935 0.935 weight 1.000 ! spec=HCH, no=2036, id=5031, vol=3.070000e+07
    or (resid 66 and name HG21) (resid 112 and name HE1)
    or (resid 66 and name HG23) (resid 112 and name HE1)
assign (resid 66 and name HG22) (resid 114 and name HB2) 3.726 1.736 1.736 weight 1.000 ! spec=HCH, no=2037, id=5032, vol=4.790000e+06
    or (resid 66 and name HG21) (resid 114 and name HB2)
    or (resid 66 and name HG23) (resid 114 and name HB2)
assign (resid 66 and name HG22) (resid 138 and name HH2) 2.902 1.053 1.053 weight 1.000 ! spec=HCH, no=2038, id=5033, vol=2.150000e+07
    or (resid 66 and name HG21) (resid 138 and name HH2)
    or (resid 66 and name HG23) (resid 138 and name HH2)
assign (resid 66 and name HG22) (resid 138 and name HZ2) 2.384 0.711 0.711 weight 1.000 ! spec=HCH, no=2039, id=5034, vol=6.980000e+07
    or (resid 66 and name HG21) (resid 138 and name HZ2)
    or (resid 66 and name HG23) (resid 138 and name HZ2)
assign (resid 66 and name HG22) (resid 138 and name HZ3) 3.520 1.549 1.549 weight 1.000 ! spec=HCH, no=2040, id=5035, vol=6.740000e+06
    or (resid 66 and name HG21) (resid 138 and name HZ3)
    or (resid 66 and name HG23) (resid 138 and name HZ3)
assign (resid 68 and name HN) (resid 67 and name HA) 2.886 1.041 1.041 weight 1.000 ! spec=HCH, no=2045, id=5040, vol=2.220000e+07
assign (resid 67 and name HA) (resid 112 and name HB2) 2.941 1.081 1.081 weight 1.000 ! spec=HCH, no=2046, id=5041, vol=1.980000e+07
assign (resid 67 and name HA) (resid 67 and name HB2) 2.968 1.101 1.101 weight 1.000 ! spec=HCH, no=2048, id=5043, vol=1.880000e+07
assign (resid 67 and name HA) (resid 67 and name HB1) 2.864 1.025 1.025 weight 1.000 ! spec=HCH, no=2049, id=5044, vol=2.330000e+07
assign (resid 67 and name HB2) (resid 66 and name HA) 3.904 1.905 1.905 weight 1.000 ! spec=HCH, no=2056, id=5051, vol=3.620000e+06
assign (resid 67 and name HB2) (resid 67 and name HN) 3.161 1.249 1.249 weight 1.000 ! spec=HCH, no=2057, id=5052, vol=1.290000e+07
assign (resid 67 and name HB1) (resid 67 and name HB2) 2.453 0.752 0.752 weight 1.000 ! spec=HCH, no=2062, id=5056, vol=5.880000e+07
assign (resid 68 and name HD21) (resid 68 and name HA) 3.392 1.438 1.438 weight 1.000 ! spec=HCH, no=2069, id=5063, vol=8.420000e+06
assign (resid 68 and name HA) (resid 69 and name HG1) 3.894 1.895 1.895 weight 1.000 ! spec=HCH, no=2070, id=5064, vol=3.680000e+06
assign (resid 68 and name HA) (resid 68 and name HB2) 2.456 0.754 0.754 weight 1.000 ! spec=HCH, no=2072, id=5065, vol=5.840000e+07
assign (resid 68 and name HA) (resid 68 and name HB1) 2.472 0.764 0.764 weight 1.000 ! spec=HCH, no=2073, id=5066, vol=5.620000e+07
assign (resid 68 and name HA) (resid 69 and name HB1) 3.401 1.446 1.446 weight 1.000 ! spec=HCH, no=2076, id=5069, vol=8.290000e+06
assign (resid 68 and name HA) (resid 112 and name HB2) 3.570 1.593 1.593 weight 1.000 ! spec=HCH, no=2077, id=5070, vol=6.200000e+06
assign (resid 68 and name HA) (resid 112 and name HD1) 2.580 0.832 0.832 weight 1.000 ! spec=HCH, no=2078, id=5071, vol=4.340000e+07
assign (resid 68 and name HB2) (resid 71 and name HB2) 3.460 1.497 1.497 weight 1.000 ! spec=HCH, no=2083, id=5075, vol=7.470000e+06
    or (resid 68 and name HB2) (resid 71 and name HB1)
assign (resid 68 and name HB1) (resid 68 and name HB2) 2.369 0.702 0.702 weight 1.000 ! spec=HCH, no=2087, id=5079, vol=7.250000e+07
assign (resid 68 and name HD22) (resid 68 and name HB1) 2.920 1.066 1.066 weight 1.000 ! spec=HCH, no=2092, id=5084, vol=2.070000e+07
assign (resid 68 and name HB1) (resid 69 and name HN) 2.846 1.012 1.012 weight 1.000 ! spec=HCH, no=2094, id=5086, vol=2.420000e+07
assign (resid 68 and name HB1) (resid 69 and name HB1) 3.872 1.874 1.874 weight 1.000 ! spec=HCH, no=2095, id=5087, vol=3.810000e+06
assign (resid 69 and name HA) (resid 72 and name HB1) 2.851 1.016 1.016 weight 1.000 ! spec=HCH, no=2097, id=5089, vol=2.390000e+07
assign (resid 69 and name HA) (resid 73 and name HB2) 2.987 1.115 1.115 weight 1.000 ! spec=HCH, no=2099, id=5091, vol=1.810000e+07
    or (resid 69 and name HA) (resid 73 and name HB1)
    or (resid 69 and name HA) (resid 73 and name HB3)
assign (resid 69 and name HA) (resid 69 and name HG2) 2.795 0.977 0.977 weight 1.000 ! spec=HCH, no=2100, id=5092, vol=2.690000e+07
assign (resid 69 and name HA) (resid 72 and name HB2) 2.671 0.892 0.892 weight 1.000 ! spec=HCH, no=2102, id=5094, vol=3.530000e+07
assign (resid 69 and name HN) (resid 69 and name HA) 2.636 0.868 0.868 weight 1.000 ! spec=HCH, no=2103, id=5095, vol=3.820000e+07
assign (resid 69 and name HA) (resid 69 and name HB2) 2.638 0.870 0.870 weight 1.000 ! spec=HCH, no=2105, id=5096, vol=3.800000e+07
assign (resid 69 and name HA) (resid 69 and name HB1) 2.586 0.836 0.836 weight 1.000 ! spec=HCH, no=2106, id=5097, vol=4.290000e+07
assign (resid 72 and name HD22) (resid 69 and name HA) 3.617 1.636 1.636 weight 1.000 ! spec=HCH, no=2108, id=5099, vol=5.720000e+06
assign (resid 69 and name HA) (resid 112 and name HD1) 2.938 1.079 1.079 weight 1.000 ! spec=HCH, no=2109, id=5100, vol=1.990000e+07
assign (resid 69 and name HA) (resid 112 and name HE1) 2.648 0.877 0.877 weight 1.000 ! spec=HCH, no=2110, id=5101, vol=3.720000e+07
assign (resid 68 and name HA) (resid 69 and name HB2) 3.959 1.959 1.959 weight 1.000 ! spec=HCH, no=2114, id=5105, vol=3.330000e+06
assign (resid 69 and name HB1) (resid 73 and name HB2) 3.624 1.642 1.642 weight 1.000 ! spec=HCH, no=2118, id=5109, vol=5.660000e+06
    or (resid 69 and name HB1) (resid 73 and name HB1)
    or (resid 69 and name HB1) (resid 73 and name HB3)
assign (resid 69 and name HN) (resid 69 and name HB2) 2.578 0.831 0.831 weight 1.000 ! spec=HCH, no=2119, id=5110, vol=4.370000e+07
assign (resid 69 and name HB1) (resid 69 and name HN) 2.654 0.881 0.881 weight 1.000 ! spec=HCH, no=2120, id=5111, vol=3.670000e+07
assign (resid 69 and name HB1) (resid 69 and name HB2) 2.129 0.567 0.567 weight 1.000 ! spec=HCH, no=2123, id=5114, vol=1.380000e+08
assign (resid 69 and name HB2) (resid 69 and name HG1) 2.602 0.847 0.847 weight 1.000 ! spec=HCH, no=2126, id=5117, vol=4.130000e+07
assign (resid 69 and name HB1) (resid 69 and name HG1) 2.394 0.716 0.716 weight 1.000 ! spec=HCH, no=2127, id=5118, vol=6.810000e+07
assign (resid 69 and name HG2) (resid 73 and name HB2) 3.596 1.616 1.616 weight 1.000 ! spec=HCH, no=2130, id=5121, vol=5.930000e+06
    or (resid 69 and name HG2) (resid 73 and name HB1)
    or (resid 69 and name HG2) (resid 73 and name HB3)
assign (resid 69 and name HG1) (resid 69 and name HN) 3.166 1.253 1.253 weight 1.000 ! spec=HCH, no=2139, id=5130, vol=1.270000e+07
assign (resid 69 and name HG1) (resid 72 and name HN) 3.920 1.920 1.920 weight 1.000 ! spec=HCH, no=2140, id=5131, vol=3.540000e+06
assign (resid 69 and name HG2) (resid 69 and name HN) 3.148 1.239 1.239 weight 1.000 ! spec=HCH, no=2142, id=5133, vol=1.320000e+07
assign (resid 69 and name HA) (resid 69 and name HG1) 3.281 1.345 1.345 weight 1.000 ! spec=HCH, no=2144, id=5135, vol=1.030000e+07
assign (resid 69 and name HG2) (resid 69 and name HB2) 2.525 0.797 0.797 weight 1.000 ! spec=HCH, no=2145, id=5136, vol=4.940000e+07
assign (resid 69 and name HG1) (resid 69 and name HG2) 1.854 0.430 0.430 weight 1.000 ! spec=HCH, no=2148, id=5139, vol=3.150000e+08
assign (resid 69 and name HB2) (resid 70 and name HA) 3.189 1.271 1.271 weight 1.000 ! spec=HCH, no=2150, id=5140, vol=1.220000e+07
assign (resid 70 and name HA) (resid 70 and name HB2) 2.481 0.769 0.769 weight 1.000 ! spec=HCH, no=2155, id=5145, vol=5.500000e+07
assign (resid 70 and name HB2) (resid 73 and name HB2) 3.798 1.803 1.803 weight 1.000 ! spec=HCH, no=2158, id=5148, vol=4.270000e+06
    or (resid 70 and name HB2) (resid 73 and name HB1)
    or (resid 70 and name HB2) (resid 73 and name HB3)
assign (resid 70 and name HB2) (resid 70 and name HB1) 1.957 0.479 0.479 weight 1.000 ! spec=HCH, no=2159, id=5149, vol=2.280000e+08
assign (resid 33 and name HE21) (resid 70 and name HB2) 2.932 1.075 1.075 weight 1.000 ! spec=HCH, no=2163, id=5153, vol=2.020000e+07
assign (resid 70 and name HB2) (resid 68 and name HB1) 4.207 2.212 2.212 weight 1.000 ! spec=HCH, no=2167, id=5157, vol=2.310000e+06
assign (resid 70 and name HB1) (resid 68 and name HB1) 4.410 2.431 2.431 weight 1.000 ! spec=HCH, no=2171, id=5161, vol=1.740000e+06
assign (resid 70 and name HB1) (resid 70 and name HG1) 2.395 0.717 0.717 weight 1.000 ! spec=HCH, no=2175, id=5165, vol=6.800000e+07
assign (resid 70 and name HN) (resid 70 and name HB2) 2.752 0.947 0.947 weight 1.000 ! spec=HCH, no=2177, id=5166, vol=2.950000e+07
assign (resid 70 and name HB1) (resid 70 and name HA) 2.801 0.980 0.980 weight 1.000 ! spec=HCH, no=2180, id=5169, vol=2.660000e+07
assign (resid 70 and name HB2) (resid 71 and name HN) 3.203 1.283 1.283 weight 1.000 ! spec=HCH, no=2181, id=5170, vol=1.190000e+07
assign (resid 70 and name HG2) (resid 71 and name HN) 3.516 1.545 1.545 weight 1.000 ! spec=HCH, no=2184, id=5173, vol=6.790000e+06
assign (resid 68 and name HB1) (resid 70 and name HG2) 3.884 1.886 1.886 weight 1.000 ! spec=HCH, no=2185, id=5174, vol=3.730000e+06
assign (resid 70 and name HG2) (resid 33 and name HE22) 4.076 2.077 2.077 weight 1.000 ! spec=HCH, no=2186, id=5175, vol=2.800000e+06
assign (resid 71 and name HN) (resid 70 and name HG1) 3.489 1.522 1.522 weight 1.000 ! spec=HCH, no=2187, id=5176, vol=7.100000e+06
assign (resid 70 and name HG1) (resid 68 and name HB1) 3.925 1.926 1.926 weight 1.000 ! spec=HCH, no=2190, id=5179, vol=3.510000e+06
assign (resid 70 and name HG2) (resid 70 and name HN) 2.853 1.018 1.018 weight 1.000 ! spec=HCH, no=2193, id=5182, vol=2.380000e+07
assign (resid 70 and name HG1) (resid 70 and name HN) 2.886 1.041 1.041 weight 1.000 ! spec=HCH, no=2194, id=5183, vol=2.220000e+07
assign (resid 70 and name HG2) (resid 70 and name HA) 2.552 0.814 0.814 weight 1.000 ! spec=HCH, no=2195, id=5184, vol=4.640000e+07
assign (resid 70 and name HG2) (resid 70 and name HB2) 2.447 0.748 0.748 weight 1.000 ! spec=HCH, no=2197, id=5186, vol=5.980000e+07
assign (resid 70 and name HB2) (resid 70 and name HG1) 2.434 0.741 0.741 weight 1.000 ! spec=HCH, no=2198, id=5187, vol=6.170000e+07
assign (resid 70 and name HG1) (resid 70 and name HG2) 1.814 0.412 0.412 weight 1.000 ! spec=HCH, no=2201, id=5189, vol=3.590000e+08
assign (resid 71 and name HA) (resid 74 and name HD1) 3.357 1.409 1.409 weight 1.000 ! spec=HCH, no=2205, id=5192, vol=8.960000e+06
    or (resid 71 and name HA) (resid 74 and name HD2)
assign (resid 71 and name HA) (resid 71 and name HG1) 2.857 1.020 1.020 weight 1.000 ! spec=HCH, no=2206, id=5193, vol=2.360000e+07
assign (resid 71 and name HA) (resid 32 and name HE1) 2.722 0.926 0.926 weight 1.000 ! spec=HCH, no=2207, id=5194, vol=3.150000e+07
    or (resid 71 and name HA) (resid 32 and name HE2)
assign (resid 71 and name HA) (resid 71 and name HB2) 2.603 0.847 0.847 weight 1.000 ! spec=HCH, no=2211, id=5198, vol=4.120000e+07
    or (resid 71 and name HA) (resid 71 and name HB1)
assign (resid 71 and name HB2) (resid 67 and name HN) 3.655 1.670 1.670 weight 1.000 ! spec=HCH, no=2216, id=5203, vol=5.380000e+06
assign (resid 66 and name HA) (resid 71 and name HB2) 2.444 0.747 0.747 weight 1.000 ! spec=HCH, no=2217, id=5204, vol=6.010000e+07
assign (resid 71 and name HB2) (resid 71 and name HG1) 2.766 0.957 0.957 weight 1.000 ! spec=HCH, no=2219, id=5206, vol=2.860000e+07
assign (resid 71 and name HA) (resid 71 and name HB2) 3.012 1.134 1.134 weight 1.000 ! spec=HCH, no=2223, id=5210, vol=1.720000e+07
assign (resid 71 and name HG2) (resid 32 and name HD1) 3.698 1.709 1.709 weight 1.000 ! spec=HCH, no=2226, id=5213, vol=5.010000e+06
    or (resid 71 and name HG2) (resid 32 and name HD2)
assign (resid 71 and name HG2) (resid 32 and name HE1) 3.470 1.505 1.505 weight 1.000 ! spec=HCH, no=2228, id=5215, vol=7.340000e+06
    or (resid 71 and name HG2) (resid 32 and name HE2)
assign (resid 71 and name HG1) (resid 66 and name HG12) 3.405 1.449 1.449 weight 1.000 ! spec=HCH, no=2229, id=5216, vol=8.230000e+06
assign (resid 71 and name HG1) (resid 32 and name HD1) 3.701 1.712 1.712 weight 1.000 ! spec=HCH, no=2230, id=5217, vol=4.990000e+06
    or (resid 71 and name HG1) (resid 32 and name HD2)
assign (resid 71 and name HB2) (resid 71 and name HG1) 2.799 0.979 0.979 weight 1.000 ! spec=HCH, no=2231, id=5218, vol=2.670000e+07
    or (resid 71 and name HG1) (resid 71 and name HB1)
assign (resid 71 and name HG1) (resid 32 and name HE1) 3.390 1.436 1.436 weight 1.000 ! spec=HCH, no=2232, id=5219, vol=8.460000e+06
    or (resid 71 and name HG1) (resid 32 and name HE2)
assign (resid 66 and name HG11) (resid 71 and name HG2) 3.750 1.758 1.758 weight 1.000 ! spec=HCH, no=2234, id=5221, vol=4.610000e+06
assign (resid 71 and name HG1) (resid 66 and name HG11) 3.898 1.899 1.899 weight 1.000 ! spec=HCH, no=2235, id=5222, vol=3.660000e+06
assign (resid 71 and name HG2) (resid 66 and name HG22) 3.278 1.344 1.344 weight 1.000 ! spec=HCH, no=2236, id=5223, vol=1.030000e+07
    or (resid 71 and name HG2) (resid 66 and name HG21)
    or (resid 71 and name HG2) (resid 66 and name HG23)
assign (resid 71 and name HG2) (resid 71 and name HN) 3.619 1.638 1.638 weight 1.000 ! spec=HCH, no=2238, id=5225, vol=5.700000e+06
assign (resid 71 and name HG1) (resid 71 and name HN) 3.642 1.658 1.658 weight 1.000 ! spec=HCH, no=2239, id=5226, vol=5.490000e+06
assign (resid 71 and name HA) (resid 71 and name HG2) 3.226 1.301 1.301 weight 1.000 ! spec=HCH, no=2240, id=5227, vol=1.140000e+07
assign (resid 71 and name HG2) (resid 71 and name HG1) 2.507 0.786 0.786 weight 1.000 ! spec=HCH, no=2242, id=5229, vol=5.160000e+07
assign (resid 72 and name HA) (resid 72 and name HB2) 2.629 0.864 0.864 weight 1.000 ! spec=HCH, no=2249, id=5235, vol=3.890000e+07
assign (resid 72 and name HA) (resid 75 and name HG11) 2.881 1.038 1.038 weight 1.000 ! spec=HCH, no=2251, id=5237, vol=2.240000e+07
assign (resid 72 and name HA) (resid 66 and name HG12) 2.853 1.018 1.018 weight 1.000 ! spec=HCH, no=2254, id=5240, vol=2.380000e+07
assign (resid 72 and name HA) (resid 66 and name HG11) 3.251 1.321 1.321 weight 1.000 ! spec=HCH, no=2255, id=5241, vol=1.090000e+07
assign (resid 72 and name HA) (resid 72 and name HB1) 2.847 1.013 1.013 weight 1.000 ! spec=HCH, no=2257, id=5243, vol=2.410000e+07
assign (resid 72 and name HD22) (resid 72 and name HA) 3.525 1.553 1.553 weight 1.000 ! spec=HCH, no=2258, id=5244, vol=6.680000e+06
assign (resid 73 and name HN) (resid 72 and name HA) 3.252 1.322 1.322 weight 1.000 ! spec=HCH, no=2259, id=5245, vol=1.080000e+07
assign (resid 72 and name HA) (resid 75 and name HN) 2.968 1.101 1.101 weight 1.000 ! spec=HCH, no=2260, id=5246, vol=1.880000e+07
assign (resid 72 and name HB2) (resid 73 and name HB2) 3.414 1.457 1.457 weight 1.000 ! spec=HCH, no=2264, id=5250, vol=8.100000e+06
    or (resid 72 and name HB2) (resid 73 and name HB1)
    or (resid 72 and name HB2) (resid 73 and name HB3)
assign (resid 72 and name HB2) (resid 113 and name HA) 3.802 1.807 1.807 weight 1.000 ! spec=HCH, no=2265, id=5251, vol=4.250000e+06
assign (resid 72 and name HB1) (resid 76 and name HD12) 3.821 1.825 1.825 weight 1.000 ! spec=HCH, no=2269, id=5255, vol=4.120000e+06
    or (resid 72 and name HB1) (resid 76 and name HD11)
    or (resid 72 and name HB1) (resid 76 and name HD13)
assign (resid 72 and name HB1) (resid 69 and name HB1) 3.872 1.874 1.874 weight 1.000 ! spec=HCH, no=2270, id=5256, vol=3.810000e+06
assign (resid 72 and name HB1) (resid 72 and name HB2) 2.483 0.771 0.771 weight 1.000 ! spec=HCH, no=2277, id=5263, vol=5.470000e+07
assign (resid 72 and name HD21) (resid 72 and name HB2) 3.078 1.184 1.184 weight 1.000 ! spec=HCH, no=2279, id=5264, vol=1.510000e+07
assign (resid 72 and name HD22) (resid 72 and name HB2) 3.380 1.428 1.428 weight 1.000 ! spec=HCH, no=2281, id=5266, vol=8.600000e+06
assign (resid 72 and name HB1) (resid 112 and name HD1) 3.476 1.511 1.511 weight 1.000 ! spec=HCH, no=2287, id=5272, vol=7.260000e+06
assign (resid 72 and name HB2) (resid 112 and name HE1) 3.448 1.486 1.486 weight 1.000 ! spec=HCH, no=2288, id=5273, vol=7.630000e+06
assign (resid 72 and name HB1) (resid 112 and name HE1) 3.519 1.548 1.548 weight 1.000 ! spec=HCH, no=2289, id=5274, vol=6.760000e+06
assign (resid 77 and name HN) (resid 73 and name HA) 3.268 1.335 1.335 weight 1.000 ! spec=HCH, no=2292, id=5277, vol=1.050000e+07
assign (resid 73 and name HB2) (resid 114 and name HE1) 3.869 1.871 1.871 weight 1.000 ! spec=HCH, no=2306, id=5290, vol=3.820000e+06
    or (resid 73 and name HB1) (resid 114 and name HE1)
    or (resid 73 and name HB3) (resid 114 and name HE1)
assign (resid 74 and name HN) (resid 73 and name HB2) 2.334 0.681 0.681 weight 1.000 ! spec=HCH, no=2310, id=5294, vol=7.930000e+07
    or (resid 74 and name HN) (resid 73 and name HB1)
    or (resid 74 and name HN) (resid 73 and name HB3)
assign (resid 72 and name HB1) (resid 73 and name HB2) 3.041 1.156 1.156 weight 1.000 ! spec=HCH, no=2311, id=5295, vol=1.620000e+07
    or (resid 72 and name HB1) (resid 73 and name HB1)
    or (resid 72 and name HB1) (resid 73 and name HB3)
assign (resid 73 and name HB2) (resid 76 and name HB1) 2.742 0.940 0.940 weight 1.000 ! spec=HCH, no=2314, id=5298, vol=3.020000e+07
    or (resid 73 and name HB1) (resid 76 and name HB1)
    or (resid 73 and name HB3) (resid 76 and name HB1)
assign (resid 73 and name HB2) (resid 72 and name HD22) 3.499 1.531 1.531 weight 1.000 ! spec=HCH, no=2318, id=5301, vol=6.990000e+06
    or (resid 73 and name HB1) (resid 72 and name HD22)
    or (resid 73 and name HB3) (resid 72 and name HD22)
assign (resid 73 and name HN) (resid 73 and name HB2) 2.037 0.519 0.519 weight 1.000 ! spec=HCH, no=2325, id=5308, vol=1.800000e+08
    or (resid 73 and name HN) (resid 73 and name HB1)
    or (resid 73 and name HN) (resid 73 and name HB3)
assign (resid 73 and name HA) (resid 73 and name HB2) 1.857 0.431 0.431 weight 1.000 ! spec=HCH, no=2326, id=5309, vol=3.120000e+08
    or (resid 73 and name HA) (resid 73 and name HB1)
    or (resid 73 and name HA) (resid 73 and name HB3)
assign (resid 73 and name HB2) (resid 73 and name HB1) 1.224 0.187 0.187 weight 1.000 ! spec=HCH, no=2327, id=5310, vol=3.820000e+09
    or (resid 73 and name HB2) (resid 73 and name HB3)
    or (resid 73 and name HB2) (resid 73 and name HB1)
    or (resid 73 and name HB1) (resid 73 and name HB3)
    or (resid 73 and name HB2) (resid 73 and name HB3)
    or (resid 73 and name HB1) (resid 73 and name HB3)
assign (resid 74 and name HA) (resid 32 and name HE1) 3.406 1.450 1.450 weight 1.000 ! spec=HCH, no=2328, id=5311, vol=8.210000e+06
    or (resid 74 and name HA) (resid 32 and name HE2)
assign (resid 74 and name HA) (resid 78 and name HN) 3.385 1.432 1.432 weight 1.000 ! spec=HCH, no=2331, id=5314, vol=8.530000e+06
assign (resid 76 and name HN) (resid 74 and name HA) 3.451 1.489 1.489 weight 1.000 ! spec=HCH, no=2334, id=5317, vol=7.590000e+06
assign (resid 74 and name HA) (resid 74 and name HB2) 2.269 0.643 0.643 weight 1.000 ! spec=HCH, no=2339, id=5321, vol=9.400000e+07
assign (resid 74 and name HA) (resid 74 and name HB1) 2.222 0.617 0.617 weight 1.000 ! spec=HCH, no=2340, id=5322, vol=1.070000e+08
assign (resid 75 and name HN) (resid 74 and name HA) 2.555 0.816 0.816 weight 1.000 ! spec=HCH, no=2342, id=5324, vol=4.610000e+07
assign (resid 71 and name HA) (resid 74 and name HB2) 3.171 1.257 1.257 weight 1.000 ! spec=HCH, no=2349, id=5331, vol=1.260000e+07
assign (resid 74 and name HB1) (resid 71 and name HA) 3.132 1.226 1.226 weight 1.000 ! spec=HCH, no=2352, id=5334, vol=1.360000e+07
assign (resid 74 and name HB1) (resid 73 and name HN) 3.729 1.738 1.738 weight 1.000 ! spec=HCH, no=2356, id=5338, vol=4.770000e+06
assign (resid 73 and name HB2) (resid 74 and name HB2) 3.735 1.744 1.744 weight 1.000 ! spec=HCH, no=2357, id=5339, vol=4.720000e+06
    or (resid 73 and name HB1) (resid 74 and name HB2)
    or (resid 73 and name HB3) (resid 74 and name HB2)
assign (resid 74 and name HB1) (resid 73 and name HB2) 3.521 1.550 1.550 weight 1.000 ! spec=HCH, no=2358, id=5340, vol=6.730000e+06
    or (resid 74 and name HB1) (resid 73 and name HB1)
    or (resid 74 and name HB1) (resid 73 and name HB3)
assign (resid 75 and name HA) (resid 83 and name HZ3) 3.380 1.428 1.428 weight 1.000 ! spec=HCH, no=2364, id=5346, vol=8.600000e+06
assign (resid 75 and name HA) (resid 76 and name HA) 3.965 1.965 1.965 weight 1.000 ! spec=HCH, no=2367, id=5349, vol=3.300000e+06
assign (resid 75 and name HA) (resid 78 and name HG21) 3.501 1.532 1.532 weight 1.000 ! spec=HCH, no=2368, id=5350, vol=6.970000e+06
    or (resid 75 and name HA) (resid 78 and name HG22)
    or (resid 75 and name HA) (resid 78 and name HG23)
assign (resid 75 and name HA) (resid 79 and name HN) 3.252 1.322 1.322 weight 1.000 ! spec=HCH, no=2369, id=5351, vol=1.080000e+07
assign (resid 75 and name HA) (resid 75 and name HB) 2.927 1.071 1.071 weight 1.000 ! spec=HCH, no=2371, id=5353, vol=2.040000e+07
assign (resid 75 and name HA) (resid 75 and name HG12) 2.896 1.048 1.048 weight 1.000 ! spec=HCH, no=2372, id=5354, vol=2.170000e+07
assign (resid 75 and name HA) (resid 75 and name HG11) 2.913 1.061 1.061 weight 1.000 ! spec=HCH, no=2373, id=5355, vol=2.100000e+07
assign (resid 75 and name HA) (resid 76 and name HD12) 3.547 1.573 1.573 weight 1.000 ! spec=HCH, no=2375, id=5357, vol=6.440000e+06
    or (resid 75 and name HA) (resid 76 and name HD11)
    or (resid 75 and name HA) (resid 76 and name HD13)
assign (resid 75 and name HA) (resid 79 and name HD22) 2.464 0.759 0.759 weight 1.000 ! spec=HCH, no=2377, id=5359, vol=5.730000e+07
    or (resid 75 and name HA) (resid 79 and name HD21)
    or (resid 75 and name HA) (resid 79 and name HD23)
assign (resid 75 and name HA) (resid 152 and name HD22) 2.756 0.949 0.949 weight 1.000 ! spec=HCH, no=2379, id=5361, vol=2.930000e+07
    or (resid 75 and name HA) (resid 152 and name HD21)
    or (resid 75 and name HA) (resid 152 and name HD23)
assign (resid 75 and name HB) (resid 76 and name HD12) 3.237 1.310 1.310 weight 1.000 ! spec=HCH, no=2381, id=5363, vol=1.110000e+07
    or (resid 75 and name HB) (resid 76 and name HD11)
    or (resid 75 and name HB) (resid 76 and name HD13)
assign (resid 75 and name HB) (resid 78 and name HB) 4.069 2.070 2.070 weight 1.000 ! spec=HCH, no=2382, id=5364, vol=2.820000e+06
assign (resid 75 and name HB) (resid 74 and name HD1) 3.681 1.694 1.694 weight 1.000 ! spec=HCH, no=2386, id=5368, vol=5.150000e+06
assign (resid 75 and name HB) (resid 76 and name HA) 4.033 2.033 2.033 weight 1.000 ! spec=HCH, no=2392, id=5373, vol=2.980000e+06
assign (resid 75 and name HD12) (resid 75 and name HB) 2.416 0.730 0.730 weight 1.000 ! spec=HCH, no=2394, id=5375, vol=6.450000e+07
    or (resid 75 and name HD11) (resid 75 and name HB)
    or (resid 75 and name HD13) (resid 75 and name HB)
assign (resid 75 and name HD12) (resid 37 and name HB2) 3.368 1.418 1.418 weight 1.000 ! spec=HCH, no=2399, id=5380, vol=8.790000e+06
    or (resid 75 and name HD11) (resid 37 and name HB2)
    or (resid 75 and name HD13) (resid 37 and name HB2)
assign (resid 71 and name HG1) (resid 75 and name HD12) 2.832 1.003 1.003 weight 1.000 ! spec=HCH, no=2401, id=5382, vol=2.490000e+07
    or (resid 71 and name HG1) (resid 75 and name HD11)
    or (resid 71 and name HG1) (resid 75 and name HD13)
assign (resid 75 and name HD12) (resid 74 and name HE1) 2.949 1.087 1.087 weight 1.000 ! spec=HCH, no=2405, id=5386, vol=1.950000e+07
    or (resid 75 and name HD11) (resid 74 and name HE1)
    or (resid 75 and name HD13) (resid 74 and name HE1)
assign (resid 75 and name HD12) (resid 74 and name HD1) 2.836 1.005 1.005 weight 1.000 ! spec=HCH, no=2406, id=5387, vol=2.460000e+07
    or (resid 75 and name HD11) (resid 74 and name HD1)
    or (resid 75 and name HD13) (resid 74 and name HD1)
assign (resid 75 and name HN) (resid 75 and name HD12) 2.797 0.978 0.978 weight 1.000 ! spec=HCH, no=2407, id=5388, vol=2.680000e+07
    or (resid 75 and name HN) (resid 75 and name HD11)
    or (resid 75 and name HN) (resid 75 and name HD13)
assign (resid 75 and name HD12) (resid 75 and name HA) 2.491 0.775 0.775 weight 1.000 ! spec=HCH, no=2408, id=5389, vol=5.370000e+07
    or (resid 75 and name HD11) (resid 75 and name HA)
    or (resid 75 and name HD13) (resid 75 and name HA)
assign (resid 75 and name HD12) (resid 75 and name HG11) 2.244 0.629 0.629 weight 1.000 ! spec=HCH, no=2409, id=5390, vol=1.000000e+08
    or (resid 75 and name HD11) (resid 75 and name HG11)
    or (resid 75 and name HD13) (resid 75 and name HG11)
assign (resid 75 and name HG12) (resid 72 and name HA) 3.700 1.711 1.711 weight 1.000 ! spec=HCH, no=2411, id=5392, vol=5.000000e+06
assign (resid 75 and name HG12) (resid 74 and name HB1) 3.532 1.559 1.559 weight 1.000 ! spec=HCH, no=2415, id=5396, vol=6.610000e+06
assign (resid 75 and name HG11) (resid 71 and name HG2) 3.340 1.394 1.394 weight 1.000 ! spec=HCH, no=2416, id=5397, vol=9.240000e+06
assign (resid 75 and name HB) (resid 75 and name HG11) 2.744 0.941 0.941 weight 1.000 ! spec=HCH, no=2417, id=5398, vol=3.000000e+07
assign (resid 75 and name HB) (resid 75 and name HG12) 2.934 1.076 1.076 weight 1.000 ! spec=HCH, no=2423, id=5404, vol=2.010000e+07
assign (resid 75 and name HG12) (resid 75 and name HG11) 2.391 0.715 0.715 weight 1.000 ! spec=HCH, no=2424, id=5405, vol=6.860000e+07
assign (resid 75 and name HG11) (resid 76 and name HN) 3.660 1.675 1.675 weight 1.000 ! spec=HCH, no=2426, id=5407, vol=5.330000e+06
assign (resid 75 and name HG22) (resid 78 and name HG21) 3.428 1.469 1.469 weight 1.000 ! spec=HCH, no=2428, id=5408, vol=7.900000e+06
    or (resid 75 and name HG22) (resid 78 and name HG22)
    or (resid 75 and name HG22) (resid 78 and name HG23)
    or (resid 75 and name HG21) (resid 78 and name HG21)
    or (resid 75 and name HG21) (resid 78 and name HG22)
    or (resid 75 and name HG21) (resid 78 and name HG23)
    or (resid 75 and name HG23) (resid 78 and name HG21)
    or (resid 75 and name HG23) (resid 78 and name HG22)
    or (resid 75 and name HG23) (resid 78 and name HG23)
assign (resid 75 and name HG22) (resid 152 and name HA) 4.099 2.100 2.100 weight 1.000 ! spec=HCH, no=2434, id=5413, vol=2.700000e+06
    or (resid 75 and name HG21) (resid 152 and name HA)
    or (resid 75 and name HG23) (resid 152 and name HA)
assign (resid 75 and name HB) (resid 75 and name HG22) 2.195 0.602 0.602 weight 1.000 ! spec=HCH, no=2438, id=5416, vol=1.150000e+08
    or (resid 75 and name HB) (resid 75 and name HG21)
    or (resid 75 and name HB) (resid 75 and name HG23)
assign (resid 75 and name HG22) (resid 79 and name HN) 3.138 1.231 1.231 weight 1.000 ! spec=HCH, no=2441, id=5419, vol=1.340000e+07
    or (resid 75 and name HG21) (resid 79 and name HN)
    or (resid 75 and name HG23) (resid 79 and name HN)
assign (resid 75 and name HG22) (resid 83 and name HZ3) 3.067 1.176 1.176 weight 1.000 ! spec=HCH, no=2444, id=5422, vol=1.540000e+07
    or (resid 75 and name HG21) (resid 83 and name HZ3)
    or (resid 75 and name HG23) (resid 83 and name HZ3)
assign (resid 75 and name HG22) (resid 71 and name HG1) 3.917 1.918 1.918 weight 1.000 ! spec=HCH, no=2445, id=5423, vol=3.550000e+06
    or (resid 75 and name HG21) (resid 71 and name HG1)
    or (resid 75 and name HG23) (resid 71 and name HG1)
assign (resid 75 and name HG22) (resid 78 and name HN) 3.425 1.467 1.467 weight 1.000 ! spec=HCH, no=2447, id=5425, vol=7.940000e+06
    or (resid 75 and name HG21) (resid 78 and name HN)
    or (resid 75 and name HG23) (resid 78 and name HN)
assign (resid 75 and name HG22) (resid 78 and name HB) 3.233 1.307 1.307 weight 1.000 ! spec=HCH, no=2449, id=5427, vol=1.120000e+07
    or (resid 75 and name HG21) (resid 78 and name HB)
    or (resid 75 and name HG23) (resid 78 and name HB)
assign (resid 75 and name HG22) (resid 65 and name HN) 3.971 1.971 1.971 weight 1.000 ! spec=HCH, no=2455, id=5433, vol=3.270000e+06
    or (resid 75 and name HG21) (resid 65 and name HN)
    or (resid 75 and name HG23) (resid 65 and name HN)
assign (resid 75 and name HG22) (resid 74 and name HD1) 3.389 1.436 1.436 weight 1.000 ! spec=HCH, no=2458, id=5436, vol=8.460000e+06
    or (resid 75 and name HG21) (resid 74 and name HD1)
    or (resid 75 and name HG23) (resid 74 and name HD1)
assign (resid 75 and name HN) (resid 75 and name HG22) 2.706 0.915 0.915 weight 1.000 ! spec=HCH, no=2459, id=5437, vol=3.260000e+07
    or (resid 75 and name HN) (resid 75 and name HG21)
    or (resid 75 and name HN) (resid 75 and name HG23)
assign (resid 75 and name HG22) (resid 75 and name HA) 2.381 0.709 0.709 weight 1.000 ! spec=HCH, no=2460, id=5438, vol=7.030000e+07
    or (resid 75 and name HG21) (resid 75 and name HA)
    or (resid 75 and name HG23) (resid 75 and name HA)
assign (resid 75 and name HG22) (resid 75 and name HG11) 2.449 0.749 0.749 weight 1.000 ! spec=HCH, no=2461, id=5439, vol=5.950000e+07
    or (resid 75 and name HG21) (resid 75 and name HG11)
    or (resid 75 and name HG23) (resid 75 and name HG11)
assign (resid 75 and name HG22) (resid 75 and name HG21) 1.304 0.212 0.212 weight 1.000 ! spec=HCH, no=2462, id=5440, vol=2.610000e+09
    or (resid 75 and name HG22) (resid 75 and name HG23)
    or (resid 75 and name HG22) (resid 75 and name HG21)
    or (resid 75 and name HG21) (resid 75 and name HG23)
    or (resid 75 and name HG22) (resid 75 and name HG23)
    or (resid 75 and name HG21) (resid 75 and name HG23)
assign (resid 75 and name HG22) (resid 76 and name HN) 2.790 0.973 0.973 weight 1.000 ! spec=HCH, no=2463, id=5441, vol=2.720000e+07
    or (resid 75 and name HG21) (resid 76 and name HN)
    or (resid 75 and name HG23) (resid 76 and name HN)
assign (resid 75 and name HG22) (resid 76 and name HA) 2.956 1.092 1.092 weight 1.000 ! spec=HCH, no=2464, id=5442, vol=1.920000e+07
    or (resid 75 and name HG21) (resid 76 and name HA)
    or (resid 75 and name HG23) (resid 76 and name HA)
assign (resid 76 and name HA) (resid 76 and name HB2) 2.565 0.822 0.822 weight 1.000 ! spec=HCH, no=2466, id=5444, vol=4.500000e+07
assign (resid 79 and name HN) (resid 76 and name HA) 3.165 1.252 1.252 weight 1.000 ! spec=HCH, no=2467, id=5445, vol=1.280000e+07
assign (resid 78 and name HN) (resid 76 and name HA) 3.378 1.426 1.426 weight 1.000 ! spec=HCH, no=2468, id=5446, vol=8.630000e+06
assign (resid 76 and name HA) (resid 76 and name HG) 2.504 0.784 0.784 weight 1.000 ! spec=HCH, no=2471, id=5448, vol=5.200000e+07
assign (resid 76 and name HB2) (resid 73 and name HA) 2.970 1.102 1.102 weight 1.000 ! spec=HCH, no=2477, id=5454, vol=1.870000e+07
assign (resid 76 and name HB1) (resid 73 and name HA) 2.867 1.027 1.027 weight 1.000 ! spec=HCH, no=2480, id=5457, vol=2.310000e+07
assign (resid 76 and name HN) (resid 76 and name HB2) 2.818 0.993 0.993 weight 1.000 ! spec=HCH, no=2481, id=5458, vol=2.560000e+07
assign (resid 76 and name HB1) (resid 76 and name HA) 2.844 1.011 1.011 weight 1.000 ! spec=HCH, no=2484, id=5461, vol=2.420000e+07
assign (resid 76 and name HB1) (resid 76 and name HB2) 2.128 0.566 0.566 weight 1.000 ! spec=HCH, no=2487, id=5463, vol=1.380000e+08
assign (resid 76 and name HB2) (resid 76 and name HD12) 2.554 0.815 0.815 weight 1.000 ! spec=HCH, no=2488, id=5464, vol=4.620000e+07
    or (resid 76 and name HB2) (resid 76 and name HD11)
    or (resid 76 and name HB2) (resid 76 and name HD13)
assign (resid 76 and name HB1) (resid 76 and name HD12) 2.644 0.874 0.874 weight 1.000 ! spec=HCH, no=2489, id=5465, vol=3.750000e+07
    or (resid 76 and name HB1) (resid 76 and name HD11)
    or (resid 76 and name HB1) (resid 76 and name HD13)
assign (resid 76 and name HB2) (resid 133 and name HA) 3.483 1.516 1.516 weight 1.000 ! spec=HCH, no=2492, id=5468, vol=7.180000e+06
assign (resid 76 and name HD12) (resid 72 and name HD21) 2.896 1.049 1.049 weight 1.000 ! spec=HCH, no=2504, id=5477, vol=2.170000e+07
    or (resid 76 and name HD11) (resid 72 and name HD21)
    or (resid 76 and name HD13) (resid 72 and name HD21)
assign (resid 76 and name HD12) (resid 138 and name HE1) 3.674 1.688 1.688 weight 1.000 ! spec=HCH, no=2507, id=5480, vol=5.210000e+06
    or (resid 76 and name HD11) (resid 138 and name HE1)
    or (resid 76 and name HD13) (resid 138 and name HE1)
assign (resid 76 and name HD12) (resid 72 and name HD22) 3.130 1.225 1.225 weight 1.000 ! spec=HCH, no=2508, id=5481, vol=1.360000e+07
    or (resid 76 and name HD11) (resid 72 and name HD22)
    or (resid 76 and name HD13) (resid 72 and name HD22)
assign (resid 76 and name HA) (resid 76 and name HD12) 2.210 0.610 0.610 weight 1.000 ! spec=HCH, no=2512, id=5484, vol=1.100000e+08
    or (resid 76 and name HA) (resid 76 and name HD11)
    or (resid 76 and name HA) (resid 76 and name HD13)
assign (resid 76 and name HD12) (resid 76 and name HN) 2.801 0.981 0.981 weight 1.000 ! spec=HCH, no=2517, id=5488, vol=2.650000e+07
    or (resid 76 and name HD11) (resid 76 and name HN)
    or (resid 76 and name HD13) (resid 76 and name HN)
assign (resid 76 and name HD12) (resid 76 and name HG) 2.105 0.554 0.554 weight 1.000 ! spec=HCH, no=2519, id=5490, vol=1.470000e+08
    or (resid 76 and name HD11) (resid 76 and name HG)
    or (resid 76 and name HD13) (resid 76 and name HG)
assign (resid 76 and name HD12) (resid 76 and name HD11) 1.139 0.162 0.162 weight 1.000 ! spec=HCH, no=2520, id=5491, vol=5.860000e+09
    or (resid 76 and name HD12) (resid 76 and name HD13)
    or (resid 76 and name HD12) (resid 76 and name HD11)
    or (resid 76 and name HD11) (resid 76 and name HD13)
    or (resid 76 and name HD12) (resid 76 and name HD13)
    or (resid 76 and name HD11) (resid 76 and name HD13)
assign (resid 76 and name HD12) (resid 89 and name HN) 3.728 1.738 1.738 weight 1.000 ! spec=HCH, no=2521, id=5492, vol=4.770000e+06
    or (resid 76 and name HD11) (resid 89 and name HN)
    or (resid 76 and name HD13) (resid 89 and name HN)
assign (resid 76 and name HD12) (resid 131 and name HG) 2.365 0.699 0.699 weight 1.000 ! spec=HCH, no=2522, id=5493, vol=7.320000e+07
    or (resid 76 and name HD11) (resid 131 and name HG)
    or (resid 76 and name HD13) (resid 131 and name HG)
assign (resid 76 and name HD12) (resid 131 and name HD22) 2.068 0.535 0.535 weight 1.000 ! spec=HCH, no=2523, id=5494, vol=1.640000e+08
    or (resid 76 and name HD12) (resid 131 and name HD21)
    or (resid 76 and name HD12) (resid 131 and name HD23)
    or (resid 76 and name HD11) (resid 131 and name HD22)
    or (resid 76 and name HD11) (resid 131 and name HD21)
    or (resid 76 and name HD11) (resid 131 and name HD23)
    or (resid 76 and name HD13) (resid 131 and name HD22)
    or (resid 76 and name HD13) (resid 131 and name HD21)
    or (resid 76 and name HD13) (resid 131 and name HD23)
assign (resid 76 and name HD12) (resid 132 and name HN) 3.481 1.515 1.515 weight 1.000 ! spec=HCH, no=2524, id=5495, vol=7.200000e+06
    or (resid 76 and name HD11) (resid 132 and name HN)
    or (resid 76 and name HD13) (resid 132 and name HN)
assign (resid 76 and name HD12) (resid 133 and name HN) 3.151 1.241 1.241 weight 1.000 ! spec=HCH, no=2525, id=5496, vol=1.310000e+07
    or (resid 76 and name HD11) (resid 133 and name HN)
    or (resid 76 and name HD13) (resid 133 and name HN)
assign (resid 76 and name HD12) (resid 133 and name HA) 2.103 0.553 0.553 weight 1.000 ! spec=HCH, no=2526, id=5497, vol=1.480000e+08
    or (resid 76 and name HD11) (resid 133 and name HA)
    or (resid 76 and name HD13) (resid 133 and name HA)
assign (resid 76 and name HD12) (resid 136 and name HA2) 2.107 0.555 0.555 weight 1.000 ! spec=HCH, no=2528, id=5499, vol=1.460000e+08
    or (resid 76 and name HD11) (resid 136 and name HA2)
    or (resid 76 and name HD13) (resid 136 and name HA2)
assign (resid 76 and name HD12) (resid 136 and name HA1) 2.437 0.742 0.742 weight 1.000 ! spec=HCH, no=2529, id=5500, vol=6.120000e+07
    or (resid 76 and name HD11) (resid 136 and name HA1)
    or (resid 76 and name HD13) (resid 136 and name HA1)
assign (resid 76 and name HD12) (resid 137 and name HN) 3.423 1.465 1.465 weight 1.000 ! spec=HCH, no=2530, id=5501, vol=7.970000e+06
    or (resid 76 and name HD11) (resid 137 and name HN)
    or (resid 76 and name HD13) (resid 137 and name HN)
assign (resid 76 and name HD12) (resid 138 and name HZ2) 3.959 1.959 1.959 weight 1.000 ! spec=HCH, no=2532, id=5503, vol=3.330000e+06
    or (resid 76 and name HD11) (resid 138 and name HZ2)
    or (resid 76 and name HD13) (resid 138 and name HZ2)
assign (resid 76 and name HD22) (resid 72 and name HD21) 2.636 0.869 0.869 weight 1.000 ! spec=HCH, no=2535, id=5506, vol=3.820000e+07
    or (resid 76 and name HD21) (resid 72 and name HD21)
    or (resid 76 and name HD23) (resid 72 and name HD21)
assign (resid 73 and name HA) (resid 76 and name HD22) 2.483 0.771 0.771 weight 1.000 ! spec=HCH, no=2536, id=5507, vol=5.470000e+07
    or (resid 73 and name HA) (resid 76 and name HD21)
    or (resid 73 and name HA) (resid 76 and name HD23)
assign (resid 76 and name HD22) (resid 72 and name HD22) 2.774 0.962 0.962 weight 1.000 ! spec=HCH, no=2538, id=5509, vol=2.820000e+07
    or (resid 76 and name HD21) (resid 72 and name HD22)
    or (resid 76 and name HD23) (resid 72 and name HD22)
assign (resid 76 and name HD22) (resid 133 and name HN) 3.428 1.469 1.469 weight 1.000 ! spec=HCH, no=2540, id=5510, vol=7.900000e+06
    or (resid 76 and name HD21) (resid 133 and name HN)
    or (resid 76 and name HD23) (resid 133 and name HN)
assign (resid 73 and name HN) (resid 76 and name HD22) 3.575 1.598 1.598 weight 1.000 ! spec=HCH, no=2541, id=5511, vol=6.140000e+06
    or (resid 73 and name HN) (resid 76 and name HD21)
    or (resid 73 and name HN) (resid 76 and name HD23)
assign (resid 76 and name HD22) (resid 76 and name HB2) 2.308 0.666 0.666 weight 1.000 ! spec=HCH, no=2544, id=5514, vol=8.490000e+07
    or (resid 76 and name HD21) (resid 76 and name HB2)
    or (resid 76 and name HD23) (resid 76 and name HB2)
assign (resid 135 and name HN) (resid 76 and name HD22) 3.359 1.410 1.410 weight 1.000 ! spec=HCH, no=2547, id=5516, vol=8.930000e+06
    or (resid 135 and name HN) (resid 76 and name HD21)
    or (resid 135 and name HN) (resid 76 and name HD23)
assign (resid 76 and name HD22) (resid 72 and name HB1) 3.613 1.632 1.632 weight 1.000 ! spec=HCH, no=2548, id=5517, vol=5.770000e+06
    or (resid 76 and name HD21) (resid 72 and name HB1)
    or (resid 76 and name HD23) (resid 72 and name HB1)
assign (resid 76 and name HD22) (resid 76 and name HA) 2.688 0.903 0.903 weight 1.000 ! spec=HCH, no=2553, id=5521, vol=3.400000e+07
    or (resid 76 and name HD21) (resid 76 and name HA)
    or (resid 76 and name HD23) (resid 76 and name HA)
assign (resid 76 and name HD22) (resid 76 and name HB1) 2.202 0.606 0.606 weight 1.000 ! spec=HCH, no=2554, id=5522, vol=1.130000e+08
    or (resid 76 and name HD21) (resid 76 and name HB1)
    or (resid 76 and name HD23) (resid 76 and name HB1)
assign (resid 76 and name HD22) (resid 76 and name HG) 2.222 0.617 0.617 weight 1.000 ! spec=HCH, no=2555, id=5523, vol=1.060000e+08
    or (resid 76 and name HD21) (resid 76 and name HG)
    or (resid 76 and name HD23) (resid 76 and name HG)
assign (resid 76 and name HD22) (resid 76 and name HD21) 1.216 0.185 0.185 weight 1.000 ! spec=HCH, no=2556, id=5524, vol=3.970000e+09
    or (resid 76 and name HD22) (resid 76 and name HD23)
    or (resid 76 and name HD22) (resid 76 and name HD21)
    or (resid 76 and name HD21) (resid 76 and name HD23)
    or (resid 76 and name HD22) (resid 76 and name HD23)
    or (resid 76 and name HD21) (resid 76 and name HD23)
assign (resid 76 and name HD22) (resid 132 and name HN) 4.071 2.072 2.072 weight 1.000 ! spec=HCH, no=2557, id=5525, vol=2.820000e+06
    or (resid 76 and name HD21) (resid 132 and name HN)
    or (resid 76 and name HD23) (resid 132 and name HN)
assign (resid 76 and name HD22) (resid 135 and name HA) 3.674 1.687 1.687 weight 1.000 ! spec=HCH, no=2560, id=5528, vol=5.210000e+06
    or (resid 76 and name HD21) (resid 135 and name HA)
    or (resid 76 and name HD23) (resid 135 and name HA)
assign (resid 76 and name HD22) (resid 136 and name HA2) 2.312 0.668 0.668 weight 1.000 ! spec=HCH, no=2562, id=5530, vol=8.390000e+07
    or (resid 76 and name HD21) (resid 136 and name HA2)
    or (resid 76 and name HD23) (resid 136 and name HA2)
assign (resid 76 and name HD22) (resid 136 and name HA1) 2.433 0.740 0.740 weight 1.000 ! spec=HCH, no=2563, id=5531, vol=6.190000e+07
    or (resid 76 and name HD21) (resid 136 and name HA1)
    or (resid 76 and name HD23) (resid 136 and name HA1)
assign (resid 76 and name HG) (resid 72 and name HD22) 3.871 1.873 1.873 weight 1.000 ! spec=HCH, no=2566, id=5534, vol=3.810000e+06
assign (resid 76 and name HG) (resid 76 and name HB2) 2.673 0.893 0.893 weight 1.000 ! spec=HCH, no=2569, id=5537, vol=3.520000e+07
assign (resid 76 and name HG) (resid 77 and name HN) 3.426 1.468 1.468 weight 1.000 ! spec=HCH, no=2570, id=5538, vol=7.920000e+06
assign (resid 76 and name HG) (resid 131 and name HD22) 3.015 1.136 1.136 weight 1.000 ! spec=HCH, no=2572, id=5540, vol=1.710000e+07
    or (resid 76 and name HG) (resid 131 and name HD21)
    or (resid 76 and name HG) (resid 131 and name HD23)
assign (resid 77 and name HA) (resid 80 and name HB2) 2.490 0.775 0.775 weight 1.000 ! spec=HCH, no=2573, id=5541, vol=5.380000e+07
assign (resid 77 and name HA) (resid 81 and name HN) 3.333 1.389 1.389 weight 1.000 ! spec=HCH, no=2576, id=5544, vol=9.360000e+06
assign (resid 77 and name HA) (resid 80 and name HE2) 3.080 1.186 1.186 weight 1.000 ! spec=HCH, no=2579, id=5547, vol=1.500000e+07
    or (resid 77 and name HA) (resid 80 and name HE1)
assign (resid 77 and name HA) (resid 76 and name HD22) 3.674 1.687 1.687 weight 1.000 ! spec=HCH, no=2581, id=5549, vol=5.220000e+06
    or (resid 77 and name HA) (resid 76 and name HD21)
    or (resid 77 and name HA) (resid 76 and name HD23)
assign (resid 77 and name HA) (resid 77 and name HB2) 2.463 0.759 0.759 weight 1.000 ! spec=HCH, no=2586, id=5554, vol=5.740000e+07
assign (resid 77 and name HA) (resid 77 and name HB1) 2.360 0.696 0.696 weight 1.000 ! spec=HCH, no=2587, id=5555, vol=7.430000e+07
assign (resid 78 and name HN) (resid 77 and name HA) 2.841 1.009 1.009 weight 1.000 ! spec=HCH, no=2588, id=5556, vol=2.440000e+07
assign (resid 77 and name HA) (resid 78 and name HA) 3.537 1.564 1.564 weight 1.000 ! spec=HCH, no=2589, id=5557, vol=6.550000e+06
assign (resid 80 and name HN) (resid 77 and name HA) 2.835 1.005 1.005 weight 1.000 ! spec=HCH, no=2590, id=5558, vol=2.470000e+07
assign (resid 77 and name HA) (resid 133 and name HD12) 3.692 1.704 1.704 weight 1.000 ! spec=HCH, no=2591, id=5559, vol=5.060000e+06
    or (resid 77 and name HA) (resid 133 and name HD11)
    or (resid 77 and name HA) (resid 133 and name HD13)
assign (resid 77 and name HB2) (resid 81 and name HB1) 3.441 1.480 1.480 weight 1.000 ! spec=HCH, no=2593, id=5561, vol=7.720000e+06
assign (resid 77 and name HB2) (resid 78 and name HA) 3.902 1.903 1.903 weight 1.000 ! spec=HCH, no=2597, id=5565, vol=3.640000e+06
assign (resid 74 and name HA) (resid 77 and name HB1) 2.864 1.026 1.026 weight 1.000 ! spec=HCH, no=2605, id=5573, vol=2.320000e+07
assign (resid 77 and name HB1) (resid 77 and name HB2) 1.956 0.478 0.478 weight 1.000 ! spec=HCH, no=2614, id=5581, vol=2.290000e+08
assign (resid 78 and name HN) (resid 77 and name HB2) 2.789 0.973 0.973 weight 1.000 ! spec=HCH, no=2615, id=5582, vol=2.720000e+07
assign (resid 78 and name HA) (resid 81 and name HG1) 3.473 1.508 1.508 weight 1.000 ! spec=HCH, no=2617, id=5584, vol=7.310000e+06
assign (resid 78 and name HA) (resid 77 and name HB1) 4.124 2.126 2.126 weight 1.000 ! spec=HCH, no=2621, id=5588, vol=2.600000e+06
assign (resid 78 and name HA) (resid 81 and name HB2) 2.812 0.989 0.989 weight 1.000 ! spec=HCH, no=2622, id=5589, vol=2.590000e+07
assign (resid 78 and name HA) (resid 78 and name HB) 2.523 0.796 0.796 weight 1.000 ! spec=HCH, no=2625, id=5591, vol=4.970000e+07
assign (resid 78 and name HA) (resid 78 and name HG21) 2.481 0.769 0.769 weight 1.000 ! spec=HCH, no=2626, id=5592, vol=5.500000e+07
    or (resid 78 and name HA) (resid 78 and name HG22)
    or (resid 78 and name HA) (resid 78 and name HG23)
assign (resid 82 and name HN) (resid 78 and name HA) 3.283 1.347 1.347 weight 1.000 ! spec=HCH, no=2629, id=5595, vol=1.020000e+07
assign (resid 75 and name HN) (resid 78 and name HB) 3.601 1.621 1.621 weight 1.000 ! spec=HCH, no=2632, id=5598, vol=5.880000e+06
assign (resid 30 and name HG12) (resid 78 and name HG21) 3.419 1.461 1.461 weight 1.000 ! spec=HCH, no=2639, id=5604, vol=8.030000e+06
    or (resid 30 and name HG12) (resid 78 and name HG22)
    or (resid 30 and name HG12) (resid 78 and name HG23)
assign (resid 78 and name HG21) (resid 79 and name HA) 3.693 1.705 1.705 weight 1.000 ! spec=HCH, no=2640, id=5605, vol=5.060000e+06
    or (resid 78 and name HG22) (resid 79 and name HA)
    or (resid 78 and name HG23) (resid 79 and name HA)
assign (resid 78 and name HG21) (resid 30 and name HB) 3.111 1.209 1.209 weight 1.000 ! spec=HCH, no=2641, id=5606, vol=1.420000e+07
    or (resid 78 and name HG22) (resid 30 and name HB)
    or (resid 78 and name HG23) (resid 30 and name HB)
assign (resid 78 and name HG21) (resid 82 and name HA) 3.852 1.855 1.855 weight 1.000 ! spec=HCH, no=2642, id=5607, vol=3.920000e+06
    or (resid 78 and name HG22) (resid 82 and name HA)
    or (resid 78 and name HG23) (resid 82 and name HA)
assign (resid 81 and name HN) (resid 78 and name HG21) 3.733 1.742 1.742 weight 1.000 ! spec=HCH, no=2644, id=5609, vol=4.740000e+06
    or (resid 81 and name HN) (resid 78 and name HG22)
    or (resid 81 and name HN) (resid 78 and name HG23)
assign (resid 78 and name HG21) (resid 37 and name HD1) 3.732 1.741 1.741 weight 1.000 ! spec=HCH, no=2649, id=5613, vol=4.750000e+06
    or (resid 78 and name HG22) (resid 37 and name HD1)
    or (resid 78 and name HG23) (resid 37 and name HD1)
assign (resid 78 and name HG21) (resid 74 and name HZ) 3.426 1.467 1.467 weight 1.000 ! spec=HCH, no=2651, id=5615, vol=7.930000e+06
    or (resid 78 and name HG22) (resid 74 and name HZ)
    or (resid 78 and name HG23) (resid 74 and name HZ)
assign (resid 78 and name HB) (resid 78 and name HG21) 2.528 0.799 0.799 weight 1.000 ! spec=HCH, no=2654, id=5618, vol=4.920000e+07
    or (resid 78 and name HB) (resid 78 and name HG22)
    or (resid 78 and name HB) (resid 78 and name HG23)
assign (resid 78 and name HG21) (resid 78 and name HG22) 1.549 0.300 0.300 weight 1.000 ! spec=HCH, no=2655, id=5619, vol=9.290000e+08
    or (resid 78 and name HG21) (resid 78 and name HG23)
    or (resid 78 and name HG21) (resid 78 and name HG22)
    or (resid 78 and name HG22) (resid 78 and name HG23)
    or (resid 78 and name HG21) (resid 78 and name HG23)
    or (resid 78 and name HG22) (resid 78 and name HG23)
assign (resid 78 and name HG21) (resid 82 and name HB2) 2.976 1.107 1.107 weight 1.000 ! spec=HCH, no=2656, id=5620, vol=1.850000e+07
    or (resid 78 and name HG22) (resid 82 and name HB2)
    or (resid 78 and name HG23) (resid 82 and name HB2)
assign (resid 78 and name HG21) (resid 82 and name HB1) 2.838 1.007 1.007 weight 1.000 ! spec=HCH, no=2657, id=5621, vol=2.450000e+07
    or (resid 78 and name HG22) (resid 82 and name HB1)
    or (resid 78 and name HG23) (resid 82 and name HB1)
assign (resid 79 and name HA) (resid 79 and name HG) 2.923 1.068 1.068 weight 1.000 ! spec=HCH, no=2662, id=5626, vol=2.060000e+07
assign (resid 79 and name HA) (resid 79 and name HB2) 2.751 0.946 0.946 weight 1.000 ! spec=HCH, no=2665, id=5628, vol=2.960000e+07
assign (resid 79 and name HA) (resid 79 and name HB1) 2.925 1.070 1.070 weight 1.000 ! spec=HCH, no=2666, id=5629, vol=2.050000e+07
assign (resid 79 and name HA) (resid 79 and name HD22) 3.028 1.146 1.146 weight 1.000 ! spec=HCH, no=2668, id=5631, vol=1.660000e+07
    or (resid 79 and name HA) (resid 79 and name HD21)
    or (resid 79 and name HA) (resid 79 and name HD23)
assign (resid 83 and name HN) (resid 79 and name HA) 3.100 1.201 1.201 weight 1.000 ! spec=HCH, no=2669, id=5632, vol=1.450000e+07
assign (resid 79 and name HA) (resid 83 and name HB2) 2.557 0.817 0.817 weight 1.000 ! spec=HCH, no=2671, id=5634, vol=4.590000e+07
assign (resid 79 and name HB2) (resid 79 and name HG) 2.947 1.085 1.085 weight 1.000 ! spec=HCH, no=2672, id=5635, vol=1.960000e+07
assign (resid 79 and name HB1) (resid 81 and name HN) 3.552 1.577 1.577 weight 1.000 ! spec=HCH, no=2673, id=5636, vol=6.380000e+06
assign (resid 79 and name HB1) (resid 85 and name HA1) 3.612 1.631 1.631 weight 1.000 ! spec=HCH, no=2675, id=5638, vol=5.780000e+06
assign (resid 79 and name HB1) (resid 76 and name HA) 3.303 1.363 1.363 weight 1.000 ! spec=HCH, no=2676, id=5639, vol=9.880000e+06
assign (resid 79 and name HB1) (resid 79 and name HB2) 2.355 0.693 0.693 weight 1.000 ! spec=HCH, no=2681, id=5644, vol=7.530000e+07
assign (resid 79 and name HB1) (resid 80 and name HN) 3.287 1.351 1.351 weight 1.000 ! spec=HCH, no=2687, id=5650, vol=1.020000e+07
assign (resid 83 and name HN) (resid 79 and name HD12) 3.151 1.241 1.241 weight 1.000 ! spec=HCH, no=2691, id=5654, vol=1.310000e+07
    or (resid 83 and name HN) (resid 79 and name HD11)
    or (resid 83 and name HN) (resid 79 and name HD13)
assign (resid 79 and name HD12) (resid 86 and name HB1) 3.569 1.592 1.592 weight 1.000 ! spec=HCH, no=2693, id=5656, vol=6.210000e+06
    or (resid 79 and name HD11) (resid 86 and name HB1)
    or (resid 79 and name HD13) (resid 86 and name HB1)
assign (resid 78 and name HG21) (resid 79 and name HD12) 3.135 1.229 1.229 weight 1.000 ! spec=HCH, no=2709, id=5671, vol=1.350000e+07
    or (resid 78 and name HG21) (resid 79 and name HD11)
    or (resid 78 and name HG21) (resid 79 and name HD13)
    or (resid 78 and name HG22) (resid 79 and name HD12)
    or (resid 78 and name HG22) (resid 79 and name HD11)
    or (resid 78 and name HG22) (resid 79 and name HD13)
    or (resid 78 and name HG23) (resid 79 and name HD12)
    or (resid 78 and name HG23) (resid 79 and name HD11)
    or (resid 78 and name HG23) (resid 79 and name HD13)
assign (resid 79 and name HD12) (resid 39 and name HD1) 2.787 0.971 0.971 weight 1.000 ! spec=HCH, no=2712, id=5674, vol=2.740000e+07
    or (resid 79 and name HD11) (resid 39 and name HD1)
    or (resid 79 and name HD13) (resid 39 and name HD1)
assign (resid 79 and name HN) (resid 79 and name HD12) 2.852 1.017 1.017 weight 1.000 ! spec=HCH, no=2713, id=5675, vol=2.380000e+07
    or (resid 79 and name HN) (resid 79 and name HD11)
    or (resid 79 and name HN) (resid 79 and name HD13)
assign (resid 79 and name HA) (resid 79 and name HD12) 2.190 0.600 0.600 weight 1.000 ! spec=HCH, no=2714, id=5676, vol=1.160000e+08
    or (resid 79 and name HA) (resid 79 and name HD11)
    or (resid 79 and name HA) (resid 79 and name HD13)
assign (resid 79 and name HB2) (resid 79 and name HD12) 2.354 0.693 0.693 weight 1.000 ! spec=HCH, no=2715, id=5677, vol=7.530000e+07
    or (resid 79 and name HB2) (resid 79 and name HD11)
    or (resid 79 and name HB2) (resid 79 and name HD13)
assign (resid 79 and name HB1) (resid 79 and name HD12) 2.549 0.812 0.812 weight 1.000 ! spec=HCH, no=2716, id=5678, vol=4.680000e+07
    or (resid 79 and name HB1) (resid 79 and name HD11)
    or (resid 79 and name HB1) (resid 79 and name HD13)
assign (resid 79 and name HD12) (resid 79 and name HG) 2.225 0.619 0.619 weight 1.000 ! spec=HCH, no=2717, id=5679, vol=1.060000e+08
    or (resid 79 and name HD11) (resid 79 and name HG)
    or (resid 79 and name HD13) (resid 79 and name HG)
assign (resid 79 and name HD12) (resid 79 and name HD11) 1.303 0.212 0.212 weight 1.000 ! spec=HCH, no=2718, id=5680, vol=2.620000e+09
    or (resid 79 and name HD12) (resid 79 and name HD13)
    or (resid 79 and name HD12) (resid 79 and name HD11)
    or (resid 79 and name HD11) (resid 79 and name HD13)
    or (resid 79 and name HD12) (resid 79 and name HD13)
    or (resid 79 and name HD11) (resid 79 and name HD13)
assign (resid 79 and name HD12) (resid 79 and name HD22) 1.914 0.458 0.458 weight 1.000 ! spec=HCH, no=2719, id=5681, vol=2.610000e+08
    or (resid 79 and name HD12) (resid 79 and name HD21)
    or (resid 79 and name HD12) (resid 79 and name HD23)
    or (resid 79 and name HD11) (resid 79 and name HD22)
    or (resid 79 and name HD11) (resid 79 and name HD21)
    or (resid 79 and name HD11) (resid 79 and name HD23)
    or (resid 79 and name HD13) (resid 79 and name HD22)
    or (resid 79 and name HD13) (resid 79 and name HD21)
    or (resid 79 and name HD13) (resid 79 and name HD23)
assign (resid 79 and name HD12) (resid 81 and name HN) 3.743 1.751 1.751 weight 1.000 ! spec=HCH, no=2721, id=5683, vol=4.660000e+06
    or (resid 79 and name HD11) (resid 81 and name HN)
    or (resid 79 and name HD13) (resid 81 and name HN)
assign (resid 79 and name HD12) (resid 83 and name HB2) 2.336 0.682 0.682 weight 1.000 ! spec=HCH, no=2722, id=5684, vol=7.890000e+07
    or (resid 79 and name HD11) (resid 83 and name HB2)
    or (resid 79 and name HD13) (resid 83 and name HB2)
assign (resid 79 and name HD12) (resid 86 and name HD2) 2.781 0.967 0.967 weight 1.000 ! spec=HCH, no=2725, id=5687, vol=2.770000e+07
    or (resid 79 and name HD11) (resid 86 and name HD2)
    or (resid 79 and name HD13) (resid 86 and name HD2)
assign (resid 79 and name HD12) (resid 89 and name HN) 4.043 2.043 2.043 weight 1.000 ! spec=HCH, no=2726, id=5688, vol=2.940000e+06
    or (resid 79 and name HD11) (resid 89 and name HN)
    or (resid 79 and name HD13) (resid 89 and name HN)
assign (resid 79 and name HD12) (resid 89 and name HG22) 2.458 0.755 0.755 weight 1.000 ! spec=HCH, no=2727, id=5689, vol=5.810000e+07
    or (resid 79 and name HD12) (resid 89 and name HG21)
    or (resid 79 and name HD12) (resid 89 and name HG23)
    or (resid 79 and name HD11) (resid 89 and name HG22)
    or (resid 79 and name HD11) (resid 89 and name HG21)
    or (resid 79 and name HD11) (resid 89 and name HG23)
    or (resid 79 and name HD13) (resid 89 and name HG22)
    or (resid 79 and name HD13) (resid 89 and name HG21)
    or (resid 79 and name HD13) (resid 89 and name HG23)
assign (resid 79 and name HD12) (resid 152 and name HA) 4.123 2.125 2.125 weight 1.000 ! spec=HCH, no=2728, id=5690, vol=2.610000e+06
    or (resid 79 and name HD11) (resid 152 and name HA)
    or (resid 79 and name HD13) (resid 152 and name HA)
assign (resid 79 and name HD22) (resid 83 and name HB2) 3.233 1.307 1.307 weight 1.000 ! spec=HCH, no=2729, id=5691, vol=1.120000e+07
    or (resid 79 and name HD22) (resid 83 and name HB1)
    or (resid 79 and name HD21) (resid 83 and name HB2)
    or (resid 79 and name HD21) (resid 83 and name HB1)
    or (resid 79 and name HD23) (resid 83 and name HB2)
    or (resid 79 and name HD23) (resid 83 and name HB1)
assign (resid 79 and name HB1) (resid 79 and name HD22) 2.511 0.788 0.788 weight 1.000 ! spec=HCH, no=2730, id=5692, vol=5.110000e+07
    or (resid 79 and name HB1) (resid 79 and name HD21)
    or (resid 79 and name HB1) (resid 79 and name HD23)
assign (resid 79 and name HD22) (resid 83 and name HZ3) 3.607 1.627 1.627 weight 1.000 ! spec=HCH, no=2731, id=5693, vol=5.820000e+06
    or (resid 79 and name HD21) (resid 83 and name HZ3)
    or (resid 79 and name HD23) (resid 83 and name HZ3)
assign (resid 79 and name HD22) (resid 78 and name HG21) 3.621 1.639 1.639 weight 1.000 ! spec=HCH, no=2735, id=5697, vol=5.690000e+06
    or (resid 79 and name HD22) (resid 78 and name HG22)
    or (resid 79 and name HD22) (resid 78 and name HG23)
    or (resid 79 and name HD21) (resid 78 and name HG21)
    or (resid 79 and name HD21) (resid 78 and name HG22)
    or (resid 79 and name HD21) (resid 78 and name HG23)
    or (resid 79 and name HD23) (resid 78 and name HG21)
    or (resid 79 and name HD23) (resid 78 and name HG22)
    or (resid 79 and name HD23) (resid 78 and name HG23)
assign (resid 79 and name HD22) (resid 76 and name HA) 2.840 1.008 1.008 weight 1.000 ! spec=HCH, no=2736, id=5698, vol=2.440000e+07
    or (resid 79 and name HD21) (resid 76 and name HA)
    or (resid 79 and name HD23) (resid 76 and name HA)
assign (resid 79 and name HD22) (resid 76 and name HN) 3.558 1.583 1.583 weight 1.000 ! spec=HCH, no=2738, id=5700, vol=6.320000e+06
    or (resid 79 and name HD21) (resid 76 and name HN)
    or (resid 79 and name HD23) (resid 76 and name HN)
assign (resid 79 and name HD22) (resid 75 and name HN) 3.720 1.730 1.730 weight 1.000 ! spec=HCH, no=2740, id=5701, vol=4.840000e+06
    or (resid 79 and name HD21) (resid 75 and name HN)
    or (resid 79 and name HD23) (resid 75 and name HN)
assign (resid 79 and name HD22) (resid 78 and name HB) 3.711 1.722 1.722 weight 1.000 ! spec=HCH, no=2741, id=5702, vol=4.910000e+06
    or (resid 79 and name HD21) (resid 78 and name HB)
    or (resid 79 and name HD23) (resid 78 and name HB)
assign (resid 79 and name HB2) (resid 79 and name HD22) 2.543 0.809 0.809 weight 1.000 ! spec=HCH, no=2744, id=5705, vol=4.740000e+07
    or (resid 79 and name HB2) (resid 79 and name HD21)
    or (resid 79 and name HB2) (resid 79 and name HD23)
assign (resid 79 and name HD22) (resid 79 and name HG) 2.241 0.628 0.628 weight 1.000 ! spec=HCH, no=2745, id=5706, vol=1.010000e+08
    or (resid 79 and name HD21) (resid 79 and name HG)
    or (resid 79 and name HD23) (resid 79 and name HG)
assign (resid 79 and name HD22) (resid 79 and name HD21) 1.463 0.268 0.268 weight 1.000 ! spec=HCH, no=2747, id=5708, vol=1.310000e+09
    or (resid 79 and name HD22) (resid 79 and name HD23)
    or (resid 79 and name HD22) (resid 79 and name HD21)
    or (resid 79 and name HD21) (resid 79 and name HD23)
    or (resid 79 and name HD22) (resid 79 and name HD23)
    or (resid 79 and name HD21) (resid 79 and name HD23)
assign (resid 79 and name HD22) (resid 86 and name HD2) 3.360 1.411 1.411 weight 1.000 ! spec=HCH, no=2748, id=5709, vol=8.920000e+06
    or (resid 79 and name HD21) (resid 86 and name HD2)
    or (resid 79 and name HD23) (resid 86 and name HD2)
assign (resid 79 and name HD22) (resid 89 and name HG12) 2.831 1.002 1.002 weight 1.000 ! spec=HCH, no=2749, id=5710, vol=2.490000e+07
    or (resid 79 and name HD21) (resid 89 and name HG12)
    or (resid 79 and name HD23) (resid 89 and name HG12)
assign (resid 79 and name HD22) (resid 89 and name HG22) 2.505 0.784 0.784 weight 1.000 ! spec=HCH, no=2750, id=5711, vol=5.190000e+07
    or (resid 79 and name HD22) (resid 89 and name HG21)
    or (resid 79 and name HD22) (resid 89 and name HG23)
    or (resid 79 and name HD21) (resid 89 and name HG22)
    or (resid 79 and name HD21) (resid 89 and name HG21)
    or (resid 79 and name HD21) (resid 89 and name HG23)
    or (resid 79 and name HD23) (resid 89 and name HG22)
    or (resid 79 and name HD23) (resid 89 and name HG21)
    or (resid 79 and name HD23) (resid 89 and name HG23)
assign (resid 79 and name HG) (resid 76 and name HA) 3.723 1.732 1.732 weight 1.000 ! spec=HCH, no=2752, id=5713, vol=4.820000e+06
assign (resid 79 and name HG) (resid 83 and name HB2) 3.632 1.649 1.649 weight 1.000 ! spec=HCH, no=2754, id=5715, vol=5.580000e+06
    or (resid 79 and name HG) (resid 83 and name HB1)
assign (resid 79 and name HN) (resid 79 and name HG) 3.149 1.239 1.239 weight 1.000 ! spec=HCH, no=2756, id=5717, vol=1.320000e+07
assign (resid 80 and name HA) (resid 80 and name HE2) 3.335 1.390 1.390 weight 1.000 ! spec=HCH, no=2761, id=5721, vol=9.320000e+06
    or (resid 80 and name HA) (resid 80 and name HE1)
assign (resid 80 and name HA) (resid 80 and name HG2) 2.445 0.748 0.748 weight 1.000 ! spec=HCH, no=2765, id=5725, vol=6.000000e+07
assign (resid 80 and name HA) (resid 79 and name HN) 3.703 1.714 1.714 weight 1.000 ! spec=HCH, no=2771, id=5731, vol=4.970000e+06
assign (resid 80 and name HN) (resid 80 and name HA) 2.608 0.850 0.850 weight 1.000 ! spec=HCH, no=2772, id=5732, vol=4.080000e+07
assign (resid 80 and name HA) (resid 80 and name HB2) 2.265 0.642 0.642 weight 1.000 ! spec=HCH, no=2774, id=5733, vol=9.480000e+07
assign (resid 80 and name HA) (resid 80 and name HB1) 2.286 0.653 0.653 weight 1.000 ! spec=HCH, no=2775, id=5734, vol=8.990000e+07
assign (resid 81 and name HN) (resid 80 and name HA) 2.926 1.070 1.070 weight 1.000 ! spec=HCH, no=2776, id=5735, vol=2.040000e+07
assign (resid 80 and name HB2) (resid 80 and name HD2) 2.215 0.613 0.613 weight 1.000 ! spec=HCH, no=2780, id=5739, vol=1.080000e+08
    or (resid 80 and name HB2) (resid 80 and name HD1)
assign (resid 80 and name HB1) (resid 80 and name HN) 2.771 0.960 0.960 weight 1.000 ! spec=HCH, no=2783, id=5742, vol=2.830000e+07
assign (resid 80 and name HB1) (resid 80 and name HE2) 3.249 1.319 1.319 weight 1.000 ! spec=HCH, no=2788, id=5746, vol=1.090000e+07
assign (resid 80 and name HB2) (resid 81 and name HN) 3.061 1.171 1.171 weight 1.000 ! spec=HCH, no=2789, id=5747, vol=1.560000e+07
assign (resid 80 and name HB1) (resid 81 and name HN) 3.033 1.150 1.150 weight 1.000 ! spec=HCH, no=2790, id=5748, vol=1.650000e+07
assign (resid 80 and name HB1) (resid 133 and name HG22) 3.191 1.273 1.273 weight 1.000 ! spec=HCH, no=2793, id=5751, vol=1.210000e+07
    or (resid 80 and name HB1) (resid 133 and name HG21)
    or (resid 80 and name HB1) (resid 133 and name HG23)
assign (resid 80 and name HD2) (resid 80 and name HE2) 2.395 0.717 0.717 weight 1.000 ! spec=HCH, no=2799, id=5756, vol=6.800000e+07
assign (resid 80 and name HD2) (resid 85 and name HA2) 3.255 1.324 1.324 weight 1.000 ! spec=HCH, no=2800, id=5757, vol=1.080000e+07
assign (resid 77 and name HA) (resid 80 and name HE2) 3.078 1.185 1.185 weight 1.000 ! spec=HCH, no=2803, id=5760, vol=1.510000e+07
assign (resid 80 and name HN) (resid 80 and name HE2) 3.230 1.304 1.304 weight 1.000 ! spec=HCH, no=2806, id=5763, vol=1.130000e+07
assign (resid 80 and name HB2) (resid 80 and name HE2) 2.526 0.798 0.798 weight 1.000 ! spec=HCH, no=2811, id=5768, vol=4.940000e+07
assign (resid 80 and name HE2) (resid 80 and name HG2) 2.538 0.805 0.805 weight 1.000 ! spec=HCH, no=2812, id=5769, vol=4.800000e+07
assign (resid 80 and name HE2) (resid 81 and name HN) 3.660 1.674 1.674 weight 1.000 ! spec=HCH, no=2815, id=5771, vol=5.330000e+06
assign (resid 80 and name HG1) (resid 80 and name HN) 3.019 1.139 1.139 weight 1.000 ! spec=HCH, no=2825, id=5781, vol=1.690000e+07
assign (resid 80 and name HG1) (resid 80 and name HA) 3.009 1.132 1.132 weight 1.000 ! spec=HCH, no=2827, id=5783, vol=1.730000e+07
assign (resid 80 and name HB2) (resid 80 and name HG2) 2.336 0.682 0.682 weight 1.000 ! spec=HCH, no=2828, id=5784, vol=7.890000e+07
assign (resid 80 and name HG1) (resid 80 and name HB2) 2.420 0.732 0.732 weight 1.000 ! spec=HCH, no=2829, id=5785, vol=6.380000e+07
assign (resid 80 and name HB1) (resid 80 and name HG2) 2.303 0.663 0.663 weight 1.000 ! spec=HCH, no=2830, id=5786, vol=8.600000e+07
assign (resid 80 and name HG1) (resid 80 and name HB1) 2.437 0.742 0.742 weight 1.000 ! spec=HCH, no=2831, id=5787, vol=6.130000e+07
assign (resid 80 and name HG1) (resid 80 and name HG2) 1.886 0.445 0.445 weight 1.000 ! spec=HCH, no=2833, id=5789, vol=2.850000e+08
assign (resid 80 and name HE2) (resid 80 and name HG1) 3.162 1.250 1.250 weight 1.000 ! spec=HCH, no=2836, id=5791, vol=1.280000e+07
assign (resid 81 and name HN) (resid 80 and name HG1) 3.947 1.947 1.947 weight 1.000 ! spec=HCH, no=2837, id=5792, vol=3.390000e+06
assign (resid 81 and name HA) (resid 81 and name HG2) 2.522 0.795 0.795 weight 1.000 ! spec=HCH, no=2839, id=5794, vol=4.990000e+07
assign (resid 81 and name HA) (resid 81 and name HB1) 2.266 0.642 0.642 weight 1.000 ! spec=HCH, no=2842, id=5797, vol=9.460000e+07
assign (resid 81 and name HA) (resid 81 and name HG1) 2.792 0.974 0.974 weight 1.000 ! spec=HCH, no=2843, id=5798, vol=2.710000e+07
assign (resid 81 and name HB1) (resid 81 and name HG2) 2.444 0.747 0.747 weight 1.000 ! spec=HCH, no=2851, id=5806, vol=6.010000e+07
assign (resid 81 and name HB1) (resid 78 and name HA) 3.435 1.475 1.475 weight 1.000 ! spec=HCH, no=2853, id=5808, vol=7.810000e+06
assign (resid 81 and name HB1) (resid 80 and name HN) 3.391 1.437 1.437 weight 1.000 ! spec=HCH, no=2854, id=5809, vol=8.430000e+06
assign (resid 81 and name HB2) (resid 81 and name HA) 2.664 0.887 0.887 weight 1.000 ! spec=HCH, no=2857, id=5812, vol=3.590000e+07
assign (resid 81 and name HB2) (resid 82 and name HN) 2.979 1.110 1.110 weight 1.000 ! spec=HCH, no=2859, id=5814, vol=1.830000e+07
assign (resid 81 and name HB1) (resid 82 and name HN) 2.946 1.085 1.085 weight 1.000 ! spec=HCH, no=2860, id=5815, vol=1.960000e+07
assign (resid 78 and name HA) (resid 81 and name HD2) 3.533 1.560 1.560 weight 1.000 ! spec=HCH, no=2862, id=5817, vol=6.590000e+06
assign (resid 81 and name HD2) (resid 77 and name HB2) 3.340 1.395 1.395 weight 1.000 ! spec=HCH, no=2863, id=5818, vol=9.230000e+06
assign (resid 81 and name HE2) (resid 81 and name HN) 3.635 1.652 1.652 weight 1.000 ! spec=HCH, no=2867, id=5822, vol=5.560000e+06
assign (resid 81 and name HE2) (resid 78 and name HA) 3.077 1.184 1.184 weight 1.000 ! spec=HCH, no=2873, id=5827, vol=1.510000e+07
assign (resid 81 and name HA) (resid 81 and name HE2) 3.267 1.335 1.335 weight 1.000 ! spec=HCH, no=2874, id=5828, vol=1.050000e+07
assign (resid 81 and name HE2) (resid 81 and name HG1) 2.563 0.821 0.821 weight 1.000 ! spec=HCH, no=2875, id=5829, vol=4.530000e+07
assign (resid 81 and name HE2) (resid 81 and name HD2) 2.234 0.624 0.624 weight 1.000 ! spec=HCH, no=2876, id=5830, vol=1.030000e+08
assign (resid 82 and name HE21) (resid 81 and name HE2) 3.437 1.477 1.477 weight 1.000 ! spec=HCH, no=2878, id=5831, vol=7.780000e+06
assign (resid 81 and name HE2) (resid 81 and name HG1) 3.041 1.156 1.156 weight 1.000 ! spec=HCH, no=2880, id=5833, vol=1.620000e+07
    or (resid 81 and name HG1) (resid 81 and name HE1)
assign (resid 81 and name HN) (resid 81 and name HG1) 3.104 1.204 1.204 weight 1.000 ! spec=HCH, no=2885, id=5838, vol=1.430000e+07
assign (resid 81 and name HG2) (resid 82 and name HN) 3.499 1.531 1.531 weight 1.000 ! spec=HCH, no=2889, id=5841, vol=6.980000e+06
assign (resid 81 and name HG1) (resid 82 and name HN) 3.080 1.186 1.186 weight 1.000 ! spec=HCH, no=2890, id=5842, vol=1.500000e+07
assign (resid 82 and name HA) (resid 82 and name HN) 2.574 0.828 0.828 weight 1.000 ! spec=HCH, no=2893, id=5845, vol=4.410000e+07
assign (resid 82 and name HA) (resid 82 and name HB2) 2.550 0.813 0.813 weight 1.000 ! spec=HCH, no=2894, id=5846, vol=4.660000e+07
assign (resid 82 and name HA) (resid 82 and name HB1) 2.409 0.725 0.725 weight 1.000 ! spec=HCH, no=2895, id=5847, vol=6.560000e+07
assign (resid 82 and name HA) (resid 82 and name HG2) 2.718 0.923 0.923 weight 1.000 ! spec=HCH, no=2896, id=5848, vol=3.180000e+07
assign (resid 82 and name HA) (resid 82 and name HG1) 2.638 0.870 0.870 weight 1.000 ! spec=HCH, no=2897, id=5849, vol=3.810000e+07
assign (resid 82 and name HA) (resid 83 and name HN) 2.645 0.875 0.875 weight 1.000 ! spec=HCH, no=2898, id=5850, vol=3.740000e+07
assign (resid 82 and name HB1) (resid 81 and name HN) 3.910 1.911 1.911 weight 1.000 ! spec=HCH, no=2901, id=5853, vol=3.590000e+06
assign (resid 82 and name HB2) (resid 82 and name HG2) 2.568 0.824 0.824 weight 1.000 ! spec=HCH, no=2904, id=5856, vol=4.470000e+07
assign (resid 83 and name HN) (resid 82 and name HB2) 2.759 0.952 0.952 weight 1.000 ! spec=HCH, no=2905, id=5857, vol=2.910000e+07
assign (resid 83 and name HN) (resid 82 and name HB1) 2.825 0.997 0.997 weight 1.000 ! spec=HCH, no=2906, id=5858, vol=2.520000e+07
assign (resid 82 and name HG2) (resid 78 and name HG21) 3.320 1.378 1.378 weight 1.000 ! spec=HCH, no=2907, id=5859, vol=9.570000e+06
    or (resid 82 and name HG2) (resid 78 and name HG22)
    or (resid 82 and name HG2) (resid 78 and name HG23)
assign (resid 82 and name HG1) (resid 30 and name HD12) 3.074 1.181 1.181 weight 1.000 ! spec=HCH, no=2912, id=5864, vol=1.520000e+07
    or (resid 82 and name HG1) (resid 30 and name HD11)
    or (resid 82 and name HG1) (resid 30 and name HD13)
assign (resid 82 and name HG1) (resid 28 and name HG21) 3.598 1.618 1.618 weight 1.000 ! spec=HCH, no=2913, id=5865, vol=5.910000e+06
    or (resid 82 and name HG1) (resid 28 and name HG22)
    or (resid 82 and name HG1) (resid 28 and name HG23)
assign (resid 82 and name HG1) (resid 82 and name HB2) 2.722 0.926 0.926 weight 1.000 ! spec=HCH, no=2914, id=5866, vol=3.150000e+07
assign (resid 82 and name HG2) (resid 30 and name HG12) 3.434 1.474 1.474 weight 1.000 ! spec=HCH, no=2916, id=5868, vol=7.810000e+06
assign (resid 82 and name HG1) (resid 30 and name HG12) 3.576 1.598 1.598 weight 1.000 ! spec=HCH, no=2917, id=5869, vol=6.130000e+06
assign (resid 82 and name HG2) (resid 30 and name HG11) 2.478 0.768 0.768 weight 1.000 ! spec=HCH, no=2918, id=5870, vol=5.540000e+07
assign (resid 84 and name HN) (resid 83 and name HA) 2.637 0.869 0.869 weight 1.000 ! spec=HCH, no=2935, id=5886, vol=3.810000e+07
assign (resid 84 and name HN) (resid 83 and name HB2) 3.612 1.631 1.631 weight 1.000 ! spec=HCH, no=2936, id=5887, vol=5.770000e+06
assign (resid 79 and name HD22) (resid 83 and name HB2) 3.325 1.382 1.382 weight 1.000 ! spec=HCH, no=2943, id=5894, vol=9.490000e+06
    or (resid 79 and name HD21) (resid 83 and name HB2)
    or (resid 79 and name HD23) (resid 83 and name HB2)
assign (resid 83 and name HB2) (resid 83 and name HA) 2.867 1.028 1.028 weight 1.000 ! spec=HCH, no=2945, id=5896, vol=2.310000e+07
assign (resid 83 and name HB2) (resid 84 and name HA) 3.827 1.830 1.830 weight 1.000 ! spec=HCH, no=2947, id=5897, vol=4.080000e+06
assign (resid 84 and name HN) (resid 84 and name HA) 2.491 0.776 0.776 weight 1.000 ! spec=HCH, no=2951, id=5901, vol=5.370000e+07
assign (resid 84 and name HA) (resid 84 and name HB1) 2.324 0.675 0.675 weight 1.000 ! spec=HCH, no=2952, id=5902, vol=8.140000e+07
assign (resid 84 and name HA) (resid 84 and name HG2) 2.515 0.791 0.791 weight 1.000 ! spec=HCH, no=2954, id=5904, vol=5.060000e+07
assign (resid 85 and name HN) (resid 84 and name HA) 2.625 0.862 0.862 weight 1.000 ! spec=HCH, no=2955, id=5905, vol=3.920000e+07
assign (resid 84 and name HA) (resid 85 and name HA2) 3.411 1.455 1.455 weight 1.000 ! spec=HCH, no=2956, id=5906, vol=8.140000e+06
assign (resid 84 and name HB2) (resid 84 and name HN) 3.055 1.166 1.166 weight 1.000 ! spec=HCH, no=2960, id=5910, vol=1.580000e+07
assign (resid 84 and name HB2) (resid 84 and name HA) 2.718 0.923 0.923 weight 1.000 ! spec=HCH, no=2961, id=5911, vol=3.180000e+07
assign (resid 84 and name HB2) (resid 84 and name HG2) 2.498 0.780 0.780 weight 1.000 ! spec=HCH, no=2962, id=5912, vol=5.280000e+07
assign (resid 84 and name HD2) (resid 84 and name HE2) 2.303 0.663 0.663 weight 1.000 ! spec=HCH, no=2966, id=5916, vol=8.610000e+07
    or (resid 84 and name HD2) (resid 84 and name HE1)
assign (resid 84 and name HD2) (resid 84 and name HN) 3.343 1.397 1.397 weight 1.000 ! spec=HCH, no=2969, id=5919, vol=9.190000e+06
assign (resid 84 and name HE2) (resid 84 and name HB1) 2.360 0.696 0.696 weight 1.000 ! spec=HCH, no=2980, id=5927, vol=7.420000e+07
assign (resid 84 and name HE2) (resid 84 and name HG2) 2.474 0.765 0.765 weight 1.000 ! spec=HCH, no=2981, id=5928, vol=5.590000e+07
assign (resid 84 and name HG2) (resid 83 and name HA) 3.805 1.810 1.810 weight 1.000 ! spec=HCH, no=2985, id=5932, vol=4.220000e+06
assign (resid 84 and name HG2) (resid 84 and name HB1) 2.207 0.609 0.609 weight 1.000 ! spec=HCH, no=2995, id=5942, vol=1.110000e+08
assign (resid 84 and name HG2) (resid 84 and name HD2) 2.114 0.559 0.559 weight 1.000 ! spec=HCH, no=2996, id=5943, vol=1.440000e+08
assign (resid 85 and name HN) (resid 84 and name HG2) 3.584 1.605 1.605 weight 1.000 ! spec=HCH, no=2998, id=5945, vol=6.060000e+06
assign (resid 85 and name HA2) (resid 79 and name HB2) 3.729 1.738 1.738 weight 1.000 ! spec=HCH, no=3000, id=5947, vol=4.770000e+06
assign (resid 85 and name HA2) (resid 133 and name HD12) 3.576 1.599 1.599 weight 1.000 ! spec=HCH, no=3002, id=5949, vol=6.130000e+06
    or (resid 85 and name HA2) (resid 133 and name HD11)
    or (resid 85 and name HA2) (resid 133 and name HD13)
assign (resid 85 and name HA1) (resid 86 and name HG1) 3.453 1.490 1.490 weight 1.000 ! spec=HCH, no=3004, id=5951, vol=7.570000e+06
assign (resid 85 and name HA2) (resid 79 and name HG) 3.678 1.691 1.691 weight 1.000 ! spec=HCH, no=3009, id=5956, vol=5.180000e+06
assign (resid 85 and name HA1) (resid 79 and name HG) 3.406 1.450 1.450 weight 1.000 ! spec=HCH, no=3010, id=5957, vol=8.220000e+06
assign (resid 79 and name HD12) (resid 85 and name HA2) 3.411 1.454 1.454 weight 1.000 ! spec=HCH, no=3011, id=5958, vol=8.140000e+06
    or (resid 79 and name HD11) (resid 85 and name HA2)
    or (resid 79 and name HD13) (resid 85 and name HA2)
assign (resid 85 and name HA1) (resid 79 and name HD12) 3.538 1.565 1.565 weight 1.000 ! spec=HCH, no=3012, id=5959, vol=6.540000e+06
    or (resid 85 and name HA1) (resid 79 and name HD11)
    or (resid 85 and name HA1) (resid 79 and name HD13)
assign (resid 85 and name HN) (resid 85 and name HA2) 2.940 1.081 1.081 weight 1.000 ! spec=HCH, no=3013, id=5960, vol=1.980000e+07
assign (resid 85 and name HN) (resid 85 and name HA1) 2.972 1.104 1.104 weight 1.000 ! spec=HCH, no=3014, id=5961, vol=1.860000e+07
assign (resid 85 and name HA1) (resid 85 and name HA2) 2.122 0.563 0.563 weight 1.000 ! spec=HCH, no=3016, id=5962, vol=1.400000e+08
assign (resid 85 and name HA1) (resid 86 and name HD2) 2.102 0.553 0.553 weight 1.000 ! spec=HCH, no=3019, id=5964, vol=1.480000e+08
assign (resid 85 and name HA1) (resid 133 and name HG12) 3.468 1.504 1.504 weight 1.000 ! spec=HCH, no=3022, id=5967, vol=7.360000e+06
assign (resid 86 and name HA) (resid 86 and name HB1) 2.390 0.714 0.714 weight 1.000 ! spec=HCH, no=3028, id=5972, vol=6.880000e+07
assign (resid 86 and name HB1) (resid 39 and name HZ) 3.924 1.925 1.925 weight 1.000 ! spec=HCH, no=3032, id=5976, vol=3.510000e+06
assign (resid 86 and name HB1) (resid 85 and name HN) 3.247 1.318 1.318 weight 1.000 ! spec=HCH, no=3036, id=5980, vol=1.090000e+07
assign (resid 86 and name HB1) (resid 85 and name HA1) 3.519 1.548 1.548 weight 1.000 ! spec=HCH, no=3038, id=5982, vol=6.750000e+06
assign (resid 86 and name HA) (resid 86 and name HB2) 2.592 0.840 0.840 weight 1.000 ! spec=HCH, no=3039, id=5983, vol=4.230000e+07
assign (resid 86 and name HB1) (resid 86 and name HB2) 2.016 0.508 0.508 weight 1.000 ! spec=HCH, no=3043, id=5986, vol=1.910000e+08
assign (resid 86 and name HB2) (resid 86 and name HD2) 3.108 1.207 1.207 weight 1.000 ! spec=HCH, no=3045, id=5987, vol=1.420000e+07
assign (resid 86 and name HB1) (resid 86 and name HD2) 3.170 1.256 1.256 weight 1.000 ! spec=HCH, no=3046, id=5988, vol=1.260000e+07
assign (resid 86 and name HB2) (resid 86 and name HD1) 3.123 1.219 1.219 weight 1.000 ! spec=HCH, no=3047, id=5989, vol=1.380000e+07
assign (resid 86 and name HB2) (resid 86 and name HG2) 2.434 0.741 0.741 weight 1.000 ! spec=HCH, no=3049, id=5991, vol=6.160000e+07
assign (resid 86 and name HB1) (resid 86 and name HG2) 2.635 0.868 0.868 weight 1.000 ! spec=HCH, no=3050, id=5992, vol=3.830000e+07
assign (resid 85 and name HN) (resid 86 and name HD1) 3.615 1.633 1.633 weight 1.000 ! spec=HCH, no=3058, id=6000, vol=5.750000e+06
assign (resid 86 and name HD1) (resid 39 and name HZ) 3.137 1.230 1.230 weight 1.000 ! spec=HCH, no=3061, id=6003, vol=1.350000e+07
assign (resid 86 and name HD2) (resid 79 and name HB2) 3.697 1.709 1.709 weight 1.000 ! spec=HCH, no=3062, id=6004, vol=5.020000e+06
assign (resid 86 and name HD1) (resid 79 and name HB2) 3.670 1.684 1.684 weight 1.000 ! spec=HCH, no=3063, id=6005, vol=5.240000e+06
assign (resid 86 and name HD2) (resid 79 and name HB1) 2.890 1.044 1.044 weight 1.000 ! spec=HCH, no=3064, id=6006, vol=2.200000e+07
assign (resid 86 and name HD1) (resid 79 and name HD12) 3.643 1.659 1.659 weight 1.000 ! spec=HCH, no=3066, id=6008, vol=5.490000e+06
    or (resid 86 and name HD1) (resid 79 and name HD11)
    or (resid 86 and name HD1) (resid 79 and name HD13)
assign (resid 86 and name HD2) (resid 80 and name HG2) 3.697 1.709 1.709 weight 1.000 ! spec=HCH, no=3067, id=6009, vol=5.020000e+06
assign (resid 86 and name HD2) (resid 85 and name HN) 3.501 1.532 1.532 weight 1.000 ! spec=HCH, no=3069, id=6011, vol=6.960000e+06
assign (resid 85 and name HA1) (resid 86 and name HD1) 2.595 0.842 0.842 weight 1.000 ! spec=HCH, no=3072, id=6014, vol=4.200000e+07
assign (resid 86 and name HD2) (resid 86 and name HA) 3.602 1.622 1.622 weight 1.000 ! spec=HCH, no=3073, id=6015, vol=5.870000e+06
assign (resid 86 and name HD1) (resid 86 and name HA) 3.374 1.423 1.423 weight 1.000 ! spec=HCH, no=3074, id=6016, vol=8.700000e+06
assign (resid 86 and name HB1) (resid 86 and name HD1) 3.081 1.186 1.186 weight 1.000 ! spec=HCH, no=3075, id=6017, vol=1.500000e+07
assign (resid 86 and name HD1) (resid 86 and name HD2) 2.059 0.530 0.530 weight 1.000 ! spec=HCH, no=3076, id=6018, vol=1.680000e+08
assign (resid 86 and name HD2) (resid 86 and name HG2) 2.672 0.893 0.893 weight 1.000 ! spec=HCH, no=3077, id=6019, vol=3.520000e+07
assign (resid 86 and name HD1) (resid 86 and name HG2) 2.748 0.944 0.944 weight 1.000 ! spec=HCH, no=3078, id=6020, vol=2.980000e+07
assign (resid 86 and name HD2) (resid 86 and name HG1) 2.670 0.891 0.891 weight 1.000 ! spec=HCH, no=3079, id=6021, vol=3.540000e+07
assign (resid 86 and name HD1) (resid 86 and name HG1) 2.596 0.842 0.842 weight 1.000 ! spec=HCH, no=3080, id=6022, vol=4.190000e+07
assign (resid 86 and name HD1) (resid 89 and name HG22) 3.720 1.730 1.730 weight 1.000 ! spec=HCH, no=3082, id=6024, vol=4.840000e+06
    or (resid 86 and name HD1) (resid 89 and name HG21)
    or (resid 86 and name HD1) (resid 89 and name HG23)
assign (resid 86 and name HG2) (resid 89 and name HA) 4.010 2.010 2.010 weight 1.000 ! spec=HCH, no=3084, id=6026, vol=3.090000e+06
assign (resid 86 and name HG1) (resid 89 and name HA) 3.960 1.961 1.961 weight 1.000 ! spec=HCH, no=3094, id=6036, vol=3.320000e+06
assign (resid 86 and name HG2) (resid 39 and name HZ) 3.633 1.650 1.650 weight 1.000 ! spec=HCH, no=3096, id=6038, vol=5.580000e+06
assign (resid 86 and name HG1) (resid 39 and name HZ) 3.607 1.627 1.627 weight 1.000 ! spec=HCH, no=3097, id=6039, vol=5.820000e+06
assign (resid 86 and name HG2) (resid 79 and name HD12) 3.901 1.902 1.902 weight 1.000 ! spec=HCH, no=3098, id=6040, vol=3.640000e+06
    or (resid 86 and name HG2) (resid 79 and name HD11)
    or (resid 86 and name HG2) (resid 79 and name HD13)
assign (resid 86 and name HG1) (resid 79 and name HD12) 3.795 1.800 1.800 weight 1.000 ! spec=HCH, no=3099, id=6041, vol=4.290000e+06
    or (resid 86 and name HG1) (resid 79 and name HD11)
    or (resid 86 and name HG1) (resid 79 and name HD13)
assign (resid 86 and name HG2) (resid 85 and name HN) 3.607 1.627 1.627 weight 1.000 ! spec=HCH, no=3100, id=6042, vol=5.820000e+06
assign (resid 86 and name HG2) (resid 85 and name HA1) 3.796 1.801 1.801 weight 1.000 ! spec=HCH, no=3101, id=6043, vol=4.290000e+06
assign (resid 86 and name HG2) (resid 86 and name HA) 3.556 1.581 1.581 weight 1.000 ! spec=HCH, no=3103, id=6045, vol=6.340000e+06
assign (resid 86 and name HG1) (resid 86 and name HA) 3.269 1.336 1.336 weight 1.000 ! spec=HCH, no=3104, id=6046, vol=1.050000e+07
assign (resid 86 and name HG1) (resid 86 and name HB1) 2.540 0.806 0.806 weight 1.000 ! spec=HCH, no=3106, id=6048, vol=4.780000e+07
assign (resid 86 and name HG1) (resid 86 and name HG2) 2.102 0.552 0.552 weight 1.000 ! spec=HCH, no=3112, id=6053, vol=1.490000e+08
assign (resid 86 and name HG1) (resid 87 and name HN) 3.641 1.657 1.657 weight 1.000 ! spec=HCH, no=3116, id=6056, vol=5.510000e+06
assign (resid 86 and name HG2) (resid 89 and name HD12) 3.240 1.313 1.313 weight 1.000 ! spec=HCH, no=3118, id=6058, vol=1.110000e+07
    or (resid 86 and name HG2) (resid 89 and name HD11)
    or (resid 86 and name HG2) (resid 89 and name HD13)
assign (resid 86 and name HG1) (resid 89 and name HG22) 3.513 1.543 1.543 weight 1.000 ! spec=HCH, no=3121, id=6061, vol=6.820000e+06
    or (resid 86 and name HG1) (resid 89 and name HG21)
    or (resid 86 and name HG1) (resid 89 and name HG23)
assign (resid 87 and name HA) (resid 88 and name HN) 3.092 1.195 1.195 weight 1.000 ! spec=HCH, no=3123, id=6063, vol=1.470000e+07
assign (resid 87 and name HA) (resid 87 and name HB2) 2.309 0.666 0.666 weight 1.000 ! spec=HCH, no=3128, id=6068, vol=8.460000e+07
assign (resid 87 and name HA) (resid 133 and name HB) 2.824 0.997 0.997 weight 1.000 ! spec=HCH, no=3129, id=6069, vol=2.530000e+07
assign (resid 88 and name HA) (resid 87 and name HA) 3.990 1.990 1.990 weight 1.000 ! spec=HCH, no=3138, id=6078, vol=3.180000e+06
assign (resid 133 and name HN) (resid 88 and name HA) 3.135 1.229 1.229 weight 1.000 ! spec=HCH, no=3139, id=6079, vol=1.350000e+07
assign (resid 88 and name HA) (resid 86 and name HG2) 4.162 2.165 2.165 weight 1.000 ! spec=HCH, no=3142, id=6082, vol=2.470000e+06
assign (resid 88 and name HA) (resid 88 and name HB2) 2.550 0.813 0.813 weight 1.000 ! spec=HCH, no=3145, id=6084, vol=4.660000e+07
assign (resid 88 and name HA) (resid 130 and name HB2) 3.325 1.382 1.382 weight 1.000 ! spec=HCH, no=3150, id=6089, vol=9.490000e+06
assign (resid 88 and name HB2) (resid 89 and name HA) 3.931 1.932 1.932 weight 1.000 ! spec=HCH, no=3161, id=6099, vol=3.480000e+06
assign (resid 88 and name HB2) (resid 130 and name HB2) 2.657 0.883 0.883 weight 1.000 ! spec=HCH, no=3163, id=6101, vol=3.640000e+07
assign (resid 88 and name HB2) (resid 132 and name HA) 3.495 1.527 1.527 weight 1.000 ! spec=HCH, no=3165, id=6103, vol=7.040000e+06
assign (resid 89 and name HA) (resid 89 and name HB) 2.685 0.901 0.901 weight 1.000 ! spec=HCH, no=3171, id=6107, vol=3.420000e+07
assign (resid 89 and name HB) (resid 89 and name HG12) 2.824 0.997 0.997 weight 1.000 ! spec=HCH, no=3177, id=6112, vol=2.530000e+07
assign (resid 89 and name HB) (resid 39 and name HD1) 3.975 1.975 1.975 weight 1.000 ! spec=HCH, no=3178, id=6113, vol=3.250000e+06
assign (resid 88 and name HA) (resid 89 and name HB) 3.769 1.776 1.776 weight 1.000 ! spec=HCH, no=3179, id=6114, vol=4.470000e+06
assign (resid 89 and name HN) (resid 89 and name HB) 2.773 0.961 0.961 weight 1.000 ! spec=HCH, no=3180, id=6115, vol=2.820000e+07
assign (resid 89 and name HB) (resid 89 and name HD12) 2.567 0.824 0.824 weight 1.000 ! spec=HCH, no=3184, id=6118, vol=4.480000e+07
    or (resid 89 and name HB) (resid 89 and name HD11)
    or (resid 89 and name HB) (resid 89 and name HD13)
assign (resid 89 and name HB) (resid 130 and name HA) 3.889 1.891 1.891 weight 1.000 ! spec=HCH, no=3186, id=6120, vol=3.710000e+06
assign (resid 89 and name HB) (resid 131 and name HN) 3.600 1.620 1.620 weight 1.000 ! spec=HCH, no=3187, id=6121, vol=5.890000e+06
assign (resid 89 and name HD12) (resid 131 and name HA) 2.903 1.054 1.054 weight 1.000 ! spec=HCH, no=3188, id=6122, vol=2.140000e+07
    or (resid 89 and name HD11) (resid 131 and name HA)
    or (resid 89 and name HD13) (resid 131 and name HA)
assign (resid 89 and name HD12) (resid 131 and name HG) 2.012 0.506 0.506 weight 1.000 ! spec=HCH, no=3190, id=6124, vol=1.930000e+08
    or (resid 89 and name HD11) (resid 131 and name HG)
    or (resid 89 and name HD13) (resid 131 and name HG)
assign (resid 89 and name HD12) (resid 88 and name HB2) 2.835 1.005 1.005 weight 1.000 ! spec=HCH, no=3197, id=6131, vol=2.470000e+07
    or (resid 89 and name HD12) (resid 88 and name HB1)
    or (resid 89 and name HD11) (resid 88 and name HB2)
    or (resid 89 and name HD11) (resid 88 and name HB1)
    or (resid 89 and name HD13) (resid 88 and name HB2)
    or (resid 89 and name HD13) (resid 88 and name HB1)
assign (resid 88 and name HA) (resid 89 and name HD12) 3.015 1.136 1.136 weight 1.000 ! spec=HCH, no=3202, id=6136, vol=1.710000e+07
    or (resid 88 and name HA) (resid 89 and name HD11)
    or (resid 88 and name HA) (resid 89 and name HD13)
assign (resid 89 and name HA) (resid 89 and name HD12) 2.699 0.911 0.911 weight 1.000 ! spec=HCH, no=3204, id=6138, vol=3.320000e+07
    or (resid 89 and name HA) (resid 89 and name HD11)
    or (resid 89 and name HA) (resid 89 and name HD13)
assign (resid 89 and name HD12) (resid 89 and name HG12) 2.164 0.585 0.585 weight 1.000 ! spec=HCH, no=3206, id=6140, vol=1.250000e+08
    or (resid 89 and name HD11) (resid 89 and name HG12)
    or (resid 89 and name HD13) (resid 89 and name HG12)
assign (resid 89 and name HD12) (resid 89 and name HD11) 1.093 0.149 0.149 weight 1.000 ! spec=HCH, no=3207, id=6141, vol=7.540000e+09
    or (resid 89 and name HD12) (resid 89 and name HD13)
    or (resid 89 and name HD12) (resid 89 and name HD11)
    or (resid 89 and name HD11) (resid 89 and name HD13)
    or (resid 89 and name HD12) (resid 89 and name HD13)
    or (resid 89 and name HD11) (resid 89 and name HD13)
assign (resid 89 and name HD12) (resid 130 and name HA) 3.640 1.656 1.656 weight 1.000 ! spec=HCH, no=3209, id=6143, vol=5.510000e+06
    or (resid 89 and name HD11) (resid 130 and name HA)
    or (resid 89 and name HD13) (resid 130 and name HA)
assign (resid 89 and name HG12) (resid 89 and name HA) 3.346 1.400 1.400 weight 1.000 ! spec=HCH, no=3211, id=6144, vol=9.130000e+06
assign (resid 89 and name HB) (resid 89 and name HG11) 2.665 0.888 0.888 weight 1.000 ! spec=HCH, no=3216, id=6149, vol=3.580000e+07
assign (resid 89 and name HG11) (resid 90 and name HA) 3.363 1.414 1.414 weight 1.000 ! spec=HCH, no=3217, id=6150, vol=8.860000e+06
assign (resid 89 and name HG11) (resid 89 and name HN) 3.092 1.195 1.195 weight 1.000 ! spec=HCH, no=3221, id=6154, vol=1.470000e+07
assign (resid 89 and name HG11) (resid 89 and name HA) 3.112 1.210 1.210 weight 1.000 ! spec=HCH, no=3222, id=6155, vol=1.410000e+07
assign (resid 89 and name HG11) (resid 89 and name HG12) 2.177 0.592 0.592 weight 1.000 ! spec=HCH, no=3225, id=6157, vol=1.200000e+08
assign (resid 89 and name HG11) (resid 89 and name HD12) 2.445 0.747 0.747 weight 1.000 ! spec=HCH, no=3228, id=6159, vol=6.010000e+07
    or (resid 89 and name HG11) (resid 89 and name HD11)
    or (resid 89 and name HG11) (resid 89 and name HD13)
assign (resid 89 and name HG12) (resid 131 and name HN) 3.949 1.950 1.950 weight 1.000 ! spec=HCH, no=3230, id=6161, vol=3.380000e+06
assign (resid 89 and name HG11) (resid 131 and name HN) 3.735 1.744 1.744 weight 1.000 ! spec=HCH, no=3231, id=6162, vol=4.730000e+06
assign (resid 89 and name HG22) (resid 89 and name HD12) 1.901 0.452 0.452 weight 1.000 ! spec=HCH, no=3235, id=6165, vol=2.710000e+08
    or (resid 89 and name HG22) (resid 89 and name HD11)
    or (resid 89 and name HG22) (resid 89 and name HD13)
    or (resid 89 and name HG21) (resid 89 and name HD12)
    or (resid 89 and name HG21) (resid 89 and name HD11)
    or (resid 89 and name HG21) (resid 89 and name HD13)
    or (resid 89 and name HG23) (resid 89 and name HD12)
    or (resid 89 and name HG23) (resid 89 and name HD11)
    or (resid 89 and name HG23) (resid 89 and name HD13)
assign (resid 89 and name HG22) (resid 88 and name HN) 3.565 1.589 1.589 weight 1.000 ! spec=HCH, no=3241, id=6171, vol=6.240000e+06
    or (resid 89 and name HG21) (resid 88 and name HN)
    or (resid 89 and name HG23) (resid 88 and name HN)
assign (resid 89 and name HG22) (resid 39 and name HD1) 3.420 1.462 1.462 weight 1.000 ! spec=HCH, no=3246, id=6176, vol=8.010000e+06
    or (resid 89 and name HG22) (resid 39 and name HD2)
    or (resid 89 and name HG21) (resid 39 and name HD1)
    or (resid 89 and name HG21) (resid 39 and name HD2)
    or (resid 89 and name HG23) (resid 39 and name HD1)
    or (resid 89 and name HG23) (resid 39 and name HD2)
assign (resid 89 and name HG22) (resid 89 and name HG11) 2.400 0.720 0.720 weight 1.000 ! spec=HCH, no=3249, id=6179, vol=6.710000e+07
    or (resid 89 and name HG21) (resid 89 and name HG11)
    or (resid 89 and name HG23) (resid 89 and name HG11)
assign (resid 86 and name HD2) (resid 89 and name HG22) 3.146 1.238 1.238 weight 1.000 ! spec=HCH, no=3253, id=6182, vol=1.320000e+07
    or (resid 86 and name HD2) (resid 89 and name HG21)
    or (resid 86 and name HD2) (resid 89 and name HG23)
assign (resid 89 and name HG22) (resid 39 and name HZ) 2.775 0.963 0.963 weight 1.000 ! spec=HCH, no=3256, id=6184, vol=2.810000e+07
    or (resid 89 and name HG21) (resid 39 and name HZ)
    or (resid 89 and name HG23) (resid 39 and name HZ)
assign (resid 86 and name HG2) (resid 89 and name HG22) 2.837 1.006 1.006 weight 1.000 ! spec=HCH, no=3257, id=6185, vol=2.460000e+07
    or (resid 86 and name HG2) (resid 89 and name HG21)
    or (resid 86 and name HG2) (resid 89 and name HG23)
assign (resid 89 and name HG22) (resid 83 and name HB2) 3.891 1.893 1.893 weight 1.000 ! spec=HCH, no=3261, id=6189, vol=3.690000e+06
    or (resid 89 and name HG21) (resid 83 and name HB2)
    or (resid 89 and name HG23) (resid 83 and name HB2)
assign (resid 88 and name HA) (resid 89 and name HG22) 3.387 1.434 1.434 weight 1.000 ! spec=HCH, no=3262, id=6190, vol=8.490000e+06
    or (resid 88 and name HA) (resid 89 and name HG21)
    or (resid 88 and name HA) (resid 89 and name HG23)
assign (resid 89 and name HN) (resid 89 and name HG22) 2.573 0.828 0.828 weight 1.000 ! spec=HCH, no=3263, id=6191, vol=4.420000e+07
    or (resid 89 and name HN) (resid 89 and name HG21)
    or (resid 89 and name HN) (resid 89 and name HG23)
assign (resid 89 and name HA) (resid 89 and name HG22) 2.469 0.762 0.762 weight 1.000 ! spec=HCH, no=3264, id=6192, vol=5.660000e+07
    or (resid 89 and name HA) (resid 89 and name HG21)
    or (resid 89 and name HA) (resid 89 and name HG23)
assign (resid 89 and name HB) (resid 89 and name HG22) 2.172 0.590 0.590 weight 1.000 ! spec=HCH, no=3265, id=6193, vol=1.220000e+08
    or (resid 89 and name HB) (resid 89 and name HG21)
    or (resid 89 and name HB) (resid 89 and name HG23)
assign (resid 89 and name HG12) (resid 89 and name HG22) 2.233 0.623 0.623 weight 1.000 ! spec=HCH, no=3266, id=6194, vol=1.030000e+08
    or (resid 89 and name HG12) (resid 89 and name HG21)
    or (resid 89 and name HG12) (resid 89 and name HG23)
assign (resid 89 and name HG22) (resid 89 and name HG21) 1.222 0.187 0.187 weight 1.000 ! spec=HCH, no=3267, id=6195, vol=3.850000e+09
    or (resid 89 and name HG22) (resid 89 and name HG23)
    or (resid 89 and name HG22) (resid 89 and name HG21)
    or (resid 89 and name HG21) (resid 89 and name HG23)
    or (resid 89 and name HG22) (resid 89 and name HG23)
    or (resid 89 and name HG21) (resid 89 and name HG23)
assign (resid 89 and name HG22) (resid 133 and name HG11) 2.545 0.809 0.809 weight 1.000 ! spec=HCH, no=3270, id=6198, vol=4.720000e+07
    or (resid 89 and name HG21) (resid 133 and name HG11)
    or (resid 89 and name HG23) (resid 133 and name HG11)
assign (resid 90 and name HA) (resid 90 and name HB1) 2.627 0.863 0.863 weight 1.000 ! spec=HCH, no=3273, id=6200, vol=3.900000e+07
assign (resid 90 and name HA) (resid 90 and name HD12) 2.867 1.027 1.027 weight 1.000 ! spec=HCH, no=3274, id=6201, vol=2.310000e+07
    or (resid 90 and name HA) (resid 90 and name HD11)
    or (resid 90 and name HA) (resid 90 and name HD13)
assign (resid 90 and name HA) (resid 130 and name HA) 2.813 0.989 0.989 weight 1.000 ! spec=HCH, no=3278, id=6205, vol=2.590000e+07
assign (resid 90 and name HA) (resid 130 and name HD1) 3.208 1.286 1.286 weight 1.000 ! spec=HCH, no=3279, id=6206, vol=1.180000e+07
assign (resid 90 and name HB1) (resid 63 and name HE2) 2.818 0.993 0.993 weight 1.000 ! spec=HCH, no=3289, id=6215, vol=2.560000e+07
    or (resid 90 and name HB1) (resid 63 and name HE1)
    or (resid 90 and name HB1) (resid 63 and name HE3)
assign (resid 90 and name HB1) (resid 148 and name HB) 4.088 2.089 2.089 weight 1.000 ! spec=HCH, no=3291, id=6217, vol=2.750000e+06
assign (resid 90 and name HB2) (resid 89 and name HA) 3.593 1.614 1.614 weight 1.000 ! spec=HCH, no=3294, id=6220, vol=5.960000e+06
assign (resid 90 and name HB2) (resid 90 and name HD12) 2.611 0.852 0.852 weight 1.000 ! spec=HCH, no=3298, id=6224, vol=4.040000e+07
    or (resid 90 and name HB2) (resid 90 and name HD11)
    or (resid 90 and name HB2) (resid 90 and name HD13)
assign (resid 90 and name HB1) (resid 90 and name HD22) 2.700 0.911 0.911 weight 1.000 ! spec=HCH, no=3301, id=6227, vol=3.310000e+07
    or (resid 90 and name HB1) (resid 90 and name HD21)
    or (resid 90 and name HB1) (resid 90 and name HD23)
assign (resid 90 and name HB1) (resid 91 and name HN) 3.416 1.459 1.459 weight 1.000 ! spec=HCH, no=3302, id=6228, vol=8.070000e+06
assign (resid 90 and name HB1) (resid 130 and name HD1) 3.870 1.872 1.872 weight 1.000 ! spec=HCH, no=3304, id=6230, vol=3.820000e+06
assign (resid 90 and name HB1) (resid 130 and name HE1) 3.763 1.770 1.770 weight 1.000 ! spec=HCH, no=3305, id=6231, vol=4.510000e+06
assign (resid 90 and name HD12) (resid 143 and name HB2) 3.545 1.571 1.571 weight 1.000 ! spec=HCH, no=3306, id=6232, vol=6.460000e+06
    or (resid 90 and name HD11) (resid 143 and name HB2)
    or (resid 90 and name HD13) (resid 143 and name HB2)
assign (resid 90 and name HD12) (resid 148 and name HG12) 1.959 0.480 0.480 weight 1.000 ! spec=HCH, no=3307, id=6233, vol=2.270000e+08
    or (resid 90 and name HD12) (resid 148 and name HG11)
    or (resid 90 and name HD12) (resid 148 and name HG13)
    or (resid 90 and name HD11) (resid 148 and name HG12)
    or (resid 90 and name HD11) (resid 148 and name HG11)
    or (resid 90 and name HD11) (resid 148 and name HG13)
    or (resid 90 and name HD13) (resid 148 and name HG12)
    or (resid 90 and name HD13) (resid 148 and name HG11)
    or (resid 90 and name HD13) (resid 148 and name HG13)
assign (resid 90 and name HD12) (resid 143 and name HN) 3.497 1.529 1.529 weight 1.000 ! spec=HCH, no=3313, id=6239, vol=7.010000e+06
    or (resid 90 and name HD11) (resid 143 and name HN)
    or (resid 90 and name HD13) (resid 143 and name HN)
assign (resid 90 and name HD12) (resid 148 and name HA) 3.300 1.361 1.361 weight 1.000 ! spec=HCH, no=3318, id=6244, vol=9.920000e+06
    or (resid 90 and name HD11) (resid 148 and name HA)
    or (resid 90 and name HD13) (resid 148 and name HA)
assign (resid 90 and name HD12) (resid 148 and name HN) 3.582 1.603 1.603 weight 1.000 ! spec=HCH, no=3319, id=6245, vol=6.080000e+06
    or (resid 90 and name HD11) (resid 148 and name HN)
    or (resid 90 and name HD13) (resid 148 and name HN)
assign (resid 90 and name HD12) (resid 151 and name HB) 3.527 1.555 1.555 weight 1.000 ! spec=HCH, no=3321, id=6247, vol=6.660000e+06
    or (resid 90 and name HD11) (resid 151 and name HB)
    or (resid 90 and name HD13) (resid 151 and name HB)
assign (resid 90 and name HD12) (resid 143 and name HB1) 3.532 1.560 1.560 weight 1.000 ! spec=HCH, no=3322, id=6248, vol=6.600000e+06
    or (resid 90 and name HD11) (resid 143 and name HB1)
    or (resid 90 and name HD13) (resid 143 and name HB1)
assign (resid 90 and name HD12) (resid 148 and name HB) 3.062 1.172 1.172 weight 1.000 ! spec=HCH, no=3331, id=6256, vol=1.550000e+07
    or (resid 90 and name HD11) (resid 148 and name HB)
    or (resid 90 and name HD13) (resid 148 and name HB)
assign (resid 90 and name HD12) (resid 52 and name HB) 3.148 1.238 1.238 weight 1.000 ! spec=HCH, no=3333, id=6258, vol=1.320000e+07
    or (resid 90 and name HD11) (resid 52 and name HB)
    or (resid 90 and name HD13) (resid 52 and name HB)
assign (resid 90 and name HD12) (resid 90 and name HN) 2.920 1.066 1.066 weight 1.000 ! spec=HCH, no=3337, id=6262, vol=2.070000e+07
    or (resid 90 and name HD11) (resid 90 and name HN)
    or (resid 90 and name HD13) (resid 90 and name HN)
assign (resid 90 and name HB1) (resid 90 and name HD12) 2.050 0.525 0.525 weight 1.000 ! spec=HCH, no=3339, id=6264, vol=1.730000e+08
    or (resid 90 and name HB1) (resid 90 and name HD11)
    or (resid 90 and name HB1) (resid 90 and name HD13)
assign (resid 90 and name HD12) (resid 90 and name HD11) 1.237 0.191 0.191 weight 1.000 ! spec=HCH, no=3340, id=6265, vol=3.590000e+09
    or (resid 90 and name HD12) (resid 90 and name HD13)
    or (resid 90 and name HD12) (resid 90 and name HD11)
    or (resid 90 and name HD11) (resid 90 and name HD13)
    or (resid 90 and name HD12) (resid 90 and name HD13)
    or (resid 90 and name HD11) (resid 90 and name HD13)
assign (resid 90 and name HD12) (resid 130 and name HZ) 3.026 1.145 1.145 weight 1.000 ! spec=HCH, no=3347, id=6272, vol=1.670000e+07
    or (resid 90 and name HD11) (resid 130 and name HZ)
    or (resid 90 and name HD13) (resid 130 and name HZ)
assign (resid 90 and name HD12) (resid 130 and name HE1) 2.893 1.046 1.046 weight 1.000 ! spec=HCH, no=3349, id=6274, vol=2.190000e+07
    or (resid 90 and name HD11) (resid 130 and name HE1)
    or (resid 90 and name HD13) (resid 130 and name HE1)
assign (resid 90 and name HD22) (resid 143 and name HN) 3.813 1.818 1.818 weight 1.000 ! spec=HCH, no=3357, id=6282, vol=4.170000e+06
    or (resid 90 and name HD21) (resid 143 and name HN)
    or (resid 90 and name HD23) (resid 143 and name HN)
assign (resid 90 and name HD22) (resid 90 and name HD12) 1.972 0.486 0.486 weight 1.000 ! spec=HCH, no=3359, id=6284, vol=2.180000e+08
    or (resid 90 and name HD22) (resid 90 and name HD11)
    or (resid 90 and name HD22) (resid 90 and name HD13)
    or (resid 90 and name HD21) (resid 90 and name HD12)
    or (resid 90 and name HD21) (resid 90 and name HD11)
    or (resid 90 and name HD21) (resid 90 and name HD13)
    or (resid 90 and name HD23) (resid 90 and name HD12)
    or (resid 90 and name HD23) (resid 90 and name HD11)
    or (resid 90 and name HD23) (resid 90 and name HD13)
assign (resid 90 and name HD22) (resid 131 and name HN) 3.916 1.917 1.917 weight 1.000 ! spec=HCH, no=3361, id=6286, vol=3.560000e+06
    or (resid 90 and name HD21) (resid 131 and name HN)
    or (resid 90 and name HD23) (resid 131 and name HN)
assign (resid 90 and name HD22) (resid 91 and name HA) 3.467 1.503 1.503 weight 1.000 ! spec=HCH, no=3363, id=6288, vol=7.380000e+06
    or (resid 90 and name HD21) (resid 91 and name HA)
    or (resid 90 and name HD23) (resid 91 and name HA)
assign (resid 90 and name HD22) (resid 130 and name HA) 3.505 1.535 1.535 weight 1.000 ! spec=HCH, no=3364, id=6289, vol=6.920000e+06
    or (resid 90 and name HD21) (resid 130 and name HA)
    or (resid 90 and name HD23) (resid 130 and name HA)
assign (resid 90 and name HD22) (resid 143 and name HB1) 3.722 1.732 1.732 weight 1.000 ! spec=HCH, no=3365, id=6290, vol=4.820000e+06
    or (resid 90 and name HD21) (resid 143 and name HB1)
    or (resid 90 and name HD23) (resid 143 and name HB1)
assign (resid 129 and name HN) (resid 90 and name HD22) 3.277 1.342 1.342 weight 1.000 ! spec=HCH, no=3368, id=6293, vol=1.040000e+07
    or (resid 129 and name HN) (resid 90 and name HD21)
    or (resid 129 and name HN) (resid 90 and name HD23)
assign (resid 49 and name HD12) (resid 90 and name HD22) 2.466 0.760 0.760 weight 1.000 ! spec=HCH, no=3369, id=6294, vol=5.710000e+07
    or (resid 49 and name HD12) (resid 90 and name HD21)
    or (resid 49 and name HD12) (resid 90 and name HD23)
    or (resid 49 and name HD11) (resid 90 and name HD22)
    or (resid 49 and name HD11) (resid 90 and name HD21)
    or (resid 49 and name HD11) (resid 90 and name HD23)
    or (resid 49 and name HD13) (resid 90 and name HD22)
    or (resid 49 and name HD13) (resid 90 and name HD21)
    or (resid 49 and name HD13) (resid 90 and name HD23)
assign (resid 90 and name HD22) (resid 63 and name HB1) 3.484 1.517 1.517 weight 1.000 ! spec=HCH, no=3371, id=6296, vol=7.170000e+06
    or (resid 90 and name HD21) (resid 63 and name HB1)
    or (resid 90 and name HD23) (resid 63 and name HB1)
assign (resid 90 and name HD22) (resid 90 and name HN) 3.132 1.226 1.226 weight 1.000 ! spec=HCH, no=3373, id=6298, vol=1.360000e+07
    or (resid 90 and name HD21) (resid 90 and name HN)
    or (resid 90 and name HD23) (resid 90 and name HN)
assign (resid 90 and name HA) (resid 90 and name HD22) 2.619 0.858 0.858 weight 1.000 ! spec=HCH, no=3374, id=6299, vol=3.970000e+07
    or (resid 90 and name HA) (resid 90 and name HD21)
    or (resid 90 and name HA) (resid 90 and name HD23)
assign (resid 90 and name HB2) (resid 90 and name HD22) 2.347 0.689 0.689 weight 1.000 ! spec=HCH, no=3375, id=6300, vol=7.660000e+07
    or (resid 90 and name HB2) (resid 90 and name HD21)
    or (resid 90 and name HB2) (resid 90 and name HD23)
assign (resid 90 and name HD22) (resid 90 and name HD21) 1.301 0.212 0.212 weight 1.000 ! spec=HCH, no=3377, id=6302, vol=2.640000e+09
    or (resid 90 and name HD22) (resid 90 and name HD23)
    or (resid 90 and name HD22) (resid 90 and name HD21)
    or (resid 90 and name HD21) (resid 90 and name HD23)
    or (resid 90 and name HD22) (resid 90 and name HD23)
    or (resid 90 and name HD21) (resid 90 and name HD23)
assign (resid 90 and name HD22) (resid 128 and name HA) 3.424 1.465 1.465 weight 1.000 ! spec=HCH, no=3381, id=6306, vol=7.960000e+06
    or (resid 90 and name HD21) (resid 128 and name HA)
    or (resid 90 and name HD23) (resid 128 and name HA)
assign (resid 90 and name HD22) (resid 128 and name HB2) 2.570 0.826 0.826 weight 1.000 ! spec=HCH, no=3382, id=6307, vol=4.450000e+07
    or (resid 90 and name HD21) (resid 128 and name HB2)
    or (resid 90 and name HD23) (resid 128 and name HB2)
assign (resid 90 and name HD22) (resid 130 and name HZ) 3.128 1.223 1.223 weight 1.000 ! spec=HCH, no=3383, id=6308, vol=1.370000e+07
    or (resid 90 and name HD21) (resid 130 and name HZ)
    or (resid 90 and name HD23) (resid 130 and name HZ)
assign (resid 90 and name HD22) (resid 130 and name HD1) 3.280 1.344 1.344 weight 1.000 ! spec=HCH, no=3384, id=6309, vol=1.030000e+07
    or (resid 90 and name HD21) (resid 130 and name HD1)
    or (resid 90 and name HD23) (resid 130 and name HD1)
assign (resid 90 and name HD22) (resid 130 and name HE1) 3.015 1.136 1.136 weight 1.000 ! spec=HCH, no=3385, id=6310, vol=1.710000e+07
    or (resid 90 and name HD21) (resid 130 and name HE1)
    or (resid 90 and name HD23) (resid 130 and name HE1)
assign (resid 90 and name HD22) (resid 143 and name HB2) 3.980 1.980 1.980 weight 1.000 ! spec=HCH, no=3387, id=6312, vol=3.230000e+06
    or (resid 90 and name HD21) (resid 143 and name HB2)
    or (resid 90 and name HD23) (resid 143 and name HB2)
assign (resid 90 and name HG) (resid 148 and name HG22) 3.547 1.573 1.573 weight 1.000 ! spec=HCH, no=3389, id=6314, vol=6.440000e+06
    or (resid 90 and name HG) (resid 148 and name HG21)
    or (resid 90 and name HG) (resid 148 and name HG23)
assign (resid 63 and name HE2) (resid 90 and name HG) 3.147 1.238 1.238 weight 1.000 ! spec=HCH, no=3390, id=6315, vol=1.320000e+07
    or (resid 63 and name HE1) (resid 90 and name HG)
    or (resid 63 and name HE3) (resid 90 and name HG)
assign (resid 90 and name HG) (resid 90 and name HD12) 2.733 0.934 0.934 weight 1.000 ! spec=HCH, no=3392, id=6317, vol=3.080000e+07
    or (resid 90 and name HG) (resid 90 and name HD11)
    or (resid 90 and name HG) (resid 90 and name HD13)
assign (resid 90 and name HG) (resid 90 and name HN) 3.122 1.218 1.218 weight 1.000 ! spec=HCH, no=3393, id=6318, vol=1.390000e+07
assign (resid 90 and name HG) (resid 90 and name HA) 3.492 1.524 1.524 weight 1.000 ! spec=HCH, no=3394, id=6319, vol=7.080000e+06
assign (resid 90 and name HG) (resid 90 and name HD22) 2.796 0.977 0.977 weight 1.000 ! spec=HCH, no=3395, id=6320, vol=2.690000e+07
    or (resid 90 and name HG) (resid 90 and name HD21)
    or (resid 90 and name HG) (resid 90 and name HD23)
assign (resid 90 and name HG) (resid 91 and name HN) 3.615 1.633 1.633 weight 1.000 ! spec=HCH, no=3396, id=6321, vol=5.750000e+06
assign (resid 90 and name HG) (resid 130 and name HE1) 3.630 1.647 1.647 weight 1.000 ! spec=HCH, no=3397, id=6322, vol=5.600000e+06
assign (resid 91 and name HA) (resid 91 and name HG) 2.764 0.955 0.955 weight 1.000 ! spec=HCH, no=3399, id=6324, vol=2.880000e+07
assign (resid 91 and name HA) (resid 131 and name HB1) 3.244 1.316 1.316 weight 1.000 ! spec=HCH, no=3401, id=6326, vol=1.100000e+07
assign (resid 91 and name HA) (resid 91 and name HB2) 2.504 0.784 0.784 weight 1.000 ! spec=HCH, no=3406, id=6329, vol=5.200000e+07
assign (resid 91 and name HA) (resid 91 and name HB1) 2.977 1.108 1.108 weight 1.000 ! spec=HCH, no=3407, id=6330, vol=1.840000e+07
assign (resid 91 and name HB1) (resid 91 and name HB2) 2.583 0.834 0.834 weight 1.000 ! spec=HCH, no=3431, id=6351, vol=4.320000e+07
assign (resid 91 and name HB2) (resid 91 and name HD22) 2.797 0.978 0.978 weight 1.000 ! spec=HCH, no=3435, id=6354, vol=2.680000e+07
    or (resid 91 and name HB2) (resid 91 and name HD21)
    or (resid 91 and name HB2) (resid 91 and name HD23)
assign (resid 91 and name HB1) (resid 104 and name HH2) 4.155 2.158 2.158 weight 1.000 ! spec=HCH, no=3438, id=6357, vol=2.490000e+06
assign (resid 91 and name HB1) (resid 104 and name HZ3) 3.332 1.388 1.388 weight 1.000 ! spec=HCH, no=3440, id=6359, vol=9.370000e+06
assign (resid 91 and name HB1) (resid 129 and name HN) 4.100 2.101 2.101 weight 1.000 ! spec=HCH, no=3441, id=6360, vol=2.700000e+06
assign (resid 91 and name HB1) (resid 130 and name HA) 3.887 1.888 1.888 weight 1.000 ! spec=HCH, no=3442, id=6361, vol=3.720000e+06
assign (resid 91 and name HD12) (resid 136 and name HA2) 3.850 1.853 1.853 weight 1.000 ! spec=HCH, no=3448, id=6364, vol=3.940000e+06
    or (resid 91 and name HD11) (resid 136 and name HA2)
    or (resid 91 and name HD13) (resid 136 and name HA2)
assign (resid 92 and name HN) (resid 91 and name HD12) 2.772 0.961 0.961 weight 1.000 ! spec=HCH, no=3451, id=6367, vol=2.820000e+07
    or (resid 92 and name HN) (resid 91 and name HD11)
    or (resid 92 and name HN) (resid 91 and name HD13)
assign (resid 66 and name HD12) (resid 91 and name HD12) 2.111 0.557 0.557 weight 1.000 ! spec=HCH, no=3453, id=6369, vol=1.450000e+08
    or (resid 66 and name HD12) (resid 91 and name HD11)
    or (resid 66 and name HD12) (resid 91 and name HD13)
    or (resid 66 and name HD11) (resid 91 and name HD12)
    or (resid 66 and name HD11) (resid 91 and name HD11)
    or (resid 66 and name HD11) (resid 91 and name HD13)
    or (resid 66 and name HD13) (resid 91 and name HD12)
    or (resid 66 and name HD13) (resid 91 and name HD11)
    or (resid 66 and name HD13) (resid 91 and name HD13)
assign (resid 91 and name HD12) (resid 91 and name HD22) 2.062 0.532 0.532 weight 1.000 ! spec=HCH, no=3455, id=6371, vol=1.670000e+08
    or (resid 91 and name HD12) (resid 91 and name HD21)
    or (resid 91 and name HD12) (resid 91 and name HD23)
    or (resid 91 and name HD11) (resid 91 and name HD22)
    or (resid 91 and name HD11) (resid 91 and name HD21)
    or (resid 91 and name HD11) (resid 91 and name HD23)
    or (resid 91 and name HD13) (resid 91 and name HD22)
    or (resid 91 and name HD13) (resid 91 and name HD21)
    or (resid 91 and name HD13) (resid 91 and name HD23)
assign (resid 131 and name HN) (resid 91 and name HD12) 2.920 1.066 1.066 weight 1.000 ! spec=HCH, no=3460, id=6374, vol=2.070000e+07
    or (resid 131 and name HN) (resid 91 and name HD11)
    or (resid 131 and name HN) (resid 91 and name HD13)
assign (resid 91 and name HD12) (resid 90 and name HA) 3.313 1.372 1.372 weight 1.000 ! spec=HCH, no=3461, id=6375, vol=9.690000e+06
    or (resid 91 and name HD11) (resid 90 and name HA)
    or (resid 91 and name HD13) (resid 90 and name HA)
assign (resid 138 and name HE1) (resid 91 and name HD12) 3.593 1.614 1.614 weight 1.000 ! spec=HCH, no=3467, id=6381, vol=5.960000e+06
    or (resid 138 and name HE1) (resid 91 and name HD11)
    or (resid 138 and name HE1) (resid 91 and name HD13)
assign (resid 91 and name HD12) (resid 65 and name HA) 3.314 1.373 1.373 weight 1.000 ! spec=HCH, no=3473, id=6387, vol=9.680000e+06
    or (resid 91 and name HD11) (resid 65 and name HA)
    or (resid 91 and name HD13) (resid 65 and name HA)
assign (resid 91 and name HD12) (resid 66 and name HN) 3.733 1.742 1.742 weight 1.000 ! spec=HCH, no=3475, id=6389, vol=4.740000e+06
    or (resid 91 and name HD11) (resid 66 and name HN)
    or (resid 91 and name HD13) (resid 66 and name HN)
assign (resid 91 and name HD12) (resid 66 and name HB) 3.123 1.220 1.220 weight 1.000 ! spec=HCH, no=3476, id=6390, vol=1.380000e+07
    or (resid 91 and name HD11) (resid 66 and name HB)
    or (resid 91 and name HD13) (resid 66 and name HB)
assign (resid 91 and name HD12) (resid 90 and name HN) 3.719 1.729 1.729 weight 1.000 ! spec=HCH, no=3477, id=6391, vol=4.850000e+06
    or (resid 91 and name HD11) (resid 90 and name HN)
    or (resid 91 and name HD13) (resid 90 and name HN)
assign (resid 91 and name HN) (resid 91 and name HD12) 2.931 1.074 1.074 weight 1.000 ! spec=HCH, no=3479, id=6393, vol=2.020000e+07
    or (resid 91 and name HN) (resid 91 and name HD11)
    or (resid 91 and name HN) (resid 91 and name HD13)
assign (resid 91 and name HA) (resid 91 and name HD12) 2.246 0.631 0.631 weight 1.000 ! spec=HCH, no=3480, id=6394, vol=9.980000e+07
    or (resid 91 and name HA) (resid 91 and name HD11)
    or (resid 91 and name HA) (resid 91 and name HD13)
assign (resid 91 and name HD12) (resid 91 and name HB1) 2.470 0.763 0.763 weight 1.000 ! spec=HCH, no=3481, id=6395, vol=5.650000e+07
    or (resid 91 and name HD11) (resid 91 and name HB1)
    or (resid 91 and name HD13) (resid 91 and name HB1)
assign (resid 91 and name HD12) (resid 91 and name HD11) 1.363 0.232 0.232 weight 1.000 ! spec=HCH, no=3482, id=6396, vol=2.000000e+09
    or (resid 91 and name HD12) (resid 91 and name HD13)
    or (resid 91 and name HD12) (resid 91 and name HD11)
    or (resid 91 and name HD11) (resid 91 and name HD13)
    or (resid 91 and name HD12) (resid 91 and name HD13)
    or (resid 91 and name HD11) (resid 91 and name HD13)
assign (resid 91 and name HD12) (resid 104 and name HH2) 3.069 1.177 1.177 weight 1.000 ! spec=HCH, no=3483, id=6397, vol=1.530000e+07
    or (resid 91 and name HD11) (resid 104 and name HH2)
    or (resid 91 and name HD13) (resid 104 and name HH2)
assign (resid 91 and name HD12) (resid 104 and name HZ2) 3.590 1.611 1.611 weight 1.000 ! spec=HCH, no=3484, id=6398, vol=5.990000e+06
    or (resid 91 and name HD11) (resid 104 and name HZ2)
    or (resid 91 and name HD13) (resid 104 and name HZ2)
assign (resid 91 and name HD12) (resid 104 and name HZ3) 3.000 1.125 1.125 weight 1.000 ! spec=HCH, no=3485, id=6399, vol=1.760000e+07
    or (resid 91 and name HD11) (resid 104 and name HZ3)
    or (resid 91 and name HD13) (resid 104 and name HZ3)
assign (resid 91 and name HD12) (resid 130 and name HA) 3.164 1.251 1.251 weight 1.000 ! spec=HCH, no=3486, id=6400, vol=1.280000e+07
    or (resid 91 and name HD11) (resid 130 and name HA)
    or (resid 91 and name HD13) (resid 130 and name HA)
assign (resid 91 and name HD12) (resid 131 and name HA) 3.138 1.231 1.231 weight 1.000 ! spec=HCH, no=3487, id=6401, vol=1.340000e+07
    or (resid 91 and name HD11) (resid 131 and name HA)
    or (resid 91 and name HD13) (resid 131 and name HA)
assign (resid 91 and name HD12) (resid 131 and name HB2) 1.972 0.486 0.486 weight 1.000 ! spec=HCH, no=3488, id=6402, vol=2.180000e+08
    or (resid 91 and name HD11) (resid 131 and name HB2)
    or (resid 91 and name HD13) (resid 131 and name HB2)
assign (resid 91 and name HD12) (resid 131 and name HB1) 2.498 0.780 0.780 weight 1.000 ! spec=HCH, no=3489, id=6403, vol=5.270000e+07
    or (resid 91 and name HD11) (resid 131 and name HB1)
    or (resid 91 and name HD13) (resid 131 and name HB1)
assign (resid 91 and name HD12) (resid 138 and name HA) 4.010 2.010 2.010 weight 1.000 ! spec=HCH, no=3491, id=6405, vol=3.080000e+06
    or (resid 91 and name HD11) (resid 138 and name HA)
    or (resid 91 and name HD13) (resid 138 and name HA)
assign (resid 91 and name HD22) (resid 138 and name HB2) 2.944 1.083 1.083 weight 1.000 ! spec=HCH, no=3492, id=6406, vol=1.970000e+07
    or (resid 91 and name HD21) (resid 138 and name HB2)
    or (resid 91 and name HD23) (resid 138 and name HB2)
assign (resid 91 and name HD12) (resid 138 and name HB1) 3.512 1.542 1.542 weight 1.000 ! spec=HCH, no=3493, id=6407, vol=6.830000e+06
    or (resid 91 and name HD11) (resid 138 and name HB1)
    or (resid 91 and name HD13) (resid 138 and name HB1)
assign (resid 91 and name HD12) (resid 138 and name HZ2) 3.594 1.615 1.615 weight 1.000 ! spec=HCH, no=3496, id=6410, vol=5.950000e+06
    or (resid 91 and name HD11) (resid 138 and name HZ2)
    or (resid 91 and name HD13) (resid 138 and name HZ2)
assign (resid 91 and name HD12) (resid 138 and name HZ3) 3.896 1.897 1.897 weight 1.000 ! spec=HCH, no=3497, id=6411, vol=3.670000e+06
    or (resid 91 and name HD11) (resid 138 and name HZ3)
    or (resid 91 and name HD13) (resid 138 and name HZ3)
assign (resid 91 and name HD22) (resid 138 and name HZ3) 3.525 1.553 1.553 weight 1.000 ! spec=HCH, no=3498, id=6412, vol=6.690000e+06
    or (resid 91 and name HD21) (resid 138 and name HZ3)
    or (resid 91 and name HD23) (resid 138 and name HZ3)
assign (resid 92 and name HN) (resid 91 and name HD22) 3.315 1.374 1.374 weight 1.000 ! spec=HCH, no=3499, id=6413, vol=9.660000e+06
    or (resid 92 and name HN) (resid 91 and name HD21)
    or (resid 92 and name HN) (resid 91 and name HD23)
assign (resid 66 and name HD12) (resid 91 and name HD22) 2.532 0.801 0.801 weight 1.000 ! spec=HCH, no=3501, id=6415, vol=4.870000e+07
    or (resid 66 and name HD12) (resid 91 and name HD21)
    or (resid 66 and name HD12) (resid 91 and name HD23)
    or (resid 66 and name HD11) (resid 91 and name HD22)
    or (resid 66 and name HD11) (resid 91 and name HD21)
    or (resid 66 and name HD11) (resid 91 and name HD23)
    or (resid 66 and name HD13) (resid 91 and name HD22)
    or (resid 66 and name HD13) (resid 91 and name HD21)
    or (resid 66 and name HD13) (resid 91 and name HD23)
assign (resid 91 and name HD22) (resid 138 and name HE3) 2.883 1.039 1.039 weight 1.000 ! spec=HCH, no=3505, id=6419, vol=2.230000e+07
    or (resid 91 and name HD21) (resid 138 and name HE3)
    or (resid 91 and name HD23) (resid 138 and name HE3)
assign (resid 139 and name HN) (resid 91 and name HD22) 3.552 1.577 1.577 weight 1.000 ! spec=HCH, no=3509, id=6422, vol=6.390000e+06
    or (resid 139 and name HN) (resid 91 and name HD21)
    or (resid 139 and name HN) (resid 91 and name HD23)
assign (resid 138 and name HE1) (resid 91 and name HD22) 3.492 1.524 1.524 weight 1.000 ! spec=HCH, no=3510, id=6423, vol=7.070000e+06
    or (resid 138 and name HE1) (resid 91 and name HD21)
    or (resid 138 and name HE1) (resid 91 and name HD23)
assign (resid 91 and name HD22) (resid 91 and name HG) 2.227 0.620 0.620 weight 1.000 ! spec=HCH, no=3511, id=6424, vol=1.050000e+08
    or (resid 91 and name HD21) (resid 91 and name HG)
    or (resid 91 and name HD23) (resid 91 and name HG)
assign (resid 91 and name HD22) (resid 66 and name HB) 3.375 1.424 1.424 weight 1.000 ! spec=HCH, no=3516, id=6428, vol=8.670000e+06
    or (resid 91 and name HD21) (resid 66 and name HB)
    or (resid 91 and name HD23) (resid 66 and name HB)
assign (resid 91 and name HN) (resid 91 and name HD22) 3.008 1.131 1.131 weight 1.000 ! spec=HCH, no=3517, id=6429, vol=1.730000e+07
    or (resid 91 and name HN) (resid 91 and name HD21)
    or (resid 91 and name HN) (resid 91 and name HD23)
assign (resid 91 and name HA) (resid 91 and name HD22) 2.972 1.104 1.104 weight 1.000 ! spec=HCH, no=3518, id=6430, vol=1.860000e+07
    or (resid 91 and name HA) (resid 91 and name HD21)
    or (resid 91 and name HA) (resid 91 and name HD23)
assign (resid 91 and name HB1) (resid 91 and name HD22) 2.389 0.714 0.714 weight 1.000 ! spec=HCH, no=3519, id=6431, vol=6.890000e+07
    or (resid 91 and name HB1) (resid 91 and name HD21)
    or (resid 91 and name HB1) (resid 91 and name HD23)
assign (resid 91 and name HD22) (resid 91 and name HD21) 1.360 0.231 0.231 weight 1.000 ! spec=HCH, no=3521, id=6433, vol=2.030000e+09
    or (resid 91 and name HD22) (resid 91 and name HD23)
    or (resid 91 and name HD22) (resid 91 and name HD21)
    or (resid 91 and name HD21) (resid 91 and name HD23)
    or (resid 91 and name HD22) (resid 91 and name HD23)
    or (resid 91 and name HD21) (resid 91 and name HD23)
assign (resid 91 and name HD22) (resid 104 and name HH2) 2.879 1.036 1.036 weight 1.000 ! spec=HCH, no=3522, id=6434, vol=2.250000e+07
    or (resid 91 and name HD21) (resid 104 and name HH2)
    or (resid 91 and name HD23) (resid 104 and name HH2)
assign (resid 91 and name HD22) (resid 104 and name HZ3) 3.051 1.164 1.164 weight 1.000 ! spec=HCH, no=3524, id=6436, vol=1.590000e+07
    or (resid 91 and name HD21) (resid 104 and name HZ3)
    or (resid 91 and name HD23) (resid 104 and name HZ3)
assign (resid 91 and name HD22) (resid 114 and name HN) 3.248 1.319 1.319 weight 1.000 ! spec=HCH, no=3525, id=6437, vol=1.090000e+07
    or (resid 91 and name HD21) (resid 114 and name HN)
    or (resid 91 and name HD23) (resid 114 and name HN)
assign (resid 91 and name HD22) (resid 131 and name HA) 3.121 1.217 1.217 weight 1.000 ! spec=HCH, no=3527, id=6439, vol=1.390000e+07
    or (resid 91 and name HD21) (resid 131 and name HA)
    or (resid 91 and name HD23) (resid 131 and name HA)
assign (resid 91 and name HD22) (resid 131 and name HB2) 2.264 0.641 0.641 weight 1.000 ! spec=HCH, no=3528, id=6440, vol=9.530000e+07
    or (resid 91 and name HD21) (resid 131 and name HB2)
    or (resid 91 and name HD23) (resid 131 and name HB2)
assign (resid 91 and name HD22) (resid 138 and name HA) 3.182 1.266 1.266 weight 1.000 ! spec=HCH, no=3532, id=6444, vol=1.240000e+07
    or (resid 91 and name HD21) (resid 138 and name HA)
    or (resid 91 and name HD23) (resid 138 and name HA)
assign (resid 91 and name HD22) (resid 138 and name HB1) 2.828 1.000 1.000 weight 1.000 ! spec=HCH, no=3533, id=6445, vol=2.510000e+07
    or (resid 91 and name HD21) (resid 138 and name HB1)
    or (resid 91 and name HD23) (resid 138 and name HB1)
assign (resid 91 and name HD22) (resid 138 and name HH2) 3.995 1.995 1.995 weight 1.000 ! spec=HCH, no=3535, id=6447, vol=3.160000e+06
    or (resid 91 and name HD21) (resid 138 and name HH2)
    or (resid 91 and name HD23) (resid 138 and name HH2)
assign (resid 91 and name HD22) (resid 138 and name HZ2) 3.763 1.770 1.770 weight 1.000 ! spec=HCH, no=3536, id=6448, vol=4.520000e+06
    or (resid 91 and name HD21) (resid 138 and name HZ2)
    or (resid 91 and name HD23) (resid 138 and name HZ2)
assign (resid 91 and name HG) (resid 104 and name HZ2) 3.516 1.546 1.546 weight 1.000 ! spec=HCH, no=3538, id=6450, vol=6.780000e+06
assign (resid 91 and name HG) (resid 92 and name HN) 3.316 1.374 1.374 weight 1.000 ! spec=HCH, no=3542, id=6454, vol=9.650000e+06
assign (resid 91 and name HG) (resid 91 and name HD12) 2.780 0.966 0.966 weight 1.000 ! spec=HCH, no=3545, id=6457, vol=2.780000e+07
    or (resid 91 and name HG) (resid 91 and name HD11)
    or (resid 91 and name HG) (resid 91 and name HD13)
assign (resid 92 and name HA2) (resid 92 and name HA1) 2.554 0.816 0.816 weight 1.000 ! spec=HCH, no=3548, id=6460, vol=4.620000e+07
assign (resid 63 and name HB2) (resid 92 and name HA2) 3.046 1.160 1.160 weight 1.000 ! spec=HCH, no=3549, id=6461, vol=1.600000e+07
assign (resid 92 and name HA2) (resid 64 and name HG12) 3.670 1.684 1.684 weight 1.000 ! spec=HCH, no=3550, id=6462, vol=5.250000e+06
assign (resid 63 and name HB1) (resid 92 and name HA1) 2.912 1.060 1.060 weight 1.000 ! spec=HCH, no=3552, id=6464, vol=2.100000e+07
assign (resid 92 and name HA1) (resid 105 and name HD1) 3.084 1.189 1.189 weight 1.000 ! spec=HCH, no=3553, id=6465, vol=1.490000e+07
    or (resid 92 and name HA1) (resid 105 and name HD2)
assign (resid 63 and name HB2) (resid 92 and name HA1) 3.115 1.213 1.213 weight 1.000 ! spec=HCH, no=3555, id=6466, vol=1.400000e+07
assign (resid 92 and name HA2) (resid 91 and name HB2) 3.431 1.471 1.471 weight 1.000 ! spec=HCH, no=3557, id=6468, vol=7.860000e+06
assign (resid 92 and name HN) (resid 92 and name HA2) 2.682 0.899 0.899 weight 1.000 ! spec=HCH, no=3559, id=6470, vol=3.440000e+07
assign (resid 92 and name HN) (resid 92 and name HA1) 2.681 0.898 0.898 weight 1.000 ! spec=HCH, no=3560, id=6471, vol=3.460000e+07
assign (resid 92 and name HA2) (resid 105 and name HE1) 3.550 1.576 1.576 weight 1.000 ! spec=HCH, no=3564, id=6475, vol=6.400000e+06
assign (resid 92 and name HA1) (resid 105 and name HE1) 3.427 1.468 1.468 weight 1.000 ! spec=HCH, no=3565, id=6476, vol=7.910000e+06
assign (resid 93 and name HA) (resid 93 and name HG2) 2.922 1.067 1.067 weight 1.000 ! spec=HCH, no=3568, id=6479, vol=2.060000e+07
    or (resid 93 and name HA) (resid 93 and name HG1)
assign (resid 93 and name HA) (resid 91 and name HB2) 3.488 1.521 1.521 weight 1.000 ! spec=HCH, no=3569, id=6480, vol=7.120000e+06
assign (resid 93 and name HA) (resid 93 and name HB2) 2.796 0.977 0.977 weight 1.000 ! spec=HCH, no=3572, id=6482, vol=2.680000e+07
assign (resid 93 and name HA) (resid 93 and name HB1) 2.885 1.040 1.040 weight 1.000 ! spec=HCH, no=3573, id=6483, vol=2.220000e+07
assign (resid 93 and name HA) (resid 94 and name HD1) 3.361 1.412 1.412 weight 1.000 ! spec=HCH, no=3576, id=6486, vol=8.890000e+06
assign (resid 93 and name HA) (resid 104 and name HN) 3.447 1.485 1.485 weight 1.000 ! spec=HCH, no=3577, id=6487, vol=7.650000e+06
assign (resid 93 and name HA) (resid 104 and name HE3) 3.428 1.469 1.469 weight 1.000 ! spec=HCH, no=3578, id=6488, vol=7.900000e+06
assign (resid 93 and name HA) (resid 105 and name HN) 2.972 1.104 1.104 weight 1.000 ! spec=HCH, no=3579, id=6489, vol=1.860000e+07
assign (resid 93 and name HB2) (resid 91 and name HD12) 4.255 2.263 2.263 weight 1.000 ! spec=HCH, no=3580, id=6490, vol=2.160000e+06
    or (resid 93 and name HB2) (resid 91 and name HD11)
    or (resid 93 and name HB2) (resid 91 and name HD13)
assign (resid 93 and name HB2) (resid 102 and name HD1) 3.424 1.465 1.465 weight 1.000 ! spec=HCH, no=3581, id=6491, vol=7.960000e+06
    or (resid 93 and name HB2) (resid 102 and name HD2)
assign (resid 93 and name HB2) (resid 93 and name HE2) 2.061 0.531 0.531 weight 1.000 ! spec=HCH, no=3582, id=6492, vol=1.670000e+08
    or (resid 93 and name HB2) (resid 93 and name HE1)
    or (resid 93 and name HB2) (resid 93 and name HE3)
assign (resid 93 and name HB2) (resid 93 and name HN) 3.303 1.363 1.363 weight 1.000 ! spec=HCH, no=3589, id=6499, vol=9.880000e+06
assign (resid 93 and name HB1) (resid 93 and name HN) 3.452 1.490 1.490 weight 1.000 ! spec=HCH, no=3590, id=6500, vol=7.570000e+06
assign (resid 93 and name HB2) (resid 94 and name HD1) 3.917 1.918 1.918 weight 1.000 ! spec=HCH, no=3595, id=6505, vol=3.550000e+06
assign (resid 93 and name HB2) (resid 102 and name HA) 4.106 2.107 2.107 weight 1.000 ! spec=HCH, no=3596, id=6506, vol=2.680000e+06
assign (resid 93 and name HB1) (resid 104 and name HE3) 3.371 1.420 1.420 weight 1.000 ! spec=HCH, no=3599, id=6509, vol=8.740000e+06
assign (resid 93 and name HB1) (resid 115 and name HZ2) 3.887 1.889 1.889 weight 1.000 ! spec=HCH, no=3600, id=6510, vol=3.720000e+06
assign (resid 93 and name HG2) (resid 91 and name HD22) 3.598 1.618 1.618 weight 1.000 ! spec=HCH, no=3615, id=6522, vol=5.910000e+06
    or (resid 93 and name HG2) (resid 91 and name HD21)
    or (resid 93 and name HG2) (resid 91 and name HD23)
assign (resid 93 and name HN) (resid 93 and name HG2) 2.951 1.089 1.089 weight 1.000 ! spec=HCH, no=3616, id=6523, vol=1.940000e+07
assign (resid 93 and name HA) (resid 93 and name HG2) 2.859 1.022 1.022 weight 1.000 ! spec=HCH, no=3617, id=6524, vol=2.350000e+07
assign (resid 93 and name HG2) (resid 102 and name HD1) 2.666 0.888 0.888 weight 1.000 ! spec=HCH, no=3619, id=6526, vol=3.570000e+07
assign (resid 93 and name HG2) (resid 104 and name HZ3) 3.512 1.541 1.541 weight 1.000 ! spec=HCH, no=3620, id=6527, vol=6.840000e+06
assign (resid 94 and name HA) (resid 94 and name HB2) 2.437 0.743 0.743 weight 1.000 ! spec=HCH, no=3625, id=6531, vol=6.110000e+07
assign (resid 94 and name HA) (resid 94 and name HB1) 2.492 0.776 0.776 weight 1.000 ! spec=HCH, no=3626, id=6532, vol=5.350000e+07
assign (resid 94 and name HA) (resid 94 and name HD1) 3.001 1.125 1.125 weight 1.000 ! spec=HCH, no=3628, id=6534, vol=1.760000e+07
assign (resid 95 and name HN) (resid 94 and name HA) 2.341 0.685 0.685 weight 1.000 ! spec=HCH, no=3629, id=6535, vol=7.790000e+07
assign (resid 95 and name HN) (resid 94 and name HB2) 2.956 1.092 1.092 weight 1.000 ! spec=HCH, no=3632, id=6538, vol=1.920000e+07
assign (resid 94 and name HB1) (resid 94 and name HE1) 3.476 1.510 1.510 weight 1.000 ! spec=HCH, no=3637, id=6543, vol=7.270000e+06
    or (resid 94 and name HB1) (resid 94 and name HE2)
assign (resid 94 and name HB1) (resid 94 and name HB2) 2.370 0.702 0.702 weight 1.000 ! spec=HCH, no=3642, id=6548, vol=7.240000e+07
assign (resid 94 and name HB1) (resid 94 and name HD1) 2.727 0.929 0.929 weight 1.000 ! spec=HCH, no=3646, id=6552, vol=3.120000e+07
assign (resid 95 and name HA) (resid 94 and name HN) 3.744 1.752 1.752 weight 1.000 ! spec=HCH, no=3657, id=6562, vol=4.660000e+06
assign (resid 95 and name HA) (resid 95 and name HB2) 2.833 1.003 1.003 weight 1.000 ! spec=HCH, no=3661, id=6565, vol=2.480000e+07
assign (resid 95 and name HA) (resid 95 and name HB1) 2.914 1.061 1.061 weight 1.000 ! spec=HCH, no=3662, id=6566, vol=2.090000e+07
assign (resid 95 and name HA) (resid 96 and name HB1) 3.230 1.304 1.304 weight 1.000 ! spec=HCH, no=3665, id=6569, vol=1.130000e+07
assign (resid 95 and name HA) (resid 103 and name HG2) 3.677 1.690 1.690 weight 1.000 ! spec=HCH, no=3670, id=6574, vol=5.190000e+06
assign (resid 95 and name HB2) (resid 94 and name HA) 3.864 1.866 1.866 weight 1.000 ! spec=HCH, no=3672, id=6575, vol=3.850000e+06
assign (resid 95 and name HB1) (resid 94 and name HA) 3.860 1.863 1.863 weight 1.000 ! spec=HCH, no=3673, id=6576, vol=3.870000e+06
assign (resid 95 and name HB2) (resid 95 and name HN) 2.928 1.072 1.072 weight 1.000 ! spec=HCH, no=3674, id=6577, vol=2.040000e+07
assign (resid 95 and name HB2) (resid 95 and name HB1) 2.379 0.707 0.707 weight 1.000 ! spec=HCH, no=3678, id=6581, vol=7.080000e+07
assign (resid 95 and name HB1) (resid 95 and name HD1) 2.700 0.911 0.911 weight 1.000 ! spec=HCH, no=3680, id=6583, vol=3.310000e+07
assign (resid 95 and name HB2) (resid 102 and name HA) 3.939 1.940 1.940 weight 1.000 ! spec=HCH, no=3682, id=6585, vol=3.430000e+06
assign (resid 95 and name HB1) (resid 102 and name HE1) 3.379 1.427 1.427 weight 1.000 ! spec=HCH, no=3684, id=6587, vol=8.610000e+06
assign (resid 95 and name HB1) (resid 124 and name HB2) 4.225 2.231 2.231 weight 1.000 ! spec=HCH, no=3687, id=6590, vol=2.260000e+06
assign (resid 95 and name HB1) (resid 125 and name HG12) 4.012 2.012 2.012 weight 1.000 ! spec=HCH, no=3688, id=6591, vol=3.080000e+06
    or (resid 95 and name HB1) (resid 125 and name HG11)
    or (resid 95 and name HB1) (resid 125 and name HG13)
assign (resid 96 and name HB2) (resid 94 and name HD1) 3.559 1.584 1.584 weight 1.000 ! spec=HCH, no=3692, id=6595, vol=6.310000e+06
    or (resid 96 and name HB2) (resid 94 and name HD2)
assign (resid 97 and name HN) (resid 96 and name HB2) 3.588 1.609 1.609 weight 1.000 ! spec=HCH, no=3695, id=6598, vol=6.010000e+06
assign (resid 96 and name HB2) (resid 96 and name HB1) 2.258 0.637 0.637 weight 1.000 ! spec=HCH, no=3696, id=6599, vol=9.670000e+07
assign (resid 96 and name HB1) (resid 96 and name HA) 2.755 0.949 0.949 weight 1.000 ! spec=HCH, no=3702, id=6603, vol=2.930000e+07
assign (resid 96 and name HB1) (resid 99 and name HB2) 3.630 1.647 1.647 weight 1.000 ! spec=HCH, no=3705, id=6606, vol=5.600000e+06
assign (resid 96 and name HB1) (resid 95 and name HD1) 3.801 1.806 1.806 weight 1.000 ! spec=HCH, no=3709, id=6610, vol=4.250000e+06
assign (resid 96 and name HB2) (resid 96 and name HA) 2.929 1.072 1.072 weight 1.000 ! spec=HCH, no=3711, id=6612, vol=2.030000e+07
assign (resid 97 and name HA) (resid 96 and name HN) 3.693 1.704 1.704 weight 1.000 ! spec=HCH, no=3718, id=6619, vol=5.060000e+06
assign (resid 97 and name HA) (resid 96 and name HA) 3.238 1.311 1.311 weight 1.000 ! spec=HCH, no=3719, id=6620, vol=1.110000e+07
assign (resid 97 and name HA) (resid 125 and name HG22) 3.741 1.749 1.749 weight 1.000 ! spec=HCH, no=3728, id=6628, vol=4.680000e+06
    or (resid 97 and name HA) (resid 125 and name HG21)
    or (resid 97 and name HA) (resid 125 and name HG23)
assign (resid 97 and name HB) (resid 95 and name HD1) 3.604 1.623 1.623 weight 1.000 ! spec=HCH, no=3729, id=6629, vol=5.850000e+06
    or (resid 97 and name HB) (resid 95 and name HD2)
assign (resid 97 and name HB) (resid 100 and name HN) 3.723 1.733 1.733 weight 1.000 ! spec=HCH, no=3730, id=6630, vol=4.820000e+06
assign (resid 97 and name HB) (resid 95 and name HE1) 3.402 1.447 1.447 weight 1.000 ! spec=HCH, no=3731, id=6631, vol=8.260000e+06
    or (resid 97 and name HB) (resid 95 and name HE2)
assign (resid 97 and name HN) (resid 97 and name HB) 2.714 0.921 0.921 weight 1.000 ! spec=HCH, no=3732, id=6632, vol=3.210000e+07
assign (resid 97 and name HA) (resid 97 and name HB) 2.290 0.656 0.656 weight 1.000 ! spec=HCH, no=3733, id=6633, vol=8.880000e+07
assign (resid 97 and name HB) (resid 98 and name HN) 3.087 1.192 1.192 weight 1.000 ! spec=HCH, no=3736, id=6635, vol=1.480000e+07
assign (resid 97 and name HB) (resid 99 and name HN) 3.868 1.870 1.870 weight 1.000 ! spec=HCH, no=3737, id=6636, vol=3.830000e+06
assign (resid 97 and name HG21) (resid 124 and name HD22) 3.097 1.199 1.199 weight 1.000 ! spec=HCH, no=3739, id=6638, vol=1.450000e+07
    or (resid 97 and name HG21) (resid 124 and name HD21)
    or (resid 97 and name HG21) (resid 124 and name HD23)
    or (resid 97 and name HG22) (resid 124 and name HD22)
    or (resid 97 and name HG22) (resid 124 and name HD21)
    or (resid 97 and name HG22) (resid 124 and name HD23)
    or (resid 97 and name HG23) (resid 124 and name HD22)
    or (resid 97 and name HG23) (resid 124 and name HD21)
    or (resid 97 and name HG23) (resid 124 and name HD23)
assign (resid 97 and name HG21) (resid 95 and name HE1) 2.371 0.703 0.703 weight 1.000 ! spec=HCH, no=3742, id=6641, vol=7.220000e+07
    or (resid 97 and name HG21) (resid 95 and name HE2)
    or (resid 97 and name HG22) (resid 95 and name HE1)
    or (resid 97 and name HG22) (resid 95 and name HE2)
    or (resid 97 and name HG23) (resid 95 and name HE1)
    or (resid 97 and name HG23) (resid 95 and name HE2)
assign (resid 96 and name HN) (resid 97 and name HG21) 3.432 1.472 1.472 weight 1.000 ! spec=HCH, no=3743, id=6642, vol=7.850000e+06
    or (resid 96 and name HN) (resid 97 and name HG22)
    or (resid 96 and name HN) (resid 97 and name HG23)
assign (resid 98 and name HN) (resid 97 and name HG21) 2.881 1.037 1.037 weight 1.000 ! spec=HCH, no=3748, id=6646, vol=2.240000e+07
    or (resid 98 and name HN) (resid 97 and name HG22)
    or (resid 98 and name HN) (resid 97 and name HG23)
assign (resid 97 and name HG21) (resid 101 and name HN) 3.566 1.589 1.589 weight 1.000 ! spec=HCH, no=3749, id=6647, vol=6.240000e+06
    or (resid 97 and name HG22) (resid 101 and name HN)
    or (resid 97 and name HG23) (resid 101 and name HN)
assign (resid 97 and name HG21) (resid 96 and name HA) 2.741 0.939 0.939 weight 1.000 ! spec=HCH, no=3750, id=6648, vol=3.020000e+07
    or (resid 97 and name HG22) (resid 96 and name HA)
    or (resid 97 and name HG23) (resid 96 and name HA)
assign (resid 97 and name HG21) (resid 95 and name HB1) 3.199 1.279 1.279 weight 1.000 ! spec=HCH, no=3752, id=6650, vol=1.200000e+07
    or (resid 97 and name HG22) (resid 95 and name HB1)
    or (resid 97 and name HG23) (resid 95 and name HB1)
assign (resid 97 and name HN) (resid 97 and name HG21) 2.263 0.640 0.640 weight 1.000 ! spec=HCH, no=3754, id=6652, vol=9.550000e+07
    or (resid 97 and name HN) (resid 97 and name HG22)
    or (resid 97 and name HN) (resid 97 and name HG23)
assign (resid 97 and name HA) (resid 97 and name HG21) 2.231 0.622 0.622 weight 1.000 ! spec=HCH, no=3755, id=6653, vol=1.040000e+08
    or (resid 97 and name HA) (resid 97 and name HG22)
    or (resid 97 and name HA) (resid 97 and name HG23)
assign (resid 97 and name HB) (resid 97 and name HG21) 2.059 0.530 0.530 weight 1.000 ! spec=HCH, no=3756, id=6654, vol=1.680000e+08
    or (resid 97 and name HB) (resid 97 and name HG22)
    or (resid 97 and name HB) (resid 97 and name HG23)
assign (resid 97 and name HG21) (resid 97 and name HG22) 1.108 0.153 0.153 weight 1.000 ! spec=HCH, no=3757, id=6655, vol=6.940000e+09
    or (resid 97 and name HG21) (resid 97 and name HG23)
    or (resid 97 and name HG21) (resid 97 and name HG22)
    or (resid 97 and name HG22) (resid 97 and name HG23)
    or (resid 97 and name HG21) (resid 97 and name HG23)
    or (resid 97 and name HG22) (resid 97 and name HG23)
assign (resid 97 and name HG21) (resid 125 and name HG22) 2.293 0.657 0.657 weight 1.000 ! spec=HCH, no=3760, id=6658, vol=8.830000e+07
    or (resid 97 and name HG21) (resid 125 and name HG21)
    or (resid 97 and name HG21) (resid 125 and name HG23)
    or (resid 97 and name HG22) (resid 125 and name HG22)
    or (resid 97 and name HG22) (resid 125 and name HG21)
    or (resid 97 and name HG22) (resid 125 and name HG23)
    or (resid 97 and name HG23) (resid 125 and name HG22)
    or (resid 97 and name HG23) (resid 125 and name HG21)
    or (resid 97 and name HG23) (resid 125 and name HG23)
assign (resid 98 and name HA) (resid 98 and name HN) 2.541 0.807 0.807 weight 1.000 ! spec=HCH, no=3763, id=6661, vol=4.760000e+07
assign (resid 98 and name HA) (resid 98 and name HB2) 2.313 0.669 0.669 weight 1.000 ! spec=HCH, no=3764, id=6662, vol=8.370000e+07
assign (resid 98 and name HB2) (resid 98 and name HN) 2.673 0.893 0.893 weight 1.000 ! spec=HCH, no=3770, id=6668, vol=3.520000e+07
assign (resid 98 and name HB1) (resid 98 and name HA) 2.554 0.816 0.816 weight 1.000 ! spec=HCH, no=3771, id=6669, vol=4.610000e+07
assign (resid 98 and name HB2) (resid 98 and name HB1) 1.951 0.476 0.476 weight 1.000 ! spec=HCH, no=3773, id=6670, vol=2.330000e+08
assign (resid 99 and name HN) (resid 98 and name HB1) 2.941 1.081 1.081 weight 1.000 ! spec=HCH, no=3775, id=6672, vol=1.980000e+07
assign (resid 99 and name HA) (resid 99 and name HB2) 2.246 0.630 0.630 weight 1.000 ! spec=HCH, no=3777, id=6673, vol=1.000000e+08
assign (resid 99 and name HB2) (resid 99 and name HB1) 2.066 0.533 0.533 weight 1.000 ! spec=HCH, no=3780, id=6676, vol=1.650000e+08
assign (resid 100 and name HA) (resid 95 and name HD1) 3.803 1.808 1.808 weight 1.000 ! spec=HCH, no=3790, id=6685, vol=4.240000e+06
assign (resid 100 and name HA) (resid 99 and name HB2) 3.789 1.795 1.795 weight 1.000 ! spec=HCH, no=3792, id=6687, vol=4.330000e+06
assign (resid 100 and name HA) (resid 103 and name HE2) 4.101 2.103 2.103 weight 1.000 ! spec=HCH, no=3796, id=6690, vol=2.690000e+06
assign (resid 100 and name HB2) (resid 97 and name HB) 3.335 1.390 1.390 weight 1.000 ! spec=HCH, no=3797, id=6691, vol=9.320000e+06
    or (resid 100 and name HB1) (resid 97 and name HB)
    or (resid 100 and name HB3) (resid 97 and name HB)
assign (resid 97 and name HA) (resid 100 and name HB2) 2.915 1.062 1.062 weight 1.000 ! spec=HCH, no=3801, id=6695, vol=2.090000e+07
    or (resid 97 and name HA) (resid 100 and name HB1)
    or (resid 97 and name HA) (resid 100 and name HB3)
assign (resid 100 and name HB2) (resid 95 and name HE1) 2.933 1.075 1.075 weight 1.000 ! spec=HCH, no=3805, id=6698, vol=2.010000e+07
    or (resid 100 and name HB1) (resid 95 and name HE1)
    or (resid 100 and name HB3) (resid 95 and name HE1)
assign (resid 99 and name HN) (resid 100 and name HB2) 3.278 1.343 1.343 weight 1.000 ! spec=HCH, no=3806, id=6699, vol=1.030000e+07
    or (resid 99 and name HN) (resid 100 and name HB1)
    or (resid 99 and name HN) (resid 100 and name HB3)
assign (resid 100 and name HB2) (resid 99 and name HA) 3.084 1.189 1.189 weight 1.000 ! spec=HCH, no=3807, id=6700, vol=1.490000e+07
    or (resid 100 and name HB1) (resid 99 and name HA)
    or (resid 100 and name HB3) (resid 99 and name HA)
assign (resid 100 and name HN) (resid 100 and name HB2) 2.347 0.688 0.688 weight 1.000 ! spec=HCH, no=3808, id=6701, vol=7.680000e+07
    or (resid 100 and name HN) (resid 100 and name HB1)
    or (resid 100 and name HN) (resid 100 and name HB3)
assign (resid 100 and name HA) (resid 100 and name HB2) 1.997 0.499 0.499 weight 1.000 ! spec=HCH, no=3809, id=6702, vol=2.020000e+08
    or (resid 100 and name HA) (resid 100 and name HB1)
    or (resid 100 and name HA) (resid 100 and name HB3)
assign (resid 100 and name HB2) (resid 100 and name HB1) 1.192 0.178 0.178 weight 1.000 ! spec=HCH, no=3810, id=6703, vol=4.470000e+09
    or (resid 100 and name HB2) (resid 100 and name HB3)
    or (resid 100 and name HB2) (resid 100 and name HB1)
    or (resid 100 and name HB1) (resid 100 and name HB3)
    or (resid 100 and name HB2) (resid 100 and name HB3)
    or (resid 100 and name HB1) (resid 100 and name HB3)
assign (resid 101 and name HN) (resid 100 and name HB2) 2.758 0.951 0.951 weight 1.000 ! spec=HCH, no=3811, id=6704, vol=2.920000e+07
    or (resid 101 and name HN) (resid 100 and name HB1)
    or (resid 101 and name HN) (resid 100 and name HB3)
assign (resid 101 and name HA) (resid 95 and name HE1) 2.760 0.952 0.952 weight 1.000 ! spec=HCH, no=3823, id=6714, vol=2.900000e+07
assign (resid 101 and name HN) (resid 101 and name HA) 2.641 0.872 0.872 weight 1.000 ! spec=HCH, no=3824, id=6715, vol=3.780000e+07
assign (resid 102 and name HN) (resid 101 and name HA) 2.244 0.629 0.629 weight 1.000 ! spec=HCH, no=3827, id=6717, vol=1.000000e+08
assign (resid 101 and name HB2) (resid 103 and name HG2) 3.228 1.302 1.302 weight 1.000 ! spec=HCH, no=3828, id=6718, vol=1.130000e+07
    or (resid 101 and name HB2) (resid 103 and name HG1)
assign (resid 101 and name HB2) (resid 100 and name HB2) 3.868 1.870 1.870 weight 1.000 ! spec=HCH, no=3829, id=6719, vol=3.830000e+06
    or (resid 101 and name HB2) (resid 100 and name HB1)
    or (resid 101 and name HB2) (resid 100 and name HB3)
assign (resid 101 and name HB2) (resid 99 and name HB2) 3.385 1.432 1.432 weight 1.000 ! spec=HCH, no=3831, id=6721, vol=8.520000e+06
assign (resid 101 and name HB1) (resid 100 and name HB2) 3.925 1.926 1.926 weight 1.000 ! spec=HCH, no=3833, id=6723, vol=3.510000e+06
    or (resid 101 and name HB1) (resid 100 and name HB1)
    or (resid 101 and name HB1) (resid 100 and name HB3)
assign (resid 101 and name HB1) (resid 103 and name HG2) 3.069 1.177 1.177 weight 1.000 ! spec=HCH, no=3834, id=6724, vol=1.540000e+07
    or (resid 101 and name HB1) (resid 103 and name HG1)
assign (resid 99 and name HB2) (resid 101 and name HB1) 3.342 1.396 1.396 weight 1.000 ! spec=HCH, no=3835, id=6725, vol=9.200000e+06
assign (resid 101 and name HB2) (resid 101 and name HN) 3.003 1.127 1.127 weight 1.000 ! spec=HCH, no=3838, id=6728, vol=1.750000e+07
assign (resid 101 and name HB1) (resid 101 and name HN) 2.984 1.113 1.113 weight 1.000 ! spec=HCH, no=3839, id=6729, vol=1.820000e+07
assign (resid 101 and name HB2) (resid 101 and name HA) 2.482 0.770 0.770 weight 1.000 ! spec=HCH, no=3840, id=6730, vol=5.490000e+07
assign (resid 101 and name HA) (resid 101 and name HB1) 2.518 0.792 0.792 weight 1.000 ! spec=HCH, no=3841, id=6731, vol=5.030000e+07
assign (resid 101 and name HB2) (resid 102 and name HA) 3.648 1.663 1.663 weight 1.000 ! spec=HCH, no=3846, id=6734, vol=5.440000e+06
assign (resid 101 and name HB2) (resid 103 and name HE2) 3.248 1.319 1.319 weight 1.000 ! spec=HCH, no=3848, id=6736, vol=1.090000e+07
assign (resid 102 and name HA) (resid 102 and name HB2) 3.012 1.134 1.134 weight 1.000 ! spec=HCH, no=3851, id=6738, vol=1.720000e+07
assign (resid 95 and name HA) (resid 102 and name HA) 2.620 0.858 0.858 weight 1.000 ! spec=HCH, no=3855, id=6741, vol=3.970000e+07
assign (resid 101 and name HB1) (resid 102 and name HA) 3.506 1.537 1.537 weight 1.000 ! spec=HCH, no=3857, id=6743, vol=6.900000e+06
assign (resid 102 and name HN) (resid 102 and name HA) 2.361 0.697 0.697 weight 1.000 ! spec=HCH, no=3858, id=6744, vol=7.400000e+07
assign (resid 102 and name HA) (resid 102 and name HB1) 2.840 1.008 1.008 weight 1.000 ! spec=HCH, no=3859, id=6745, vol=2.440000e+07
assign (resid 102 and name HA) (resid 102 and name HD1) 2.889 1.043 1.043 weight 1.000 ! spec=HCH, no=3860, id=6746, vol=2.210000e+07
assign (resid 103 and name HN) (resid 102 and name HA) 2.360 0.696 0.696 weight 1.000 ! spec=HCH, no=3861, id=6747, vol=7.430000e+07
assign (resid 102 and name HA) (resid 103 and name HG2) 3.013 1.135 1.135 weight 1.000 ! spec=HCH, no=3862, id=6748, vol=1.710000e+07
assign (resid 102 and name HB1) (resid 93 and name HB2) 3.361 1.412 1.412 weight 1.000 ! spec=HCH, no=3868, id=6754, vol=8.890000e+06
assign (resid 103 and name HA) (resid 103 and name HB1) 2.609 0.851 0.851 weight 1.000 ! spec=HCH, no=3880, id=6766, vol=4.060000e+07
assign (resid 103 and name HA) (resid 103 and name HB2) 2.868 1.028 1.028 weight 1.000 ! spec=HCH, no=3886, id=6771, vol=2.310000e+07
assign (resid 103 and name HA) (resid 103 and name HG2) 2.397 0.718 0.718 weight 1.000 ! spec=HCH, no=3887, id=6772, vol=6.770000e+07
assign (resid 103 and name HA) (resid 104 and name HB2) 3.546 1.572 1.572 weight 1.000 ! spec=HCH, no=3889, id=6774, vol=6.450000e+06
assign (resid 103 and name HA) (resid 110 and name HB2) 3.665 1.679 1.679 weight 1.000 ! spec=HCH, no=3890, id=6775, vol=5.290000e+06
assign (resid 96 and name HN) (resid 103 and name HB2) 4.120 2.122 2.122 weight 1.000 ! spec=HCH, no=3895, id=6780, vol=2.620000e+06
assign (resid 103 and name HB2) (resid 93 and name HA) 4.182 2.187 2.187 weight 1.000 ! spec=HCH, no=3896, id=6781, vol=2.400000e+06
assign (resid 103 and name HB1) (resid 94 and name HZ) 3.831 1.834 1.834 weight 1.000 ! spec=HCH, no=3897, id=6782, vol=4.060000e+06
assign (resid 103 and name HB1) (resid 94 and name HE1) 3.576 1.599 1.599 weight 1.000 ! spec=HCH, no=3898, id=6783, vol=6.130000e+06
    or (resid 103 and name HB1) (resid 94 and name HE2)
assign (resid 103 and name HB1) (resid 103 and name HE1) 3.905 1.906 1.906 weight 1.000 ! spec=HCH, no=3899, id=6784, vol=3.620000e+06
assign (resid 103 and name HB2) (resid 102 and name HA) 4.077 2.078 2.078 weight 1.000 ! spec=HCH, no=3906, id=6791, vol=2.790000e+06
assign (resid 103 and name HB1) (resid 103 and name HB2) 2.279 0.649 0.649 weight 1.000 ! spec=HCH, no=3908, id=6792, vol=9.160000e+07
assign (resid 103 and name HB1) (resid 103 and name HD1) 3.068 1.177 1.177 weight 1.000 ! spec=HCH, no=3912, id=6795, vol=1.540000e+07
assign (resid 103 and name HB1) (resid 103 and name HG2) 2.628 0.864 0.864 weight 1.000 ! spec=HCH, no=3915, id=6798, vol=3.890000e+07
assign (resid 103 and name HD2) (resid 103 and name HD1) 2.156 0.581 0.581 weight 1.000 ! spec=HCH, no=3916, id=6799, vol=1.280000e+08
assign (resid 103 and name HD2) (resid 103 and name HG2) 2.645 0.874 0.874 weight 1.000 ! spec=HCH, no=3918, id=6801, vol=3.750000e+07
    or (resid 103 and name HD2) (resid 103 and name HG1)
assign (resid 103 and name HD2) (resid 94 and name HE1) 3.312 1.371 1.371 weight 1.000 ! spec=HCH, no=3921, id=6804, vol=9.720000e+06
    or (resid 103 and name HD2) (resid 94 and name HE2)
assign (resid 103 and name HD1) (resid 96 and name HA) 3.778 1.784 1.784 weight 1.000 ! spec=HCH, no=3924, id=6807, vol=4.410000e+06
assign (resid 103 and name HD2) (resid 103 and name HB2) 3.057 1.168 1.168 weight 1.000 ! spec=HCH, no=3925, id=6808, vol=1.570000e+07
assign (resid 103 and name HB2) (resid 103 and name HD1) 3.147 1.238 1.238 weight 1.000 ! spec=HCH, no=3926, id=6809, vol=1.320000e+07
assign (resid 101 and name HB1) (resid 103 and name HE2) 3.113 1.211 1.211 weight 1.000 ! spec=HCH, no=3929, id=6812, vol=1.410000e+07
assign (resid 103 and name HE1) (resid 101 and name HB1) 3.034 1.151 1.151 weight 1.000 ! spec=HCH, no=3930, id=6813, vol=1.640000e+07
assign (resid 103 and name HE1) (resid 99 and name HB2) 3.060 1.170 1.170 weight 1.000 ! spec=HCH, no=3932, id=6815, vol=1.560000e+07
assign (resid 103 and name HB2) (resid 103 and name HE2) 3.630 1.647 1.647 weight 1.000 ! spec=HCH, no=3933, id=6816, vol=5.610000e+06
assign (resid 103 and name HE1) (resid 103 and name HB2) 3.529 1.557 1.557 weight 1.000 ! spec=HCH, no=3934, id=6817, vol=6.640000e+06
assign (resid 103 and name HE2) (resid 103 and name HD2) 2.806 0.984 0.984 weight 1.000 ! spec=HCH, no=3935, id=6818, vol=2.630000e+07
assign (resid 103 and name HE2) (resid 103 and name HD1) 2.861 1.023 1.023 weight 1.000 ! spec=HCH, no=3936, id=6819, vol=2.340000e+07
assign (resid 103 and name HE2) (resid 103 and name HE1) 1.823 0.415 0.415 weight 1.000 ! spec=HCH, no=3937, id=6820, vol=3.500000e+08
assign (resid 103 and name HE2) (resid 103 and name HG2) 2.690 0.905 0.905 weight 1.000 ! spec=HCH, no=3938, id=6821, vol=3.380000e+07
assign (resid 103 and name HE1) (resid 103 and name HG2) 2.453 0.752 0.752 weight 1.000 ! spec=HCH, no=3939, id=6822, vol=5.880000e+07
assign (resid 103 and name HG2) (resid 94 and name HD1) 4.034 2.034 2.034 weight 1.000 ! spec=HCH, no=3950, id=6832, vol=2.970000e+06
assign (resid 103 and name HG2) (resid 96 and name HB2) 2.935 1.077 1.077 weight 1.000 ! spec=HCH, no=3951, id=6833, vol=2.000000e+07
assign (resid 103 and name HB2) (resid 103 and name HG2) 2.669 0.890 0.890 weight 1.000 ! spec=HCH, no=3953, id=6835, vol=3.550000e+07
assign (resid 103 and name HD2) (resid 103 and name HG2) 2.377 0.706 0.706 weight 1.000 ! spec=HCH, no=3954, id=6836, vol=7.110000e+07
assign (resid 103 and name HD1) (resid 103 and name HG2) 2.553 0.815 0.815 weight 1.000 ! spec=HCH, no=3955, id=6837, vol=4.630000e+07
assign (resid 104 and name HA) (resid 105 and name HB2) 3.442 1.481 1.481 weight 1.000 ! spec=HCH, no=3962, id=6843, vol=7.710000e+06
assign (resid 104 and name HA) (resid 93 and name HN) 3.783 1.789 1.789 weight 1.000 ! spec=HCH, no=3964, id=6845, vol=4.380000e+06
assign (resid 104 and name HA) (resid 93 and name HG2) 3.502 1.533 1.533 weight 1.000 ! spec=HCH, no=3967, id=6848, vol=6.950000e+06
    or (resid 104 and name HA) (resid 93 and name HG1)
assign (resid 104 and name HA) (resid 94 and name HN) 3.372 1.421 1.421 weight 1.000 ! spec=HCH, no=3968, id=6849, vol=8.730000e+06
assign (resid 104 and name HA) (resid 104 and name HB2) 3.115 1.213 1.213 weight 1.000 ! spec=HCH, no=3970, id=6851, vol=1.400000e+07
assign (resid 104 and name HA) (resid 104 and name HB1) 3.073 1.180 1.180 weight 1.000 ! spec=HCH, no=3971, id=6852, vol=1.520000e+07
assign (resid 104 and name HB2) (resid 107 and name HN) 3.871 1.873 1.873 weight 1.000 ! spec=HCH, no=3975, id=6856, vol=3.810000e+06
assign (resid 104 and name HB1) (resid 103 and name HA) 3.955 1.956 1.956 weight 1.000 ! spec=HCH, no=3978, id=6859, vol=3.350000e+06
assign (resid 104 and name HB1) (resid 104 and name HB2) 2.797 0.978 0.978 weight 1.000 ! spec=HCH, no=3988, id=6868, vol=2.680000e+07
assign (resid 104 and name HB1) (resid 105 and name HN) 3.663 1.677 1.677 weight 1.000 ! spec=HCH, no=3994, id=6874, vol=5.310000e+06
assign (resid 105 and name HA) (resid 105 and name HB2) 2.963 1.098 1.098 weight 1.000 ! spec=HCH, no=4002, id=6880, vol=1.890000e+07
assign (resid 105 and name HB2) (resid 107 and name HN) 4.040 2.040 2.040 weight 1.000 ! spec=HCH, no=4004, id=6882, vol=2.950000e+06
assign (resid 105 and name HB1) (resid 62 and name HA) 4.119 2.121 2.121 weight 1.000 ! spec=HCH, no=4013, id=6891, vol=2.620000e+06
assign (resid 105 and name HB1) (resid 104 and name HA) 3.967 1.967 1.967 weight 1.000 ! spec=HCH, no=4017, id=6895, vol=3.290000e+06
assign (resid 105 and name HB1) (resid 63 and name HN) 3.935 1.935 1.935 weight 1.000 ! spec=HCH, no=4020, id=6898, vol=3.460000e+06
assign (resid 105 and name HB2) (resid 104 and name HE3) 3.632 1.649 1.649 weight 1.000 ! spec=HCH, no=4021, id=6899, vol=5.590000e+06
assign (resid 105 and name HB1) (resid 105 and name HA) 3.022 1.141 1.141 weight 1.000 ! spec=HCH, no=4025, id=6903, vol=1.680000e+07
assign (resid 105 and name HB1) (resid 105 and name HB2) 2.578 0.831 0.831 weight 1.000 ! spec=HCH, no=4026, id=6904, vol=4.370000e+07
assign (resid 105 and name HB1) (resid 106 and name HA) 3.458 1.495 1.495 weight 1.000 ! spec=HCH, no=4032, id=6910, vol=7.500000e+06
assign (resid 106 and name HA) (resid 106 and name HB2) 2.451 0.751 0.751 weight 1.000 ! spec=HCH, no=4035, id=6912, vol=5.920000e+07
assign (resid 106 and name HA) (resid 106 and name HB1) 2.403 0.722 0.722 weight 1.000 ! spec=HCH, no=4036, id=6913, vol=6.670000e+07
assign (resid 106 and name HA) (resid 107 and name HN) 3.109 1.208 1.208 weight 1.000 ! spec=HCH, no=4037, id=6914, vol=1.420000e+07
assign (resid 106 and name HB1) (resid 106 and name HN) 3.320 1.378 1.378 weight 1.000 ! spec=HCH, no=4043, id=6920, vol=9.570000e+06
assign (resid 106 and name HB1) (resid 106 and name HB2) 2.524 0.796 0.796 weight 1.000 ! spec=HCH, no=4046, id=6923, vol=4.960000e+07
assign (resid 107 and name HA) (resid 107 and name HB1) 2.505 0.784 0.784 weight 1.000 ! spec=HCH, no=4051, id=6927, vol=5.190000e+07
assign (resid 107 and name HN) (resid 107 and name HB1) 3.110 1.209 1.209 weight 1.000 ! spec=HCH, no=4060, id=6936, vol=1.420000e+07
assign (resid 107 and name HA) (resid 107 and name HB2) 2.616 0.855 0.855 weight 1.000 ! spec=HCH, no=4061, id=6937, vol=4.000000e+07
assign (resid 107 and name HB1) (resid 107 and name HB2) 1.766 0.390 0.390 weight 1.000 ! spec=HCH, no=4065, id=6940, vol=4.220000e+08
assign (resid 107 and name HD22) (resid 107 and name HB1) 3.255 1.324 1.324 weight 1.000 ! spec=HCH, no=4071, id=6945, vol=1.080000e+07
assign (resid 108 and name HN) (resid 107 and name HB1) 3.899 1.900 1.900 weight 1.000 ! spec=HCH, no=4073, id=6947, vol=3.650000e+06
assign (resid 108 and name HA) (resid 104 and name HB2) 3.455 1.492 1.492 weight 1.000 ! spec=HCH, no=4074, id=6948, vol=7.540000e+06
assign (resid 108 and name HA) (resid 108 and name HB2) 2.624 0.861 0.861 weight 1.000 ! spec=HCH, no=4076, id=6950, vol=3.920000e+07
assign (resid 108 and name HA) (resid 108 and name HB1) 2.557 0.818 0.818 weight 1.000 ! spec=HCH, no=4077, id=6951, vol=4.580000e+07
assign (resid 109 and name HN) (resid 108 and name HA) 2.522 0.795 0.795 weight 1.000 ! spec=HCH, no=4078, id=6952, vol=4.990000e+07
assign (resid 108 and name HN) (resid 108 and name HB1) 3.017 1.137 1.137 weight 1.000 ! spec=HCH, no=4083, id=6957, vol=1.700000e+07
assign (resid 109 and name HN) (resid 109 and name HA) 2.737 0.936 0.936 weight 1.000 ! spec=HCH, no=4087, id=6961, vol=3.050000e+07
assign (resid 109 and name HA) (resid 109 and name HB2) 2.350 0.690 0.690 weight 1.000 ! spec=HCH, no=4089, id=6962, vol=7.610000e+07
assign (resid 109 and name HB2) (resid 111 and name HG21) 2.530 0.800 0.800 weight 1.000 ! spec=HCH, no=4094, id=6967, vol=4.890000e+07
    or (resid 109 and name HB2) (resid 111 and name HG22)
    or (resid 109 and name HB2) (resid 111 and name HG23)
assign (resid 110 and name HN) (resid 109 and name HB2) 2.977 1.108 1.108 weight 1.000 ! spec=HCH, no=4097, id=6970, vol=1.840000e+07
assign (resid 110 and name HA) (resid 111 and name HA) 3.219 1.295 1.295 weight 1.000 ! spec=HCH, no=4100, id=6973, vol=1.150000e+07
assign (resid 110 and name HA) (resid 110 and name HB2) 2.741 0.939 0.939 weight 1.000 ! spec=HCH, no=4105, id=6977, vol=3.030000e+07
assign (resid 110 and name HA) (resid 110 and name HB1) 2.874 1.033 1.033 weight 1.000 ! spec=HCH, no=4106, id=6978, vol=2.270000e+07
assign (resid 110 and name HA) (resid 110 and name HG2) 3.036 1.153 1.153 weight 1.000 ! spec=HCH, no=4107, id=6979, vol=1.640000e+07
assign (resid 110 and name HA) (resid 110 and name HG1) 3.072 1.179 1.179 weight 1.000 ! spec=HCH, no=4108, id=6980, vol=1.530000e+07
assign (resid 110 and name HB1) (resid 110 and name HB2) 2.300 0.661 0.661 weight 1.000 ! spec=HCH, no=4126, id=6998, vol=8.660000e+07
assign (resid 110 and name HE2) (resid 104 and name HN) 3.518 1.547 1.547 weight 1.000 ! spec=HCH, no=4133, id=7004, vol=6.770000e+06
    or (resid 110 and name HE1) (resid 104 and name HN)
    or (resid 110 and name HE3) (resid 104 and name HN)
assign (resid 110 and name HE2) (resid 104 and name HZ2) 3.298 1.360 1.360 weight 1.000 ! spec=HCH, no=4135, id=7006, vol=9.960000e+06
    or (resid 110 and name HE1) (resid 104 and name HZ2)
    or (resid 110 and name HE3) (resid 104 and name HZ2)
assign (resid 110 and name HE2) (resid 104 and name HB2) 3.243 1.315 1.315 weight 1.000 ! spec=HCH, no=4137, id=7008, vol=1.100000e+07
    or (resid 110 and name HE1) (resid 104 and name HB2)
    or (resid 110 and name HE3) (resid 104 and name HB2)
assign (resid 110 and name HE2) (resid 102 and name HB2) 2.768 0.958 0.958 weight 1.000 ! spec=HCH, no=4148, id=7018, vol=2.850000e+07
    or (resid 110 and name HE1) (resid 102 and name HB2)
    or (resid 110 and name HE3) (resid 102 and name HB2)
assign (resid 110 and name HG2) (resid 113 and name HB2) 3.660 1.675 1.675 weight 1.000 ! spec=HCH, no=4158, id=7028, vol=5.330000e+06
assign (resid 110 and name HG1) (resid 113 and name HB2) 3.894 1.895 1.895 weight 1.000 ! spec=HCH, no=4159, id=7029, vol=3.680000e+06
assign (resid 110 and name HG1) (resid 111 and name HA) 4.040 2.040 2.040 weight 1.000 ! spec=HCH, no=4163, id=7033, vol=2.950000e+06
assign (resid 110 and name HG2) (resid 104 and name HD1) 3.990 1.990 1.990 weight 1.000 ! spec=HCH, no=4166, id=7036, vol=3.180000e+06
assign (resid 110 and name HG2) (resid 110 and name HB1) 2.541 0.807 0.807 weight 1.000 ! spec=HCH, no=4174, id=7044, vol=4.770000e+07
assign (resid 110 and name HB1) (resid 110 and name HG1) 2.590 0.838 0.838 weight 1.000 ! spec=HCH, no=4175, id=7045, vol=4.250000e+07
assign (resid 110 and name HG1) (resid 110 and name HG2) 1.904 0.453 0.453 weight 1.000 ! spec=HCH, no=4177, id=7046, vol=2.690000e+08
assign (resid 110 and name HG2) (resid 110 and name HE2) 2.861 1.023 1.023 weight 1.000 ! spec=HCH, no=4180, id=7048, vol=2.340000e+07
    or (resid 110 and name HG2) (resid 110 and name HE1)
    or (resid 110 and name HG2) (resid 110 and name HE3)
assign (resid 110 and name HG1) (resid 110 and name HE2) 2.792 0.975 0.975 weight 1.000 ! spec=HCH, no=4181, id=7049, vol=2.700000e+07
    or (resid 110 and name HG1) (resid 110 and name HE1)
    or (resid 110 and name HG1) (resid 110 and name HE3)
assign (resid 111 and name HG21) (resid 67 and name HB1) 3.651 1.666 1.666 weight 1.000 ! spec=HCH, no=4190, id=7057, vol=5.420000e+06
    or (resid 111 and name HG22) (resid 67 and name HB1)
    or (resid 111 and name HG23) (resid 67 and name HB1)
assign (resid 109 and name HB2) (resid 111 and name HG21) 2.206 0.608 0.608 weight 1.000 ! spec=HCH, no=4192, id=7059, vol=1.110000e+08
    or (resid 111 and name HG21) (resid 109 and name HB1)
    or (resid 109 and name HB2) (resid 111 and name HG22)
    or (resid 111 and name HG22) (resid 109 and name HB1)
    or (resid 109 and name HB2) (resid 111 and name HG23)
    or (resid 111 and name HG23) (resid 109 and name HB1)
assign (resid 109 and name HN) (resid 111 and name HG21) 3.508 1.538 1.538 weight 1.000 ! spec=HCH, no=4195, id=7062, vol=6.880000e+06
    or (resid 109 and name HN) (resid 111 and name HG22)
    or (resid 109 and name HN) (resid 111 and name HG23)
assign (resid 111 and name HG21) (resid 104 and name HD1) 3.619 1.637 1.637 weight 1.000 ! spec=HCH, no=4196, id=7063, vol=5.710000e+06
    or (resid 111 and name HG22) (resid 104 and name HD1)
    or (resid 111 and name HG23) (resid 104 and name HD1)
assign (resid 111 and name HG21) (resid 104 and name HE1) 3.730 1.739 1.739 weight 1.000 ! spec=HCH, no=4197, id=7064, vol=4.760000e+06
    or (resid 111 and name HG22) (resid 104 and name HE1)
    or (resid 111 and name HG23) (resid 104 and name HE1)
assign (resid 110 and name HN) (resid 111 and name HG21) 3.472 1.507 1.507 weight 1.000 ! spec=HCH, no=4198, id=7065, vol=7.320000e+06
    or (resid 110 and name HN) (resid 111 and name HG22)
    or (resid 110 and name HN) (resid 111 and name HG23)
assign (resid 111 and name HG21) (resid 110 and name HA) 3.701 1.712 1.712 weight 1.000 ! spec=HCH, no=4199, id=7066, vol=4.990000e+06
    or (resid 111 and name HG22) (resid 110 and name HA)
    or (resid 111 and name HG23) (resid 110 and name HA)
assign (resid 111 and name HG21) (resid 111 and name HA) 2.015 0.508 0.508 weight 1.000 ! spec=HCH, no=4200, id=7067, vol=1.910000e+08
    or (resid 111 and name HG22) (resid 111 and name HA)
    or (resid 111 and name HG23) (resid 111 and name HA)
assign (resid 111 and name HG21) (resid 111 and name HB) 2.232 0.623 0.623 weight 1.000 ! spec=HCH, no=4201, id=7068, vol=1.040000e+08
    or (resid 111 and name HG22) (resid 111 and name HB)
    or (resid 111 and name HG23) (resid 111 and name HB)
assign (resid 111 and name HG21) (resid 111 and name HG22) 1.155 0.167 0.167 weight 1.000 ! spec=HCH, no=4202, id=7069, vol=5.410000e+09
    or (resid 111 and name HG21) (resid 111 and name HG23)
    or (resid 111 and name HG21) (resid 111 and name HG22)
    or (resid 111 and name HG22) (resid 111 and name HG23)
    or (resid 111 and name HG21) (resid 111 and name HG23)
    or (resid 111 and name HG22) (resid 111 and name HG23)
assign (resid 112 and name HB2) (resid 112 and name HD1) 2.709 0.917 0.917 weight 1.000 ! spec=HCH, no=4205, id=7072, vol=3.240000e+07
    or (resid 112 and name HB2) (resid 112 and name HD2)
assign (resid 112 and name HB1) (resid 67 and name HA) 3.209 1.287 1.287 weight 1.000 ! spec=HCH, no=4211, id=7078, vol=1.180000e+07
assign (resid 113 and name HN) (resid 112 and name HB1) 3.489 1.522 1.522 weight 1.000 ! spec=HCH, no=4212, id=7079, vol=7.110000e+06
assign (resid 112 and name HB1) (resid 68 and name HD21) 3.933 1.933 1.933 weight 1.000 ! spec=HCH, no=4213, id=7080, vol=3.470000e+06
assign (resid 112 and name HB1) (resid 112 and name HD1) 2.649 0.877 0.877 weight 1.000 ! spec=HCH, no=4214, id=7081, vol=3.710000e+07
    or (resid 112 and name HB1) (resid 112 and name HD2)
assign (resid 112 and name HB2) (resid 66 and name HB) 3.765 1.772 1.772 weight 1.000 ! spec=HCH, no=4215, id=7082, vol=4.500000e+06
assign (resid 112 and name HB1) (resid 66 and name HG22) 3.620 1.638 1.638 weight 1.000 ! spec=HCH, no=4216, id=7083, vol=5.700000e+06
    or (resid 112 and name HB1) (resid 66 and name HG21)
    or (resid 112 and name HB1) (resid 66 and name HG23)
assign (resid 112 and name HB1) (resid 68 and name HA) 3.454 1.491 1.491 weight 1.000 ! spec=HCH, no=4217, id=7084, vol=7.560000e+06
assign (resid 112 and name HB2) (resid 112 and name HA) 2.948 1.086 1.086 weight 1.000 ! spec=HCH, no=4220, id=7087, vol=1.950000e+07
assign (resid 112 and name HB1) (resid 112 and name HA) 2.758 0.951 0.951 weight 1.000 ! spec=HCH, no=4221, id=7088, vol=2.920000e+07
assign (resid 112 and name HB1) (resid 112 and name HB2) 2.440 0.744 0.744 weight 1.000 ! spec=HCH, no=4223, id=7089, vol=6.070000e+07
assign (resid 113 and name HA) (resid 113 and name HN) 3.118 1.215 1.215 weight 1.000 ! spec=HCH, no=4226, id=7092, vol=1.390000e+07
assign (resid 113 and name HA) (resid 112 and name HD1) 3.180 1.264 1.264 weight 1.000 ! spec=HCH, no=4227, id=7093, vol=1.240000e+07
    or (resid 113 and name HA) (resid 112 and name HD2)
assign (resid 113 and name HA) (resid 114 and name HB2) 4.069 2.069 2.069 weight 1.000 ! spec=HCH, no=4228, id=7094, vol=2.830000e+06
assign (resid 113 and name HA) (resid 114 and name HG2) 3.515 1.545 1.545 weight 1.000 ! spec=HCH, no=4229, id=7095, vol=6.800000e+06
assign (resid 113 and name HA) (resid 115 and name HN) 3.408 1.452 1.452 weight 1.000 ! spec=HCH, no=4231, id=7097, vol=8.180000e+06
assign (resid 113 and name HA) (resid 114 and name HB1) 3.642 1.658 1.658 weight 1.000 ! spec=HCH, no=4232, id=7098, vol=5.500000e+06
assign (resid 113 and name HA) (resid 66 and name HB) 3.987 1.987 1.987 weight 1.000 ! spec=HCH, no=4233, id=7099, vol=3.190000e+06
assign (resid 113 and name HA) (resid 113 and name HB2) 2.560 0.819 0.819 weight 1.000 ! spec=HCH, no=4236, id=7101, vol=4.550000e+07
assign (resid 113 and name HA) (resid 113 and name HB1) 2.563 0.821 0.821 weight 1.000 ! spec=HCH, no=4237, id=7102, vol=4.530000e+07
assign (resid 113 and name HA) (resid 114 and name HA) 3.664 1.678 1.678 weight 1.000 ! spec=HCH, no=4239, id=7104, vol=5.300000e+06
assign (resid 115 and name HE1) (resid 113 and name HA) 3.880 1.882 1.882 weight 1.000 ! spec=HCH, no=4240, id=7105, vol=3.760000e+06
assign (resid 113 and name HB2) (resid 114 and name HA) 3.759 1.766 1.766 weight 1.000 ! spec=HCH, no=4245, id=7110, vol=4.540000e+06
assign (resid 113 and name HB2) (resid 91 and name HD22) 3.870 1.873 1.873 weight 1.000 ! spec=HCH, no=4248, id=7113, vol=3.810000e+06
    or (resid 113 and name HB2) (resid 91 and name HD21)
    or (resid 113 and name HB2) (resid 91 and name HD23)
assign (resid 114 and name HN) (resid 113 and name HB1) 2.917 1.063 1.063 weight 1.000 ! spec=HCH, no=4259, id=7124, vol=2.080000e+07
assign (resid 113 and name HB1) (resid 115 and name HN) 3.499 1.530 1.530 weight 1.000 ! spec=HCH, no=4264, id=7129, vol=6.990000e+06
assign (resid 113 and name HB1) (resid 104 and name HZ2) 4.191 2.196 2.196 weight 1.000 ! spec=HCH, no=4265, id=7130, vol=2.370000e+06
assign (resid 113 and name HB1) (resid 113 and name HB2) 2.295 0.658 0.658 weight 1.000 ! spec=HCH, no=4269, id=7134, vol=8.790000e+07
assign (resid 113 and name HB1) (resid 138 and name HE3) 3.587 1.609 1.609 weight 1.000 ! spec=HCH, no=4273, id=7137, vol=6.020000e+06
assign (resid 113 and name HB2) (resid 138 and name HH2) 3.784 1.790 1.790 weight 1.000 ! spec=HCH, no=4274, id=7138, vol=4.370000e+06
assign (resid 114 and name HA) (resid 112 and name HD1) 3.715 1.726 1.726 weight 1.000 ! spec=HCH, no=4279, id=7143, vol=4.870000e+06
    or (resid 114 and name HA) (resid 112 and name HD2)
assign (resid 114 and name HA) (resid 114 and name HB2) 2.698 0.910 0.910 weight 1.000 ! spec=HCH, no=4284, id=7147, vol=3.320000e+07
assign (resid 114 and name HA) (resid 114 and name HB1) 2.625 0.861 0.861 weight 1.000 ! spec=HCH, no=4285, id=7148, vol=3.920000e+07
assign (resid 114 and name HA) (resid 114 and name HG2) 2.726 0.929 0.929 weight 1.000 ! spec=HCH, no=4286, id=7149, vol=3.120000e+07
assign (resid 114 and name HA) (resid 114 and name HG1) 2.759 0.952 0.952 weight 1.000 ! spec=HCH, no=4287, id=7150, vol=2.910000e+07
assign (resid 114 and name HA) (resid 115 and name HA) 3.715 1.725 1.725 weight 1.000 ! spec=HCH, no=4289, id=7152, vol=4.880000e+06
assign (resid 114 and name HB2) (resid 138 and name HB1) 3.805 1.810 1.810 weight 1.000 ! spec=HCH, no=4290, id=7153, vol=4.220000e+06
assign (resid 114 and name HB2) (resid 113 and name HB2) 3.672 1.686 1.686 weight 1.000 ! spec=HCH, no=4302, id=7165, vol=5.230000e+06
assign (resid 114 and name HN) (resid 114 and name HB1) 3.022 1.142 1.142 weight 1.000 ! spec=HCH, no=4305, id=7168, vol=1.680000e+07
assign (resid 114 and name HB1) (resid 114 and name HB2) 2.313 0.669 0.669 weight 1.000 ! spec=HCH, no=4309, id=7171, vol=8.360000e+07
assign (resid 114 and name HB2) (resid 114 and name HG1) 2.773 0.961 0.961 weight 1.000 ! spec=HCH, no=4312, id=7173, vol=2.820000e+07
assign (resid 114 and name HB1) (resid 114 and name HG1) 2.588 0.837 0.837 weight 1.000 ! spec=HCH, no=4313, id=7174, vol=4.270000e+07
assign (resid 114 and name HB2) (resid 137 and name HA) 3.352 1.405 1.405 weight 1.000 ! spec=HCH, no=4314, id=7175, vol=9.040000e+06
assign (resid 114 and name HB1) (resid 138 and name HN) 3.415 1.458 1.458 weight 1.000 ! spec=HCH, no=4318, id=7179, vol=8.090000e+06
assign (resid 114 and name HD2) (resid 114 and name HB2) 3.296 1.358 1.358 weight 1.000 ! spec=HCH, no=4322, id=7183, vol=1.000000e+07
assign (resid 114 and name HD1) (resid 112 and name HD1) 3.308 1.368 1.368 weight 1.000 ! spec=HCH, no=4325, id=7186, vol=9.790000e+06
    or (resid 114 and name HD1) (resid 112 and name HD2)
assign (resid 114 and name HD1) (resid 114 and name HB2) 3.322 1.379 1.379 weight 1.000 ! spec=HCH, no=4327, id=7188, vol=9.540000e+06
assign (resid 114 and name HD2) (resid 112 and name HE1) 2.919 1.065 1.065 weight 1.000 ! spec=HCH, no=4328, id=7189, vol=2.070000e+07
assign (resid 114 and name HD1) (resid 112 and name HE1) 2.927 1.071 1.071 weight 1.000 ! spec=HCH, no=4329, id=7190, vol=2.040000e+07
assign (resid 114 and name HD2) (resid 114 and name HA) 3.110 1.209 1.209 weight 1.000 ! spec=HCH, no=4332, id=7193, vol=1.420000e+07
assign (resid 114 and name HD1) (resid 114 and name HA) 3.066 1.175 1.175 weight 1.000 ! spec=HCH, no=4333, id=7194, vol=1.540000e+07
assign (resid 114 and name HD2) (resid 114 and name HE1) 2.692 0.906 0.906 weight 1.000 ! spec=HCH, no=4334, id=7195, vol=3.370000e+07
assign (resid 114 and name HD1) (resid 114 and name HE1) 2.628 0.864 0.864 weight 1.000 ! spec=HCH, no=4335, id=7196, vol=3.890000e+07
assign (resid 72 and name HD21) (resid 114 and name HE2) 3.327 1.383 1.383 weight 1.000 ! spec=HCH, no=4336, id=7197, vol=9.460000e+06
assign (resid 72 and name HD22) (resid 114 and name HE2) 3.374 1.423 1.423 weight 1.000 ! spec=HCH, no=4339, id=7200, vol=8.690000e+06
assign (resid 114 and name HE1) (resid 114 and name HG1) 2.620 0.858 0.858 weight 1.000 ! spec=HCH, no=4341, id=7202, vol=3.970000e+07
assign (resid 114 and name HE2) (resid 114 and name HA) 3.652 1.667 1.667 weight 1.000 ! spec=HCH, no=4343, id=7204, vol=5.410000e+06
assign (resid 114 and name HE2) (resid 114 and name HB2) 3.310 1.370 1.370 weight 1.000 ! spec=HCH, no=4344, id=7205, vol=9.740000e+06
assign (resid 114 and name HB2) (resid 114 and name HE1) 3.425 1.466 1.466 weight 1.000 ! spec=HCH, no=4345, id=7206, vol=7.950000e+06
assign (resid 114 and name HE2) (resid 114 and name HB1) 2.822 0.996 0.996 weight 1.000 ! spec=HCH, no=4346, id=7207, vol=2.540000e+07
assign (resid 114 and name HB1) (resid 114 and name HE1) 2.614 0.854 0.854 weight 1.000 ! spec=HCH, no=4347, id=7208, vol=4.020000e+07
assign (resid 114 and name HE2) (resid 114 and name HD2) 2.719 0.924 0.924 weight 1.000 ! spec=HCH, no=4348, id=7209, vol=3.180000e+07
assign (resid 114 and name HD1) (resid 114 and name HE2) 2.806 0.984 0.984 weight 1.000 ! spec=HCH, no=4349, id=7210, vol=2.630000e+07
assign (resid 114 and name HE2) (resid 114 and name HE1) 1.808 0.408 0.408 weight 1.000 ! spec=HCH, no=4351, id=7211, vol=3.680000e+08
assign (resid 114 and name HE2) (resid 136 and name HA2) 3.793 1.799 1.799 weight 1.000 ! spec=HCH, no=4352, id=7212, vol=4.310000e+06
assign (resid 114 and name HE2) (resid 136 and name HA1) 3.605 1.625 1.625 weight 1.000 ! spec=HCH, no=4353, id=7213, vol=5.840000e+06
assign (resid 114 and name HE2) (resid 137 and name HA) 3.133 1.227 1.227 weight 1.000 ! spec=HCH, no=4354, id=7214, vol=1.350000e+07
assign (resid 114 and name HE2) (resid 137 and name HG2) 3.263 1.331 1.331 weight 1.000 ! spec=HCH, no=4355, id=7215, vol=1.060000e+07
assign (resid 114 and name HG2) (resid 114 and name HB2) 2.858 1.021 1.021 weight 1.000 ! spec=HCH, no=4356, id=7216, vol=2.350000e+07
assign (resid 114 and name HG2) (resid 114 and name HB1) 2.566 0.823 0.823 weight 1.000 ! spec=HCH, no=4357, id=7217, vol=4.490000e+07
assign (resid 114 and name HG1) (resid 137 and name HA) 3.448 1.486 1.486 weight 1.000 ! spec=HCH, no=4364, id=7224, vol=7.630000e+06
assign (resid 114 and name HG1) (resid 138 and name HN) 3.882 1.884 1.884 weight 1.000 ! spec=HCH, no=4365, id=7225, vol=3.750000e+06
assign (resid 114 and name HG2) (resid 138 and name HE1) 3.879 1.881 1.881 weight 1.000 ! spec=HCH, no=4366, id=7226, vol=3.760000e+06
assign (resid 114 and name HG1) (resid 138 and name HE1) 3.832 1.835 1.835 weight 1.000 ! spec=HCH, no=4367, id=7227, vol=4.050000e+06
assign (resid 115 and name HA) (resid 115 and name HZ3) 3.371 1.420 1.420 weight 1.000 ! spec=HCH, no=4372, id=7232, vol=8.750000e+06
assign (resid 115 and name HA) (resid 115 and name HB2) 2.813 0.989 0.989 weight 1.000 ! spec=HCH, no=4374, id=7234, vol=2.590000e+07
assign (resid 115 and name HA) (resid 115 and name HB1) 2.682 0.899 0.899 weight 1.000 ! spec=HCH, no=4378, id=7237, vol=3.450000e+07
assign (resid 115 and name HA) (resid 115 and name HE3) 2.648 0.876 0.876 weight 1.000 ! spec=HCH, no=4379, id=7238, vol=3.720000e+07
assign (resid 115 and name HA) (resid 138 and name HB2) 2.754 0.948 0.948 weight 1.000 ! spec=HCH, no=4381, id=7240, vol=2.940000e+07
assign (resid 115 and name HB1) (resid 140 and name HE2) 3.993 1.993 1.993 weight 1.000 ! spec=HCH, no=4387, id=7246, vol=3.160000e+06
assign (resid 115 and name HB1) (resid 115 and name HZ3) 3.452 1.490 1.490 weight 1.000 ! spec=HCH, no=4388, id=7247, vol=7.580000e+06
assign (resid 115 and name HB1) (resid 138 and name HB2) 3.779 1.785 1.785 weight 1.000 ! spec=HCH, no=4389, id=7248, vol=4.400000e+06
assign (resid 115 and name HN) (resid 115 and name HB1) 3.087 1.191 1.191 weight 1.000 ! spec=HCH, no=4393, id=7252, vol=1.480000e+07
assign (resid 115 and name HB1) (resid 115 and name HB2) 2.298 0.660 0.660 weight 1.000 ! spec=HCH, no=4397, id=7255, vol=8.720000e+07
assign (resid 115 and name HE1) (resid 115 and name HB1) 3.947 1.947 1.947 weight 1.000 ! spec=HCH, no=4400, id=7257, vol=3.390000e+06
assign (resid 115 and name HB1) (resid 115 and name HE3) 3.265 1.332 1.332 weight 1.000 ! spec=HCH, no=4401, id=7258, vol=1.060000e+07
assign (resid 116 and name HA) (resid 117 and name HB2) 3.216 1.292 1.292 weight 1.000 ! spec=HCH, no=4407, id=7264, vol=1.160000e+07
    or (resid 116 and name HA) (resid 117 and name HB1)
assign (resid 116 and name HA) (resid 116 and name HG21) 2.482 0.770 0.770 weight 1.000 ! spec=HCH, no=4409, id=7266, vol=5.480000e+07
    or (resid 116 and name HA) (resid 116 and name HG22)
    or (resid 116 and name HA) (resid 116 and name HG23)
assign (resid 116 and name HN) (resid 116 and name HA) 2.600 0.845 0.845 weight 1.000 ! spec=HCH, no=4411, id=7268, vol=4.150000e+07
assign (resid 116 and name HA) (resid 116 and name HB) 2.324 0.675 0.675 weight 1.000 ! spec=HCH, no=4413, id=7269, vol=8.140000e+07
assign (resid 116 and name HA) (resid 137 and name HB1) 3.140 1.232 1.232 weight 1.000 ! spec=HCH, no=4414, id=7270, vol=1.340000e+07
assign (resid 116 and name HA) (resid 137 and name HG2) 3.014 1.135 1.135 weight 1.000 ! spec=HCH, no=4415, id=7271, vol=1.710000e+07
assign (resid 115 and name HA) (resid 116 and name HB) 3.543 1.569 1.569 weight 1.000 ! spec=HCH, no=4422, id=7278, vol=6.480000e+06
assign (resid 117 and name HN) (resid 116 and name HB) 2.783 0.968 0.968 weight 1.000 ! spec=HCH, no=4427, id=7282, vol=2.760000e+07
assign (resid 116 and name HB) (resid 137 and name HB2) 2.790 0.973 0.973 weight 1.000 ! spec=HCH, no=4429, id=7284, vol=2.720000e+07
assign (resid 116 and name HB) (resid 137 and name HB1) 3.075 1.182 1.182 weight 1.000 ! spec=HCH, no=4430, id=7285, vol=1.520000e+07
assign (resid 116 and name HG21) (resid 118 and name HB2) 2.567 0.824 0.824 weight 1.000 ! spec=HCH, no=4439, id=7291, vol=4.480000e+07
    or (resid 116 and name HG22) (resid 118 and name HB2)
    or (resid 116 and name HG23) (resid 118 and name HB2)
assign (resid 115 and name HA) (resid 116 and name HG21) 3.004 1.128 1.128 weight 1.000 ! spec=HCH, no=4441, id=7293, vol=1.740000e+07
    or (resid 115 and name HA) (resid 116 and name HG22)
    or (resid 115 and name HA) (resid 116 and name HG23)
assign (resid 115 and name HB1) (resid 116 and name HG21) 3.422 1.463 1.463 weight 1.000 ! spec=HCH, no=4442, id=7294, vol=7.990000e+06
    or (resid 115 and name HB1) (resid 116 and name HG22)
    or (resid 115 and name HB1) (resid 116 and name HG23)
assign (resid 116 and name HN) (resid 116 and name HG21) 2.386 0.712 0.712 weight 1.000 ! spec=HCH, no=4444, id=7296, vol=6.950000e+07
    or (resid 116 and name HN) (resid 116 and name HG22)
    or (resid 116 and name HN) (resid 116 and name HG23)
assign (resid 116 and name HB) (resid 116 and name HG21) 2.146 0.576 0.576 weight 1.000 ! spec=HCH, no=4445, id=7297, vol=1.310000e+08
    or (resid 116 and name HB) (resid 116 and name HG22)
    or (resid 116 and name HB) (resid 116 and name HG23)
assign (resid 117 and name HN) (resid 116 and name HG21) 2.620 0.858 0.858 weight 1.000 ! spec=HCH, no=4446, id=7298, vol=3.970000e+07
    or (resid 117 and name HN) (resid 116 and name HG22)
    or (resid 117 and name HN) (resid 116 and name HG23)
assign (resid 116 and name HG21) (resid 139 and name HA) 2.608 0.850 0.850 weight 1.000 ! spec=HCH, no=4451, id=7303, vol=4.080000e+07
    or (resid 116 and name HG22) (resid 139 and name HA)
    or (resid 116 and name HG23) (resid 139 and name HA)
assign (resid 117 and name HN) (resid 117 and name HA) 2.397 0.718 0.718 weight 1.000 ! spec=HCH, no=4454, id=7306, vol=6.770000e+07
assign (resid 117 and name HA) (resid 118 and name HN) 2.308 0.666 0.666 weight 1.000 ! spec=HCH, no=4455, id=7307, vol=8.490000e+07
assign (resid 118 and name HA) (resid 118 and name HB2) 2.330 0.679 0.679 weight 1.000 ! spec=HCH, no=4463, id=7314, vol=8.000000e+07
assign (resid 118 and name HA) (resid 118 and name HB1) 2.232 0.623 0.623 weight 1.000 ! spec=HCH, no=4464, id=7315, vol=1.040000e+08
assign (resid 118 and name HB1) (resid 118 and name HG2) 1.915 0.458 0.458 weight 1.000 ! spec=HCH, no=4470, id=7321, vol=2.600000e+08
    or (resid 118 and name HB1) (resid 118 and name HG1)
assign (resid 118 and name HN) (resid 118 and name HB1) 3.047 1.161 1.161 weight 1.000 ! spec=HCH, no=4473, id=7324, vol=1.600000e+07
assign (resid 118 and name HB1) (resid 118 and name HB2) 1.770 0.392 0.392 weight 1.000 ! spec=HCH, no=4476, id=7327, vol=4.170000e+08
assign (resid 118 and name HA) (resid 118 and name HG2) 2.681 0.899 0.899 weight 1.000 ! spec=HCH, no=4485, id=7335, vol=3.450000e+07
assign (resid 118 and name HG2) (resid 118 and name HB2) 2.297 0.659 0.659 weight 1.000 ! spec=HCH, no=4486, id=7336, vol=8.740000e+07
assign (resid 118 and name HB1) (resid 118 and name HG2) 1.916 0.459 0.459 weight 1.000 ! spec=HCH, no=4487, id=7337, vol=2.590000e+08
assign (resid 119 and name HN) (resid 118 and name HG2) 3.224 1.299 1.299 weight 1.000 ! spec=HCH, no=4490, id=7340, vol=1.140000e+07
assign (resid 118 and name HG2) (resid 119 and name HA) 3.119 1.216 1.216 weight 1.000 ! spec=HCH, no=4491, id=7341, vol=1.390000e+07
assign (resid 119 and name HN) (resid 119 and name HA) 2.245 0.630 0.630 weight 1.000 ! spec=HCH, no=4493, id=7343, vol=1.000000e+08
assign (resid 119 and name HB1) (resid 118 and name HB1) 3.259 1.327 1.327 weight 1.000 ! spec=HCH, no=4498, id=7348, vol=1.070000e+07
assign (resid 119 and name HN) (resid 119 and name HB1) 2.463 0.758 0.758 weight 1.000 ! spec=HCH, no=4499, id=7349, vol=5.750000e+07
assign (resid 119 and name HB2) (resid 120 and name HN) 2.428 0.737 0.737 weight 1.000 ! spec=HCH, no=4500, id=7350, vol=6.250000e+07
assign (resid 118 and name HE21) (resid 120 and name HB2) 2.920 1.066 1.066 weight 1.000 ! spec=HCH, no=4509, id=7359, vol=2.070000e+07
assign (resid 121 and name HA) (resid 121 and name HB2) 2.216 0.614 0.614 weight 1.000 ! spec=HCH, no=4510, id=7360, vol=1.080000e+08
    or (resid 121 and name HA) (resid 121 and name HB1)
assign (resid 121 and name HA) (resid 121 and name HB2) 2.315 0.670 0.670 weight 1.000 ! spec=HCH, no=4514, id=7364, vol=8.320000e+07
assign (resid 122 and name HA) (resid 122 and name HB2) 2.433 0.740 0.740 weight 1.000 ! spec=HCH, no=4519, id=7368, vol=6.180000e+07
assign (resid 122 and name HA) (resid 122 and name HB1) 2.403 0.722 0.722 weight 1.000 ! spec=HCH, no=4520, id=7369, vol=6.670000e+07
assign (resid 122 and name HA) (resid 122 and name HG2) 2.586 0.836 0.836 weight 1.000 ! spec=HCH, no=4521, id=7370, vol=4.290000e+07
assign (resid 122 and name HA) (resid 123 and name HA) 3.296 1.358 1.358 weight 1.000 ! spec=HCH, no=4523, id=7372, vol=1.000000e+07
assign (resid 122 and name HN) (resid 122 and name HB1) 2.611 0.852 0.852 weight 1.000 ! spec=HCH, no=4529, id=7378, vol=4.040000e+07
assign (resid 122 and name HB2) (resid 123 and name HA) 3.344 1.398 1.398 weight 1.000 ! spec=HCH, no=4532, id=7381, vol=9.160000e+06
assign (resid 122 and name HG1) (resid 122 and name HN) 3.138 1.231 1.231 weight 1.000 ! spec=HCH, no=4537, id=7386, vol=1.340000e+07
assign (resid 122 and name HG1) (resid 122 and name HA) 2.902 1.053 1.053 weight 1.000 ! spec=HCH, no=4539, id=7388, vol=2.150000e+07
assign (resid 123 and name HA) (resid 123 and name HB2) 2.320 0.673 0.673 weight 1.000 ! spec=HCH, no=4541, id=7390, vol=8.220000e+07
assign (resid 123 and name HN) (resid 123 and name HB2) 2.731 0.933 0.933 weight 1.000 ! spec=HCH, no=4545, id=7394, vol=3.090000e+07
assign (resid 123 and name HB2) (resid 124 and name HA) 3.131 1.226 1.226 weight 1.000 ! spec=HCH, no=4548, id=7396, vol=1.360000e+07
assign (resid 124 and name HA) (resid 123 and name HA) 3.622 1.640 1.640 weight 1.000 ! spec=HCH, no=4553, id=7400, vol=5.680000e+06
assign (resid 124 and name HA) (resid 124 and name HB2) 2.479 0.768 0.768 weight 1.000 ! spec=HCH, no=4556, id=7402, vol=5.530000e+07
assign (resid 124 and name HA) (resid 124 and name HB1) 2.511 0.788 0.788 weight 1.000 ! spec=HCH, no=4557, id=7403, vol=5.120000e+07
assign (resid 124 and name HA) (resid 125 and name HA) 3.375 1.424 1.424 weight 1.000 ! spec=HCH, no=4562, id=7408, vol=8.670000e+06
assign (resid 124 and name HB2) (resid 126 and name HN) 3.676 1.689 1.689 weight 1.000 ! spec=HCH, no=4565, id=7411, vol=5.200000e+06
assign (resid 124 and name HB2) (resid 124 and name HG) 2.525 0.797 0.797 weight 1.000 ! spec=HCH, no=4566, id=7412, vol=4.950000e+07
assign (resid 124 and name HB1) (resid 124 and name HG) 2.444 0.746 0.746 weight 1.000 ! spec=HCH, no=4567, id=7413, vol=6.020000e+07
assign (resid 124 and name HB1) (resid 126 and name HN) 3.646 1.662 1.662 weight 1.000 ! spec=HCH, no=4568, id=7414, vol=5.460000e+06
assign (resid 124 and name HB2) (resid 123 and name HA) 3.719 1.729 1.729 weight 1.000 ! spec=HCH, no=4569, id=7415, vol=4.840000e+06
assign (resid 123 and name HA) (resid 124 and name HB1) 3.594 1.615 1.615 weight 1.000 ! spec=HCH, no=4570, id=7416, vol=5.950000e+06
assign (resid 124 and name HN) (resid 124 and name HB2) 2.854 1.018 1.018 weight 1.000 ! spec=HCH, no=4571, id=7417, vol=2.370000e+07
assign (resid 124 and name HN) (resid 124 and name HB1) 2.809 0.986 0.986 weight 1.000 ! spec=HCH, no=4572, id=7418, vol=2.610000e+07
assign (resid 124 and name HB1) (resid 124 and name HD22) 2.428 0.737 0.737 weight 1.000 ! spec=HCH, no=4576, id=7422, vol=6.260000e+07
    or (resid 124 and name HB1) (resid 124 and name HD21)
    or (resid 124 and name HB1) (resid 124 and name HD23)
assign (resid 124 and name HD12) (resid 120 and name HB2) 2.966 1.100 1.100 weight 1.000 ! spec=HCH, no=4586, id=7432, vol=1.880000e+07
    or (resid 124 and name HD12) (resid 120 and name HB1)
    or (resid 124 and name HD11) (resid 120 and name HB2)
    or (resid 124 and name HD11) (resid 120 and name HB1)
    or (resid 124 and name HD13) (resid 120 and name HB2)
    or (resid 124 and name HD13) (resid 120 and name HB1)
assign (resid 124 and name HD12) (resid 95 and name HD1) 3.667 1.681 1.681 weight 1.000 ! spec=HCH, no=4601, id=7447, vol=5.270000e+06
    or (resid 124 and name HD11) (resid 95 and name HD1)
    or (resid 124 and name HD13) (resid 95 and name HD1)
assign (resid 124 and name HD12) (resid 95 and name HE1) 3.525 1.553 1.553 weight 1.000 ! spec=HCH, no=4602, id=7448, vol=6.680000e+06
    or (resid 124 and name HD11) (resid 95 and name HE1)
    or (resid 124 and name HD13) (resid 95 and name HE1)
assign (resid 124 and name HD12) (resid 102 and name HZ) 2.926 1.070 1.070 weight 1.000 ! spec=HCH, no=4604, id=7450, vol=2.050000e+07
    or (resid 124 and name HD11) (resid 102 and name HZ)
    or (resid 124 and name HD13) (resid 102 and name HZ)
assign (resid 124 and name HD12) (resid 123 and name HA) 2.899 1.050 1.050 weight 1.000 ! spec=HCH, no=4608, id=7454, vol=2.160000e+07
    or (resid 124 and name HD11) (resid 123 and name HA)
    or (resid 124 and name HD13) (resid 123 and name HA)
assign (resid 124 and name HD12) (resid 124 and name HN) 2.825 0.998 0.998 weight 1.000 ! spec=HCH, no=4609, id=7455, vol=2.520000e+07
    or (resid 124 and name HD11) (resid 124 and name HN)
    or (resid 124 and name HD13) (resid 124 and name HN)
assign (resid 124 and name HD12) (resid 124 and name HB1) 2.246 0.630 0.630 weight 1.000 ! spec=HCH, no=4612, id=7458, vol=1.000000e+08
    or (resid 124 and name HD11) (resid 124 and name HB1)
    or (resid 124 and name HD13) (resid 124 and name HB1)
assign (resid 124 and name HD12) (resid 124 and name HG) 2.066 0.533 0.533 weight 1.000 ! spec=HCH, no=4613, id=7459, vol=1.650000e+08
    or (resid 124 and name HD11) (resid 124 and name HG)
    or (resid 124 and name HD13) (resid 124 and name HG)
assign (resid 124 and name HD12) (resid 124 and name HD11) 1.113 0.155 0.155 weight 1.000 ! spec=HCH, no=4614, id=7460, vol=6.730000e+09
    or (resid 124 and name HD12) (resid 124 and name HD13)
    or (resid 124 and name HD12) (resid 124 and name HD11)
    or (resid 124 and name HD11) (resid 124 and name HD13)
    or (resid 124 and name HD12) (resid 124 and name HD13)
    or (resid 124 and name HD11) (resid 124 and name HD13)
assign (resid 124 and name HD22) (resid 141 and name HA1) 3.367 1.417 1.417 weight 1.000 ! spec=HCH, no=4630, id=7475, vol=8.800000e+06
    or (resid 124 and name HD21) (resid 141 and name HA1)
    or (resid 124 and name HD23) (resid 141 and name HA1)
assign (resid 124 and name HD22) (resid 123 and name HA) 2.928 1.071 1.071 weight 1.000 ! spec=HCH, no=4640, id=7484, vol=2.040000e+07
    or (resid 124 and name HD21) (resid 123 and name HA)
    or (resid 124 and name HD23) (resid 123 and name HA)
assign (resid 124 and name HA) (resid 124 and name HD22) 2.849 1.014 1.014 weight 1.000 ! spec=HCH, no=4642, id=7486, vol=2.400000e+07
    or (resid 124 and name HA) (resid 124 and name HD21)
    or (resid 124 and name HA) (resid 124 and name HD23)
assign (resid 124 and name HB2) (resid 124 and name HD22) 2.184 0.596 0.596 weight 1.000 ! spec=HCH, no=4643, id=7487, vol=1.180000e+08
    or (resid 124 and name HB2) (resid 124 and name HD21)
    or (resid 124 and name HB2) (resid 124 and name HD23)
assign (resid 124 and name HD22) (resid 124 and name HG) 2.168 0.587 0.587 weight 1.000 ! spec=HCH, no=4645, id=7489, vol=1.240000e+08
    or (resid 124 and name HD21) (resid 124 and name HG)
    or (resid 124 and name HD23) (resid 124 and name HG)
assign (resid 124 and name HD22) (resid 124 and name HD21) 1.179 0.174 0.174 weight 1.000 ! spec=HCH, no=4646, id=7490, vol=4.780000e+09
    or (resid 124 and name HD22) (resid 124 and name HD23)
    or (resid 124 and name HD22) (resid 124 and name HD21)
    or (resid 124 and name HD21) (resid 124 and name HD23)
    or (resid 124 and name HD22) (resid 124 and name HD23)
    or (resid 124 and name HD21) (resid 124 and name HD23)
assign (resid 124 and name HG) (resid 120 and name HB2) 3.505 1.536 1.536 weight 1.000 ! spec=HCH, no=4651, id=7495, vol=6.920000e+06
    or (resid 124 and name HG) (resid 120 and name HB1)
assign (resid 124 and name HN) (resid 124 and name HG) 2.794 0.976 0.976 weight 1.000 ! spec=HCH, no=4653, id=7497, vol=2.690000e+07
assign (resid 124 and name HA) (resid 124 and name HG) 3.055 1.167 1.167 weight 1.000 ! spec=HCH, no=4654, id=7498, vol=1.580000e+07
assign (resid 125 and name HA) (resid 95 and name HD1) 2.856 1.019 1.019 weight 1.000 ! spec=HCH, no=4658, id=7502, vol=2.360000e+07
    or (resid 125 and name HA) (resid 95 and name HD2)
assign (resid 125 and name HA) (resid 97 and name HG21) 3.191 1.273 1.273 weight 1.000 ! spec=HCH, no=4659, id=7503, vol=1.210000e+07
    or (resid 125 and name HA) (resid 97 and name HG22)
    or (resid 125 and name HA) (resid 97 and name HG23)
assign (resid 125 and name HA) (resid 95 and name HE1) 3.565 1.589 1.589 weight 1.000 ! spec=HCH, no=4661, id=7505, vol=6.240000e+06
    or (resid 125 and name HA) (resid 95 and name HE2)
assign (resid 125 and name HA) (resid 123 and name HB2) 3.763 1.770 1.770 weight 1.000 ! spec=HCH, no=4662, id=7506, vol=4.510000e+06
    or (resid 125 and name HA) (resid 123 and name HB1)
assign (resid 125 and name HN) (resid 125 and name HA) 2.496 0.779 0.779 weight 1.000 ! spec=HCH, no=4665, id=7509, vol=5.300000e+07
assign (resid 125 and name HA) (resid 95 and name HB1) 3.308 1.368 1.368 weight 1.000 ! spec=HCH, no=4672, id=7516, vol=9.790000e+06
assign (resid 125 and name HA) (resid 102 and name HE1) 4.165 2.169 2.169 weight 1.000 ! spec=HCH, no=4673, id=7517, vol=2.460000e+06
assign (resid 125 and name HA) (resid 125 and name HB) 2.398 0.719 0.719 weight 1.000 ! spec=HCH, no=4675, id=7519, vol=6.740000e+07
assign (resid 125 and name HA) (resid 125 and name HG12) 2.264 0.641 0.641 weight 1.000 ! spec=HCH, no=4676, id=7520, vol=9.530000e+07
    or (resid 125 and name HA) (resid 125 and name HG11)
    or (resid 125 and name HA) (resid 125 and name HG13)
assign (resid 125 and name HB) (resid 95 and name HE1) 3.896 1.897 1.897 weight 1.000 ! spec=HCH, no=4687, id=7531, vol=3.670000e+06
    or (resid 125 and name HB) (resid 95 and name HE2)
assign (resid 97 and name HG21) (resid 125 and name HB) 3.356 1.408 1.408 weight 1.000 ! spec=HCH, no=4688, id=7532, vol=8.970000e+06
    or (resid 97 and name HG22) (resid 125 and name HB)
    or (resid 97 and name HG23) (resid 125 and name HB)
assign (resid 125 and name HB) (resid 126 and name HB1) 3.714 1.724 1.724 weight 1.000 ! spec=HCH, no=4696, id=7539, vol=4.890000e+06
assign (resid 125 and name HG12) (resid 97 and name HG21) 2.683 0.900 0.900 weight 1.000 ! spec=HCH, no=4711, id=7553, vol=3.430000e+07
    or (resid 125 and name HG12) (resid 97 and name HG22)
    or (resid 125 and name HG12) (resid 97 and name HG23)
    or (resid 125 and name HG11) (resid 97 and name HG21)
    or (resid 125 and name HG11) (resid 97 and name HG22)
    or (resid 125 and name HG11) (resid 97 and name HG23)
    or (resid 125 and name HG13) (resid 97 and name HG21)
    or (resid 125 and name HG13) (resid 97 and name HG22)
    or (resid 125 and name HG13) (resid 97 and name HG23)
assign (resid 125 and name HB) (resid 125 and name HG12) 2.019 0.509 0.509 weight 1.000 ! spec=HCH, no=4723, id=7565, vol=1.890000e+08
    or (resid 125 and name HB) (resid 125 and name HG11)
    or (resid 125 and name HB) (resid 125 and name HG13)
assign (resid 125 and name HG12) (resid 126 and name HA) 3.154 1.244 1.244 weight 1.000 ! spec=HCH, no=4726, id=7568, vol=1.300000e+07
    or (resid 125 and name HG11) (resid 126 and name HA)
    or (resid 125 and name HG13) (resid 126 and name HA)
assign (resid 127 and name HN) (resid 125 and name HG12) 3.303 1.363 1.363 weight 1.000 ! spec=HCH, no=4729, id=7571, vol=9.880000e+06
    or (resid 127 and name HN) (resid 125 and name HG11)
    or (resid 127 and name HN) (resid 125 and name HG13)
assign (resid 142 and name HD22) (resid 125 and name HG22) 3.180 1.264 1.264 weight 1.000 ! spec=HCH, no=4757, id=7594, vol=1.240000e+07
    or (resid 142 and name HD22) (resid 125 and name HG21)
    or (resid 142 and name HD22) (resid 125 and name HG23)
assign (resid 142 and name HD21) (resid 125 and name HG22) 3.292 1.355 1.355 weight 1.000 ! spec=HCH, no=4765, id=7601, vol=1.010000e+07
    or (resid 142 and name HD21) (resid 125 and name HG21)
    or (resid 142 and name HD21) (resid 125 and name HG23)
assign (resid 125 and name HG22) (resid 123 and name HB2) 2.887 1.042 1.042 weight 1.000 ! spec=HCH, no=4772, id=7607, vol=2.220000e+07
    or (resid 125 and name HG21) (resid 123 and name HB2)
    or (resid 125 and name HG23) (resid 123 and name HB2)
assign (resid 125 and name HN) (resid 125 and name HG22) 2.216 0.614 0.614 weight 1.000 ! spec=HCH, no=4776, id=7611, vol=1.080000e+08
    or (resid 125 and name HN) (resid 125 and name HG21)
    or (resid 125 and name HN) (resid 125 and name HG23)
assign (resid 125 and name HA) (resid 125 and name HG22) 2.193 0.601 0.601 weight 1.000 ! spec=HCH, no=4777, id=7612, vol=1.150000e+08
    or (resid 125 and name HA) (resid 125 and name HG21)
    or (resid 125 and name HA) (resid 125 and name HG23)
assign (resid 125 and name HB) (resid 125 and name HG22) 2.011 0.506 0.506 weight 1.000 ! spec=HCH, no=4778, id=7613, vol=1.940000e+08
    or (resid 125 and name HB) (resid 125 and name HG21)
    or (resid 125 and name HB) (resid 125 and name HG23)
assign (resid 126 and name HN) (resid 126 and name HA) 2.371 0.703 0.703 weight 1.000 ! spec=HCH, no=4784, id=7619, vol=7.220000e+07
assign (resid 126 and name HA) (resid 126 and name HB2) 2.444 0.747 0.747 weight 1.000 ! spec=HCH, no=4786, id=7620, vol=6.020000e+07
assign (resid 126 and name HA) (resid 126 and name HB1) 2.417 0.730 0.730 weight 1.000 ! spec=HCH, no=4787, id=7621, vol=6.430000e+07
assign (resid 127 and name HN) (resid 126 and name HA) 2.468 0.761 0.761 weight 1.000 ! spec=HCH, no=4788, id=7622, vol=5.680000e+07
assign (resid 127 and name HA) (resid 127 and name HG21) 2.431 0.739 0.739 weight 1.000 ! spec=HCH, no=4811, id=7643, vol=6.220000e+07
    or (resid 127 and name HA) (resid 127 and name HG22)
    or (resid 127 and name HA) (resid 127 and name HG23)
assign (resid 128 and name HN) (resid 127 and name HA) 2.217 0.615 0.615 weight 1.000 ! spec=HCH, no=4812, id=7644, vol=1.080000e+08
assign (resid 127 and name HB) (resid 126 and name HN) 3.978 1.978 1.978 weight 1.000 ! spec=HCH, no=4824, id=7656, vol=3.240000e+06
assign (resid 127 and name HA) (resid 127 and name HB) 2.683 0.899 0.899 weight 1.000 ! spec=HCH, no=4826, id=7658, vol=3.440000e+07
assign (resid 128 and name HN) (resid 127 and name HB) 2.925 1.070 1.070 weight 1.000 ! spec=HCH, no=4829, id=7660, vol=2.050000e+07
assign (resid 127 and name HB) (resid 128 and name HA) 3.824 1.828 1.828 weight 1.000 ! spec=HCH, no=4830, id=7661, vol=4.100000e+06
assign (resid 127 and name HG21) (resid 139 and name HA) 3.670 1.684 1.684 weight 1.000 ! spec=HCH, no=4841, id=7671, vol=5.250000e+06
    or (resid 127 and name HG22) (resid 139 and name HA)
    or (resid 127 and name HG23) (resid 139 and name HA)
assign (resid 125 and name HN) (resid 127 and name HG21) 3.464 1.500 1.500 weight 1.000 ! spec=HCH, no=4845, id=7675, vol=7.420000e+06
    or (resid 125 and name HN) (resid 127 and name HG22)
    or (resid 125 and name HN) (resid 127 and name HG23)
assign (resid 127 and name HG21) (resid 125 and name HA) 3.033 1.150 1.150 weight 1.000 ! spec=HCH, no=4850, id=7680, vol=1.650000e+07
    or (resid 127 and name HG22) (resid 125 and name HA)
    or (resid 127 and name HG23) (resid 125 and name HA)
assign (resid 127 and name HB) (resid 127 and name HG21) 2.108 0.555 0.555 weight 1.000 ! spec=HCH, no=4854, id=7684, vol=1.460000e+08
    or (resid 127 and name HB) (resid 127 and name HG22)
    or (resid 127 and name HB) (resid 127 and name HG23)
assign (resid 127 and name HG21) (resid 127 and name HG22) 1.230 0.189 0.189 weight 1.000 ! spec=HCH, no=4855, id=7685, vol=3.700000e+09
    or (resid 127 and name HG21) (resid 127 and name HG23)
    or (resid 127 and name HG21) (resid 127 and name HG22)
    or (resid 127 and name HG22) (resid 127 and name HG23)
    or (resid 127 and name HG21) (resid 127 and name HG23)
    or (resid 127 and name HG22) (resid 127 and name HG23)
assign (resid 128 and name HN) (resid 127 and name HG21) 2.498 0.780 0.780 weight 1.000 ! spec=HCH, no=4856, id=7686, vol=5.270000e+07
    or (resid 128 and name HN) (resid 127 and name HG22)
    or (resid 128 and name HN) (resid 127 and name HG23)
assign (resid 127 and name HG21) (resid 128 and name HA) 3.003 1.127 1.127 weight 1.000 ! spec=HCH, no=4857, id=7687, vol=1.750000e+07
    or (resid 127 and name HG22) (resid 128 and name HA)
    or (resid 127 and name HG23) (resid 128 and name HA)
assign (resid 128 and name HA) (resid 128 and name HB2) 2.453 0.752 0.752 weight 1.000 ! spec=HCH, no=4866, id=7695, vol=5.890000e+07
assign (resid 128 and name HA) (resid 129 and name HA) 3.373 1.422 1.422 weight 1.000 ! spec=HCH, no=4868, id=7697, vol=8.710000e+06
assign (resid 90 and name HD12) (resid 128 and name HB2) 2.890 1.044 1.044 weight 1.000 ! spec=HCH, no=4871, id=7700, vol=2.200000e+07
    or (resid 90 and name HD11) (resid 128 and name HB2)
    or (resid 90 and name HD13) (resid 128 and name HB2)
assign (resid 128 and name HN) (resid 128 and name HB2) 2.746 0.943 0.943 weight 1.000 ! spec=HCH, no=4873, id=7702, vol=2.990000e+07
assign (resid 128 and name HB2) (resid 129 and name HA) 3.690 1.702 1.702 weight 1.000 ! spec=HCH, no=4877, id=7705, vol=5.080000e+06
assign (resid 128 and name HB2) (resid 130 and name HZ) 3.413 1.456 1.456 weight 1.000 ! spec=HCH, no=4879, id=7707, vol=8.110000e+06
assign (resid 128 and name HB2) (resid 130 and name HE1) 3.085 1.189 1.189 weight 1.000 ! spec=HCH, no=4880, id=7708, vol=1.490000e+07
assign (resid 128 and name HB2) (resid 143 and name HA) 2.818 0.993 0.993 weight 1.000 ! spec=HCH, no=4881, id=7709, vol=2.560000e+07
assign (resid 128 and name HB2) (resid 144 and name HN) 3.874 1.876 1.876 weight 1.000 ! spec=HCH, no=4882, id=7710, vol=3.790000e+06
assign (resid 129 and name HA) (resid 130 and name HE1) 3.945 1.945 1.945 weight 1.000 ! spec=HCH, no=4883, id=7711, vol=3.400000e+06
    or (resid 129 and name HA) (resid 130 and name HE2)
assign (resid 129 and name HA) (resid 130 and name HD1) 3.155 1.244 1.244 weight 1.000 ! spec=HCH, no=4884, id=7712, vol=1.300000e+07
    or (resid 129 and name HA) (resid 130 and name HD2)
assign (resid 129 and name HA) (resid 91 and name HD22) 4.041 2.041 2.041 weight 1.000 ! spec=HCH, no=4885, id=7713, vol=2.950000e+06
    or (resid 129 and name HA) (resid 91 and name HD21)
    or (resid 129 and name HA) (resid 91 and name HD23)
assign (resid 129 and name HA) (resid 115 and name HH2) 3.578 1.600 1.600 weight 1.000 ! spec=HCH, no=4886, id=7714, vol=6.120000e+06
assign (resid 129 and name HA) (resid 115 and name HZ3) 3.504 1.535 1.535 weight 1.000 ! spec=HCH, no=4888, id=7716, vol=6.920000e+06
assign (resid 129 and name HA) (resid 139 and name HN) 3.857 1.859 1.859 weight 1.000 ! spec=HCH, no=4892, id=7719, vol=3.900000e+06
assign (resid 129 and name HA) (resid 139 and name HE1) 3.276 1.342 1.342 weight 1.000 ! spec=HCH, no=4893, id=7720, vol=1.040000e+07
assign (resid 129 and name HA) (resid 141 and name HN) 3.191 1.273 1.273 weight 1.000 ! spec=HCH, no=4898, id=7725, vol=1.210000e+07
assign (resid 129 and name HB2) (resid 102 and name HB1) 3.859 1.861 1.861 weight 1.000 ! spec=HCH, no=4905, id=7730, vol=3.880000e+06
    or (resid 129 and name HB1) (resid 102 and name HB1)
    or (resid 129 and name HB3) (resid 102 and name HB1)
assign (resid 129 and name HB2) (resid 102 and name HD1) 3.077 1.183 1.183 weight 1.000 ! spec=HCH, no=4908, id=7733, vol=1.510000e+07
    or (resid 129 and name HB2) (resid 102 and name HD2)
    or (resid 129 and name HB1) (resid 102 and name HD1)
    or (resid 129 and name HB1) (resid 102 and name HD2)
    or (resid 129 and name HB3) (resid 102 and name HD1)
    or (resid 129 and name HB3) (resid 102 and name HD2)
assign (resid 129 and name HB2) (resid 90 and name HA) 3.593 1.613 1.613 weight 1.000 ! spec=HCH, no=4910, id=7735, vol=5.960000e+06
    or (resid 129 and name HB1) (resid 90 and name HA)
    or (resid 129 and name HB3) (resid 90 and name HA)
assign (resid 129 and name HB2) (resid 91 and name HN) 3.156 1.245 1.245 weight 1.000 ! spec=HCH, no=4911, id=7736, vol=1.300000e+07
    or (resid 129 and name HB1) (resid 91 and name HN)
    or (resid 129 and name HB3) (resid 91 and name HN)
assign (resid 129 and name HB2) (resid 91 and name HA) 3.523 1.551 1.551 weight 1.000 ! spec=HCH, no=4912, id=7737, vol=6.710000e+06
    or (resid 129 and name HB1) (resid 91 and name HA)
    or (resid 129 and name HB3) (resid 91 and name HA)
assign (resid 129 and name HB2) (resid 91 and name HB1) 2.415 0.729 0.729 weight 1.000 ! spec=HCH, no=4913, id=7738, vol=6.470000e+07
    or (resid 129 and name HB1) (resid 91 and name HB1)
    or (resid 129 and name HB3) (resid 91 and name HB1)
assign (resid 129 and name HB2) (resid 91 and name HD12) 3.168 1.254 1.254 weight 1.000 ! spec=HCH, no=4914, id=7739, vol=1.270000e+07
    or (resid 129 and name HB2) (resid 91 and name HD11)
    or (resid 129 and name HB2) (resid 91 and name HD13)
    or (resid 129 and name HB1) (resid 91 and name HD12)
    or (resid 129 and name HB1) (resid 91 and name HD11)
    or (resid 129 and name HB1) (resid 91 and name HD13)
    or (resid 129 and name HB3) (resid 91 and name HD12)
    or (resid 129 and name HB3) (resid 91 and name HD11)
    or (resid 129 and name HB3) (resid 91 and name HD13)
assign (resid 129 and name HB2) (resid 91 and name HD22) 2.340 0.685 0.685 weight 1.000 ! spec=HCH, no=4915, id=7740, vol=7.810000e+07
    or (resid 129 and name HB2) (resid 91 and name HD21)
    or (resid 129 and name HB2) (resid 91 and name HD23)
    or (resid 129 and name HB1) (resid 91 and name HD22)
    or (resid 129 and name HB1) (resid 91 and name HD21)
    or (resid 129 and name HB1) (resid 91 and name HD23)
    or (resid 129 and name HB3) (resid 91 and name HD22)
    or (resid 129 and name HB3) (resid 91 and name HD21)
    or (resid 129 and name HB3) (resid 91 and name HD23)
assign (resid 129 and name HB2) (resid 93 and name HN) 3.409 1.453 1.453 weight 1.000 ! spec=HCH, no=4916, id=7741, vol=8.170000e+06
    or (resid 129 and name HB1) (resid 93 and name HN)
    or (resid 129 and name HB3) (resid 93 and name HN)
assign (resid 129 and name HB2) (resid 93 and name HG2) 2.533 0.802 0.802 weight 1.000 ! spec=HCH, no=4917, id=7742, vol=4.860000e+07
    or (resid 129 and name HB1) (resid 93 and name HG2)
    or (resid 129 and name HB3) (resid 93 and name HG2)
assign (resid 129 and name HB2) (resid 104 and name HH2) 3.784 1.790 1.790 weight 1.000 ! spec=HCH, no=4918, id=7743, vol=4.370000e+06
    or (resid 129 and name HB1) (resid 104 and name HH2)
    or (resid 129 and name HB3) (resid 104 and name HH2)
assign (resid 128 and name HA) (resid 129 and name HB2) 3.040 1.155 1.155 weight 1.000 ! spec=HCH, no=4923, id=7748, vol=1.620000e+07
    or (resid 128 and name HA) (resid 129 and name HB1)
    or (resid 128 and name HA) (resid 129 and name HB3)
assign (resid 128 and name HB2) (resid 129 and name HB2) 3.054 1.166 1.166 weight 1.000 ! spec=HCH, no=4924, id=7749, vol=1.580000e+07
    or (resid 128 and name HB2) (resid 129 and name HB1)
    or (resid 128 and name HB2) (resid 129 and name HB3)
assign (resid 129 and name HN) (resid 129 and name HB2) 2.505 0.784 0.784 weight 1.000 ! spec=HCH, no=4925, id=7750, vol=5.190000e+07
    or (resid 129 and name HN) (resid 129 and name HB1)
    or (resid 129 and name HN) (resid 129 and name HB3)
assign (resid 129 and name HA) (resid 129 and name HB2) 2.205 0.608 0.608 weight 1.000 ! spec=HCH, no=4926, id=7751, vol=1.120000e+08
    or (resid 129 and name HA) (resid 129 and name HB1)
    or (resid 129 and name HA) (resid 129 and name HB3)
assign (resid 129 and name HB2) (resid 129 and name HB1) 1.382 0.239 0.239 weight 1.000 ! spec=HCH, no=4927, id=7752, vol=1.840000e+09
    or (resid 129 and name HB2) (resid 129 and name HB3)
    or (resid 129 and name HB2) (resid 129 and name HB1)
    or (resid 129 and name HB1) (resid 129 and name HB3)
    or (resid 129 and name HB2) (resid 129 and name HB3)
    or (resid 129 and name HB1) (resid 129 and name HB3)
assign (resid 130 and name HN) (resid 129 and name HB2) 2.504 0.784 0.784 weight 1.000 ! spec=HCH, no=4928, id=7753, vol=5.210000e+07
    or (resid 130 and name HN) (resid 129 and name HB1)
    or (resid 130 and name HN) (resid 129 and name HB3)
assign (resid 129 and name HB2) (resid 130 and name HA) 2.962 1.096 1.096 weight 1.000 ! spec=HCH, no=4929, id=7754, vol=1.900000e+07
    or (resid 129 and name HB1) (resid 130 and name HA)
    or (resid 129 and name HB3) (resid 130 and name HA)
assign (resid 129 and name HB2) (resid 130 and name HD1) 3.250 1.321 1.321 weight 1.000 ! spec=HCH, no=4931, id=7756, vol=1.090000e+07
    or (resid 129 and name HB1) (resid 130 and name HD1)
    or (resid 129 and name HB3) (resid 130 and name HD1)
assign (resid 129 and name HB2) (resid 138 and name HA) 3.693 1.705 1.705 weight 1.000 ! spec=HCH, no=4932, id=7757, vol=5.050000e+06
    or (resid 129 and name HB1) (resid 138 and name HA)
    or (resid 129 and name HB3) (resid 138 and name HA)
assign (resid 129 and name HB2) (resid 138 and name HB1) 3.171 1.257 1.257 weight 1.000 ! spec=HCH, no=4934, id=7759, vol=1.260000e+07
    or (resid 129 and name HB1) (resid 138 and name HB1)
    or (resid 129 and name HB3) (resid 138 and name HB1)
assign (resid 129 and name HB2) (resid 139 and name HN) 3.571 1.594 1.594 weight 1.000 ! spec=HCH, no=4935, id=7760, vol=6.180000e+06
    or (resid 129 and name HB1) (resid 139 and name HN)
    or (resid 129 and name HB3) (resid 139 and name HN)
assign (resid 90 and name HD12) (resid 130 and name HA) 3.666 1.680 1.680 weight 1.000 ! spec=HCH, no=4938, id=7763, vol=5.280000e+06
    or (resid 90 and name HD11) (resid 130 and name HA)
    or (resid 90 and name HD13) (resid 130 and name HA)
assign (resid 130 and name HA) (resid 130 and name HD1) 3.370 1.419 1.419 weight 1.000 ! spec=HCH, no=4939, id=7764, vol=8.760000e+06
    or (resid 130 and name HA) (resid 130 and name HD2)
assign (resid 130 and name HA) (resid 131 and name HB1) 3.202 1.282 1.282 weight 1.000 ! spec=HCH, no=4940, id=7765, vol=1.190000e+07
assign (resid 130 and name HA) (resid 91 and name HB2) 3.162 1.250 1.250 weight 1.000 ! spec=HCH, no=4941, id=7766, vol=1.280000e+07
assign (resid 88 and name HB2) (resid 130 and name HA) 3.583 1.605 1.605 weight 1.000 ! spec=HCH, no=4942, id=7767, vol=6.060000e+06
assign (resid 130 and name HA) (resid 91 and name HD22) 3.340 1.394 1.394 weight 1.000 ! spec=HCH, no=4946, id=7771, vol=9.240000e+06
    or (resid 130 and name HA) (resid 91 and name HD21)
    or (resid 130 and name HA) (resid 91 and name HD23)
assign (resid 130 and name HA) (resid 130 and name HB2) 2.652 0.879 0.879 weight 1.000 ! spec=HCH, no=4947, id=7772, vol=3.680000e+07
assign (resid 130 and name HN) (resid 130 and name HB2) 2.683 0.900 0.900 weight 1.000 ! spec=HCH, no=4950, id=7775, vol=3.440000e+07
assign (resid 130 and name HB2) (resid 130 and name HD1) 2.709 0.918 0.918 weight 1.000 ! spec=HCH, no=4952, id=7777, vol=3.240000e+07
assign (resid 91 and name HD22) (resid 131 and name HB1) 3.514 1.543 1.543 weight 1.000 ! spec=HCH, no=4959, id=7784, vol=6.810000e+06
    or (resid 91 and name HD21) (resid 131 and name HB1)
    or (resid 91 and name HD23) (resid 131 and name HB1)
assign (resid 131 and name HB2) (resid 130 and name HA) 3.808 1.813 1.813 weight 1.000 ! spec=HCH, no=4960, id=7785, vol=4.200000e+06
assign (resid 131 and name HB2) (resid 131 and name HA) 3.076 1.182 1.182 weight 1.000 ! spec=HCH, no=4964, id=7789, vol=1.520000e+07
assign (resid 131 and name HB1) (resid 131 and name HA) 3.162 1.250 1.250 weight 1.000 ! spec=HCH, no=4965, id=7790, vol=1.280000e+07
assign (resid 131 and name HB1) (resid 131 and name HB2) 2.449 0.750 0.750 weight 1.000 ! spec=HCH, no=4966, id=7791, vol=5.940000e+07
assign (resid 131 and name HB1) (resid 138 and name HE1) 3.940 1.940 1.940 weight 1.000 ! spec=HCH, no=4972, id=7797, vol=3.430000e+06
assign (resid 72 and name HD22) (resid 131 and name HD12) 2.575 0.829 0.829 weight 1.000 ! spec=HCH, no=4986, id=7810, vol=4.400000e+07
    or (resid 72 and name HD22) (resid 131 and name HD11)
    or (resid 72 and name HD22) (resid 131 and name HD13)
assign (resid 76 and name HN) (resid 131 and name HD12) 3.353 1.405 1.405 weight 1.000 ! spec=HCH, no=4997, id=7819, vol=9.030000e+06
    or (resid 76 and name HN) (resid 131 and name HD11)
    or (resid 76 and name HN) (resid 131 and name HD13)
assign (resid 72 and name HB2) (resid 131 and name HD12) 3.567 1.591 1.591 weight 1.000 ! spec=HCH, no=4998, id=7820, vol=6.220000e+06
    or (resid 72 and name HB2) (resid 131 and name HD11)
    or (resid 72 and name HB2) (resid 131 and name HD13)
assign (resid 131 and name HD12) (resid 72 and name HB1) 3.784 1.790 1.790 weight 1.000 ! spec=HCH, no=4999, id=7821, vol=4.370000e+06
    or (resid 131 and name HD11) (resid 72 and name HB1)
    or (resid 131 and name HD13) (resid 72 and name HB1)
assign (resid 131 and name HD12) (resid 89 and name HN) 3.639 1.655 1.655 weight 1.000 ! spec=HCH, no=5001, id=7823, vol=5.530000e+06
    or (resid 131 and name HD11) (resid 89 and name HN)
    or (resid 131 and name HD13) (resid 89 and name HN)
assign (resid 131 and name HD12) (resid 91 and name HD12) 2.653 0.880 0.880 weight 1.000 ! spec=HCH, no=5002, id=7824, vol=3.680000e+07
    or (resid 131 and name HD12) (resid 91 and name HD11)
    or (resid 131 and name HD12) (resid 91 and name HD13)
    or (resid 131 and name HD11) (resid 91 and name HD12)
    or (resid 131 and name HD11) (resid 91 and name HD11)
    or (resid 131 and name HD11) (resid 91 and name HD13)
    or (resid 131 and name HD13) (resid 91 and name HD12)
    or (resid 131 and name HD13) (resid 91 and name HD11)
    or (resid 131 and name HD13) (resid 91 and name HD13)
assign (resid 131 and name HD12) (resid 91 and name HD22) 2.908 1.057 1.057 weight 1.000 ! spec=HCH, no=5003, id=7825, vol=2.120000e+07
    or (resid 131 and name HD12) (resid 91 and name HD21)
    or (resid 131 and name HD12) (resid 91 and name HD23)
    or (resid 131 and name HD11) (resid 91 and name HD22)
    or (resid 131 and name HD11) (resid 91 and name HD21)
    or (resid 131 and name HD11) (resid 91 and name HD23)
    or (resid 131 and name HD13) (resid 91 and name HD22)
    or (resid 131 and name HD13) (resid 91 and name HD21)
    or (resid 131 and name HD13) (resid 91 and name HD23)
assign (resid 131 and name HD12) (resid 114 and name HB2) 3.411 1.454 1.454 weight 1.000 ! spec=HCH, no=5004, id=7826, vol=8.140000e+06
    or (resid 131 and name HD11) (resid 114 and name HB2)
    or (resid 131 and name HD13) (resid 114 and name HB2)
assign (resid 131 and name HD12) (resid 131 and name HA) 2.331 0.679 0.679 weight 1.000 ! spec=HCH, no=5006, id=7828, vol=7.990000e+07
    or (resid 131 and name HD11) (resid 131 and name HA)
    or (resid 131 and name HD13) (resid 131 and name HA)
assign (resid 131 and name HB1) (resid 131 and name HD12) 2.555 0.816 0.816 weight 1.000 ! spec=HCH, no=5007, id=7829, vol=4.610000e+07
    or (resid 131 and name HB1) (resid 131 and name HD11)
    or (resid 131 and name HB1) (resid 131 and name HD13)
assign (resid 131 and name HD12) (resid 131 and name HG) 2.124 0.564 0.564 weight 1.000 ! spec=HCH, no=5008, id=7830, vol=1.400000e+08
    or (resid 131 and name HD11) (resid 131 and name HG)
    or (resid 131 and name HD13) (resid 131 and name HG)
assign (resid 131 and name HD12) (resid 131 and name HD11) 1.136 0.161 0.161 weight 1.000 ! spec=HCH, no=5009, id=7831, vol=5.980000e+09
    or (resid 131 and name HD12) (resid 131 and name HD13)
    or (resid 131 and name HD12) (resid 131 and name HD11)
    or (resid 131 and name HD11) (resid 131 and name HD13)
    or (resid 131 and name HD12) (resid 131 and name HD13)
    or (resid 131 and name HD11) (resid 131 and name HD13)
assign (resid 132 and name HN) (resid 131 and name HD12) 2.432 0.739 0.739 weight 1.000 ! spec=HCH, no=5011, id=7833, vol=6.190000e+07
    or (resid 132 and name HN) (resid 131 and name HD11)
    or (resid 132 and name HN) (resid 131 and name HD13)
assign (resid 131 and name HD12) (resid 132 and name HA) 3.610 1.629 1.629 weight 1.000 ! spec=HCH, no=5012, id=7834, vol=5.790000e+06
    or (resid 131 and name HD11) (resid 132 and name HA)
    or (resid 131 and name HD13) (resid 132 and name HA)
assign (resid 131 and name HD12) (resid 132 and name HB2) 3.174 1.259 1.259 weight 1.000 ! spec=HCH, no=5013, id=7835, vol=1.250000e+07
    or (resid 131 and name HD11) (resid 132 and name HB2)
    or (resid 131 and name HD13) (resid 132 and name HB2)
assign (resid 131 and name HD12) (resid 136 and name HA2) 2.443 0.746 0.746 weight 1.000 ! spec=HCH, no=5014, id=7836, vol=6.030000e+07
    or (resid 131 and name HD11) (resid 136 and name HA2)
    or (resid 131 and name HD13) (resid 136 and name HA2)
assign (resid 131 and name HD12) (resid 137 and name HA) 3.104 1.205 1.205 weight 1.000 ! spec=HCH, no=5016, id=7838, vol=1.430000e+07
    or (resid 131 and name HD11) (resid 137 and name HA)
    or (resid 131 and name HD13) (resid 137 and name HA)
assign (resid 131 and name HD12) (resid 138 and name HN) 3.285 1.349 1.349 weight 1.000 ! spec=HCH, no=5017, id=7839, vol=1.020000e+07
    or (resid 131 and name HD11) (resid 138 and name HN)
    or (resid 131 and name HD13) (resid 138 and name HN)
assign (resid 131 and name HD12) (resid 138 and name HA) 2.935 1.077 1.077 weight 1.000 ! spec=HCH, no=5018, id=7840, vol=2.010000e+07
    or (resid 131 and name HD11) (resid 138 and name HA)
    or (resid 131 and name HD13) (resid 138 and name HA)
assign (resid 131 and name HD12) (resid 138 and name HD1) 2.186 0.597 0.597 weight 1.000 ! spec=HCH, no=5019, id=7841, vol=1.180000e+08
    or (resid 131 and name HD11) (resid 138 and name HD1)
    or (resid 131 and name HD13) (resid 138 and name HD1)
assign (resid 131 and name HD12) (resid 138 and name HZ2) 3.463 1.499 1.499 weight 1.000 ! spec=HCH, no=5021, id=7843, vol=7.430000e+06
    or (resid 131 and name HD11) (resid 138 and name HZ2)
    or (resid 131 and name HD13) (resid 138 and name HZ2)
assign (resid 131 and name HD22) (resid 73 and name HA) 3.301 1.362 1.362 weight 1.000 ! spec=HCH, no=5024, id=7846, vol=9.900000e+06
    or (resid 131 and name HD21) (resid 73 and name HA)
    or (resid 131 and name HD23) (resid 73 and name HA)
assign (resid 131 and name HB2) (resid 131 and name HD22) 2.290 0.656 0.656 weight 1.000 ! spec=HCH, no=5025, id=7847, vol=8.890000e+07
    or (resid 131 and name HB2) (resid 131 and name HD21)
    or (resid 131 and name HB2) (resid 131 and name HD23)
assign (resid 76 and name HA) (resid 131 and name HD22) 2.995 1.122 1.122 weight 1.000 ! spec=HCH, no=5030, id=7852, vol=1.780000e+07
    or (resid 76 and name HA) (resid 131 and name HD21)
    or (resid 76 and name HA) (resid 131 and name HD23)
assign (resid 131 and name HD22) (resid 132 and name HA) 3.991 1.991 1.991 weight 1.000 ! spec=HCH, no=5035, id=7856, vol=3.170000e+06
    or (resid 131 and name HD21) (resid 132 and name HA)
    or (resid 131 and name HD23) (resid 132 and name HA)
assign (resid 131 and name HD22) (resid 130 and name HA) 3.884 1.886 1.886 weight 1.000 ! spec=HCH, no=5038, id=7859, vol=3.740000e+06
    or (resid 131 and name HD21) (resid 130 and name HA)
    or (resid 131 and name HD23) (resid 130 and name HA)
assign (resid 131 and name HD22) (resid 72 and name HA) 3.174 1.260 1.260 weight 1.000 ! spec=HCH, no=5040, id=7861, vol=1.250000e+07
    or (resid 131 and name HD21) (resid 72 and name HA)
    or (resid 131 and name HD23) (resid 72 and name HA)
assign (resid 131 and name HD22) (resid 72 and name HB2) 3.783 1.789 1.789 weight 1.000 ! spec=HCH, no=5041, id=7862, vol=4.380000e+06
    or (resid 131 and name HD21) (resid 72 and name HB2)
    or (resid 131 and name HD23) (resid 72 and name HB2)
assign (resid 131 and name HD22) (resid 72 and name HB1) 3.990 1.990 1.990 weight 1.000 ! spec=HCH, no=5042, id=7863, vol=3.180000e+06
    or (resid 131 and name HD21) (resid 72 and name HB1)
    or (resid 131 and name HD23) (resid 72 and name HB1)
assign (resid 131 and name HD22) (resid 72 and name HD21) 3.301 1.362 1.362 weight 1.000 ! spec=HCH, no=5043, id=7864, vol=9.920000e+06
    or (resid 131 and name HD21) (resid 72 and name HD21)
    or (resid 131 and name HD23) (resid 72 and name HD21)
assign (resid 131 and name HD22) (resid 72 and name HD22) 3.446 1.484 1.484 weight 1.000 ! spec=HCH, no=5044, id=7865, vol=7.660000e+06
    or (resid 131 and name HD21) (resid 72 and name HD22)
    or (resid 131 and name HD23) (resid 72 and name HD22)
assign (resid 131 and name HD22) (resid 88 and name HA) 3.897 1.899 1.899 weight 1.000 ! spec=HCH, no=5045, id=7866, vol=3.660000e+06
    or (resid 131 and name HD21) (resid 88 and name HA)
    or (resid 131 and name HD23) (resid 88 and name HA)
assign (resid 131 and name HD22) (resid 89 and name HN) 3.464 1.500 1.500 weight 1.000 ! spec=HCH, no=5046, id=7867, vol=7.420000e+06
    or (resid 131 and name HD21) (resid 89 and name HN)
    or (resid 131 and name HD23) (resid 89 and name HN)
assign (resid 131 and name HD22) (resid 91 and name HD12) 2.580 0.832 0.832 weight 1.000 ! spec=HCH, no=5048, id=7869, vol=4.350000e+07
    or (resid 131 and name HD22) (resid 91 and name HD11)
    or (resid 131 and name HD22) (resid 91 and name HD13)
    or (resid 131 and name HD21) (resid 91 and name HD12)
    or (resid 131 and name HD21) (resid 91 and name HD11)
    or (resid 131 and name HD21) (resid 91 and name HD13)
    or (resid 131 and name HD23) (resid 91 and name HD12)
    or (resid 131 and name HD23) (resid 91 and name HD11)
    or (resid 131 and name HD23) (resid 91 and name HD13)
assign (resid 131 and name HD22) (resid 91 and name HD22) 3.264 1.332 1.332 weight 1.000 ! spec=HCH, no=5049, id=7870, vol=1.060000e+07
    or (resid 131 and name HD22) (resid 91 and name HD21)
    or (resid 131 and name HD22) (resid 91 and name HD23)
    or (resid 131 and name HD21) (resid 91 and name HD22)
    or (resid 131 and name HD21) (resid 91 and name HD21)
    or (resid 131 and name HD21) (resid 91 and name HD23)
    or (resid 131 and name HD23) (resid 91 and name HD22)
    or (resid 131 and name HD23) (resid 91 and name HD21)
    or (resid 131 and name HD23) (resid 91 and name HD23)
assign (resid 131 and name HN) (resid 131 and name HD22) 3.035 1.151 1.151 weight 1.000 ! spec=HCH, no=5050, id=7871, vol=1.640000e+07
    or (resid 131 and name HN) (resid 131 and name HD21)
    or (resid 131 and name HN) (resid 131 and name HD23)
assign (resid 131 and name HD22) (resid 131 and name HA) 3.076 1.182 1.182 weight 1.000 ! spec=HCH, no=5051, id=7872, vol=1.510000e+07
    or (resid 131 and name HD21) (resid 131 and name HA)
    or (resid 131 and name HD23) (resid 131 and name HA)
assign (resid 131 and name HB1) (resid 131 and name HD22) 2.359 0.696 0.696 weight 1.000 ! spec=HCH, no=5052, id=7873, vol=7.430000e+07
    or (resid 131 and name HB1) (resid 131 and name HD21)
    or (resid 131 and name HB1) (resid 131 and name HD23)
assign (resid 131 and name HD22) (resid 131 and name HG) 2.189 0.599 0.599 weight 1.000 ! spec=HCH, no=5053, id=7874, vol=1.170000e+08
    or (resid 131 and name HD21) (resid 131 and name HG)
    or (resid 131 and name HD23) (resid 131 and name HG)
assign (resid 131 and name HD12) (resid 131 and name HD22) 1.891 0.447 0.447 weight 1.000 ! spec=HCH, no=5054, id=7875, vol=2.800000e+08
    or (resid 131 and name HD12) (resid 131 and name HD21)
    or (resid 131 and name HD12) (resid 131 and name HD23)
    or (resid 131 and name HD11) (resid 131 and name HD22)
    or (resid 131 and name HD11) (resid 131 and name HD21)
    or (resid 131 and name HD11) (resid 131 and name HD23)
    or (resid 131 and name HD13) (resid 131 and name HD22)
    or (resid 131 and name HD13) (resid 131 and name HD21)
    or (resid 131 and name HD13) (resid 131 and name HD23)
assign (resid 131 and name HD22) (resid 131 and name HD21) 1.236 0.191 0.191 weight 1.000 ! spec=HCH, no=5055, id=7876, vol=3.590000e+09
    or (resid 131 and name HD22) (resid 131 and name HD23)
    or (resid 131 and name HD22) (resid 131 and name HD21)
    or (resid 131 and name HD21) (resid 131 and name HD23)
    or (resid 131 and name HD22) (resid 131 and name HD23)
    or (resid 131 and name HD21) (resid 131 and name HD23)
assign (resid 136 and name HN) (resid 131 and name HD22) 3.698 1.710 1.710 weight 1.000 ! spec=HCH, no=5058, id=7879, vol=5.010000e+06
    or (resid 136 and name HN) (resid 131 and name HD21)
    or (resid 136 and name HN) (resid 131 and name HD23)
assign (resid 131 and name HD22) (resid 136 and name HA2) 2.823 0.996 0.996 weight 1.000 ! spec=HCH, no=5059, id=7880, vol=2.530000e+07
    or (resid 131 and name HD21) (resid 136 and name HA2)
    or (resid 131 and name HD23) (resid 136 and name HA2)
assign (resid 131 and name HD22) (resid 138 and name HA) 3.874 1.876 1.876 weight 1.000 ! spec=HCH, no=5060, id=7881, vol=3.800000e+06
    or (resid 131 and name HD21) (resid 138 and name HA)
    or (resid 131 and name HD23) (resid 138 and name HA)
assign (resid 131 and name HG) (resid 138 and name HE1) 3.932 1.932 1.932 weight 1.000 ! spec=HCH, no=5066, id=7887, vol=3.470000e+06
assign (resid 131 and name HG) (resid 88 and name HA) 3.814 1.819 1.819 weight 1.000 ! spec=HCH, no=5068, id=7889, vol=4.160000e+06
assign (resid 91 and name HD12) (resid 131 and name HG) 3.204 1.283 1.283 weight 1.000 ! spec=HCH, no=5069, id=7890, vol=1.190000e+07
    or (resid 91 and name HD11) (resid 131 and name HG)
    or (resid 91 and name HD13) (resid 131 and name HG)
assign (resid 91 and name HD22) (resid 131 and name HG) 3.836 1.839 1.839 weight 1.000 ! spec=HCH, no=5070, id=7891, vol=4.020000e+06
    or (resid 91 and name HD21) (resid 131 and name HG)
    or (resid 91 and name HD23) (resid 131 and name HG)
assign (resid 131 and name HN) (resid 131 and name HG) 3.392 1.438 1.438 weight 1.000 ! spec=HCH, no=5071, id=7892, vol=8.420000e+06
assign (resid 131 and name HG) (resid 131 and name HA) 3.053 1.165 1.165 weight 1.000 ! spec=HCH, no=5072, id=7893, vol=1.580000e+07
assign (resid 131 and name HG) (resid 136 and name HN) 3.785 1.790 1.790 weight 1.000 ! spec=HCH, no=5075, id=7896, vol=4.360000e+06
assign (resid 131 and name HG) (resid 136 and name HA2) 3.384 1.432 1.432 weight 1.000 ! spec=HCH, no=5076, id=7897, vol=8.540000e+06
assign (resid 88 and name HA) (resid 132 and name HA) 2.870 1.029 1.029 weight 1.000 ! spec=HCH, no=5084, id=7905, vol=2.300000e+07
assign (resid 132 and name HA) (resid 132 and name HB1) 3.081 1.187 1.187 weight 1.000 ! spec=HCH, no=5088, id=7908, vol=1.500000e+07
assign (resid 133 and name HN) (resid 132 and name HA) 2.480 0.769 0.769 weight 1.000 ! spec=HCH, no=5090, id=7910, vol=5.510000e+07
assign (resid 132 and name HA) (resid 133 and name HB) 3.474 1.508 1.508 weight 1.000 ! spec=HCH, no=5092, id=7912, vol=7.300000e+06
assign (resid 134 and name HN) (resid 132 and name HA) 3.667 1.681 1.681 weight 1.000 ! spec=HCH, no=5094, id=7914, vol=5.270000e+06
assign (resid 132 and name HB1) (resid 137 and name HB1) 3.644 1.660 1.660 weight 1.000 ! spec=HCH, no=5098, id=7918, vol=5.480000e+06
assign (resid 132 and name HB2) (resid 88 and name HA) 3.828 1.832 1.832 weight 1.000 ! spec=HCH, no=5100, id=7920, vol=4.070000e+06
assign (resid 132 and name HB2) (resid 132 and name HA) 3.068 1.176 1.176 weight 1.000 ! spec=HCH, no=5103, id=7923, vol=1.540000e+07
assign (resid 132 and name HB1) (resid 132 and name HB2) 2.439 0.744 0.744 weight 1.000 ! spec=HCH, no=5107, id=7926, vol=6.090000e+07
assign (resid 132 and name HB2) (resid 137 and name HB1) 3.340 1.395 1.395 weight 1.000 ! spec=HCH, no=5108, id=7927, vol=9.230000e+06
assign (resid 133 and name HA) (resid 133 and name HG11) 2.746 0.942 0.942 weight 1.000 ! spec=HCH, no=5113, id=7931, vol=2.990000e+07
assign (resid 133 and name HA) (resid 88 and name HA) 4.101 2.102 2.102 weight 1.000 ! spec=HCH, no=5116, id=7934, vol=2.700000e+06
assign (resid 132 and name HA) (resid 133 and name HA) 3.482 1.515 1.515 weight 1.000 ! spec=HCH, no=5117, id=7935, vol=7.200000e+06
assign (resid 133 and name HN) (resid 133 and name HA) 2.756 0.949 0.949 weight 1.000 ! spec=HCH, no=5118, id=7936, vol=2.930000e+07
assign (resid 133 and name HA) (resid 133 and name HB) 2.535 0.804 0.804 weight 1.000 ! spec=HCH, no=5120, id=7937, vol=4.830000e+07
assign (resid 134 and name HN) (resid 133 and name HA) 3.458 1.495 1.495 weight 1.000 ! spec=HCH, no=5121, id=7938, vol=7.500000e+06
assign (resid 133 and name HA) (resid 136 and name HN) 3.273 1.339 1.339 weight 1.000 ! spec=HCH, no=5122, id=7939, vol=1.040000e+07
assign (resid 133 and name HA) (resid 136 and name HA1) 3.929 1.930 1.930 weight 1.000 ! spec=HCH, no=5123, id=7940, vol=3.490000e+06
assign (resid 133 and name HB) (resid 133 and name HD12) 2.577 0.830 0.830 weight 1.000 ! spec=HCH, no=5133, id=7949, vol=4.370000e+07
    or (resid 133 and name HB) (resid 133 and name HD11)
    or (resid 133 and name HB) (resid 133 and name HD13)
assign (resid 134 and name HN) (resid 133 and name HB) 3.207 1.286 1.286 weight 1.000 ! spec=HCH, no=5135, id=7951, vol=1.180000e+07
assign (resid 85 and name HA1) (resid 133 and name HD12) 2.816 0.991 0.991 weight 1.000 ! spec=HCH, no=5136, id=7952, vol=2.570000e+07
    or (resid 85 and name HA1) (resid 133 and name HD11)
    or (resid 85 and name HA1) (resid 133 and name HD13)
assign (resid 133 and name HD12) (resid 80 and name HE2) 2.933 1.075 1.075 weight 1.000 ! spec=HCH, no=5140, id=7956, vol=2.020000e+07
    or (resid 133 and name HD11) (resid 80 and name HE2)
    or (resid 133 and name HD13) (resid 80 and name HE2)
assign (resid 133 and name HD12) (resid 132 and name HA) 3.396 1.442 1.442 weight 1.000 ! spec=HCH, no=5143, id=7959, vol=8.360000e+06
    or (resid 133 and name HD11) (resid 132 and name HA)
    or (resid 133 and name HD13) (resid 132 and name HA)
assign (resid 133 and name HD12) (resid 133 and name HA) 2.420 0.732 0.732 weight 1.000 ! spec=HCH, no=5146, id=7962, vol=6.380000e+07
    or (resid 133 and name HD11) (resid 133 and name HA)
    or (resid 133 and name HD13) (resid 133 and name HA)
assign (resid 133 and name HD12) (resid 133 and name HG11) 2.012 0.506 0.506 weight 1.000 ! spec=HCH, no=5147, id=7963, vol=1.930000e+08
    or (resid 133 and name HD11) (resid 133 and name HG11)
    or (resid 133 and name HD13) (resid 133 and name HG11)
assign (resid 133 and name HG12) (resid 76 and name HA) 3.974 1.974 1.974 weight 1.000 ! spec=HCH, no=5149, id=7965, vol=3.260000e+06
assign (resid 133 and name HG11) (resid 76 and name HA) 3.737 1.746 1.746 weight 1.000 ! spec=HCH, no=5150, id=7966, vol=4.710000e+06
assign (resid 133 and name HG12) (resid 80 and name HN) 3.891 1.892 1.892 weight 1.000 ! spec=HCH, no=5151, id=7967, vol=3.700000e+06
assign (resid 133 and name HG12) (resid 87 and name HA) 3.343 1.397 1.397 weight 1.000 ! spec=HCH, no=5153, id=7969, vol=9.190000e+06
assign (resid 133 and name HG11) (resid 87 and name HA) 3.417 1.459 1.459 weight 1.000 ! spec=HCH, no=5154, id=7970, vol=8.060000e+06
assign (resid 133 and name HG12) (resid 88 and name HA) 3.711 1.722 1.722 weight 1.000 ! spec=HCH, no=5155, id=7971, vol=4.910000e+06
assign (resid 133 and name HG11) (resid 88 and name HA) 3.706 1.717 1.717 weight 1.000 ! spec=HCH, no=5156, id=7972, vol=4.950000e+06
assign (resid 132 and name HA) (resid 133 and name HG12) 3.937 1.937 1.937 weight 1.000 ! spec=HCH, no=5157, id=7973, vol=3.440000e+06
assign (resid 133 and name HG11) (resid 132 and name HA) 3.934 1.934 1.934 weight 1.000 ! spec=HCH, no=5158, id=7974, vol=3.460000e+06
assign (resid 133 and name HG11) (resid 133 and name HN) 2.917 1.063 1.063 weight 1.000 ! spec=HCH, no=5160, id=7976, vol=2.080000e+07
assign (resid 133 and name HG12) (resid 133 and name HA) 3.121 1.217 1.217 weight 1.000 ! spec=HCH, no=5161, id=7977, vol=1.390000e+07
assign (resid 133 and name HB) (resid 133 and name HG12) 2.856 1.019 1.019 weight 1.000 ! spec=HCH, no=5163, id=7979, vol=2.360000e+07
assign (resid 133 and name HB) (resid 133 and name HG11) 2.703 0.913 0.913 weight 1.000 ! spec=HCH, no=5164, id=7980, vol=3.290000e+07
assign (resid 133 and name HG11) (resid 133 and name HG12) 2.093 0.548 0.548 weight 1.000 ! spec=HCH, no=5166, id=7981, vol=1.520000e+08
assign (resid 133 and name HG12) (resid 133 and name HD12) 2.599 0.844 0.844 weight 1.000 ! spec=HCH, no=5169, id=7983, vol=4.160000e+07
    or (resid 133 and name HG12) (resid 133 and name HD11)
    or (resid 133 and name HG12) (resid 133 and name HD13)
assign (resid 133 and name HG12) (resid 133 and name HG22) 2.695 0.908 0.908 weight 1.000 ! spec=HCH, no=5171, id=7985, vol=3.350000e+07
    or (resid 133 and name HG12) (resid 133 and name HG21)
    or (resid 133 and name HG12) (resid 133 and name HG23)
assign (resid 133 and name HG11) (resid 133 and name HG22) 2.677 0.896 0.896 weight 1.000 ! spec=HCH, no=5172, id=7986, vol=3.480000e+07
    or (resid 133 and name HG11) (resid 133 and name HG21)
    or (resid 133 and name HG11) (resid 133 and name HG23)
assign (resid 133 and name HG11) (resid 134 and name HN) 3.615 1.634 1.634 weight 1.000 ! spec=HCH, no=5173, id=7987, vol=5.740000e+06
assign (resid 133 and name HG22) (resid 134 and name HA) 2.744 0.941 0.941 weight 1.000 ! spec=HCH, no=5174, id=7988, vol=3.000000e+07
    or (resid 133 and name HG21) (resid 134 and name HA)
    or (resid 133 and name HG23) (resid 134 and name HA)
assign (resid 133 and name HG22) (resid 88 and name HA) 3.359 1.411 1.411 weight 1.000 ! spec=HCH, no=5178, id=7992, vol=8.920000e+06
    or (resid 133 and name HG21) (resid 88 and name HA)
    or (resid 133 and name HG23) (resid 88 and name HA)
assign (resid 133 and name HG22) (resid 77 and name HA) 3.314 1.373 1.373 weight 1.000 ! spec=HCH, no=5182, id=7995, vol=9.680000e+06
    or (resid 133 and name HG21) (resid 77 and name HA)
    or (resid 133 and name HG23) (resid 77 and name HA)
assign (resid 133 and name HG22) (resid 80 and name HN) 3.129 1.224 1.224 weight 1.000 ! spec=HCH, no=5183, id=7996, vol=1.370000e+07
    or (resid 133 and name HG21) (resid 80 and name HN)
    or (resid 133 and name HG23) (resid 80 and name HN)
assign (resid 133 and name HG22) (resid 80 and name HG2) 2.122 0.563 0.563 weight 1.000 ! spec=HCH, no=5185, id=7998, vol=1.400000e+08
    or (resid 133 and name HG21) (resid 80 and name HG2)
    or (resid 133 and name HG23) (resid 80 and name HG2)
assign (resid 133 and name HG22) (resid 80 and name HD2) 2.363 0.698 0.698 weight 1.000 ! spec=HCH, no=5186, id=7999, vol=7.360000e+07
    or (resid 133 and name HG21) (resid 80 and name HD2)
    or (resid 133 and name HG23) (resid 80 and name HD2)
assign (resid 80 and name HE2) (resid 133 and name HG22) 2.647 0.876 0.876 weight 1.000 ! spec=HCH, no=5187, id=8000, vol=3.730000e+07
    or (resid 80 and name HE2) (resid 133 and name HG21)
    or (resid 80 and name HE2) (resid 133 and name HG23)
assign (resid 133 and name HA) (resid 133 and name HG22) 2.270 0.644 0.644 weight 1.000 ! spec=HCH, no=5191, id=8004, vol=9.380000e+07
    or (resid 133 and name HA) (resid 133 and name HG21)
    or (resid 133 and name HA) (resid 133 and name HG23)
assign (resid 133 and name HB) (resid 133 and name HG22) 2.007 0.503 0.503 weight 1.000 ! spec=HCH, no=5192, id=8005, vol=1.960000e+08
    or (resid 133 and name HB) (resid 133 and name HG21)
    or (resid 133 and name HB) (resid 133 and name HG23)
assign (resid 134 and name HN) (resid 133 and name HG22) 2.780 0.966 0.966 weight 1.000 ! spec=HCH, no=5193, id=8006, vol=2.780000e+07
    or (resid 134 and name HN) (resid 133 and name HG21)
    or (resid 134 and name HN) (resid 133 and name HG23)
assign (resid 134 and name HA) (resid 80 and name HE2) 3.518 1.547 1.547 weight 1.000 ! spec=HCH, no=5196, id=8009, vol=6.770000e+06
    or (resid 134 and name HA) (resid 80 and name HE1)
assign (resid 134 and name HN) (resid 134 and name HA) 2.708 0.917 0.917 weight 1.000 ! spec=HCH, no=5198, id=8011, vol=3.250000e+07
assign (resid 134 and name HA) (resid 76 and name HD22) 3.834 1.838 1.838 weight 1.000 ! spec=HCH, no=5203, id=8016, vol=4.040000e+06
    or (resid 134 and name HA) (resid 76 and name HD21)
    or (resid 134 and name HA) (resid 76 and name HD23)
assign (resid 134 and name HN) (resid 134 and name HB2) 2.435 0.741 0.741 weight 1.000 ! spec=HCH, no=5214, id=8026, vol=6.150000e+07
assign (resid 134 and name HA) (resid 134 and name HB2) 2.287 0.654 0.654 weight 1.000 ! spec=HCH, no=5215, id=8027, vol=8.970000e+07
assign (resid 134 and name HB2) (resid 134 and name HE2) 3.345 1.398 1.398 weight 1.000 ! spec=HCH, no=5217, id=8029, vol=9.160000e+06
assign (resid 134 and name HB2) (resid 135 and name HA) 3.591 1.612 1.612 weight 1.000 ! spec=HCH, no=5219, id=8031, vol=5.980000e+06
assign (resid 134 and name HE2) (resid 134 and name HG1) 2.559 0.819 0.819 weight 1.000 ! spec=HCH, no=5227, id=8037, vol=4.560000e+07
assign (resid 134 and name HE2) (resid 134 and name HG2) 2.397 0.718 0.718 weight 1.000 ! spec=HCH, no=5230, id=8040, vol=6.760000e+07
assign (resid 134 and name HG2) (resid 132 and name HD2) 3.574 1.597 1.597 weight 1.000 ! spec=HCH, no=5234, id=8043, vol=6.150000e+06
assign (resid 134 and name HG1) (resid 132 and name HE1) 3.747 1.755 1.755 weight 1.000 ! spec=HCH, no=5237, id=8046, vol=4.640000e+06
assign (resid 134 and name HG2) (resid 134 and name HN) 3.174 1.259 1.259 weight 1.000 ! spec=HCH, no=5238, id=8047, vol=1.250000e+07
assign (resid 134 and name HG2) (resid 134 and name HA) 2.834 1.004 1.004 weight 1.000 ! spec=HCH, no=5239, id=8048, vol=2.470000e+07
assign (resid 134 and name HG1) (resid 134 and name HA) 2.875 1.033 1.033 weight 1.000 ! spec=HCH, no=5240, id=8049, vol=2.270000e+07
assign (resid 134 and name HB2) (resid 134 and name HG1) 1.985 0.493 0.493 weight 1.000 ! spec=HCH, no=5242, id=8051, vol=2.100000e+08
assign (resid 134 and name HG2) (resid 135 and name HN) 3.755 1.763 1.763 weight 1.000 ! spec=HCH, no=5245, id=8054, vol=4.570000e+06
assign (resid 135 and name HB) (resid 135 and name HN) 3.372 1.421 1.421 weight 1.000 ! spec=HCH, no=5251, id=8059, vol=8.720000e+06
assign (resid 135 and name HA) (resid 135 and name HB) 2.354 0.693 0.693 weight 1.000 ! spec=HCH, no=5252, id=8060, vol=7.530000e+07
assign (resid 135 and name HB) (resid 136 and name HN) 3.582 1.604 1.604 weight 1.000 ! spec=HCH, no=5255, id=8062, vol=6.070000e+06
assign (resid 135 and name HB) (resid 137 and name HN) 3.157 1.246 1.246 weight 1.000 ! spec=HCH, no=5256, id=8063, vol=1.300000e+07
assign (resid 135 and name HB) (resid 137 and name HG1) 2.925 1.070 1.070 weight 1.000 ! spec=HCH, no=5258, id=8065, vol=2.050000e+07
assign (resid 135 and name HG21) (resid 134 and name HN) 3.395 1.441 1.441 weight 1.000 ! spec=HCH, no=5265, id=8072, vol=8.370000e+06
    or (resid 135 and name HG22) (resid 134 and name HN)
    or (resid 135 and name HG23) (resid 134 and name HN)
assign (resid 135 and name HG21) (resid 134 and name HA) 3.274 1.340 1.340 weight 1.000 ! spec=HCH, no=5266, id=8073, vol=1.040000e+07
    or (resid 135 and name HG22) (resid 134 and name HA)
    or (resid 135 and name HG23) (resid 134 and name HA)
assign (resid 135 and name HG21) (resid 134 and name HB2) 2.296 0.659 0.659 weight 1.000 ! spec=HCH, no=5267, id=8074, vol=8.760000e+07
    or (resid 135 and name HG22) (resid 134 and name HB2)
    or (resid 135 and name HG23) (resid 134 and name HB2)
assign (resid 135 and name HG21) (resid 134 and name HE2) 3.543 1.569 1.569 weight 1.000 ! spec=HCH, no=5268, id=8075, vol=6.480000e+06
    or (resid 135 and name HG22) (resid 134 and name HE2)
    or (resid 135 and name HG23) (resid 134 and name HE2)
assign (resid 135 and name HN) (resid 135 and name HG21) 2.540 0.806 0.806 weight 1.000 ! spec=HCH, no=5269, id=8076, vol=4.770000e+07
    or (resid 135 and name HN) (resid 135 and name HG22)
    or (resid 135 and name HN) (resid 135 and name HG23)
assign (resid 135 and name HA) (resid 135 and name HG21) 2.134 0.569 0.569 weight 1.000 ! spec=HCH, no=5270, id=8077, vol=1.360000e+08
    or (resid 135 and name HA) (resid 135 and name HG22)
    or (resid 135 and name HA) (resid 135 and name HG23)
assign (resid 135 and name HB) (resid 135 and name HG21) 2.098 0.550 0.550 weight 1.000 ! spec=HCH, no=5271, id=8078, vol=1.500000e+08
    or (resid 135 and name HB) (resid 135 and name HG22)
    or (resid 135 and name HB) (resid 135 and name HG23)
assign (resid 135 and name HG21) (resid 135 and name HG22) 1.216 0.185 0.185 weight 1.000 ! spec=HCH, no=5272, id=8079, vol=3.960000e+09
    or (resid 135 and name HG21) (resid 135 and name HG23)
    or (resid 135 and name HG21) (resid 135 and name HG22)
    or (resid 135 and name HG22) (resid 135 and name HG23)
    or (resid 135 and name HG21) (resid 135 and name HG23)
    or (resid 135 and name HG22) (resid 135 and name HG23)
assign (resid 136 and name HN) (resid 135 and name HG21) 3.042 1.157 1.157 weight 1.000 ! spec=HCH, no=5273, id=8080, vol=1.620000e+07
    or (resid 136 and name HN) (resid 135 and name HG22)
    or (resid 136 and name HN) (resid 135 and name HG23)
assign (resid 136 and name HA2) (resid 137 and name HG1) 4.048 2.048 2.048 weight 1.000 ! spec=HCH, no=5275, id=8082, vol=2.920000e+06
assign (resid 72 and name HD22) (resid 136 and name HA2) 3.438 1.478 1.478 weight 1.000 ! spec=HCH, no=5279, id=8086, vol=7.760000e+06
assign (resid 136 and name HA1) (resid 132 and name HB2) 3.985 1.985 1.985 weight 1.000 ! spec=HCH, no=5281, id=8088, vol=3.200000e+06
assign (resid 136 and name HA1) (resid 135 and name HA) 3.746 1.754 1.754 weight 1.000 ! spec=HCH, no=5282, id=8089, vol=4.640000e+06
assign (resid 72 and name HD22) (resid 136 and name HA1) 3.352 1.405 1.405 weight 1.000 ! spec=HCH, no=5283, id=8090, vol=9.030000e+06
assign (resid 136 and name HA2) (resid 76 and name HB2) 3.895 1.896 1.896 weight 1.000 ! spec=HCH, no=5284, id=8091, vol=3.670000e+06
assign (resid 136 and name HA1) (resid 76 and name HB2) 3.884 1.886 1.886 weight 1.000 ! spec=HCH, no=5285, id=8092, vol=3.730000e+06
assign (resid 136 and name HA1) (resid 76 and name HB1) 3.971 1.971 1.971 weight 1.000 ! spec=HCH, no=5286, id=8093, vol=3.270000e+06
assign (resid 136 and name HA2) (resid 76 and name HG) 3.773 1.779 1.779 weight 1.000 ! spec=HCH, no=5287, id=8094, vol=4.450000e+06
assign (resid 131 and name HD12) (resid 136 and name HA1) 2.565 0.822 0.822 weight 1.000 ! spec=HCH, no=5289, id=8096, vol=4.510000e+07
    or (resid 131 and name HD11) (resid 136 and name HA1)
    or (resid 131 and name HD13) (resid 136 and name HA1)
assign (resid 136 and name HA1) (resid 131 and name HD22) 3.552 1.577 1.577 weight 1.000 ! spec=HCH, no=5291, id=8098, vol=6.380000e+06
    or (resid 136 and name HA1) (resid 131 and name HD21)
    or (resid 136 and name HA1) (resid 131 and name HD23)
assign (resid 135 and name HN) (resid 136 and name HA1) 3.469 1.504 1.504 weight 1.000 ! spec=HCH, no=5293, id=8100, vol=7.360000e+06
assign (resid 136 and name HA2) (resid 135 and name HA) 3.744 1.753 1.753 weight 1.000 ! spec=HCH, no=5294, id=8101, vol=4.650000e+06
assign (resid 136 and name HA1) (resid 136 and name HA2) 2.249 0.632 0.632 weight 1.000 ! spec=HCH, no=5298, id=8104, vol=9.920000e+07
assign (resid 136 and name HA1) (resid 137 and name HN) 3.437 1.477 1.477 weight 1.000 ! spec=HCH, no=5302, id=8107, vol=7.770000e+06
assign (resid 136 and name HA2) (resid 137 and name HA) 3.844 1.847 1.847 weight 1.000 ! spec=HCH, no=5303, id=8108, vol=3.980000e+06
assign (resid 136 and name HA1) (resid 137 and name HG1) 3.885 1.887 1.887 weight 1.000 ! spec=HCH, no=5304, id=8109, vol=3.730000e+06
assign (resid 114 and name HB1) (resid 137 and name HA) 2.700 0.911 0.911 weight 1.000 ! spec=HCH, no=5305, id=8110, vol=3.310000e+07
assign (resid 138 and name HN) (resid 137 and name HA) 2.291 0.656 0.656 weight 1.000 ! spec=HCH, no=5310, id=8115, vol=8.860000e+07
assign (resid 137 and name HA) (resid 138 and name HA) 3.465 1.501 1.501 weight 1.000 ! spec=HCH, no=5311, id=8116, vol=7.410000e+06
assign (resid 137 and name HB2) (resid 116 and name HG21) 3.050 1.162 1.162 weight 1.000 ! spec=HCH, no=5314, id=8119, vol=1.590000e+07
    or (resid 137 and name HB2) (resid 116 and name HG22)
    or (resid 137 and name HB2) (resid 116 and name HG23)
assign (resid 137 and name HB1) (resid 116 and name HG21) 3.250 1.320 1.320 weight 1.000 ! spec=HCH, no=5320, id=8125, vol=1.090000e+07
    or (resid 137 and name HB1) (resid 116 and name HG22)
    or (resid 137 and name HB1) (resid 116 and name HG23)
assign (resid 136 and name HN) (resid 137 and name HB1) 3.866 1.869 1.869 weight 1.000 ! spec=HCH, no=5323, id=8128, vol=3.840000e+06
assign (resid 137 and name HN) (resid 137 and name HB1) 3.097 1.199 1.199 weight 1.000 ! spec=HCH, no=5325, id=8130, vol=1.450000e+07
assign (resid 137 and name HB2) (resid 137 and name HA) 2.840 1.008 1.008 weight 1.000 ! spec=HCH, no=5326, id=8131, vol=2.440000e+07
assign (resid 137 and name HB1) (resid 137 and name HA) 2.935 1.077 1.077 weight 1.000 ! spec=HCH, no=5327, id=8132, vol=2.010000e+07
assign (resid 138 and name HN) (resid 137 and name HB2) 3.133 1.227 1.227 weight 1.000 ! spec=HCH, no=5328, id=8133, vol=1.360000e+07
assign (resid 116 and name HG21) (resid 137 and name HG2) 3.150 1.240 1.240 weight 1.000 ! spec=HCH, no=5330, id=8135, vol=1.310000e+07
    or (resid 116 and name HG22) (resid 137 and name HG2)
    or (resid 116 and name HG23) (resid 137 and name HG2)
assign (resid 137 and name HG2) (resid 137 and name HA) 2.804 0.983 0.983 weight 1.000 ! spec=HCH, no=5331, id=8136, vol=2.640000e+07
assign (resid 137 and name HG2) (resid 137 and name HN) 3.045 1.159 1.159 weight 1.000 ! spec=HCH, no=5334, id=8139, vol=1.610000e+07
assign (resid 137 and name HG2) (resid 138 and name HN) 3.383 1.431 1.431 weight 1.000 ! spec=HCH, no=5335, id=8140, vol=8.550000e+06
assign (resid 138 and name HA) (resid 139 and name HB2) 3.621 1.639 1.639 weight 1.000 ! spec=HCH, no=5339, id=8144, vol=5.690000e+06
assign (resid 138 and name HA) (resid 114 and name HB2) 4.193 2.198 2.198 weight 1.000 ! spec=HCH, no=5347, id=8152, vol=2.360000e+06
assign (resid 138 and name HA) (resid 115 and name HA) 3.834 1.837 1.837 weight 1.000 ! spec=HCH, no=5348, id=8153, vol=4.040000e+06
assign (resid 138 and name HA) (resid 115 and name HE3) 3.952 1.953 1.953 weight 1.000 ! spec=HCH, no=5349, id=8154, vol=3.360000e+06
assign (resid 130 and name HN) (resid 138 and name HA) 2.986 1.115 1.115 weight 1.000 ! spec=HCH, no=5350, id=8155, vol=1.810000e+07
assign (resid 138 and name HA) (resid 131 and name HA) 2.825 0.998 0.998 weight 1.000 ! spec=HCH, no=5351, id=8156, vol=2.520000e+07
assign (resid 132 and name HN) (resid 138 and name HA) 2.986 1.115 1.115 weight 1.000 ! spec=HCH, no=5352, id=8157, vol=1.810000e+07
assign (resid 138 and name HA) (resid 138 and name HB1) 2.711 0.918 0.918 weight 1.000 ! spec=HCH, no=5356, id=8160, vol=3.230000e+07
assign (resid 138 and name HA) (resid 139 and name HE1) 3.673 1.686 1.686 weight 1.000 ! spec=HCH, no=5360, id=8164, vol=5.230000e+06
assign (resid 138 and name HA) (resid 139 and name HG1) 3.783 1.789 1.789 weight 1.000 ! spec=HCH, no=5361, id=8165, vol=4.380000e+06
assign (resid 138 and name HB2) (resid 138 and name HD1) 3.976 1.977 1.977 weight 1.000 ! spec=HCH, no=5363, id=8167, vol=3.240000e+06
assign (resid 115 and name HA) (resid 138 and name HB1) 3.181 1.265 1.265 weight 1.000 ! spec=HCH, no=5370, id=8174, vol=1.240000e+07
assign (resid 138 and name HB2) (resid 115 and name HE3) 3.406 1.450 1.450 weight 1.000 ! spec=HCH, no=5371, id=8175, vol=8.210000e+06
assign (resid 138 and name HB1) (resid 115 and name HE3) 3.363 1.413 1.413 weight 1.000 ! spec=HCH, no=5372, id=8176, vol=8.870000e+06
assign (resid 138 and name HB2) (resid 115 and name HZ2) 3.758 1.766 1.766 weight 1.000 ! spec=HCH, no=5373, id=8177, vol=4.550000e+06
assign (resid 138 and name HB1) (resid 115 and name HZ2) 3.660 1.674 1.674 weight 1.000 ! spec=HCH, no=5374, id=8178, vol=5.340000e+06
assign (resid 138 and name HB2) (resid 115 and name HZ3) 3.733 1.742 1.742 weight 1.000 ! spec=HCH, no=5375, id=8179, vol=4.740000e+06
assign (resid 138 and name HB1) (resid 115 and name HZ3) 3.652 1.667 1.667 weight 1.000 ! spec=HCH, no=5376, id=8180, vol=5.400000e+06
assign (resid 138 and name HB1) (resid 138 and name HN) 3.294 1.356 1.356 weight 1.000 ! spec=HCH, no=5378, id=8182, vol=1.000000e+07
assign (resid 138 and name HB2) (resid 138 and name HA) 3.220 1.296 1.296 weight 1.000 ! spec=HCH, no=5379, id=8183, vol=1.150000e+07
assign (resid 138 and name HB1) (resid 138 and name HE3) 3.195 1.276 1.276 weight 1.000 ! spec=HCH, no=5383, id=8187, vol=1.210000e+07
assign (resid 139 and name HA) (resid 115 and name HE3) 3.097 1.199 1.199 weight 1.000 ! spec=HCH, no=5388, id=8192, vol=1.450000e+07
assign (resid 139 and name HA) (resid 138 and name HB2) 3.417 1.460 1.460 weight 1.000 ! spec=HCH, no=5389, id=8193, vol=8.060000e+06
assign (resid 139 and name HA) (resid 139 and name HB2) 2.561 0.820 0.820 weight 1.000 ! spec=HCH, no=5391, id=8195, vol=4.550000e+07
assign (resid 139 and name HA) (resid 139 and name HB1) 2.604 0.847 0.847 weight 1.000 ! spec=HCH, no=5392, id=8196, vol=4.120000e+07
assign (resid 139 and name HA) (resid 139 and name HG1) 2.836 1.005 1.005 weight 1.000 ! spec=HCH, no=5393, id=8197, vol=2.470000e+07
assign (resid 127 and name HG21) (resid 139 and name HB2) 3.778 1.785 1.785 weight 1.000 ! spec=HCH, no=5396, id=8200, vol=4.410000e+06
    or (resid 127 and name HG22) (resid 139 and name HB2)
    or (resid 127 and name HG23) (resid 139 and name HB2)
assign (resid 139 and name HB1) (resid 130 and name HD1) 4.019 2.019 2.019 weight 1.000 ! spec=HCH, no=5399, id=8203, vol=3.040000e+06
    or (resid 139 and name HB1) (resid 130 and name HD2)
assign (resid 139 and name HB2) (resid 118 and name HE22) 3.872 1.874 1.874 weight 1.000 ! spec=HCH, no=5401, id=8205, vol=3.810000e+06
assign (resid 139 and name HB1) (resid 118 and name HE22) 4.011 2.011 2.011 weight 1.000 ! spec=HCH, no=5402, id=8206, vol=3.080000e+06
assign (resid 130 and name HN) (resid 139 and name HB1) 3.723 1.733 1.733 weight 1.000 ! spec=HCH, no=5404, id=8208, vol=4.820000e+06
assign (resid 139 and name HB1) (resid 138 and name HA) 3.839 1.842 1.842 weight 1.000 ! spec=HCH, no=5407, id=8211, vol=4.000000e+06
assign (resid 139 and name HB1) (resid 139 and name HE2) 2.941 1.081 1.081 weight 1.000 ! spec=HCH, no=5414, id=8216, vol=1.980000e+07
assign (resid 139 and name HB2) (resid 139 and name HE1) 3.006 1.130 1.130 weight 1.000 ! spec=HCH, no=5415, id=8217, vol=1.740000e+07
assign (resid 139 and name HB2) (resid 139 and name HG2) 2.719 0.924 0.924 weight 1.000 ! spec=HCH, no=5416, id=8218, vol=3.180000e+07
assign (resid 139 and name HB1) (resid 139 and name HG2) 2.727 0.930 0.930 weight 1.000 ! spec=HCH, no=5417, id=8219, vol=3.120000e+07
assign (resid 139 and name HB2) (resid 139 and name HG1) 2.592 0.840 0.840 weight 1.000 ! spec=HCH, no=5418, id=8220, vol=4.220000e+07
assign (resid 139 and name HB1) (resid 139 and name HG1) 2.608 0.850 0.850 weight 1.000 ! spec=HCH, no=5419, id=8221, vol=4.080000e+07
assign (resid 139 and name HB2) (resid 140 and name HN) 3.041 1.156 1.156 weight 1.000 ! spec=HCH, no=5420, id=8222, vol=1.620000e+07
assign (resid 139 and name HB1) (resid 140 and name HN) 3.034 1.150 1.150 weight 1.000 ! spec=HCH, no=5421, id=8223, vol=1.640000e+07
assign (resid 139 and name HD2) (resid 139 and name HA) 3.801 1.806 1.806 weight 1.000 ! spec=HCH, no=5422, id=8224, vol=4.250000e+06
assign (resid 139 and name HD2) (resid 128 and name HN) 3.862 1.865 1.865 weight 1.000 ! spec=HCH, no=5423, id=8225, vol=3.860000e+06
assign (resid 139 and name HD2) (resid 139 and name HE1) 2.720 0.925 0.925 weight 1.000 ! spec=HCH, no=5426, id=8228, vol=3.170000e+07
assign (resid 139 and name HE1) (resid 139 and name HB1) 3.321 1.378 1.378 weight 1.000 ! spec=HCH, no=5434, id=8236, vol=9.560000e+06
assign (resid 139 and name HE2) (resid 139 and name HG2) 2.801 0.981 0.981 weight 1.000 ! spec=HCH, no=5435, id=8237, vol=2.660000e+07
assign (resid 139 and name HE1) (resid 139 and name HG2) 2.876 1.034 1.034 weight 1.000 ! spec=HCH, no=5436, id=8238, vol=2.270000e+07
assign (resid 130 and name HN) (resid 139 and name HG1) 3.718 1.728 1.728 weight 1.000 ! spec=HCH, no=5443, id=8245, vol=4.860000e+06
assign (resid 139 and name HG1) (resid 132 and name HB1) 4.220 2.226 2.226 weight 1.000 ! spec=HCH, no=5445, id=8247, vol=2.270000e+06
assign (resid 139 and name HG2) (resid 138 and name HA) 3.902 1.903 1.903 weight 1.000 ! spec=HCH, no=5447, id=8249, vol=3.630000e+06
assign (resid 139 and name HG2) (resid 139 and name HA) 3.355 1.407 1.407 weight 1.000 ! spec=HCH, no=5451, id=8253, vol=8.980000e+06
assign (resid 139 and name HE1) (resid 139 and name HG1) 2.889 1.043 1.043 weight 1.000 ! spec=HCH, no=5454, id=8256, vol=2.210000e+07
assign (resid 118 and name HE22) (resid 140 and name HA) 3.563 1.587 1.587 weight 1.000 ! spec=HCH, no=5457, id=8259, vol=6.270000e+06
assign (resid 140 and name HA) (resid 140 and name HG2) 2.802 0.982 0.982 weight 1.000 ! spec=HCH, no=5460, id=8262, vol=2.650000e+07
assign (resid 140 and name HA) (resid 140 and name HB2) 2.796 0.977 0.977 weight 1.000 ! spec=HCH, no=5461, id=8263, vol=2.680000e+07
assign (resid 124 and name HD22) (resid 140 and name HA) 3.673 1.687 1.687 weight 1.000 ! spec=HCH, no=5462, id=8264, vol=5.220000e+06
    or (resid 124 and name HD21) (resid 140 and name HA)
    or (resid 124 and name HD23) (resid 140 and name HA)
assign (resid 140 and name HA) (resid 115 and name HH2) 3.800 1.805 1.805 weight 1.000 ! spec=HCH, no=5463, id=8265, vol=4.260000e+06
assign (resid 140 and name HA) (resid 115 and name HZ2) 3.704 1.715 1.715 weight 1.000 ! spec=HCH, no=5464, id=8266, vol=4.970000e+06
assign (resid 140 and name HA) (resid 129 and name HB2) 2.711 0.919 0.919 weight 1.000 ! spec=HCH, no=5466, id=8268, vol=3.230000e+07
    or (resid 140 and name HA) (resid 129 and name HB1)
    or (resid 140 and name HA) (resid 129 and name HB3)
assign (resid 140 and name HA) (resid 140 and name HB1) 2.685 0.901 0.901 weight 1.000 ! spec=HCH, no=5468, id=8270, vol=3.420000e+07
assign (resid 140 and name HB2) (resid 141 and name HA2) 3.910 1.911 1.911 weight 1.000 ! spec=HCH, no=5471, id=8273, vol=3.590000e+06
assign (resid 140 and name HB2) (resid 124 and name HB2) 2.915 1.062 1.062 weight 1.000 ! spec=HCH, no=5473, id=8275, vol=2.090000e+07
assign (resid 140 and name HB1) (resid 124 and name HB2) 2.841 1.009 1.009 weight 1.000 ! spec=HCH, no=5474, id=8276, vol=2.440000e+07
assign (resid 140 and name HB1) (resid 139 and name HA) 3.944 1.944 1.944 weight 1.000 ! spec=HCH, no=5476, id=8278, vol=3.410000e+06
assign (resid 140 and name HB2) (resid 124 and name HD22) 3.352 1.405 1.405 weight 1.000 ! spec=HCH, no=5480, id=8282, vol=9.040000e+06
    or (resid 140 and name HB2) (resid 124 and name HD21)
    or (resid 140 and name HB2) (resid 124 and name HD23)
assign (resid 140 and name HN) (resid 140 and name HB1) 2.984 1.113 1.113 weight 1.000 ! spec=HCH, no=5484, id=8286, vol=1.820000e+07
assign (resid 141 and name HN) (resid 140 and name HB2) 3.379 1.427 1.427 weight 1.000 ! spec=HCH, no=5487, id=8289, vol=8.620000e+06
assign (resid 139 and name HA) (resid 140 and name HD2) 3.847 1.850 1.850 weight 1.000 ! spec=HCH, no=5489, id=8291, vol=3.960000e+06
assign (resid 118 and name HG2) (resid 140 and name HD2) 3.939 1.940 1.940 weight 1.000 ! spec=HCH, no=5496, id=8298, vol=3.430000e+06
assign (resid 140 and name HD2) (resid 124 and name HD12) 2.910 1.058 1.058 weight 1.000 ! spec=HCH, no=5497, id=8299, vol=2.110000e+07
    or (resid 140 and name HD2) (resid 124 and name HD11)
    or (resid 140 and name HD2) (resid 124 and name HD13)
assign (resid 140 and name HD2) (resid 140 and name HN) 3.063 1.173 1.173 weight 1.000 ! spec=HCH, no=5501, id=8303, vol=1.550000e+07
assign (resid 140 and name HD2) (resid 140 and name HA) 3.198 1.279 1.279 weight 1.000 ! spec=HCH, no=5502, id=8304, vol=1.200000e+07
assign (resid 140 and name HD2) (resid 140 and name HE2) 2.588 0.837 0.837 weight 1.000 ! spec=HCH, no=5503, id=8305, vol=4.270000e+07
assign (resid 140 and name HD2) (resid 140 and name HG2) 2.391 0.714 0.714 weight 1.000 ! spec=HCH, no=5504, id=8306, vol=6.870000e+07
assign (resid 140 and name HE1) (resid 115 and name HE3) 3.886 1.888 1.888 weight 1.000 ! spec=HCH, no=5507, id=8308, vol=3.720000e+06
assign (resid 140 and name HE1) (resid 140 and name HN) 3.855 1.858 1.858 weight 1.000 ! spec=HCH, no=5519, id=8320, vol=3.900000e+06
assign (resid 140 and name HE1) (resid 140 and name HA) 3.979 1.979 1.979 weight 1.000 ! spec=HCH, no=5520, id=8321, vol=3.230000e+06
assign (resid 140 and name HE1) (resid 140 and name HE2) 2.052 0.526 0.526 weight 1.000 ! spec=HCH, no=5523, id=8324, vol=1.720000e+08
assign (resid 140 and name HE2) (resid 140 and name HG2) 2.907 1.056 1.056 weight 1.000 ! spec=HCH, no=5525, id=8325, vol=2.130000e+07
assign (resid 140 and name HE1) (resid 140 and name HG2) 2.974 1.106 1.106 weight 1.000 ! spec=HCH, no=5526, id=8326, vol=1.850000e+07
assign (resid 140 and name HE2) (resid 140 and name HG1) 2.672 0.892 0.892 weight 1.000 ! spec=HCH, no=5527, id=8327, vol=3.530000e+07
assign (resid 140 and name HG2) (resid 102 and name HZ) 3.735 1.744 1.744 weight 1.000 ! spec=HCH, no=5530, id=8330, vol=4.720000e+06
assign (resid 140 and name HG1) (resid 102 and name HZ) 3.793 1.798 1.798 weight 1.000 ! spec=HCH, no=5532, id=8332, vol=4.310000e+06
assign (resid 140 and name HG1) (resid 115 and name HH2) 3.997 1.997 1.997 weight 1.000 ! spec=HCH, no=5535, id=8335, vol=3.150000e+06
assign (resid 140 and name HG2) (resid 115 and name HZ3) 3.424 1.465 1.465 weight 1.000 ! spec=HCH, no=5536, id=8336, vol=7.960000e+06
assign (resid 140 and name HG1) (resid 115 and name HZ3) 3.387 1.434 1.434 weight 1.000 ! spec=HCH, no=5537, id=8337, vol=8.490000e+06
assign (resid 140 and name HG2) (resid 139 and name HA) 3.728 1.737 1.737 weight 1.000 ! spec=HCH, no=5538, id=8338, vol=4.780000e+06
assign (resid 140 and name HG1) (resid 139 and name HA) 3.611 1.630 1.630 weight 1.000 ! spec=HCH, no=5539, id=8339, vol=5.780000e+06
assign (resid 140 and name HG1) (resid 140 and name HA) 3.086 1.191 1.191 weight 1.000 ! spec=HCH, no=5543, id=8343, vol=1.480000e+07
assign (resid 140 and name HG1) (resid 140 and name HG2) 2.295 0.658 0.658 weight 1.000 ! spec=HCH, no=5546, id=8346, vol=8.770000e+07
assign (resid 141 and name HA2) (resid 127 and name HG21) 3.702 1.713 1.713 weight 1.000 ! spec=HCH, no=5547, id=8347, vol=4.980000e+06
    or (resid 141 and name HA2) (resid 127 and name HG22)
    or (resid 141 and name HA2) (resid 127 and name HG23)
assign (resid 141 and name HA2) (resid 140 and name HA) 3.572 1.594 1.594 weight 1.000 ! spec=HCH, no=5554, id=8354, vol=6.180000e+06
assign (resid 141 and name HA1) (resid 141 and name HA2) 2.248 0.631 0.631 weight 1.000 ! spec=HCH, no=5559, id=8358, vol=9.950000e+07
assign (resid 141 and name HA2) (resid 142 and name HA) 3.593 1.614 1.614 weight 1.000 ! spec=HCH, no=5562, id=8361, vol=5.960000e+06
assign (resid 142 and name HA) (resid 142 and name HB2) 2.250 0.633 0.633 weight 1.000 ! spec=HCH, no=5569, id=8367, vol=9.890000e+07
assign (resid 142 and name HD22) (resid 142 and name HB2) 2.781 0.967 0.967 weight 1.000 ! spec=HCH, no=5578, id=8376, vol=2.770000e+07
assign (resid 144 and name HN) (resid 142 and name HB2) 2.842 1.010 1.010 weight 1.000 ! spec=HCH, no=5581, id=8378, vol=2.430000e+07
assign (resid 143 and name HA) (resid 142 and name HD21) 2.904 1.054 1.054 weight 1.000 ! spec=HCH, no=5588, id=8385, vol=2.140000e+07
assign (resid 143 and name HN) (resid 143 and name HA) 2.645 0.875 0.875 weight 1.000 ! spec=HCH, no=5589, id=8386, vol=3.740000e+07
assign (resid 143 and name HA) (resid 143 and name HB2) 2.832 1.003 1.003 weight 1.000 ! spec=HCH, no=5591, id=8387, vol=2.490000e+07
assign (resid 143 and name HA) (resid 143 and name HB1) 2.653 0.880 0.880 weight 1.000 ! spec=HCH, no=5592, id=8388, vol=3.680000e+07
assign (resid 143 and name HB2) (resid 142 and name HA) 3.609 1.628 1.628 weight 1.000 ! spec=HCH, no=5600, id=8396, vol=5.800000e+06
assign (resid 143 and name HB1) (resid 142 and name HA) 3.787 1.793 1.793 weight 1.000 ! spec=HCH, no=5601, id=8397, vol=4.340000e+06
assign (resid 143 and name HB1) (resid 143 and name HB2) 2.162 0.585 0.585 weight 1.000 ! spec=HCH, no=5606, id=8402, vol=1.250000e+08
assign (resid 144 and name HN) (resid 143 and name HB2) 3.244 1.316 1.316 weight 1.000 ! spec=HCH, no=5608, id=8404, vol=1.100000e+07
assign (resid 144 and name HA) (resid 144 and name HB2) 2.455 0.753 0.753 weight 1.000 ! spec=HCH, no=5611, id=8407, vol=5.860000e+07
assign (resid 144 and name HA) (resid 144 and name HB1) 2.346 0.688 0.688 weight 1.000 ! spec=HCH, no=5612, id=8408, vol=7.700000e+07
assign (resid 144 and name HA) (resid 144 and name HG2) 2.448 0.749 0.749 weight 1.000 ! spec=HCH, no=5613, id=8409, vol=5.960000e+07
assign (resid 145 and name HN) (resid 144 and name HA) 2.138 0.571 0.571 weight 1.000 ! spec=HCH, no=5614, id=8410, vol=1.340000e+08
assign (resid 142 and name HB2) (resid 144 and name HB2) 3.747 1.755 1.755 weight 1.000 ! spec=HCH, no=5616, id=8412, vol=4.640000e+06
    or (resid 144 and name HB2) (resid 142 and name HB1)
assign (resid 144 and name HB2) (resid 145 and name HG12) 3.751 1.758 1.758 weight 1.000 ! spec=HCH, no=5617, id=8413, vol=4.610000e+06
    or (resid 144 and name HB2) (resid 145 and name HG11)
    or (resid 144 and name HB2) (resid 145 and name HG13)
assign (resid 144 and name HB1) (resid 142 and name HB2) 3.936 1.937 1.937 weight 1.000 ! spec=HCH, no=5622, id=8417, vol=3.450000e+06
    or (resid 144 and name HB1) (resid 142 and name HB1)
assign (resid 144 and name HB1) (resid 145 and name HG12) 3.616 1.634 1.634 weight 1.000 ! spec=HCH, no=5623, id=8418, vol=5.740000e+06
    or (resid 144 and name HB1) (resid 145 and name HG11)
    or (resid 144 and name HB1) (resid 145 and name HG13)
assign (resid 144 and name HB1) (resid 144 and name HN) 2.683 0.900 0.900 weight 1.000 ! spec=HCH, no=5625, id=8420, vol=3.440000e+07
assign (resid 144 and name HB2) (resid 144 and name HB1) 1.901 0.452 0.452 weight 1.000 ! spec=HCH, no=5628, id=8423, vol=2.720000e+08
assign (resid 144 and name HB2) (resid 144 and name HG2) 2.132 0.568 0.568 weight 1.000 ! spec=HCH, no=5630, id=8424, vol=1.370000e+08
assign (resid 145 and name HN) (resid 144 and name HB1) 3.345 1.398 1.398 weight 1.000 ! spec=HCH, no=5633, id=8427, vol=9.160000e+06
assign (resid 144 and name HG2) (resid 48 and name HA) 3.703 1.714 1.714 weight 1.000 ! spec=HCH, no=5635, id=8429, vol=4.970000e+06
assign (resid 144 and name HG2) (resid 142 and name HA) 3.948 1.948 1.948 weight 1.000 ! spec=HCH, no=5640, id=8434, vol=3.390000e+06
assign (resid 142 and name HD21) (resid 144 and name HG2) 3.763 1.770 1.770 weight 1.000 ! spec=HCH, no=5641, id=8435, vol=4.520000e+06
assign (resid 142 and name HD22) (resid 144 and name HG2) 3.585 1.607 1.607 weight 1.000 ! spec=HCH, no=5642, id=8436, vol=6.040000e+06
assign (resid 142 and name HB2) (resid 144 and name HG2) 2.861 1.023 1.023 weight 1.000 ! spec=HCH, no=5643, id=8437, vol=2.340000e+07
assign (resid 145 and name HA) (resid 145 and name HB) 2.279 0.649 0.649 weight 1.000 ! spec=HCH, no=5655, id=8448, vol=9.160000e+07
assign (resid 145 and name HA) (resid 145 and name HG12) 2.606 0.849 0.849 weight 1.000 ! spec=HCH, no=5656, id=8449, vol=4.090000e+07
    or (resid 145 and name HA) (resid 145 and name HG11)
    or (resid 145 and name HA) (resid 145 and name HG13)
assign (resid 145 and name HA) (resid 146 and name HA) 3.586 1.608 1.608 weight 1.000 ! spec=HCH, no=5659, id=8452, vol=6.030000e+06
assign (resid 145 and name HA) (resid 147 and name HB2) 4.037 2.037 2.037 weight 1.000 ! spec=HCH, no=5661, id=8454, vol=2.960000e+06
assign (resid 145 and name HB) (resid 145 and name HN) 3.048 1.162 1.162 weight 1.000 ! spec=HCH, no=5664, id=8457, vol=1.600000e+07
assign (resid 145 and name HB) (resid 146 and name HN) 3.291 1.354 1.354 weight 1.000 ! spec=HCH, no=5669, id=8461, vol=1.010000e+07
assign (resid 145 and name HG12) (resid 143 and name HA) 2.844 1.011 1.011 weight 1.000 ! spec=HCH, no=5674, id=8466, vol=2.420000e+07
    or (resid 145 and name HG11) (resid 143 and name HA)
    or (resid 145 and name HG13) (resid 143 and name HA)
assign (resid 144 and name HN) (resid 145 and name HG12) 2.850 1.015 1.015 weight 1.000 ! spec=HCH, no=5680, id=8472, vol=2.390000e+07
    or (resid 144 and name HN) (resid 145 and name HG11)
    or (resid 144 and name HN) (resid 145 and name HG13)
assign (resid 145 and name HN) (resid 145 and name HG12) 2.117 0.560 0.560 weight 1.000 ! spec=HCH, no=5681, id=8473, vol=1.420000e+08
    or (resid 145 and name HN) (resid 145 and name HG11)
    or (resid 145 and name HN) (resid 145 and name HG13)
assign (resid 145 and name HB) (resid 145 and name HG12) 2.073 0.537 0.537 weight 1.000 ! spec=HCH, no=5682, id=8474, vol=1.610000e+08
    or (resid 145 and name HB) (resid 145 and name HG11)
    or (resid 145 and name HB) (resid 145 and name HG13)
assign (resid 145 and name HG22) (resid 143 and name HN) 3.765 1.772 1.772 weight 1.000 ! spec=HCH, no=5700, id=8492, vol=4.500000e+06
    or (resid 145 and name HG21) (resid 143 and name HN)
    or (resid 145 and name HG23) (resid 143 and name HN)
assign (resid 145 and name HG22) (resid 143 and name HA) 2.945 1.084 1.084 weight 1.000 ! spec=HCH, no=5701, id=8493, vol=1.960000e+07
    or (resid 145 and name HG21) (resid 143 and name HA)
    or (resid 145 and name HG23) (resid 143 and name HA)
assign (resid 145 and name HG22) (resid 143 and name HB2) 3.217 1.294 1.294 weight 1.000 ! spec=HCH, no=5702, id=8494, vol=1.160000e+07
    or (resid 145 and name HG21) (resid 143 and name HB2)
    or (resid 145 and name HG23) (resid 143 and name HB2)
assign (resid 145 and name HG22) (resid 143 and name HB1) 3.210 1.288 1.288 weight 1.000 ! spec=HCH, no=5703, id=8495, vol=1.170000e+07
    or (resid 145 and name HG21) (resid 143 and name HB1)
    or (resid 145 and name HG23) (resid 143 and name HB1)
assign (resid 144 and name HN) (resid 145 and name HG22) 2.959 1.095 1.095 weight 1.000 ! spec=HCH, no=5704, id=8496, vol=1.910000e+07
    or (resid 144 and name HN) (resid 145 and name HG21)
    or (resid 144 and name HN) (resid 145 and name HG23)
assign (resid 145 and name HN) (resid 145 and name HG22) 2.367 0.701 0.701 weight 1.000 ! spec=HCH, no=5706, id=8498, vol=7.280000e+07
    or (resid 145 and name HN) (resid 145 and name HG21)
    or (resid 145 and name HN) (resid 145 and name HG23)
assign (resid 145 and name HB) (resid 145 and name HG22) 2.030 0.515 0.515 weight 1.000 ! spec=HCH, no=5708, id=8500, vol=1.830000e+08
    or (resid 145 and name HB) (resid 145 and name HG21)
    or (resid 145 and name HB) (resid 145 and name HG23)
assign (resid 145 and name HG12) (resid 145 and name HG22) 1.854 0.430 0.430 weight 1.000 ! spec=HCH, no=5709, id=8501, vol=3.160000e+08
    or (resid 145 and name HG12) (resid 145 and name HG21)
    or (resid 145 and name HG12) (resid 145 and name HG23)
    or (resid 145 and name HG11) (resid 145 and name HG22)
    or (resid 145 and name HG11) (resid 145 and name HG21)
    or (resid 145 and name HG11) (resid 145 and name HG23)
    or (resid 145 and name HG13) (resid 145 and name HG22)
    or (resid 145 and name HG13) (resid 145 and name HG21)
    or (resid 145 and name HG13) (resid 145 and name HG23)
assign (resid 145 and name HG22) (resid 145 and name HG21) 1.158 0.168 0.168 weight 1.000 ! spec=HCH, no=5710, id=8502, vol=5.320000e+09
    or (resid 145 and name HG22) (resid 145 and name HG23)
    or (resid 145 and name HG22) (resid 145 and name HG21)
    or (resid 145 and name HG21) (resid 145 and name HG23)
    or (resid 145 and name HG22) (resid 145 and name HG23)
    or (resid 145 and name HG21) (resid 145 and name HG23)
assign (resid 145 and name HG22) (resid 147 and name HA) 3.070 1.178 1.178 weight 1.000 ! spec=HCH, no=5713, id=8505, vol=1.530000e+07
    or (resid 145 and name HG21) (resid 147 and name HA)
    or (resid 145 and name HG23) (resid 147 and name HA)
assign (resid 146 and name HA) (resid 46 and name HG12) 3.071 1.179 1.179 weight 1.000 ! spec=HCH, no=5715, id=8507, vol=1.530000e+07
    or (resid 146 and name HA) (resid 46 and name HG11)
    or (resid 146 and name HA) (resid 46 and name HG13)
assign (resid 146 and name HA) (resid 46 and name HG22) 2.915 1.062 1.062 weight 1.000 ! spec=HCH, no=5716, id=8508, vol=2.090000e+07
    or (resid 146 and name HA) (resid 46 and name HG21)
    or (resid 146 and name HA) (resid 46 and name HG23)
assign (resid 146 and name HA) (resid 146 and name HB2) 2.241 0.628 0.628 weight 1.000 ! spec=HCH, no=5723, id=8514, vol=1.010000e+08
assign (resid 146 and name HA) (resid 147 and name HN) 2.905 1.055 1.055 weight 1.000 ! spec=HCH, no=5724, id=8515, vol=2.130000e+07
assign (resid 146 and name HB2) (resid 147 and name HN) 3.236 1.309 1.309 weight 1.000 ! spec=HCH, no=5725, id=8516, vol=1.120000e+07
assign (resid 146 and name HB1) (resid 146 and name HA) 2.227 0.620 0.620 weight 1.000 ! spec=HCH, no=5732, id=8523, vol=1.050000e+08
assign (resid 148 and name HN) (resid 147 and name HA) 2.278 0.649 0.649 weight 1.000 ! spec=HCH, no=5740, id=8528, vol=9.180000e+07
assign (resid 147 and name HA) (resid 147 and name HN) 2.796 0.977 0.977 weight 1.000 ! spec=HCH, no=5742, id=8530, vol=2.690000e+07
assign (resid 147 and name HA) (resid 147 and name HB2) 2.262 0.639 0.639 weight 1.000 ! spec=HCH, no=5744, id=8531, vol=9.580000e+07
assign (resid 147 and name HB2) (resid 146 and name HN) 3.631 1.648 1.648 weight 1.000 ! spec=HCH, no=5745, id=8532, vol=5.590000e+06
assign (resid 147 and name HB2) (resid 147 and name HN) 2.551 0.814 0.814 weight 1.000 ! spec=HCH, no=5759, id=8546, vol=4.650000e+07
assign (resid 148 and name HA) (resid 150 and name HN) 3.127 1.222 1.222 weight 1.000 ! spec=HCH, no=5765, id=8552, vol=1.370000e+07
assign (resid 148 and name HA) (resid 148 and name HB) 2.431 0.739 0.739 weight 1.000 ! spec=HCH, no=5766, id=8553, vol=6.210000e+07
assign (resid 148 and name HA) (resid 148 and name HN) 2.781 0.966 0.966 weight 1.000 ! spec=HCH, no=5768, id=8555, vol=2.770000e+07
assign (resid 148 and name HA) (resid 149 and name HB2) 3.179 1.264 1.264 weight 1.000 ! spec=HCH, no=5772, id=8558, vol=1.240000e+07
assign (resid 148 and name HB) (resid 46 and name HG22) 2.833 1.003 1.003 weight 1.000 ! spec=HCH, no=5776, id=8562, vol=2.480000e+07
    or (resid 148 and name HB) (resid 46 and name HG21)
    or (resid 148 and name HB) (resid 46 and name HG23)
assign (resid 148 and name HG12) (resid 55 and name HE22) 3.673 1.686 1.686 weight 1.000 ! spec=HCH, no=5784, id=8569, vol=5.220000e+06
    or (resid 148 and name HG11) (resid 55 and name HE22)
    or (resid 148 and name HG13) (resid 55 and name HE22)
assign (resid 148 and name HB) (resid 148 and name HG12) 2.051 0.526 0.526 weight 1.000 ! spec=HCH, no=5791, id=8574, vol=1.720000e+08
    or (resid 148 and name HB) (resid 148 and name HG11)
    or (resid 148 and name HB) (resid 148 and name HG13)
assign (resid 148 and name HG12) (resid 148 and name HA) 2.332 0.680 0.680 weight 1.000 ! spec=HCH, no=5798, id=8579, vol=7.970000e+07
    or (resid 148 and name HG11) (resid 148 and name HA)
    or (resid 148 and name HG13) (resid 148 and name HA)
assign (resid 149 and name HN) (resid 148 and name HG12) 2.853 1.018 1.018 weight 1.000 ! spec=HCH, no=5799, id=8580, vol=2.380000e+07
    or (resid 149 and name HN) (resid 148 and name HG11)
    or (resid 149 and name HN) (resid 148 and name HG13)
assign (resid 148 and name HG12) (resid 150 and name HN) 2.835 1.004 1.004 weight 1.000 ! spec=HCH, no=5801, id=8582, vol=2.470000e+07
    or (resid 148 and name HG11) (resid 150 and name HN)
    or (resid 148 and name HG13) (resid 150 and name HN)
assign (resid 148 and name HG22) (resid 147 and name HN) 3.106 1.206 1.206 weight 1.000 ! spec=HCH, no=5802, id=8583, vol=1.430000e+07
    or (resid 148 and name HG21) (resid 147 and name HN)
    or (resid 148 and name HG23) (resid 147 and name HN)
assign (resid 148 and name HG22) (resid 148 and name HG21) 1.171 0.171 0.171 weight 1.000 ! spec=HCH, no=5803, id=8584, vol=4.980000e+09
    or (resid 148 and name HG22) (resid 148 and name HG23)
    or (resid 148 and name HG22) (resid 148 and name HG21)
    or (resid 148 and name HG21) (resid 148 and name HG23)
    or (resid 148 and name HG22) (resid 148 and name HG23)
    or (resid 148 and name HG21) (resid 148 and name HG23)
assign (resid 148 and name HB) (resid 148 and name HG22) 1.999 0.500 0.500 weight 1.000 ! spec=HCH, no=5806, id=8587, vol=2.010000e+08
    or (resid 148 and name HB) (resid 148 and name HG21)
    or (resid 148 and name HB) (resid 148 and name HG23)
assign (resid 148 and name HG22) (resid 146 and name HA) 2.917 1.063 1.063 weight 1.000 ! spec=HCH, no=5811, id=8592, vol=2.080000e+07
    or (resid 148 and name HG21) (resid 146 and name HA)
    or (resid 148 and name HG23) (resid 146 and name HA)
assign (resid 148 and name HG22) (resid 147 and name HB2) 3.101 1.202 1.202 weight 1.000 ! spec=HCH, no=5813, id=8594, vol=1.440000e+07
    or (resid 148 and name HG21) (resid 147 and name HB2)
    or (resid 148 and name HG23) (resid 147 and name HB2)
assign (resid 148 and name HG22) (resid 148 and name HN) 2.613 0.853 0.853 weight 1.000 ! spec=HCH, no=5814, id=8595, vol=4.030000e+07
    or (resid 148 and name HG21) (resid 148 and name HN)
    or (resid 148 and name HG23) (resid 148 and name HN)
assign (resid 148 and name HA) (resid 148 and name HG22) 2.169 0.588 0.588 weight 1.000 ! spec=HCH, no=5815, id=8596, vol=1.230000e+08
    or (resid 148 and name HA) (resid 148 and name HG21)
    or (resid 148 and name HA) (resid 148 and name HG23)
assign (resid 149 and name HA) (resid 149 and name HB2) 2.628 0.863 0.863 weight 1.000 ! spec=HCH, no=5818, id=8599, vol=3.900000e+07
assign (resid 149 and name HA) (resid 43 and name HB2) 2.692 0.906 0.906 weight 1.000 ! spec=HCH, no=5821, id=8602, vol=3.370000e+07
    or (resid 149 and name HA) (resid 43 and name HB1)
    or (resid 149 and name HA) (resid 43 and name HB3)
assign (resid 149 and name HA) (resid 149 and name HB1) 2.369 0.701 0.701 weight 1.000 ! spec=HCH, no=5822, id=8603, vol=7.260000e+07
assign (resid 149 and name HA) (resid 44 and name HN) 3.274 1.340 1.340 weight 1.000 ! spec=HCH, no=5826, id=8607, vol=1.040000e+07
assign (resid 149 and name HA) (resid 149 and name HN) 2.674 0.894 0.894 weight 1.000 ! spec=HCH, no=5827, id=8608, vol=3.510000e+07
assign (resid 149 and name HA) (resid 149 and name HG1) 2.619 0.857 0.857 weight 1.000 ! spec=HCH, no=5829, id=8609, vol=3.970000e+07
assign (resid 149 and name HA) (resid 150 and name HA1) 3.325 1.382 1.382 weight 1.000 ! spec=HCH, no=5831, id=8611, vol=9.480000e+06
assign (resid 149 and name HB2) (resid 149 and name HB1) 1.871 0.438 0.438 weight 1.000 ! spec=HCH, no=5833, id=8613, vol=2.990000e+08
assign (resid 42 and name HN) (resid 149 and name HB1) 3.342 1.396 1.396 weight 1.000 ! spec=HCH, no=5838, id=8618, vol=9.200000e+06
assign (resid 149 and name HB1) (resid 43 and name HA) 3.285 1.349 1.349 weight 1.000 ! spec=HCH, no=5841, id=8621, vol=1.020000e+07
assign (resid 149 and name HB1) (resid 43 and name HB2) 3.080 1.186 1.186 weight 1.000 ! spec=HCH, no=5846, id=8626, vol=1.500000e+07
    or (resid 149 and name HB1) (resid 43 and name HB1)
    or (resid 149 and name HB1) (resid 43 and name HB3)
assign (resid 149 and name HG1) (resid 43 and name HA) 2.697 0.909 0.909 weight 1.000 ! spec=HCH, no=5851, id=8631, vol=3.330000e+07
assign (resid 149 and name HG1) (resid 147 and name HA) 3.583 1.605 1.605 weight 1.000 ! spec=HCH, no=5853, id=8633, vol=6.060000e+06
assign (resid 149 and name HG1) (resid 148 and name HN) 3.170 1.256 1.256 weight 1.000 ! spec=HCH, no=5854, id=8634, vol=1.260000e+07
assign (resid 148 and name HG12) (resid 149 and name HG1) 3.561 1.585 1.585 weight 1.000 ! spec=HCH, no=5855, id=8635, vol=6.290000e+06
    or (resid 148 and name HG11) (resid 149 and name HG1)
    or (resid 148 and name HG13) (resid 149 and name HG1)
assign (resid 149 and name HG2) (resid 149 and name HN) 3.096 1.198 1.198 weight 1.000 ! spec=HCH, no=5856, id=8636, vol=1.460000e+07
assign (resid 150 and name HA1) (resid 39 and name HZ) 2.914 1.062 1.062 weight 1.000 ! spec=HCH, no=5861, id=8641, vol=2.090000e+07
assign (resid 151 and name HA) (resid 151 and name HB) 3.046 1.160 1.160 weight 1.000 ! spec=HCH, no=5873, id=8651, vol=1.610000e+07
assign (resid 151 and name HA) (resid 151 and name HG21) 2.490 0.775 0.775 weight 1.000 ! spec=HCH, no=5874, id=8652, vol=5.380000e+07
    or (resid 151 and name HA) (resid 151 and name HG22)
    or (resid 151 and name HA) (resid 151 and name HG23)
assign (resid 152 and name HN) (resid 151 and name HA) 2.316 0.670 0.670 weight 1.000 ! spec=HCH, no=5875, id=8653, vol=8.320000e+07
assign (resid 151 and name HB) (resid 90 and name HB2) 2.826 0.998 0.998 weight 1.000 ! spec=HCH, no=5877, id=8655, vol=2.520000e+07
assign (resid 152 and name HN) (resid 151 and name HB) 3.170 1.256 1.256 weight 1.000 ! spec=HCH, no=5881, id=8659, vol=1.260000e+07
assign (resid 151 and name HB) (resid 90 and name HD22) 3.939 1.939 1.939 weight 1.000 ! spec=HCH, no=5888, id=8666, vol=3.430000e+06
    or (resid 151 and name HB) (resid 90 and name HD21)
    or (resid 151 and name HB) (resid 90 and name HD23)
assign (resid 151 and name HB) (resid 55 and name HB2) 3.725 1.734 1.734 weight 1.000 ! spec=HCH, no=5889, id=8667, vol=4.800000e+06
assign (resid 151 and name HG21) (resid 63 and name HG2) 2.770 0.959 0.959 weight 1.000 ! spec=HCH, no=5895, id=8672, vol=2.840000e+07
    or (resid 151 and name HG22) (resid 63 and name HG2)
    or (resid 151 and name HG23) (resid 63 and name HG2)
assign (resid 151 and name HG21) (resid 40 and name HD12) 3.276 1.342 1.342 weight 1.000 ! spec=HCH, no=5902, id=8679, vol=1.040000e+07
    or (resid 151 and name HG21) (resid 40 and name HD11)
    or (resid 151 and name HG21) (resid 40 and name HD13)
    or (resid 151 and name HG22) (resid 40 and name HD12)
    or (resid 151 and name HG22) (resid 40 and name HD11)
    or (resid 151 and name HG22) (resid 40 and name HD13)
    or (resid 151 and name HG23) (resid 40 and name HD12)
    or (resid 151 and name HG23) (resid 40 and name HD11)
    or (resid 151 and name HG23) (resid 40 and name HD13)
assign (resid 151 and name HG21) (resid 40 and name HD22) 2.575 0.829 0.829 weight 1.000 ! spec=HCH, no=5903, id=8680, vol=4.390000e+07
    or (resid 151 and name HG21) (resid 40 and name HD21)
    or (resid 151 and name HG21) (resid 40 and name HD23)
    or (resid 151 and name HG22) (resid 40 and name HD22)
    or (resid 151 and name HG22) (resid 40 and name HD21)
    or (resid 151 and name HG22) (resid 40 and name HD23)
    or (resid 151 and name HG23) (resid 40 and name HD22)
    or (resid 151 and name HG23) (resid 40 and name HD21)
    or (resid 151 and name HG23) (resid 40 and name HD23)
assign (resid 151 and name HG21) (resid 150 and name HA2) 3.142 1.234 1.234 weight 1.000 ! spec=HCH, no=5906, id=8683, vol=1.330000e+07
    or (resid 151 and name HG22) (resid 150 and name HA2)
    or (resid 151 and name HG23) (resid 150 and name HA2)
assign (resid 151 and name HG21) (resid 151 and name HN) 2.867 1.028 1.028 weight 1.000 ! spec=HCH, no=5907, id=8684, vol=2.310000e+07
    or (resid 151 and name HG22) (resid 151 and name HN)
    or (resid 151 and name HG23) (resid 151 and name HN)
assign (resid 151 and name HB) (resid 151 and name HG21) 2.220 0.616 0.616 weight 1.000 ! spec=HCH, no=5908, id=8685, vol=1.070000e+08
    or (resid 151 and name HB) (resid 151 and name HG22)
    or (resid 151 and name HB) (resid 151 and name HG23)
assign (resid 151 and name HG21) (resid 152 and name HA) 3.357 1.409 1.409 weight 1.000 ! spec=HCH, no=5910, id=8687, vol=8.960000e+06
    or (resid 151 and name HG22) (resid 152 and name HA)
    or (resid 151 and name HG23) (resid 152 and name HA)
assign (resid 151 and name HG21) (resid 153 and name HA) 3.742 1.751 1.751 weight 1.000 ! spec=HCH, no=5911, id=8688, vol=4.670000e+06
    or (resid 151 and name HG22) (resid 153 and name HA)
    or (resid 151 and name HG23) (resid 153 and name HA)
assign (resid 152 and name HA) (resid 152 and name HG) 3.106 1.206 1.206 weight 1.000 ! spec=HCH, no=5916, id=8693, vol=1.430000e+07
assign (resid 151 and name HA) (resid 152 and name HA) 3.423 1.464 1.464 weight 1.000 ! spec=HCH, no=5920, id=8697, vol=7.980000e+06
assign (resid 152 and name HA) (resid 152 and name HB2) 2.821 0.995 0.995 weight 1.000 ! spec=HCH, no=5922, id=8698, vol=2.540000e+07
assign (resid 152 and name HA) (resid 152 and name HB1) 2.992 1.119 1.119 weight 1.000 ! spec=HCH, no=5923, id=8699, vol=1.790000e+07
assign (resid 153 and name HN) (resid 152 and name HA) 2.326 0.676 0.676 weight 1.000 ! spec=HCH, no=5925, id=8701, vol=8.100000e+07
assign (resid 152 and name HA) (resid 153 and name HA) 3.587 1.609 1.609 weight 1.000 ! spec=HCH, no=5926, id=8702, vol=6.020000e+06
assign (resid 152 and name HB2) (resid 64 and name HG22) 2.810 0.987 0.987 weight 1.000 ! spec=HCH, no=5928, id=8704, vol=2.600000e+07
    or (resid 152 and name HB2) (resid 64 and name HG21)
    or (resid 152 and name HB2) (resid 64 and name HG23)
assign (resid 152 and name HB1) (resid 39 and name HD1) 3.787 1.793 1.793 weight 1.000 ! spec=HCH, no=5932, id=8708, vol=4.350000e+06
    or (resid 152 and name HB1) (resid 39 and name HD2)
assign (resid 64 and name HG22) (resid 152 and name HB1) 2.707 0.916 0.916 weight 1.000 ! spec=HCH, no=5933, id=8709, vol=3.260000e+07
    or (resid 64 and name HG21) (resid 152 and name HB1)
    or (resid 64 and name HG23) (resid 152 and name HB1)
assign (resid 152 and name HB1) (resid 151 and name HA) 3.428 1.469 1.469 weight 1.000 ! spec=HCH, no=5936, id=8712, vol=7.900000e+06
assign (resid 152 and name HB1) (resid 64 and name HN) 3.854 1.857 1.857 weight 1.000 ! spec=HCH, no=5937, id=8713, vol=3.910000e+06
assign (resid 152 and name HB2) (resid 89 and name HA) 3.800 1.805 1.805 weight 1.000 ! spec=HCH, no=5941, id=8717, vol=4.260000e+06
assign (resid 152 and name HB1) (resid 152 and name HB2) 2.344 0.687 0.687 weight 1.000 ! spec=HCH, no=5944, id=8720, vol=7.730000e+07
assign (resid 152 and name HB2) (resid 153 and name HA) 4.127 2.129 2.129 weight 1.000 ! spec=HCH, no=5949, id=8724, vol=2.600000e+06
assign (resid 37 and name HB2) (resid 152 and name HD12) 2.873 1.032 1.032 weight 1.000 ! spec=HCH, no=5959, id=8734, vol=2.280000e+07
    or (resid 37 and name HB2) (resid 152 and name HD11)
    or (resid 37 and name HB2) (resid 152 and name HD13)
assign (resid 78 and name HG21) (resid 152 and name HD12) 3.155 1.244 1.244 weight 1.000 ! spec=HCH, no=5960, id=8735, vol=1.300000e+07
    or (resid 78 and name HG21) (resid 152 and name HD11)
    or (resid 78 and name HG21) (resid 152 and name HD13)
    or (resid 78 and name HG22) (resid 152 and name HD12)
    or (resid 78 and name HG22) (resid 152 and name HD11)
    or (resid 78 and name HG22) (resid 152 and name HD13)
    or (resid 78 and name HG23) (resid 152 and name HD12)
    or (resid 78 and name HG23) (resid 152 and name HD11)
    or (resid 78 and name HG23) (resid 152 and name HD13)
assign (resid 37 and name HB1) (resid 152 and name HD12) 3.060 1.171 1.171 weight 1.000 ! spec=HCH, no=5962, id=8737, vol=1.560000e+07
    or (resid 37 and name HB1) (resid 152 and name HD11)
    or (resid 37 and name HB1) (resid 152 and name HD13)
assign (resid 152 and name HD12) (resid 78 and name HN) 3.998 1.998 1.998 weight 1.000 ! spec=HCH, no=5963, id=8738, vol=3.140000e+06
    or (resid 152 and name HD11) (resid 78 and name HN)
    or (resid 152 and name HD13) (resid 78 and name HN)
assign (resid 38 and name HN) (resid 152 and name HD12) 3.049 1.162 1.162 weight 1.000 ! spec=HCH, no=5965, id=8740, vol=1.600000e+07
    or (resid 38 and name HN) (resid 152 and name HD11)
    or (resid 38 and name HN) (resid 152 and name HD13)
assign (resid 152 and name HD12) (resid 154 and name HN) 3.870 1.872 1.872 weight 1.000 ! spec=HCH, no=5969, id=8744, vol=3.820000e+06
    or (resid 152 and name HD11) (resid 154 and name HN)
    or (resid 152 and name HD13) (resid 154 and name HN)
assign (resid 152 and name HD12) (resid 154 and name HA) 3.599 1.619 1.619 weight 1.000 ! spec=HCH, no=5972, id=8747, vol=5.900000e+06
    or (resid 152 and name HD11) (resid 154 and name HA)
    or (resid 152 and name HD13) (resid 154 and name HA)
assign (resid 152 and name HD12) (resid 74 and name HE1) 3.991 1.991 1.991 weight 1.000 ! spec=HCH, no=5973, id=8748, vol=3.170000e+06
    or (resid 152 and name HD11) (resid 74 and name HE1)
    or (resid 152 and name HD13) (resid 74 and name HE1)
assign (resid 152 and name HD12) (resid 38 and name HA) 3.210 1.288 1.288 weight 1.000 ! spec=HCH, no=5976, id=8751, vol=1.170000e+07
    or (resid 152 and name HD11) (resid 38 and name HA)
    or (resid 152 and name HD13) (resid 38 and name HA)
assign (resid 152 and name HD12) (resid 39 and name HD1) 2.596 0.842 0.842 weight 1.000 ! spec=HCH, no=5978, id=8753, vol=4.190000e+07
    or (resid 152 and name HD11) (resid 39 and name HD1)
    or (resid 152 and name HD13) (resid 39 and name HD1)
assign (resid 152 and name HD12) (resid 79 and name HA) 3.615 1.634 1.634 weight 1.000 ! spec=HCH, no=5979, id=8754, vol=5.740000e+06
    or (resid 152 and name HD11) (resid 79 and name HA)
    or (resid 152 and name HD13) (resid 79 and name HA)
assign (resid 152 and name HD12) (resid 83 and name HE1) 4.054 2.054 2.054 weight 1.000 ! spec=HCH, no=5981, id=8756, vol=2.890000e+06
    or (resid 152 and name HD11) (resid 83 and name HE1)
    or (resid 152 and name HD13) (resid 83 and name HE1)
assign (resid 152 and name HA) (resid 152 and name HD12) 2.434 0.741 0.741 weight 1.000 ! spec=HCH, no=5984, id=8759, vol=6.160000e+07
    or (resid 152 and name HA) (resid 152 and name HD11)
    or (resid 152 and name HA) (resid 152 and name HD13)
assign (resid 152 and name HB2) (resid 152 and name HD12) 2.272 0.645 0.645 weight 1.000 ! spec=HCH, no=5985, id=8760, vol=9.320000e+07
    or (resid 152 and name HB2) (resid 152 and name HD11)
    or (resid 152 and name HB2) (resid 152 and name HD13)
assign (resid 152 and name HB1) (resid 152 and name HD12) 2.408 0.725 0.725 weight 1.000 ! spec=HCH, no=5986, id=8761, vol=6.580000e+07
    or (resid 152 and name HB1) (resid 152 and name HD11)
    or (resid 152 and name HB1) (resid 152 and name HD13)
assign (resid 152 and name HD12) (resid 152 and name HG) 2.229 0.621 0.621 weight 1.000 ! spec=HCH, no=5987, id=8762, vol=1.050000e+08
    or (resid 152 and name HD11) (resid 152 and name HG)
    or (resid 152 and name HD13) (resid 152 and name HG)
assign (resid 152 and name HD12) (resid 152 and name HD11) 1.215 0.184 0.184 weight 1.000 ! spec=HCH, no=5988, id=8763, vol=3.990000e+09
    or (resid 152 and name HD12) (resid 152 and name HD13)
    or (resid 152 and name HD12) (resid 152 and name HD11)
    or (resid 152 and name HD11) (resid 152 and name HD13)
    or (resid 152 and name HD12) (resid 152 and name HD13)
    or (resid 152 and name HD11) (resid 152 and name HD13)
assign (resid 152 and name HD12) (resid 153 and name HB2) 3.316 1.375 1.375 weight 1.000 ! spec=HCH, no=5989, id=8764, vol=9.640000e+06
    or (resid 152 and name HD11) (resid 153 and name HB2)
    or (resid 152 and name HD13) (resid 153 and name HB2)
assign (resid 152 and name HD22) (resid 75 and name HB) 3.036 1.152 1.152 weight 1.000 ! spec=HCH, no=5991, id=8766, vol=1.640000e+07
    or (resid 152 and name HD21) (resid 75 and name HB)
    or (resid 152 and name HD23) (resid 75 and name HB)
assign (resid 152 and name HD22) (resid 64 and name HA) 3.542 1.568 1.568 weight 1.000 ! spec=HCH, no=5992, id=8767, vol=6.500000e+06
    or (resid 152 and name HD21) (resid 64 and name HA)
    or (resid 152 and name HD23) (resid 64 and name HA)
assign (resid 152 and name HD22) (resid 152 and name HG) 2.341 0.685 0.685 weight 1.000 ! spec=HCH, no=5994, id=8769, vol=7.800000e+07
    or (resid 152 and name HD21) (resid 152 and name HG)
    or (resid 152 and name HD23) (resid 152 and name HG)
assign (resid 152 and name HD22) (resid 75 and name HN) 3.852 1.855 1.855 weight 1.000 ! spec=HCH, no=6004, id=8779, vol=3.920000e+06
    or (resid 152 and name HD21) (resid 75 and name HN)
    or (resid 152 and name HD23) (resid 75 and name HN)
assign (resid 152 and name HD22) (resid 153 and name HB2) 3.588 1.609 1.609 weight 1.000 ! spec=HCH, no=6010, id=8783, vol=6.010000e+06
    or (resid 152 and name HD21) (resid 153 and name HB2)
    or (resid 152 and name HD23) (resid 153 and name HB2)
assign (resid 78 and name HG21) (resid 152 and name HD22) 3.270 1.336 1.336 weight 1.000 ! spec=HCH, no=6011, id=8784, vol=1.050000e+07
    or (resid 78 and name HG21) (resid 152 and name HD21)
    or (resid 78 and name HG21) (resid 152 and name HD23)
    or (resid 78 and name HG22) (resid 152 and name HD22)
    or (resid 78 and name HG22) (resid 152 and name HD21)
    or (resid 78 and name HG22) (resid 152 and name HD23)
    or (resid 78 and name HG23) (resid 152 and name HD22)
    or (resid 78 and name HG23) (resid 152 and name HD21)
    or (resid 78 and name HG23) (resid 152 and name HD23)
assign (resid 152 and name HD22) (resid 74 and name HE1) 3.647 1.662 1.662 weight 1.000 ! spec=HCH, no=6012, id=8785, vol=5.450000e+06
    or (resid 152 and name HD21) (resid 74 and name HE1)
    or (resid 152 and name HD23) (resid 74 and name HE1)
assign (resid 152 and name HD22) (resid 78 and name HB) 3.401 1.446 1.446 weight 1.000 ! spec=HCH, no=6016, id=8789, vol=8.280000e+06
    or (resid 152 and name HD21) (resid 78 and name HB)
    or (resid 152 and name HD23) (resid 78 and name HB)
assign (resid 152 and name HD22) (resid 79 and name HA) 3.565 1.588 1.588 weight 1.000 ! spec=HCH, no=6017, id=8790, vol=6.250000e+06
    or (resid 152 and name HD21) (resid 79 and name HA)
    or (resid 152 and name HD23) (resid 79 and name HA)
assign (resid 152 and name HD22) (resid 152 and name HA) 2.725 0.928 0.928 weight 1.000 ! spec=HCH, no=6021, id=8794, vol=3.130000e+07
    or (resid 152 and name HD21) (resid 152 and name HA)
    or (resid 152 and name HD23) (resid 152 and name HA)
assign (resid 152 and name HD22) (resid 152 and name HB2) 2.384 0.710 0.710 weight 1.000 ! spec=HCH, no=6022, id=8795, vol=6.990000e+07
    or (resid 152 and name HD21) (resid 152 and name HB2)
    or (resid 152 and name HD23) (resid 152 and name HB2)
assign (resid 152 and name HD22) (resid 152 and name HB1) 2.320 0.673 0.673 weight 1.000 ! spec=HCH, no=6023, id=8796, vol=8.210000e+07
    or (resid 152 and name HD21) (resid 152 and name HB1)
    or (resid 152 and name HD23) (resid 152 and name HB1)
assign (resid 152 and name HD22) (resid 152 and name HD21) 1.259 0.198 0.198 weight 1.000 ! spec=HCH, no=6024, id=8797, vol=3.220000e+09
    or (resid 152 and name HD22) (resid 152 and name HD23)
    or (resid 152 and name HD22) (resid 152 and name HD21)
    or (resid 152 and name HD21) (resid 152 and name HD23)
    or (resid 152 and name HD22) (resid 152 and name HD23)
    or (resid 152 and name HD21) (resid 152 and name HD23)
assign (resid 152 and name HD22) (resid 153 and name HA) 3.742 1.750 1.750 weight 1.000 ! spec=HCH, no=6025, id=8798, vol=4.670000e+06
    or (resid 152 and name HD21) (resid 153 and name HA)
    or (resid 152 and name HD23) (resid 153 and name HA)
assign (resid 152 and name HG) (resid 39 and name HD1) 3.698 1.709 1.709 weight 1.000 ! spec=HCH, no=6026, id=8799, vol=5.020000e+06
    or (resid 152 and name HG) (resid 39 and name HD2)
assign (resid 152 and name HG) (resid 64 and name HG22) 2.768 0.957 0.957 weight 1.000 ! spec=HCH, no=6027, id=8800, vol=2.850000e+07
    or (resid 152 and name HG) (resid 64 and name HG21)
    or (resid 152 and name HG) (resid 64 and name HG23)
assign (resid 152 and name HG) (resid 78 and name HG21) 4.027 2.027 2.027 weight 1.000 ! spec=HCH, no=6031, id=8804, vol=3.010000e+06
    or (resid 152 and name HG) (resid 78 and name HG22)
    or (resid 152 and name HG) (resid 78 and name HG23)
assign (resid 153 and name HN) (resid 152 and name HG) 3.165 1.252 1.252 weight 1.000 ! spec=HCH, no=6032, id=8805, vol=1.280000e+07
assign (resid 152 and name HG) (resid 64 and name HA) 3.876 1.878 1.878 weight 1.000 ! spec=HCH, no=6034, id=8807, vol=3.780000e+06
assign (resid 152 and name HG) (resid 152 and name HB2) 2.385 0.711 0.711 weight 1.000 ! spec=HCH, no=6039, id=8812, vol=6.960000e+07
assign (resid 38 and name HG22) (resid 153 and name HA) 3.592 1.613 1.613 weight 1.000 ! spec=HCH, no=6044, id=8816, vol=5.970000e+06
    or (resid 38 and name HG21) (resid 153 and name HA)
    or (resid 38 and name HG23) (resid 153 and name HA)
assign (resid 152 and name HD12) (resid 153 and name HA) 3.630 1.647 1.647 weight 1.000 ! spec=HCH, no=6045, id=8817, vol=5.600000e+06
    or (resid 152 and name HD11) (resid 153 and name HA)
    or (resid 152 and name HD13) (resid 153 and name HA)
assign (resid 153 and name HA) (resid 153 and name HB2) 2.913 1.061 1.061 weight 1.000 ! spec=HCH, no=6047, id=8819, vol=2.100000e+07
assign (resid 153 and name HA) (resid 40 and name HD22) 4.049 2.049 2.049 weight 1.000 ! spec=HCH, no=6050, id=8822, vol=2.910000e+06
    or (resid 153 and name HA) (resid 40 and name HD21)
    or (resid 153 and name HA) (resid 40 and name HD23)
assign (resid 56 and name HB2) (resid 153 and name HA) 3.514 1.544 1.544 weight 1.000 ! spec=HCH, no=6052, id=8824, vol=6.810000e+06
assign (resid 62 and name HN) (resid 153 and name HA) 3.440 1.479 1.479 weight 1.000 ! spec=HCH, no=6053, id=8825, vol=7.730000e+06
assign (resid 153 and name HA) (resid 64 and name HA) 3.742 1.750 1.750 weight 1.000 ! spec=HCH, no=6055, id=8827, vol=4.670000e+06
assign (resid 153 and name HA) (resid 63 and name HB1) 3.365 1.416 1.416 weight 1.000 ! spec=HCH, no=6058, id=8830, vol=8.830000e+06
assign (resid 153 and name HA) (resid 153 and name HB1) 2.704 0.914 0.914 weight 1.000 ! spec=HCH, no=6061, id=8832, vol=3.280000e+07
assign (resid 153 and name HB1) (resid 59 and name HN) 3.945 1.946 1.946 weight 1.000 ! spec=HCH, no=6066, id=8837, vol=3.400000e+06
assign (resid 153 and name HB1) (resid 29 and name HZ3) 3.892 1.894 1.894 weight 1.000 ! spec=HCH, no=6067, id=8838, vol=3.690000e+06
assign (resid 153 and name HB2) (resid 56 and name HB2) 3.501 1.532 1.532 weight 1.000 ! spec=HCH, no=6071, id=8842, vol=6.970000e+06
assign (resid 153 and name HB1) (resid 56 and name HB2) 3.449 1.487 1.487 weight 1.000 ! spec=HCH, no=6072, id=8843, vol=7.610000e+06
assign (resid 153 and name HB2) (resid 152 and name HA) 3.880 1.882 1.882 weight 1.000 ! spec=HCH, no=6074, id=8845, vol=3.760000e+06
assign (resid 153 and name HB1) (resid 152 and name HD12) 4.131 2.133 2.133 weight 1.000 ! spec=HCH, no=6075, id=8846, vol=2.580000e+06
    or (resid 153 and name HB1) (resid 152 and name HD11)
    or (resid 153 and name HB1) (resid 152 and name HD13)
assign (resid 153 and name HB1) (resid 153 and name HB2) 2.421 0.732 0.732 weight 1.000 ! spec=HCH, no=6081, id=8851, vol=6.370000e+07
assign (resid 153 and name HB1) (resid 154 and name HA) 3.986 1.986 1.986 weight 1.000 ! spec=HCH, no=6086, id=8856, vol=3.200000e+06
assign (resid 154 and name HA) (resid 64 and name HA) 3.746 1.754 1.754 weight 1.000 ! spec=HCH, no=6090, id=8860, vol=4.640000e+06
assign (resid 154 and name HA) (resid 154 and name HE2) 3.628 1.645 1.645 weight 1.000 ! spec=HCH, no=6091, id=8861, vol=5.620000e+06
    or (resid 154 and name HA) (resid 154 and name HE1)
assign (resid 154 and name HA) (resid 37 and name HD1) 3.799 1.804 1.804 weight 1.000 ! spec=HCH, no=6094, id=8864, vol=4.270000e+06
assign (resid 154 and name HA) (resid 37 and name HE1) 3.942 1.942 1.942 weight 1.000 ! spec=HCH, no=6095, id=8865, vol=3.420000e+06
assign (resid 154 and name HA) (resid 154 and name HB1) 3.107 1.206 1.206 weight 1.000 ! spec=HCH, no=6098, id=8868, vol=1.430000e+07
assign (resid 154 and name HA) (resid 154 and name HG1) 3.205 1.284 1.284 weight 1.000 ! spec=HCH, no=6099, id=8869, vol=1.180000e+07
assign (resid 154 and name HA) (resid 155 and name HG21) 3.018 1.139 1.139 weight 1.000 ! spec=HCH, no=6101, id=8871, vol=1.700000e+07
    or (resid 154 and name HA) (resid 155 and name HG22)
    or (resid 154 and name HA) (resid 155 and name HG23)
assign (resid 154 and name HB2) (resid 154 and name HE2) 3.500 1.531 1.531 weight 1.000 ! spec=HCH, no=6102, id=8872, vol=6.980000e+06
    or (resid 154 and name HB2) (resid 154 and name HE1)
assign (resid 154 and name HB2) (resid 37 and name HD1) 3.805 1.809 1.809 weight 1.000 ! spec=HCH, no=6103, id=8873, vol=4.230000e+06
    or (resid 154 and name HB2) (resid 37 and name HD2)
assign (resid 154 and name HB1) (resid 37 and name HD1) 3.954 1.954 1.954 weight 1.000 ! spec=HCH, no=6104, id=8874, vol=3.360000e+06
    or (resid 154 and name HB1) (resid 37 and name HD2)
assign (resid 154 and name HB2) (resid 37 and name HD1) 3.733 1.742 1.742 weight 1.000 ! spec=HCH, no=6105, id=8875, vol=4.740000e+06
assign (resid 154 and name HB2) (resid 37 and name HE1) 3.773 1.780 1.780 weight 1.000 ! spec=HCH, no=6107, id=8877, vol=4.440000e+06
assign (resid 154 and name HB2) (resid 62 and name HN) 4.065 2.065 2.065 weight 1.000 ! spec=HCH, no=6108, id=8878, vol=2.840000e+06
assign (resid 154 and name HB1) (resid 62 and name HN) 3.974 1.975 1.975 weight 1.000 ! spec=HCH, no=6109, id=8879, vol=3.250000e+06
assign (resid 154 and name HB2) (resid 64 and name HN) 3.872 1.874 1.874 weight 1.000 ! spec=HCH, no=6110, id=8880, vol=3.800000e+06
assign (resid 154 and name HB1) (resid 64 and name HA) 3.438 1.478 1.478 weight 1.000 ! spec=HCH, no=6112, id=8882, vol=7.760000e+06
assign (resid 154 and name HB1) (resid 65 and name HN) 3.842 1.845 1.845 weight 1.000 ! spec=HCH, no=6116, id=8886, vol=3.990000e+06
assign (resid 154 and name HB2) (resid 154 and name HN) 3.250 1.320 1.320 weight 1.000 ! spec=HCH, no=6117, id=8887, vol=1.090000e+07
assign (resid 154 and name HB2) (resid 154 and name HA) 3.059 1.170 1.170 weight 1.000 ! spec=HCH, no=6119, id=8889, vol=1.570000e+07
assign (resid 154 and name HB1) (resid 154 and name HB2) 2.345 0.687 0.687 weight 1.000 ! spec=HCH, no=6123, id=8892, vol=7.720000e+07
assign (resid 154 and name HB1) (resid 154 and name HG2) 3.146 1.237 1.237 weight 1.000 ! spec=HCH, no=6125, id=8893, vol=1.320000e+07
assign (resid 154 and name HB2) (resid 154 and name HG1) 2.751 0.946 0.946 weight 1.000 ! spec=HCH, no=6126, id=8894, vol=2.960000e+07
assign (resid 154 and name HB1) (resid 154 and name HG1) 2.869 1.029 1.029 weight 1.000 ! spec=HCH, no=6127, id=8895, vol=2.300000e+07
assign (resid 154 and name HB1) (resid 154 and name HE2) 3.753 1.761 1.761 weight 1.000 ! spec=HCH, no=6128, id=8896, vol=4.590000e+06
assign (resid 35 and name HB2) (resid 154 and name HD2) 3.593 1.614 1.614 weight 1.000 ! spec=HCH, no=6132, id=8900, vol=5.960000e+06
assign (resid 154 and name HD2) (resid 154 and name HA) 3.768 1.775 1.775 weight 1.000 ! spec=HCH, no=6134, id=8902, vol=4.480000e+06
assign (resid 154 and name HD2) (resid 64 and name HA) 2.949 1.087 1.087 weight 1.000 ! spec=HCH, no=6136, id=8904, vol=1.950000e+07
assign (resid 154 and name HD2) (resid 154 and name HG1) 2.402 0.721 0.721 weight 1.000 ! spec=HCH, no=6137, id=8905, vol=6.670000e+07
assign (resid 154 and name HD2) (resid 65 and name HN) 2.817 0.992 0.992 weight 1.000 ! spec=HCH, no=6139, id=8907, vol=2.560000e+07
assign (resid 154 and name HD2) (resid 154 and name HG2) 2.536 0.804 0.804 weight 1.000 ! spec=HCH, no=6141, id=8909, vol=4.820000e+07
assign (resid 154 and name HD2) (resid 154 and name HE2) 2.606 0.849 0.849 weight 1.000 ! spec=HCH, no=6143, id=8910, vol=4.090000e+07
assign (resid 154 and name HD2) (resid 155 and name HN) 3.687 1.699 1.699 weight 1.000 ! spec=HCH, no=6144, id=8911, vol=5.100000e+06
assign (resid 155 and name HN) (resid 154 and name HE2) 3.434 1.474 1.474 weight 1.000 ! spec=HCH, no=6154, id=8919, vol=7.820000e+06
assign (resid 154 and name HG1) (resid 74 and name HE1) 4.018 2.019 2.019 weight 1.000 ! spec=HCH, no=6161, id=8926, vol=3.050000e+06
assign (resid 64 and name HA) (resid 154 and name HG1) 3.599 1.619 1.619 weight 1.000 ! spec=HCH, no=6162, id=8927, vol=5.900000e+06
assign (resid 154 and name HN) (resid 154 and name HG1) 3.632 1.649 1.649 weight 1.000 ! spec=HCH, no=6163, id=8928, vol=5.590000e+06
assign (resid 154 and name HG2) (resid 154 and name HA) 3.362 1.413 1.413 weight 1.000 ! spec=HCH, no=6164, id=8929, vol=8.880000e+06
assign (resid 154 and name HG1) (resid 154 and name HG2) 2.459 0.756 0.756 weight 1.000 ! spec=HCH, no=6165, id=8930, vol=5.800000e+07
assign (resid 154 and name HG2) (resid 154 and name HE2) 2.935 1.077 1.077 weight 1.000 ! spec=HCH, no=6166, id=8931, vol=2.010000e+07
assign (resid 155 and name HA) (resid 155 and name HB) 2.494 0.777 0.777 weight 1.000 ! spec=HCH, no=6171, id=8936, vol=5.330000e+07
assign (resid 156 and name HN) (resid 155 and name HB) 3.202 1.282 1.282 weight 1.000 ! spec=HCH, no=6183, id=8948, vol=1.190000e+07
assign (resid 155 and name HB) (resid 29 and name HZ3) 3.529 1.557 1.557 weight 1.000 ! spec=HCH, no=6185, id=8950, vol=6.640000e+06
assign (resid 155 and name HB) (resid 154 and name HA) 3.875 1.877 1.877 weight 1.000 ! spec=HCH, no=6186, id=8951, vol=3.790000e+06
assign (resid 155 and name HN) (resid 155 and name HB) 3.207 1.286 1.286 weight 1.000 ! spec=HCH, no=6187, id=8952, vol=1.180000e+07
assign (resid 61 and name HB2) (resid 155 and name HG21) 2.490 0.775 0.775 weight 1.000 ! spec=HCH, no=6199, id=8963, vol=5.380000e+07
    or (resid 61 and name HB2) (resid 155 and name HG22)
    or (resid 61 and name HB2) (resid 155 and name HG23)
    or (resid 61 and name HB1) (resid 155 and name HG21)
    or (resid 61 and name HB1) (resid 155 and name HG22)
    or (resid 61 and name HB1) (resid 155 and name HG23)
    or (resid 61 and name HB3) (resid 155 and name HG21)
    or (resid 61 and name HB3) (resid 155 and name HG22)
    or (resid 61 and name HB3) (resid 155 and name HG23)
assign (resid 155 and name HG21) (resid 29 and name HE3) 3.167 1.253 1.253 weight 1.000 ! spec=HCH, no=6200, id=8964, vol=1.270000e+07
    or (resid 155 and name HG22) (resid 29 and name HE3)
    or (resid 155 and name HG23) (resid 29 and name HE3)
assign (resid 155 and name HG21) (resid 29 and name HZ3) 2.997 1.123 1.123 weight 1.000 ! spec=HCH, no=6201, id=8965, vol=1.770000e+07
    or (resid 155 and name HG22) (resid 29 and name HZ3)
    or (resid 155 and name HG23) (resid 29 and name HZ3)
assign (resid 155 and name HG21) (resid 35 and name HA) 3.698 1.710 1.710 weight 1.000 ! spec=HCH, no=6202, id=8966, vol=5.010000e+06
    or (resid 155 and name HG22) (resid 35 and name HA)
    or (resid 155 and name HG23) (resid 35 and name HA)
assign (resid 155 and name HG21) (resid 35 and name HB2) 3.521 1.550 1.550 weight 1.000 ! spec=HCH, no=6203, id=8967, vol=6.730000e+06
    or (resid 155 and name HG22) (resid 35 and name HB2)
    or (resid 155 and name HG23) (resid 35 and name HB2)
assign (resid 36 and name HB2) (resid 155 and name HG21) 2.551 0.813 0.813 weight 1.000 ! spec=HCH, no=6205, id=8969, vol=4.650000e+07
    or (resid 36 and name HB2) (resid 155 and name HG22)
    or (resid 36 and name HB2) (resid 155 and name HG23)
assign (resid 36 and name HB1) (resid 155 and name HG21) 2.642 0.873 0.873 weight 1.000 ! spec=HCH, no=6206, id=8970, vol=3.770000e+07
    or (resid 36 and name HB1) (resid 155 and name HG22)
    or (resid 36 and name HB1) (resid 155 and name HG23)
assign (resid 155 and name HG21) (resid 37 and name HN) 3.862 1.865 1.865 weight 1.000 ! spec=HCH, no=6207, id=8971, vol=3.860000e+06
    or (resid 155 and name HG22) (resid 37 and name HN)
    or (resid 155 and name HG23) (resid 37 and name HN)
assign (resid 155 and name HG21) (resid 38 and name HG22) 3.616 1.634 1.634 weight 1.000 ! spec=HCH, no=6208, id=8972, vol=5.740000e+06
    or (resid 155 and name HG21) (resid 38 and name HG21)
    or (resid 155 and name HG21) (resid 38 and name HG23)
    or (resid 155 and name HG22) (resid 38 and name HG22)
    or (resid 155 and name HG22) (resid 38 and name HG21)
    or (resid 155 and name HG22) (resid 38 and name HG23)
    or (resid 155 and name HG23) (resid 38 and name HG22)
    or (resid 155 and name HG23) (resid 38 and name HG21)
    or (resid 155 and name HG23) (resid 38 and name HG23)
assign (resid 155 and name HG21) (resid 155 and name HN) 2.630 0.865 0.865 weight 1.000 ! spec=HCH, no=6210, id=8974, vol=3.870000e+07
    or (resid 155 and name HG22) (resid 155 and name HN)
    or (resid 155 and name HG23) (resid 155 and name HN)
assign (resid 155 and name HG21) (resid 155 and name HA) 2.738 0.937 0.937 weight 1.000 ! spec=HCH, no=6211, id=8975, vol=3.040000e+07
    or (resid 155 and name HG22) (resid 155 and name HA)
    or (resid 155 and name HG23) (resid 155 and name HA)
assign (resid 155 and name HB) (resid 155 and name HG21) 2.320 0.673 0.673 weight 1.000 ! spec=HCH, no=6212, id=8976, vol=8.220000e+07
    or (resid 155 and name HB) (resid 155 and name HG22)
    or (resid 155 and name HB) (resid 155 and name HG23)
assign (resid 155 and name HG21) (resid 155 and name HG22) 1.274 0.203 0.203 weight 1.000 ! spec=HCH, no=6213, id=8977, vol=3.000000e+09
    or (resid 155 and name HG21) (resid 155 and name HG23)
    or (resid 155 and name HG21) (resid 155 and name HG22)
    or (resid 155 and name HG22) (resid 155 and name HG23)
    or (resid 155 and name HG21) (resid 155 and name HG23)
    or (resid 155 and name HG22) (resid 155 and name HG23)
assign (resid 156 and name HA) (resid 157 and name HG22) 2.845 1.012 1.012 weight 1.000 ! spec=HCH, no=6219, id=8983, vol=2.420000e+07
    or (resid 156 and name HA) (resid 157 and name HG21)
    or (resid 156 and name HA) (resid 157 and name HG23)
assign (resid 156 and name HB2) (resid 154 and name HE2) 3.420 1.462 1.462 weight 1.000 ! spec=HCH, no=6220, id=8984, vol=8.010000e+06
    or (resid 156 and name HB2) (resid 154 and name HE1)
    or (resid 156 and name HB1) (resid 154 and name HE2)
    or (resid 156 and name HB1) (resid 154 and name HE1)
    or (resid 156 and name HB3) (resid 154 and name HE2)
    or (resid 156 and name HB3) (resid 154 and name HE1)
assign (resid 156 and name HB2) (resid 35 and name HB2) 3.831 1.834 1.834 weight 1.000 ! spec=HCH, no=6225, id=8989, vol=4.060000e+06
    or (resid 156 and name HB1) (resid 35 and name HB2)
    or (resid 156 and name HB3) (resid 35 and name HB2)
assign (resid 156 and name HA) (resid 156 and name HB2) 2.120 0.562 0.562 weight 1.000 ! spec=HCH, no=6228, id=8992, vol=1.410000e+08
    or (resid 156 and name HA) (resid 156 and name HB1)
    or (resid 156 and name HA) (resid 156 and name HB3)
assign (resid 156 and name HB2) (resid 156 and name HB1) 1.205 0.181 0.181 weight 1.000 ! spec=HCH, no=6229, id=8993, vol=4.200000e+09
    or (resid 156 and name HB2) (resid 156 and name HB3)
    or (resid 156 and name HB2) (resid 156 and name HB1)
    or (resid 156 and name HB1) (resid 156 and name HB3)
    or (resid 156 and name HB2) (resid 156 and name HB3)
    or (resid 156 and name HB1) (resid 156 and name HB3)
assign (resid 156 and name HB2) (resid 157 and name HA) 3.238 1.310 1.310 weight 1.000 ! spec=HCH, no=6231, id=8995, vol=1.110000e+07
    or (resid 156 and name HB1) (resid 157 and name HA)
    or (resid 156 and name HB3) (resid 157 and name HA)
assign (resid 157 and name HA) (resid 35 and name HA) 3.553 1.578 1.578 weight 1.000 ! spec=HCH, no=6237, id=9001, vol=6.370000e+06
assign (resid 157 and name HA) (resid 156 and name HA) 3.568 1.591 1.591 weight 1.000 ! spec=HCH, no=6238, id=9002, vol=6.220000e+06
assign (resid 157 and name HA) (resid 157 and name HB) 2.769 0.959 0.959 weight 1.000 ! spec=HCH, no=6241, id=9005, vol=2.840000e+07
assign (resid 157 and name HA) (resid 157 and name HG12) 2.946 1.085 1.085 weight 1.000 ! spec=HCH, no=6242, id=9006, vol=1.960000e+07
assign (resid 157 and name HA) (resid 158 and name HD1) 2.334 0.681 0.681 weight 1.000 ! spec=HCH, no=6245, id=9009, vol=7.940000e+07
assign (resid 157 and name HA) (resid 158 and name HG2) 3.044 1.158 1.158 weight 1.000 ! spec=HCH, no=6246, id=9010, vol=1.610000e+07
assign (resid 157 and name HB) (resid 35 and name HA) 3.820 1.824 1.824 weight 1.000 ! spec=HCH, no=6249, id=9013, vol=4.130000e+06
assign (resid 157 and name HN) (resid 157 and name HB) 2.656 0.882 0.882 weight 1.000 ! spec=HCH, no=6251, id=9015, vol=3.650000e+07
assign (resid 157 and name HB) (resid 157 and name HG11) 2.673 0.893 0.893 weight 1.000 ! spec=HCH, no=6254, id=9017, vol=3.520000e+07
assign (resid 31 and name HG1) (resid 157 and name HD12) 2.688 0.903 0.903 weight 1.000 ! spec=HCH, no=6258, id=9021, vol=3.400000e+07
    or (resid 31 and name HG1) (resid 157 and name HD11)
    or (resid 31 and name HG1) (resid 157 and name HD13)
assign (resid 35 and name HN) (resid 157 and name HD12) 2.986 1.115 1.115 weight 1.000 ! spec=HCH, no=6260, id=9023, vol=1.810000e+07
    or (resid 35 and name HN) (resid 157 and name HD11)
    or (resid 35 and name HN) (resid 157 and name HD13)
assign (resid 157 and name HD12) (resid 31 and name HA) 3.742 1.750 1.750 weight 1.000 ! spec=HCH, no=6264, id=9027, vol=4.670000e+06
    or (resid 157 and name HD11) (resid 31 and name HA)
    or (resid 157 and name HD13) (resid 31 and name HA)
assign (resid 157 and name HD12) (resid 34 and name HA) 2.491 0.775 0.775 weight 1.000 ! spec=HCH, no=6265, id=9028, vol=5.370000e+07
    or (resid 157 and name HD11) (resid 34 and name HA)
    or (resid 157 and name HD13) (resid 34 and name HA)
assign (resid 157 and name HB) (resid 157 and name HD12) 2.399 0.719 0.719 weight 1.000 ! spec=HCH, no=6269, id=9032, vol=6.730000e+07
    or (resid 157 and name HB) (resid 157 and name HD11)
    or (resid 157 and name HB) (resid 157 and name HD13)
assign (resid 157 and name HD12) (resid 158 and name HD1) 3.440 1.479 1.479 weight 1.000 ! spec=HCH, no=6270, id=9033, vol=7.740000e+06
    or (resid 157 and name HD11) (resid 158 and name HD1)
    or (resid 157 and name HD13) (resid 158 and name HD1)
assign (resid 34 and name HB2) (resid 157 and name HG11) 3.482 1.516 1.516 weight 1.000 ! spec=HCH, no=6278, id=9041, vol=7.190000e+06
    or (resid 157 and name HG11) (resid 34 and name HB1)
assign (resid 157 and name HG12) (resid 23 and name HB2) 3.845 1.848 1.848 weight 1.000 ! spec=HCH, no=6280, id=9043, vol=3.970000e+06
assign (resid 157 and name HG12) (resid 23 and name HB1) 3.650 1.665 1.665 weight 1.000 ! spec=HCH, no=6281, id=9044, vol=5.420000e+06
assign (resid 157 and name HG12) (resid 34 and name HA) 3.498 1.529 1.529 weight 1.000 ! spec=HCH, no=6284, id=9047, vol=7.000000e+06
assign (resid 157 and name HG12) (resid 34 and name HB2) 3.498 1.529 1.529 weight 1.000 ! spec=HCH, no=6285, id=9048, vol=7.000000e+06
assign (resid 157 and name HG12) (resid 35 and name HA) 3.752 1.759 1.759 weight 1.000 ! spec=HCH, no=6286, id=9049, vol=4.600000e+06
assign (resid 157 and name HG11) (resid 157 and name HN) 2.892 1.045 1.045 weight 1.000 ! spec=HCH, no=6288, id=9051, vol=2.190000e+07
assign (resid 157 and name HG11) (resid 157 and name HA) 3.121 1.217 1.217 weight 1.000 ! spec=HCH, no=6289, id=9052, vol=1.390000e+07
assign (resid 157 and name HB) (resid 157 and name HG12) 2.839 1.008 1.008 weight 1.000 ! spec=HCH, no=6290, id=9053, vol=2.450000e+07
assign (resid 157 and name HG11) (resid 157 and name HG12) 2.153 0.579 0.579 weight 1.000 ! spec=HCH, no=6292, id=9054, vol=1.290000e+08
assign (resid 157 and name HG22) (resid 35 and name HA) 3.271 1.338 1.338 weight 1.000 ! spec=HCH, no=6297, id=9059, vol=1.050000e+07
    or (resid 157 and name HG21) (resid 35 and name HA)
    or (resid 157 and name HG23) (resid 35 and name HA)
assign (resid 157 and name HG22) (resid 35 and name HN) 3.614 1.632 1.632 weight 1.000 ! spec=HCH, no=6298, id=9060, vol=5.760000e+06
    or (resid 157 and name HG21) (resid 35 and name HN)
    or (resid 157 and name HG23) (resid 35 and name HN)
assign (resid 157 and name HG22) (resid 35 and name HB2) 3.682 1.694 1.694 weight 1.000 ! spec=HCH, no=6301, id=9062, vol=5.150000e+06
    or (resid 157 and name HG21) (resid 35 and name HB2)
    or (resid 157 and name HG23) (resid 35 and name HB2)
assign (resid 23 and name HB1) (resid 157 and name HG22) 2.672 0.892 0.892 weight 1.000 ! spec=HCH, no=6306, id=9067, vol=3.520000e+07
    or (resid 23 and name HB1) (resid 157 and name HG21)
    or (resid 23 and name HB1) (resid 157 and name HG23)
assign (resid 157 and name HG22) (resid 23 and name HB2) 2.861 1.023 1.023 weight 1.000 ! spec=HCH, no=6307, id=9068, vol=2.340000e+07
    or (resid 157 and name HG21) (resid 23 and name HB2)
    or (resid 157 and name HG23) (resid 23 and name HB2)
assign (resid 157 and name HG22) (resid 23 and name HA) 2.885 1.040 1.040 weight 1.000 ! spec=HCH, no=6308, id=9069, vol=2.230000e+07
    or (resid 157 and name HG21) (resid 23 and name HA)
    or (resid 157 and name HG23) (resid 23 and name HA)
assign (resid 157 and name HG22) (resid 36 and name HN) 3.882 1.884 1.884 weight 1.000 ! spec=HCH, no=6310, id=9071, vol=3.740000e+06
    or (resid 157 and name HG21) (resid 36 and name HN)
    or (resid 157 and name HG23) (resid 36 and name HN)
assign (resid 157 and name HG22) (resid 157 and name HN) 2.673 0.893 0.893 weight 1.000 ! spec=HCH, no=6311, id=9072, vol=3.520000e+07
    or (resid 157 and name HG21) (resid 157 and name HN)
    or (resid 157 and name HG23) (resid 157 and name HN)
assign (resid 157 and name HG22) (resid 157 and name HA) 2.329 0.678 0.678 weight 1.000 ! spec=HCH, no=6312, id=9073, vol=8.030000e+07
    or (resid 157 and name HG21) (resid 157 and name HA)
    or (resid 157 and name HG23) (resid 157 and name HA)
assign (resid 157 and name HB) (resid 157 and name HG22) 2.121 0.562 0.562 weight 1.000 ! spec=HCH, no=6313, id=9074, vol=1.410000e+08
    or (resid 157 and name HB) (resid 157 and name HG21)
    or (resid 157 and name HB) (resid 157 and name HG23)
assign (resid 157 and name HG22) (resid 157 and name HG11) 2.487 0.773 0.773 weight 1.000 ! spec=HCH, no=6314, id=9075, vol=5.410000e+07
    or (resid 157 and name HG21) (resid 157 and name HG11)
    or (resid 157 and name HG23) (resid 157 and name HG11)
assign (resid 157 and name HG22) (resid 157 and name HG21) 1.215 0.185 0.185 weight 1.000 ! spec=HCH, no=6315, id=9076, vol=3.980000e+09
    or (resid 157 and name HG22) (resid 157 and name HG23)
    or (resid 157 and name HG22) (resid 157 and name HG21)
    or (resid 157 and name HG21) (resid 157 and name HG23)
    or (resid 157 and name HG22) (resid 157 and name HG23)
    or (resid 157 and name HG21) (resid 157 and name HG23)
assign (resid 157 and name HG22) (resid 158 and name HD1) 2.715 0.921 0.921 weight 1.000 ! spec=HCH, no=6317, id=9078, vol=3.210000e+07
    or (resid 157 and name HG21) (resid 158 and name HD1)
    or (resid 157 and name HG23) (resid 158 and name HD1)
assign (resid 156 and name HB2) (resid 158 and name HA) 3.503 1.534 1.534 weight 1.000 ! spec=HCH, no=6322, id=9083, vol=6.940000e+06
    or (resid 156 and name HB1) (resid 158 and name HA)
    or (resid 156 and name HB3) (resid 158 and name HA)
assign (resid 158 and name HA) (resid 158 and name HB2) 2.459 0.756 0.756 weight 1.000 ! spec=HCH, no=6325, id=9085, vol=5.800000e+07
assign (resid 158 and name HA) (resid 158 and name HB1) 2.335 0.682 0.682 weight 1.000 ! spec=HCH, no=6326, id=9086, vol=7.900000e+07
assign (resid 158 and name HA) (resid 158 and name HD2) 3.396 1.442 1.442 weight 1.000 ! spec=HCH, no=6327, id=9087, vol=8.350000e+06
assign (resid 158 and name HA) (resid 158 and name HD1) 3.414 1.457 1.457 weight 1.000 ! spec=HCH, no=6328, id=9088, vol=8.100000e+06
assign (resid 159 and name HN) (resid 158 and name HA) 2.320 0.673 0.673 weight 1.000 ! spec=HCH, no=6329, id=9089, vol=8.220000e+07
assign (resid 158 and name HB2) (resid 158 and name HD1) 3.104 1.204 1.204 weight 1.000 ! spec=HCH, no=6331, id=9091, vol=1.430000e+07
assign (resid 158 and name HB2) (resid 158 and name HB1) 2.036 0.518 0.518 weight 1.000 ! spec=HCH, no=6337, id=9097, vol=1.800000e+08
assign (resid 158 and name HB2) (resid 158 and name HD2) 3.125 1.221 1.221 weight 1.000 ! spec=HCH, no=6338, id=9098, vol=1.380000e+07
assign (resid 158 and name HB1) (resid 158 and name HD1) 3.098 1.200 1.200 weight 1.000 ! spec=HCH, no=6341, id=9101, vol=1.450000e+07
assign (resid 158 and name HB1) (resid 158 and name HD2) 3.004 1.128 1.128 weight 1.000 ! spec=HCH, no=6344, id=9104, vol=1.740000e+07
assign (resid 157 and name HG12) (resid 158 and name HD2) 3.657 1.671 1.671 weight 1.000 ! spec=HCH, no=6345, id=9105, vol=5.360000e+06
assign (resid 157 and name HA) (resid 158 and name HD2) 2.431 0.738 0.738 weight 1.000 ! spec=HCH, no=6346, id=9106, vol=6.220000e+07
assign (resid 157 and name HG12) (resid 158 and name HD1) 3.743 1.751 1.751 weight 1.000 ! spec=HCH, no=6347, id=9107, vol=4.670000e+06
assign (resid 156 and name HB2) (resid 158 and name HD2) 3.420 1.462 1.462 weight 1.000 ! spec=HCH, no=6353, id=9113, vol=8.010000e+06
    or (resid 156 and name HB1) (resid 158 and name HD2)
    or (resid 156 and name HB3) (resid 158 and name HD2)
assign (resid 158 and name HD1) (resid 157 and name HN) 3.765 1.772 1.772 weight 1.000 ! spec=HCH, no=6356, id=9116, vol=4.500000e+06
assign (resid 157 and name HB) (resid 158 and name HD2) 3.116 1.214 1.214 weight 1.000 ! spec=HCH, no=6357, id=9117, vol=1.400000e+07
assign (resid 157 and name HB) (resid 158 and name HD1) 3.302 1.363 1.363 weight 1.000 ! spec=HCH, no=6358, id=9118, vol=9.890000e+06
assign (resid 158 and name HD1) (resid 158 and name HD2) 2.043 0.522 0.522 weight 1.000 ! spec=HCH, no=6364, id=9123, vol=1.770000e+08
assign (resid 158 and name HD2) (resid 158 and name HG2) 2.452 0.751 0.751 weight 1.000 ! spec=HCH, no=6366, id=9124, vol=5.910000e+07
assign (resid 158 and name HD1) (resid 158 and name HG2) 2.492 0.777 0.777 weight 1.000 ! spec=HCH, no=6367, id=9125, vol=5.350000e+07
assign (resid 158 and name HG2) (resid 158 and name HA) 3.011 1.134 1.134 weight 1.000 ! spec=HCH, no=6370, id=9128, vol=1.720000e+07
assign (resid 158 and name HG2) (resid 158 and name HB1) 2.228 0.620 0.620 weight 1.000 ! spec=HCH, no=6371, id=9129, vol=1.050000e+08
assign (resid 158 and name HG2) (resid 159 and name HE1) 4.042 2.043 2.043 weight 1.000 ! spec=HCH, no=6375, id=9132, vol=2.940000e+06
assign (resid 160 and name HN) (resid 159 and name HA) 2.590 0.839 0.839 weight 1.000 ! spec=HCH, no=6379, id=9135, vol=4.250000e+07
assign (resid 159 and name HB2) (resid 157 and name HG22) 3.363 1.413 1.413 weight 1.000 ! spec=HCH, no=6382, id=9138, vol=8.870000e+06
    or (resid 159 and name HB2) (resid 157 and name HG21)
    or (resid 159 and name HB2) (resid 157 and name HG23)
assign (resid 159 and name HA) (resid 159 and name HB2) 2.327 0.677 0.677 weight 1.000 ! spec=HCH, no=6385, id=9141, vol=8.090000e+07
assign (resid 159 and name HB2) (resid 159 and name HD1) 2.477 0.767 0.767 weight 1.000 ! spec=HCH, no=6387, id=9142, vol=5.550000e+07
assign (resid 159 and name HB2) (resid 159 and name HE1) 3.623 1.641 1.641 weight 1.000 ! spec=HCH, no=6388, id=9143, vol=5.670000e+06
assign (resid 159 and name HB2) (resid 160 and name HG2) 3.843 1.846 1.846 weight 1.000 ! spec=HCH, no=6390, id=9145, vol=3.980000e+06
assign (resid 160 and name HA) (resid 160 and name HB2) 2.668 0.890 0.890 weight 1.000 ! spec=HCH, no=6394, id=9149, vol=3.550000e+07
assign (resid 160 and name HB1) (resid 160 and name HA) 2.782 0.968 0.968 weight 1.000 ! spec=HCH, no=6399, id=9154, vol=2.770000e+07
assign (resid 160 and name HB2) (resid 160 and name HG2) 2.262 0.639 0.639 weight 1.000 ! spec=HCH, no=6400, id=9155, vol=9.580000e+07
assign (resid 160 and name HB1) (resid 160 and name HG2) 2.485 0.772 0.772 weight 1.000 ! spec=HCH, no=6401, id=9156, vol=5.450000e+07
assign (resid 160 and name HG2) (resid 160 and name HA) 3.218 1.294 1.294 weight 1.000 ! spec=HCH, no=6413, id=9168, vol=1.160000e+07
assign (resid 161 and name HA) (resid 161 and name HB1) 2.852 1.017 1.017 weight 1.000 ! spec=HCH, no=6421, id=9173, vol=2.380000e+07
assign (resid 161 and name HN) (resid 161 and name HA) 2.900 1.051 1.051 weight 1.000 ! spec=HCH, no=6423, id=9175, vol=2.160000e+07
assign (resid 161 and name HB2) (resid 158 and name HB1) 3.120 1.217 1.217 weight 1.000 ! spec=HCH, no=6427, id=9178, vol=1.390000e+07
assign (resid 161 and name HN) (resid 161 and name HB1) 3.160 1.248 1.248 weight 1.000 ! spec=HCH, no=6429, id=9180, vol=1.290000e+07
assign (resid 161 and name HB2) (resid 161 and name HA) 3.393 1.439 1.439 weight 1.000 ! spec=HCH, no=6430, id=9181, vol=8.400000e+06
assign (resid 161 and name HB1) (resid 161 and name HB2) 1.796 0.403 0.403 weight 1.000 ! spec=HCH, no=6433, id=9183, vol=3.820000e+08
assign (resid 161 and name HB1) (resid 161 and name HG2) 1.971 0.486 0.486 weight 1.000 ! spec=HCH, no=6437, id=9186, vol=2.190000e+08
assign (resid 161 and name HD2) (resid 161 and name HB1) 3.496 1.527 1.527 weight 1.000 ! spec=HCH, no=6439, id=9188, vol=7.030000e+06
assign (resid 161 and name HD2) (resid 161 and name HA) 3.357 1.409 1.409 weight 1.000 ! spec=HCH, no=6452, id=9199, vol=8.960000e+06
assign (resid 161 and name HG2) (resid 161 and name HD2) 3.498 1.529 1.529 weight 1.000 ! spec=HCH, no=6457, id=9203, vol=7.000000e+06
assign (resid 29 and name HD1) (resid 26 and name HA) 3.298 1.359 1.359 weight 1.000 ! spec=HCHaro, no=3, id=9204, vol=5.290000e+06
assign (resid 29 and name HD1) (resid 25 and name HG2) 3.663 1.677 1.677 weight 1.000 ! spec=HCHaro, no=4, id=9205, vol=2.820000e+06
assign (resid 29 and name HD1) (resid 25 and name HD2) 3.655 1.670 1.670 weight 1.000 ! spec=HCHaro, no=5, id=9206, vol=2.850000e+06
assign (resid 29 and name HD1) (resid 28 and name HN) 3.685 1.697 1.697 weight 1.000 ! spec=HCHaro, no=6, id=9207, vol=2.720000e+06
assign (resid 29 and name HD1) (resid 25 and name HB1) 3.523 1.552 1.552 weight 1.000 ! spec=HCHaro, no=7, id=9208, vol=3.560000e+06
assign (resid 38 and name HD12) (resid 29 and name HD1) 3.040 1.155 1.155 weight 1.000 ! spec=HCHaro, no=8, id=9209, vol=8.630000e+06
    or (resid 38 and name HD11) (resid 29 and name HD1)
    or (resid 38 and name HD13) (resid 29 and name HD1)
assign (resid 29 and name HD1) (resid 25 and name HB2) 3.277 1.342 1.342 weight 1.000 ! spec=HCHaro, no=9, id=9210, vol=5.500000e+06
assign (resid 29 and name HD1) (resid 26 and name HB1) 3.336 1.391 1.391 weight 1.000 ! spec=HCHaro, no=11, id=9212, vol=4.940000e+06
assign (resid 28 and name HB) (resid 29 and name HD1) 2.882 1.038 1.038 weight 1.000 ! spec=HCHaro, no=12, id=9213, vol=1.190000e+07
assign (resid 28 and name HG21) (resid 29 and name HD1) 3.450 1.488 1.488 weight 1.000 ! spec=HCHaro, no=13, id=9214, vol=4.040000e+06
    or (resid 28 and name HG22) (resid 29 and name HD1)
    or (resid 28 and name HG23) (resid 29 and name HD1)
assign (resid 29 and name HN) (resid 29 and name HD1) 2.511 0.788 0.788 weight 1.000 ! spec=HCHaro, no=14, id=9215, vol=2.720000e+07
assign (resid 29 and name HD1) (resid 29 and name HA) 3.283 1.347 1.347 weight 1.000 ! spec=HCHaro, no=15, id=9216, vol=5.440000e+06
assign (resid 29 and name HE1) (resid 29 and name HD1) 2.434 0.740 0.740 weight 1.000 ! spec=HCHaro, no=17, id=9217, vol=3.280000e+07
assign (resid 29 and name HD1) (resid 29 and name HB2) 2.960 1.095 1.095 weight 1.000 ! spec=HCHaro, no=18, id=9218, vol=1.010000e+07
assign (resid 29 and name HE3) (resid 25 and name HD2) 3.518 1.547 1.547 weight 1.000 ! spec=HCHaro, no=25, id=9224, vol=3.590000e+06
assign (resid 29 and name HE3) (resid 29 and name HA) 3.433 1.473 1.473 weight 1.000 ! spec=HCHaro, no=26, id=9225, vol=4.160000e+06
assign (resid 29 and name HE3) (resid 29 and name HD1) 3.345 1.398 1.398 weight 1.000 ! spec=HCHaro, no=27, id=9226, vol=4.860000e+06
assign (resid 29 and name HE3) (resid 29 and name HZ2) 3.522 1.550 1.550 weight 1.000 ! spec=HCHaro, no=29, id=9227, vol=3.570000e+06
assign (resid 29 and name HB2) (resid 29 and name HE3) 2.785 0.970 0.970 weight 1.000 ! spec=HCHaro, no=31, id=9229, vol=1.460000e+07
assign (resid 29 and name HE3) (resid 36 and name HN) 3.609 1.628 1.628 weight 1.000 ! spec=HCHaro, no=32, id=9230, vol=3.080000e+06
assign (resid 29 and name HE3) (resid 36 and name HA) 3.310 1.370 1.370 weight 1.000 ! spec=HCHaro, no=33, id=9231, vol=5.170000e+06
assign (resid 36 and name HB2) (resid 29 and name HE3) 2.801 0.981 0.981 weight 1.000 ! spec=HCHaro, no=34, id=9232, vol=1.410000e+07
assign (resid 36 and name HB1) (resid 29 and name HE3) 2.786 0.970 0.970 weight 1.000 ! spec=HCHaro, no=35, id=9233, vol=1.460000e+07
assign (resid 29 and name HE3) (resid 38 and name HN) 3.610 1.629 1.629 weight 1.000 ! spec=HCHaro, no=36, id=9234, vol=3.080000e+06
assign (resid 38 and name HB) (resid 29 and name HE3) 3.388 1.435 1.435 weight 1.000 ! spec=HCHaro, no=37, id=9235, vol=4.500000e+06
assign (resid 29 and name HE3) (resid 38 and name HD12) 3.805 1.809 1.809 weight 1.000 ! spec=HCHaro, no=38, id=9236, vol=2.240000e+06
    or (resid 29 and name HE3) (resid 38 and name HD11)
    or (resid 29 and name HE3) (resid 38 and name HD13)
assign (resid 29 and name HZ2) (resid 25 and name HG2) 3.094 1.197 1.197 weight 1.000 ! spec=HCHaro, no=45, id=9242, vol=7.760000e+06
assign (resid 29 and name HZ2) (resid 25 and name HD1) 3.841 1.844 1.844 weight 1.000 ! spec=HCHaro, no=49, id=9246, vol=2.120000e+06
assign (resid 29 and name HE1) (resid 29 and name HZ2) 2.694 0.907 0.907 weight 1.000 ! spec=HCHaro, no=50, id=9247, vol=1.780000e+07
assign (resid 38 and name HG22) (resid 29 and name HZ2) 3.176 1.261 1.261 weight 1.000 ! spec=HCHaro, no=53, id=9249, vol=6.630000e+06
    or (resid 38 and name HG21) (resid 29 and name HZ2)
    or (resid 38 and name HG23) (resid 29 and name HZ2)
assign (resid 29 and name HZ2) (resid 59 and name HB2) 3.115 1.213 1.213 weight 1.000 ! spec=HCHaro, no=54, id=9250, vol=7.450000e+06
assign (resid 29 and name HZ2) (resid 59 and name HB1) 2.988 1.116 1.116 weight 1.000 ! spec=HCHaro, no=55, id=9251, vol=9.560000e+06
assign (resid 29 and name HZ2) (resid 153 and name HB2) 3.721 1.730 1.730 weight 1.000 ! spec=HCHaro, no=56, id=9252, vol=2.570000e+06
assign (resid 29 and name HZ3) (resid 153 and name HB2) 3.442 1.481 1.481 weight 1.000 ! spec=HCHaro, no=62, id=9258, vol=4.100000e+06
assign (resid 29 and name HE3) (resid 29 and name HZ3) 3.238 1.311 1.311 weight 1.000 ! spec=HCHaro, no=69, id=9265, vol=5.910000e+06
assign (resid 29 and name HZ3) (resid 38 and name HB) 3.779 1.785 1.785 weight 1.000 ! spec=HCHaro, no=72, id=9267, vol=2.340000e+06
assign (resid 38 and name HD12) (resid 29 and name HZ3) 3.537 1.564 1.564 weight 1.000 ! spec=HCHaro, no=73, id=9268, vol=3.470000e+06
    or (resid 38 and name HD11) (resid 29 and name HZ3)
    or (resid 38 and name HD13) (resid 29 and name HZ3)
assign (resid 38 and name HG22) (resid 29 and name HZ3) 3.006 1.130 1.130 weight 1.000 ! spec=HCHaro, no=74, id=9269, vol=9.220000e+06
    or (resid 38 and name HG21) (resid 29 and name HZ3)
    or (resid 38 and name HG23) (resid 29 and name HZ3)
assign (resid 29 and name HZ3) (resid 59 and name HB2) 3.258 1.327 1.327 weight 1.000 ! spec=HCHaro, no=75, id=9270, vol=5.690000e+06
assign (resid 29 and name HZ3) (resid 59 and name HB1) 3.430 1.471 1.471 weight 1.000 ! spec=HCHaro, no=76, id=9271, vol=4.180000e+06
assign (resid 61 and name HB2) (resid 29 and name HZ3) 2.432 0.739 0.739 weight 1.000 ! spec=HCHaro, no=77, id=9272, vol=3.290000e+07
    or (resid 61 and name HB1) (resid 29 and name HZ3)
    or (resid 61 and name HB3) (resid 29 and name HZ3)
assign (resid 32 and name HD1) (resid 71 and name HA) 2.831 1.002 1.002 weight 1.000 ! spec=HCHaro, no=81, id=9276, vol=1.320000e+07
assign (resid 32 and name HD1) (resid 33 and name HB2) 2.851 1.016 1.016 weight 1.000 ! spec=HCHaro, no=82, id=9277, vol=1.270000e+07
    or (resid 32 and name HD1) (resid 33 and name HB1)
assign (resid 71 and name HG2) (resid 32 and name HD1) 2.625 0.861 0.861 weight 1.000 ! spec=HCHaro, no=83, id=9278, vol=2.080000e+07
assign (resid 32 and name HD1) (resid 33 and name HG1) 3.123 1.219 1.219 weight 1.000 ! spec=HCHaro, no=84, id=9279, vol=7.340000e+06
assign (resid 32 and name HD1) (resid 75 and name HD12) 3.457 1.494 1.494 weight 1.000 ! spec=HCHaro, no=86, id=9281, vol=3.980000e+06
    or (resid 32 and name HD1) (resid 75 and name HD11)
    or (resid 32 and name HD1) (resid 75 and name HD13)
assign (resid 32 and name HN) (resid 32 and name HD1) 3.207 1.286 1.286 weight 1.000 ! spec=HCHaro, no=87, id=9282, vol=6.250000e+06
assign (resid 32 and name HB1) (resid 32 and name HD1) 2.335 0.681 0.681 weight 1.000 ! spec=HCHaro, no=90, id=9285, vol=4.200000e+07
assign (resid 32 and name HD1) (resid 32 and name HE1) 1.972 0.486 0.486 weight 1.000 ! spec=HCHaro, no=92, id=9286, vol=1.160000e+08
assign (resid 32 and name HD1) (resid 74 and name HE1) 3.195 1.276 1.276 weight 1.000 ! spec=HCHaro, no=96, id=9290, vol=6.400000e+06
assign (resid 71 and name HA) (resid 32 and name HE1) 2.831 1.002 1.002 weight 1.000 ! spec=HCHaro, no=98, id=9292, vol=1.320000e+07
assign (resid 32 and name HE1) (resid 33 and name HG1) 3.180 1.264 1.264 weight 1.000 ! spec=HCHaro, no=100, id=9294, vol=6.580000e+06
assign (resid 32 and name HE1) (resid 70 and name HB1) 2.838 1.007 1.007 weight 1.000 ! spec=HCHaro, no=101, id=9295, vol=1.300000e+07
assign (resid 32 and name HE1) (resid 71 and name HN) 3.367 1.417 1.417 weight 1.000 ! spec=HCHaro, no=103, id=9297, vol=4.670000e+06
assign (resid 32 and name HE1) (resid 71 and name HB2) 2.869 1.029 1.029 weight 1.000 ! spec=HCHaro, no=104, id=9298, vol=1.220000e+07
    or (resid 32 and name HE1) (resid 71 and name HB1)
assign (resid 32 and name HZ) (resid 70 and name HG1) 3.149 1.240 1.240 weight 1.000 ! spec=HCHaro, no=107, id=9301, vol=6.980000e+06
assign (resid 32 and name HZ) (resid 74 and name HA) 3.420 1.462 1.462 weight 1.000 ! spec=HCHaro, no=111, id=9305, vol=4.250000e+06
assign (resid 32 and name HZ) (resid 70 and name HN) 3.527 1.555 1.555 weight 1.000 ! spec=HCHaro, no=112, id=9306, vol=3.540000e+06
assign (resid 32 and name HZ) (resid 70 and name HB2) 2.890 1.044 1.044 weight 1.000 ! spec=HCHaro, no=114, id=9308, vol=1.170000e+07
assign (resid 70 and name HB1) (resid 32 and name HZ) 2.970 1.103 1.103 weight 1.000 ! spec=HCHaro, no=115, id=9309, vol=9.910000e+06
assign (resid 32 and name HZ) (resid 33 and name HG1) 3.174 1.259 1.259 weight 1.000 ! spec=HCHaro, no=116, id=9310, vol=6.660000e+06
assign (resid 31 and name HA) (resid 37 and name HD1) 3.083 1.188 1.188 weight 1.000 ! spec=HCHaro, no=117, id=9311, vol=7.930000e+06
assign (resid 35 and name HB1) (resid 37 and name HD1) 3.174 1.259 1.259 weight 1.000 ! spec=HCHaro, no=118, id=9312, vol=6.660000e+06
assign (resid 36 and name HA) (resid 37 and name HD1) 2.612 0.853 0.853 weight 1.000 ! spec=HCHaro, no=119, id=9313, vol=2.140000e+07
assign (resid 32 and name HB1) (resid 37 and name HD1) 2.940 1.081 1.081 weight 1.000 ! spec=HCHaro, no=124, id=9318, vol=1.050000e+07
assign (resid 37 and name HD1) (resid 35 and name HB2) 3.325 1.382 1.382 weight 1.000 ! spec=HCHaro, no=125, id=9319, vol=5.030000e+06
assign (resid 37 and name HD1) (resid 30 and name HN) 3.572 1.595 1.595 weight 1.000 ! spec=HCHaro, no=134, id=9328, vol=3.280000e+06
assign (resid 37 and name HD1) (resid 30 and name HB) 3.130 1.225 1.225 weight 1.000 ! spec=HCHaro, no=135, id=9329, vol=7.230000e+06
assign (resid 37 and name HN) (resid 37 and name HD1) 2.555 0.816 0.816 weight 1.000 ! spec=HCHaro, no=137, id=9331, vol=2.450000e+07
assign (resid 37 and name HB1) (resid 37 and name HD1) 2.451 0.751 0.751 weight 1.000 ! spec=HCHaro, no=139, id=9333, vol=3.140000e+07
assign (resid 37 and name HD1) (resid 74 and name HE1) 3.056 1.167 1.167 weight 1.000 ! spec=HCHaro, no=141, id=9335, vol=8.360000e+06
assign (resid 35 and name HB1) (resid 37 and name HE1) 2.726 0.929 0.929 weight 1.000 ! spec=HCHaro, no=147, id=9341, vol=1.660000e+07
assign (resid 32 and name HA) (resid 37 and name HE1) 3.207 1.285 1.285 weight 1.000 ! spec=HCHaro, no=148, id=9342, vol=6.260000e+06
assign (resid 35 and name HN) (resid 37 and name HE1) 3.423 1.465 1.465 weight 1.000 ! spec=HCHaro, no=150, id=9344, vol=4.230000e+06
assign (resid 37 and name HE1) (resid 74 and name HZ) 3.214 1.291 1.291 weight 1.000 ! spec=HCHaro, no=152, id=9346, vol=6.180000e+06
assign (resid 35 and name HB2) (resid 37 and name HE1) 3.010 1.133 1.133 weight 1.000 ! spec=HCHaro, no=155, id=9349, vol=9.150000e+06
assign (resid 37 and name HE1) (resid 31 and name HA) 3.178 1.262 1.262 weight 1.000 ! spec=HCHaro, no=160, id=9354, vol=6.610000e+06
assign (resid 32 and name HB2) (resid 37 and name HE1) 2.759 0.951 0.951 weight 1.000 ! spec=HCHaro, no=161, id=9355, vol=1.540000e+07
assign (resid 32 and name HB1) (resid 37 and name HE1) 2.501 0.782 0.782 weight 1.000 ! spec=HCHaro, no=162, id=9356, vol=2.780000e+07
assign (resid 37 and name HN) (resid 37 and name HE1) 3.286 1.350 1.350 weight 1.000 ! spec=HCHaro, no=164, id=9358, vol=5.400000e+06
assign (resid 37 and name HD1) (resid 37 and name HE1) 2.062 0.531 0.531 weight 1.000 ! spec=HCHaro, no=167, id=9361, vol=8.860000e+07
assign (resid 37 and name HE1) (resid 74 and name HE1) 3.113 1.212 1.212 weight 1.000 ! spec=HCHaro, no=169, id=9362, vol=7.470000e+06
assign (resid 37 and name HE1) (resid 154 and name HE2) 2.997 1.123 1.123 weight 1.000 ! spec=HCHaro, no=171, id=9364, vol=9.380000e+06
assign (resid 152 and name HB1) (resid 39 and name HD1) 3.206 1.285 1.285 weight 1.000 ! spec=HCHaro, no=174, id=9367, vol=6.270000e+06
assign (resid 152 and name HG) (resid 39 and name HD1) 3.325 1.382 1.382 weight 1.000 ! spec=HCHaro, no=175, id=9368, vol=5.040000e+06
assign (resid 152 and name HB2) (resid 39 and name HD1) 2.767 0.957 0.957 weight 1.000 ! spec=HCHaro, no=176, id=9369, vol=1.520000e+07
assign (resid 40 and name HN) (resid 39 and name HD1) 3.055 1.167 1.167 weight 1.000 ! spec=HCHaro, no=183, id=9375, vol=8.370000e+06
assign (resid 152 and name HA) (resid 39 and name HD1) 3.056 1.167 1.167 weight 1.000 ! spec=HCHaro, no=185, id=9377, vol=8.360000e+06
assign (resid 39 and name HZ) (resid 41 and name HG2) 3.031 1.149 1.149 weight 1.000 ! spec=HCHaro, no=189, id=9381, vol=8.770000e+06
assign (resid 39 and name HZ) (resid 79 and name HD12) 3.221 1.297 1.297 weight 1.000 ! spec=HCHaro, no=199, id=9391, vol=6.090000e+06
    or (resid 39 and name HZ) (resid 79 and name HD11)
    or (resid 39 and name HZ) (resid 79 and name HD13)
assign (resid 59 and name HD2) (resid 55 and name HA) 3.314 1.373 1.373 weight 1.000 ! spec=HCHaro, no=202, id=9394, vol=5.140000e+06
assign (resid 59 and name HD2) (resid 55 and name HB1) 3.430 1.471 1.471 weight 1.000 ! spec=HCHaro, no=204, id=9396, vol=4.180000e+06
assign (resid 59 and name HD2) (resid 40 and name HG) 3.544 1.570 1.570 weight 1.000 ! spec=HCHaro, no=205, id=9397, vol=3.430000e+06
assign (resid 59 and name HD2) (resid 38 and name HD12) 3.379 1.428 1.428 weight 1.000 ! spec=HCHaro, no=207, id=9399, vol=4.570000e+06
    or (resid 59 and name HD2) (resid 38 and name HD11)
    or (resid 59 and name HD2) (resid 38 and name HD13)
assign (resid 40 and name HD12) (resid 59 and name HD2) 2.913 1.061 1.061 weight 1.000 ! spec=HCHaro, no=208, id=9400, vol=1.110000e+07
    or (resid 40 and name HD11) (resid 59 and name HD2)
    or (resid 40 and name HD13) (resid 59 and name HD2)
assign (resid 40 and name HD22) (resid 59 and name HD2) 2.674 0.894 0.894 weight 1.000 ! spec=HCHaro, no=209, id=9401, vol=1.860000e+07
    or (resid 40 and name HD21) (resid 59 and name HD2)
    or (resid 40 and name HD23) (resid 59 and name HD2)
assign (resid 58 and name HB2) (resid 59 and name HD2) 3.203 1.282 1.282 weight 1.000 ! spec=HCHaro, no=210, id=9402, vol=6.310000e+06
assign (resid 59 and name HD2) (resid 58 and name HB1) 3.103 1.204 1.204 weight 1.000 ! spec=HCHaro, no=211, id=9403, vol=7.620000e+06
assign (resid 59 and name HD2) (resid 59 and name HB2) 2.852 1.017 1.017 weight 1.000 ! spec=HCHaro, no=212, id=9404, vol=1.270000e+07
assign (resid 59 and name HD2) (resid 59 and name HB1) 2.865 1.026 1.026 weight 1.000 ! spec=HCHaro, no=213, id=9405, vol=1.230000e+07
assign (resid 59 and name HE1) (resid 38 and name HD12) 3.653 1.668 1.668 weight 1.000 ! spec=HCHaro, no=222, id=9413, vol=2.870000e+06
    or (resid 59 and name HE1) (resid 38 and name HD11)
    or (resid 59 and name HE1) (resid 38 and name HD13)
assign (resid 67 and name HD2) (resid 104 and name HE1) 3.435 1.475 1.475 weight 1.000 ! spec=HCHaro, no=227, id=9417, vol=4.140000e+06
assign (resid 67 and name HB2) (resid 67 and name HD2) 3.227 1.302 1.302 weight 1.000 ! spec=HCHaro, no=230, id=9419, vol=6.020000e+06
assign (resid 67 and name HD2) (resid 65 and name HB2) 3.826 1.829 1.829 weight 1.000 ! spec=HCHaro, no=231, id=9420, vol=2.170000e+06
assign (resid 67 and name HD2) (resid 66 and name HG22) 3.504 1.534 1.534 weight 1.000 ! spec=HCHaro, no=232, id=9421, vol=3.680000e+06
    or (resid 67 and name HD2) (resid 66 and name HG21)
    or (resid 67 and name HD2) (resid 66 and name HG23)
assign (resid 67 and name HD2) (resid 66 and name HA) 3.792 1.797 1.797 weight 1.000 ! spec=HCHaro, no=234, id=9423, vol=2.290000e+06
assign (resid 67 and name HD2) (resid 67 and name HN) 3.503 1.534 1.534 weight 1.000 ! spec=HCHaro, no=235, id=9424, vol=3.680000e+06
assign (resid 67 and name HA) (resid 67 and name HD2) 3.164 1.251 1.251 weight 1.000 ! spec=HCHaro, no=236, id=9425, vol=6.780000e+06
assign (resid 67 and name HB1) (resid 67 and name HD2) 3.256 1.325 1.325 weight 1.000 ! spec=HCHaro, no=237, id=9426, vol=5.710000e+06
assign (resid 67 and name HE1) (resid 111 and name HG21) 3.529 1.557 1.557 weight 1.000 ! spec=HCHaro, no=239, id=9428, vol=3.530000e+06
    or (resid 67 and name HE1) (resid 111 and name HG22)
    or (resid 67 and name HE1) (resid 111 and name HG23)
assign (resid 67 and name HE1) (resid 104 and name HB2) 3.464 1.500 1.500 weight 1.000 ! spec=HCHaro, no=240, id=9429, vol=3.940000e+06
assign (resid 67 and name HE1) (resid 104 and name HD1) 3.112 1.211 1.211 weight 1.000 ! spec=HCHaro, no=244, id=9433, vol=7.490000e+06
assign (resid 104 and name HE1) (resid 67 and name HE1) 3.310 1.369 1.369 weight 1.000 ! spec=HCHaro, no=251, id=9439, vol=5.180000e+06
assign (resid 74 and name HD1) (resid 75 and name HA) 3.373 1.422 1.422 weight 1.000 ! spec=HCHaro, no=254, id=9442, vol=4.620000e+06
assign (resid 74 and name HD1) (resid 32 and name HB2) 3.524 1.552 1.552 weight 1.000 ! spec=HCHaro, no=255, id=9443, vol=3.560000e+06
assign (resid 74 and name HD1) (resid 32 and name HD1) 3.154 1.244 1.244 weight 1.000 ! spec=HCHaro, no=257, id=9445, vol=6.910000e+06
    or (resid 74 and name HD1) (resid 32 and name HD2)
assign (resid 71 and name HA) (resid 74 and name HD1) 3.384 1.432 1.432 weight 1.000 ! spec=HCHaro, no=259, id=9447, vol=4.530000e+06
assign (resid 74 and name HB2) (resid 74 and name HD1) 2.562 0.820 0.820 weight 1.000 ! spec=HCHaro, no=264, id=9452, vol=2.410000e+07
assign (resid 74 and name HB1) (resid 74 and name HD1) 2.576 0.830 0.830 weight 1.000 ! spec=HCHaro, no=265, id=9453, vol=2.330000e+07
assign (resid 74 and name HD1) (resid 74 and name HE1) 2.423 0.734 0.734 weight 1.000 ! spec=HCHaro, no=266, id=9454, vol=3.370000e+07
assign (resid 75 and name HG12) (resid 74 and name HD1) 3.103 1.204 1.204 weight 1.000 ! spec=HCHaro, no=268, id=9455, vol=7.620000e+06
assign (resid 75 and name HG11) (resid 74 and name HD1) 3.012 1.134 1.134 weight 1.000 ! spec=HCHaro, no=269, id=9456, vol=9.110000e+06
assign (resid 74 and name HE1) (resid 74 and name HB2) 3.163 1.250 1.250 weight 1.000 ! spec=HCHaro, no=270, id=9457, vol=6.800000e+06
assign (resid 74 and name HE1) (resid 78 and name HB) 3.626 1.644 1.644 weight 1.000 ! spec=HCHaro, no=274, id=9461, vol=2.990000e+06
assign (resid 74 and name HE1) (resid 37 and name HB2) 3.587 1.608 1.608 weight 1.000 ! spec=HCHaro, no=276, id=9463, vol=3.200000e+06
assign (resid 74 and name HE1) (resid 75 and name HA) 3.731 1.740 1.740 weight 1.000 ! spec=HCHaro, no=277, id=9464, vol=2.520000e+06
assign (resid 74 and name HE1) (resid 64 and name HG11) 3.670 1.684 1.684 weight 1.000 ! spec=HCHaro, no=278, id=9465, vol=2.790000e+06
assign (resid 74 and name HE2) (resid 30 and name HB) 3.596 1.617 1.617 weight 1.000 ! spec=HCHaro, no=279, id=9466, vol=3.150000e+06
assign (resid 32 and name HB2) (resid 74 and name HE1) 3.548 1.573 1.573 weight 1.000 ! spec=HCHaro, no=287, id=9474, vol=3.410000e+06
assign (resid 74 and name HE2) (resid 32 and name HB2) 3.398 1.444 1.444 weight 1.000 ! spec=HCHaro, no=288, id=9475, vol=4.420000e+06
assign (resid 74 and name HE2) (resid 74 and name HZ) 2.602 0.846 0.846 weight 1.000 ! spec=HCHaro, no=302, id=9487, vol=2.190000e+07
assign (resid 74 and name HZ) (resid 37 and name HB1) 3.173 1.258 1.258 weight 1.000 ! spec=HCHaro, no=306, id=9491, vol=6.670000e+06
assign (resid 74 and name HZ) (resid 37 and name HD1) 3.201 1.281 1.281 weight 1.000 ! spec=HCHaro, no=307, id=9492, vol=6.330000e+06
    or (resid 74 and name HZ) (resid 37 and name HD2)
assign (resid 74 and name HZ) (resid 30 and name HB) 2.936 1.078 1.078 weight 1.000 ! spec=HCHaro, no=309, id=9494, vol=1.060000e+07
assign (resid 74 and name HZ) (resid 37 and name HB2) 3.661 1.676 1.676 weight 1.000 ! spec=HCHaro, no=310, id=9495, vol=2.830000e+06
assign (resid 74 and name HZ) (resid 30 and name HD12) 2.929 1.072 1.072 weight 1.000 ! spec=HCHaro, no=312, id=9497, vol=1.080000e+07
    or (resid 74 and name HZ) (resid 30 and name HD11)
    or (resid 74 and name HZ) (resid 30 and name HD13)
assign (resid 30 and name HG22) (resid 74 and name HZ) 2.481 0.769 0.769 weight 1.000 ! spec=HCHaro, no=313, id=9498, vol=2.920000e+07
    or (resid 30 and name HG21) (resid 74 and name HZ)
    or (resid 30 and name HG23) (resid 74 and name HZ)
assign (resid 32 and name HB2) (resid 74 and name HZ) 3.217 1.293 1.293 weight 1.000 ! spec=HCHaro, no=314, id=9499, vol=6.140000e+06
assign (resid 74 and name HZ) (resid 32 and name HB1) 3.285 1.349 1.349 weight 1.000 ! spec=HCHaro, no=315, id=9500, vol=5.410000e+06
assign (resid 74 and name HE1) (resid 74 and name HZ) 2.070 0.536 0.536 weight 1.000 ! spec=HCHaro, no=317, id=9502, vol=8.650000e+07
assign (resid 83 and name HD1) (resid 82 and name HG2) 3.286 1.350 1.350 weight 1.000 ! spec=HCHaro, no=329, id=9513, vol=5.400000e+06
assign (resid 83 and name HE3) (resid 78 and name HG21) 3.726 1.735 1.735 weight 1.000 ! spec=HCHaro, no=338, id=9520, vol=2.540000e+06
    or (resid 83 and name HE3) (resid 78 and name HG22)
    or (resid 83 and name HE3) (resid 78 and name HG23)
assign (resid 83 and name HE3) (resid 83 and name HZ3) 2.780 0.966 0.966 weight 1.000 ! spec=HCHaro, no=341, id=9522, vol=1.470000e+07
assign (resid 83 and name HE3) (resid 83 and name HB2) 2.951 1.088 1.088 weight 1.000 ! spec=HCHaro, no=342, id=9523, vol=1.030000e+07
assign (resid 83 and name HH2) (resid 37 and name HD1) 2.865 1.026 1.026 weight 1.000 ! spec=HCHaro, no=350, id=9531, vol=1.230000e+07
    or (resid 83 and name HH2) (resid 37 and name HD2)
assign (resid 83 and name HH2) (resid 79 and name HD12) 3.505 1.536 1.536 weight 1.000 ! spec=HCHaro, no=351, id=9532, vol=3.670000e+06
    or (resid 83 and name HH2) (resid 79 and name HD11)
    or (resid 83 and name HH2) (resid 79 and name HD13)
assign (resid 38 and name HD12) (resid 83 and name HZ2) 3.661 1.675 1.675 weight 1.000 ! spec=HCHaro, no=369, id=9549, vol=2.830000e+06
    or (resid 38 and name HD11) (resid 83 and name HZ2)
    or (resid 38 and name HD13) (resid 83 and name HZ2)
assign (resid 38 and name HA) (resid 83 and name HZ2) 3.053 1.165 1.165 weight 1.000 ! spec=HCHaro, no=370, id=9550, vol=8.410000e+06
assign (resid 30 and name HN) (resid 83 and name HZ2) 3.632 1.649 1.649 weight 1.000 ! spec=HCHaro, no=371, id=9551, vol=2.960000e+06
assign (resid 40 and name HD12) (resid 83 and name HZ2) 3.712 1.722 1.722 weight 1.000 ! spec=HCHaro, no=376, id=9556, vol=2.600000e+06
    or (resid 40 and name HD11) (resid 83 and name HZ2)
    or (resid 40 and name HD13) (resid 83 and name HZ2)
assign (resid 83 and name HZ2) (resid 29 and name HA) 3.478 1.512 1.512 weight 1.000 ! spec=HCHaro, no=379, id=9559, vol=3.840000e+06
assign (resid 83 and name HZ2) (resid 30 and name HG12) 3.060 1.171 1.171 weight 1.000 ! spec=HCHaro, no=381, id=9561, vol=8.290000e+06
assign (resid 30 and name HG11) (resid 83 and name HZ2) 3.037 1.153 1.153 weight 1.000 ! spec=HCHaro, no=382, id=9562, vol=8.680000e+06
assign (resid 30 and name HD12) (resid 83 and name HZ2) 2.701 0.912 0.912 weight 1.000 ! spec=HCHaro, no=383, id=9563, vol=1.750000e+07
    or (resid 30 and name HD11) (resid 83 and name HZ2)
    or (resid 30 and name HD13) (resid 83 and name HZ2)
assign (resid 83 and name HZ2) (resid 37 and name HB2) 3.328 1.384 1.384 weight 1.000 ! spec=HCHaro, no=385, id=9565, vol=5.010000e+06
assign (resid 83 and name HZ2) (resid 37 and name HB1) 3.207 1.285 1.285 weight 1.000 ! spec=HCHaro, no=386, id=9566, vol=6.260000e+06
assign (resid 83 and name HZ2) (resid 38 and name HG11) 3.291 1.353 1.353 weight 1.000 ! spec=HCHaro, no=387, id=9567, vol=5.360000e+06
assign (resid 83 and name HZ2) (resid 78 and name HG21) 3.322 1.379 1.379 weight 1.000 ! spec=HCHaro, no=388, id=9568, vol=5.070000e+06
    or (resid 83 and name HZ2) (resid 78 and name HG22)
    or (resid 83 and name HZ2) (resid 78 and name HG23)
assign (resid 83 and name HE1) (resid 83 and name HZ2) 2.562 0.820 0.820 weight 1.000 ! spec=HCHaro, no=390, id=9570, vol=2.410000e+07
assign (resid 83 and name HZ3) (resid 79 and name HD12) 3.679 1.691 1.691 weight 1.000 ! spec=HCHaro, no=394, id=9573, vol=2.750000e+06
    or (resid 83 and name HZ3) (resid 79 and name HD11)
    or (resid 83 and name HZ3) (resid 79 and name HD13)
assign (resid 83 and name HZ3) (resid 30 and name HD12) 3.082 1.187 1.187 weight 1.000 ! spec=HCHaro, no=395, id=9574, vol=7.950000e+06
    or (resid 83 and name HZ3) (resid 30 and name HD11)
    or (resid 83 and name HZ3) (resid 30 and name HD13)
assign (resid 83 and name HZ2) (resid 83 and name HZ3) 3.439 1.478 1.478 weight 1.000 ! spec=HCHaro, no=396, id=9575, vol=4.120000e+06
assign (resid 93 and name HN) (resid 94 and name HD1) 3.425 1.466 1.466 weight 1.000 ! spec=HCHaro, no=399, id=9578, vol=4.220000e+06
assign (resid 94 and name HD1) (resid 103 and name HA) 3.718 1.728 1.728 weight 1.000 ! spec=HCHaro, no=405, id=9583, vol=2.580000e+06
assign (resid 94 and name HD1) (resid 105 and name HA) 2.645 0.875 0.875 weight 1.000 ! spec=HCHaro, no=410, id=9588, vol=1.990000e+07
assign (resid 94 and name HD1) (resid 105 and name HB1) 3.566 1.590 1.590 weight 1.000 ! spec=HCHaro, no=413, id=9591, vol=3.310000e+06
assign (resid 94 and name HN) (resid 94 and name HD1) 2.497 0.779 0.779 weight 1.000 ! spec=HCHaro, no=415, id=9593, vol=2.810000e+07
assign (resid 94 and name HB2) (resid 94 and name HD1) 2.336 0.682 0.682 weight 1.000 ! spec=HCHaro, no=417, id=9595, vol=4.190000e+07
assign (resid 94 and name HD1) (resid 94 and name HE1) 2.060 0.530 0.530 weight 1.000 ! spec=HCHaro, no=420, id=9597, vol=8.920000e+07
assign (resid 94 and name HD1) (resid 103 and name HN) 3.492 1.524 1.524 weight 1.000 ! spec=HCHaro, no=423, id=9600, vol=3.760000e+06
assign (resid 103 and name HB2) (resid 94 and name HD1) 3.335 1.391 1.391 weight 1.000 ! spec=HCHaro, no=424, id=9601, vol=4.940000e+06
assign (resid 103 and name HB2) (resid 94 and name HE1) 3.252 1.322 1.322 weight 1.000 ! spec=HCHaro, no=427, id=9604, vol=5.760000e+06
assign (resid 94 and name HE1) (resid 105 and name HA) 2.719 0.924 0.924 weight 1.000 ! spec=HCHaro, no=431, id=9608, vol=1.680000e+07
assign (resid 94 and name HE1) (resid 94 and name HZ) 2.141 0.573 0.573 weight 1.000 ! spec=HCHaro, no=432, id=9609, vol=7.070000e+07
assign (resid 94 and name HZ) (resid 96 and name HB2) 3.383 1.431 1.431 weight 1.000 ! spec=HCHaro, no=435, id=9612, vol=4.540000e+06
assign (resid 103 and name HB2) (resid 94 and name HZ) 3.415 1.458 1.458 weight 1.000 ! spec=HCHaro, no=439, id=9615, vol=4.290000e+06
assign (resid 94 and name HD1) (resid 94 and name HZ) 2.887 1.042 1.042 weight 1.000 ! spec=HCHaro, no=441, id=9616, vol=1.180000e+07
assign (resid 103 and name HD2) (resid 94 and name HZ) 2.925 1.069 1.069 weight 1.000 ! spec=HCHaro, no=442, id=9617, vol=1.090000e+07
assign (resid 94 and name HZ) (resid 105 and name HA) 3.127 1.222 1.222 weight 1.000 ! spec=HCHaro, no=444, id=9619, vol=7.280000e+06
assign (resid 124 and name HD22) (resid 95 and name HD1) 3.229 1.304 1.304 weight 1.000 ! spec=HCHaro, no=449, id=9623, vol=6.000000e+06
    or (resid 124 and name HD21) (resid 95 and name HD1)
    or (resid 124 and name HD23) (resid 95 and name HD1)
assign (resid 102 and name HA) (resid 95 and name HD1) 2.897 1.049 1.049 weight 1.000 ! spec=HCHaro, no=456, id=9630, vol=1.150000e+07
assign (resid 95 and name HA) (resid 95 and name HD1) 2.297 0.659 0.659 weight 1.000 ! spec=HCHaro, no=457, id=9631, vol=4.640000e+07
assign (resid 102 and name HN) (resid 95 and name HD1) 3.001 1.126 1.126 weight 1.000 ! spec=HCHaro, no=461, id=9635, vol=9.310000e+06
assign (resid 95 and name HB2) (resid 95 and name HD1) 2.353 0.692 0.692 weight 1.000 ! spec=HCHaro, no=468, id=9640, vol=4.010000e+07
assign (resid 96 and name HN) (resid 95 and name HD1) 2.906 1.055 1.055 weight 1.000 ! spec=HCHaro, no=472, id=9643, vol=1.130000e+07
assign (resid 95 and name HD1) (resid 102 and name HZ) 3.342 1.396 1.396 weight 1.000 ! spec=HCHaro, no=474, id=9645, vol=4.890000e+06
assign (resid 95 and name HD1) (resid 102 and name HD1) 2.661 0.885 0.885 weight 1.000 ! spec=HCHaro, no=475, id=9646, vol=1.920000e+07
assign (resid 100 and name HN) (resid 95 and name HE1) 3.286 1.350 1.350 weight 1.000 ! spec=HCHaro, no=481, id=9652, vol=5.410000e+06
assign (resid 101 and name HN) (resid 95 and name HE1) 2.787 0.971 0.971 weight 1.000 ! spec=HCHaro, no=486, id=9656, vol=1.450000e+07
assign (resid 95 and name HE1) (resid 102 and name HZ) 3.381 1.429 1.429 weight 1.000 ! spec=HCHaro, no=487, id=9657, vol=4.550000e+06
assign (resid 100 and name HA) (resid 95 and name HE1) 2.819 0.993 0.993 weight 1.000 ! spec=HCHaro, no=488, id=9658, vol=1.360000e+07
assign (resid 95 and name HD1) (resid 95 and name HE1) 1.947 0.474 0.474 weight 1.000 ! spec=HCHaro, no=498, id=9668, vol=1.250000e+08
assign (resid 96 and name HN) (resid 95 and name HE1) 3.508 1.538 1.538 weight 1.000 ! spec=HCHaro, no=500, id=9669, vol=3.660000e+06
assign (resid 95 and name HE1) (resid 102 and name HN) 3.122 1.218 1.218 weight 1.000 ! spec=HCHaro, no=503, id=9672, vol=7.350000e+06
assign (resid 124 and name HD22) (resid 95 and name HE1) 2.800 0.980 0.980 weight 1.000 ! spec=HCHaro, no=505, id=9674, vol=1.410000e+07
    or (resid 124 and name HD21) (resid 95 and name HE1)
    or (resid 124 and name HD23) (resid 95 and name HE1)
assign (resid 95 and name HA) (resid 102 and name HD1) 3.092 1.195 1.195 weight 1.000 ! spec=HCHaro, no=509, id=9678, vol=7.790000e+06
assign (resid 102 and name HD1) (resid 95 and name HB2) 3.175 1.260 1.260 weight 1.000 ! spec=HCHaro, no=515, id=9684, vol=6.640000e+06
assign (resid 102 and name HB2) (resid 102 and name HD1) 2.596 0.843 0.843 weight 1.000 ! spec=HCHaro, no=520, id=9689, vol=2.220000e+07
assign (resid 102 and name HB1) (resid 102 and name HD1) 2.635 0.868 0.868 weight 1.000 ! spec=HCHaro, no=521, id=9690, vol=2.030000e+07
assign (resid 102 and name HD1) (resid 124 and name HD22) 3.465 1.500 1.500 weight 1.000 ! spec=HCHaro, no=524, id=9692, vol=3.940000e+06
    or (resid 102 and name HD1) (resid 124 and name HD21)
    or (resid 102 and name HD1) (resid 124 and name HD23)
assign (resid 95 and name HB2) (resid 102 and name HE1) 3.084 1.189 1.189 weight 1.000 ! spec=HCHaro, no=525, id=9693, vol=7.910000e+06
assign (resid 124 and name HD22) (resid 102 and name HE1) 2.751 0.946 0.946 weight 1.000 ! spec=HCHaro, no=529, id=9697, vol=1.570000e+07
    or (resid 124 and name HD21) (resid 102 and name HE1)
    or (resid 124 and name HD23) (resid 102 and name HE1)
assign (resid 102 and name HE1) (resid 95 and name HD1) 3.240 1.313 1.313 weight 1.000 ! spec=HCHaro, no=535, id=9703, vol=5.880000e+06
assign (resid 102 and name HE1) (resid 102 and name HA) 3.301 1.362 1.362 weight 1.000 ! spec=HCHaro, no=537, id=9705, vol=5.260000e+06
assign (resid 124 and name HD22) (resid 102 and name HZ) 2.851 1.016 1.016 weight 1.000 ! spec=HCHaro, no=542, id=9709, vol=1.270000e+07
    or (resid 124 and name HD21) (resid 102 and name HZ)
    or (resid 124 and name HD23) (resid 102 and name HZ)
assign (resid 102 and name HZ) (resid 95 and name HB2) 3.421 1.463 1.463 weight 1.000 ! spec=HCHaro, no=547, id=9714, vol=4.240000e+06
assign (resid 102 and name HZ) (resid 140 and name HE2) 3.257 1.326 1.326 weight 1.000 ! spec=HCHaro, no=551, id=9717, vol=5.700000e+06
assign (resid 140 and name HD2) (resid 102 and name HZ) 2.907 1.056 1.056 weight 1.000 ! spec=HCHaro, no=553, id=9719, vol=1.130000e+07
assign (resid 110 and name HG1) (resid 104 and name HD1) 3.282 1.346 1.346 weight 1.000 ! spec=HCHaro, no=554, id=9720, vol=5.450000e+06
assign (resid 110 and name HA) (resid 104 and name HD1) 2.881 1.037 1.037 weight 1.000 ! spec=HCHaro, no=558, id=9724, vol=1.190000e+07
assign (resid 104 and name HN) (resid 104 and name HD1) 2.728 0.930 0.930 weight 1.000 ! spec=HCHaro, no=562, id=9728, vol=1.650000e+07
assign (resid 104 and name HA) (resid 104 and name HD1) 3.428 1.469 1.469 weight 1.000 ! spec=HCHaro, no=563, id=9729, vol=4.190000e+06
assign (resid 104 and name HB2) (resid 104 and name HD1) 2.638 0.870 0.870 weight 1.000 ! spec=HCHaro, no=564, id=9730, vol=2.020000e+07
assign (resid 104 and name HB1) (resid 104 and name HD1) 2.913 1.061 1.061 weight 1.000 ! spec=HCHaro, no=565, id=9731, vol=1.110000e+07
assign (resid 104 and name HE1) (resid 104 and name HD1) 2.435 0.741 0.741 weight 1.000 ! spec=HCHaro, no=567, id=9732, vol=3.260000e+07
assign (resid 104 and name HD1) (resid 110 and name HB2) 3.030 1.147 1.147 weight 1.000 ! spec=HCHaro, no=568, id=9733, vol=8.800000e+06
assign (resid 104 and name HD1) (resid 110 and name HB1) 3.372 1.422 1.422 weight 1.000 ! spec=HCHaro, no=569, id=9734, vol=4.630000e+06
assign (resid 104 and name HE3) (resid 65 and name HA) 3.469 1.504 1.504 weight 1.000 ! spec=HCHaro, no=570, id=9735, vol=3.910000e+06
assign (resid 93 and name HB2) (resid 104 and name HE3) 3.581 1.603 1.603 weight 1.000 ! spec=HCHaro, no=571, id=9736, vol=3.230000e+06
assign (resid 104 and name HE3) (resid 91 and name HD12) 3.756 1.763 1.763 weight 1.000 ! spec=HCHaro, no=574, id=9739, vol=2.420000e+06
    or (resid 104 and name HE3) (resid 91 and name HD11)
    or (resid 104 and name HE3) (resid 91 and name HD13)
assign (resid 104 and name HE3) (resid 64 and name HG22) 3.422 1.464 1.464 weight 1.000 ! spec=HCHaro, no=576, id=9741, vol=4.240000e+06
    or (resid 104 and name HE3) (resid 64 and name HG21)
    or (resid 104 and name HE3) (resid 64 and name HG23)
assign (resid 104 and name HA) (resid 104 and name HE3) 2.859 1.022 1.022 weight 1.000 ! spec=HCHaro, no=577, id=9742, vol=1.250000e+07
assign (resid 104 and name HB2) (resid 104 and name HE3) 3.534 1.561 1.561 weight 1.000 ! spec=HCHaro, no=578, id=9743, vol=3.500000e+06
assign (resid 104 and name HB1) (resid 104 and name HE3) 3.601 1.621 1.621 weight 1.000 ! spec=HCHaro, no=579, id=9744, vol=3.120000e+06
assign (resid 92 and name HN) (resid 104 and name HH2) 3.636 1.653 1.653 weight 1.000 ! spec=HCHaro, no=583, id=9747, vol=2.940000e+06
assign (resid 66 and name HG22) (resid 104 and name HH2) 3.564 1.588 1.588 weight 1.000 ! spec=HCHaro, no=584, id=9748, vol=3.320000e+06
    or (resid 66 and name HG21) (resid 104 and name HH2)
    or (resid 66 and name HG23) (resid 104 and name HH2)
assign (resid 104 and name HH2) (resid 65 and name HA) 3.639 1.656 1.656 weight 1.000 ! spec=HCHaro, no=586, id=9750, vol=2.930000e+06
assign (resid 66 and name HG11) (resid 104 and name HH2) 3.169 1.255 1.255 weight 1.000 ! spec=HCHaro, no=588, id=9752, vol=6.720000e+06
assign (resid 104 and name HH2) (resid 104 and name HZ3) 3.029 1.147 1.147 weight 1.000 ! spec=HCHaro, no=594, id=9757, vol=8.820000e+06
assign (resid 104 and name HZ2) (resid 138 and name HE3) 3.534 1.561 1.561 weight 1.000 ! spec=HCHaro, no=600, id=9763, vol=3.490000e+06
assign (resid 66 and name HG11) (resid 104 and name HZ2) 3.103 1.203 1.203 weight 1.000 ! spec=HCHaro, no=601, id=9764, vol=7.630000e+06
assign (resid 66 and name HB) (resid 104 and name HZ2) 3.058 1.169 1.169 weight 1.000 ! spec=HCHaro, no=604, id=9767, vol=8.320000e+06
assign (resid 113 and name HA) (resid 104 and name HZ2) 3.507 1.538 1.538 weight 1.000 ! spec=HCHaro, no=606, id=9769, vol=3.660000e+06
assign (resid 66 and name HN) (resid 104 and name HZ2) 2.729 0.931 0.931 weight 1.000 ! spec=HCHaro, no=607, id=9770, vol=1.650000e+07
assign (resid 104 and name HZ2) (resid 66 and name HG22) 3.398 1.443 1.443 weight 1.000 ! spec=HCHaro, no=608, id=9771, vol=4.420000e+06
    or (resid 104 and name HZ2) (resid 66 and name HG21)
    or (resid 104 and name HZ2) (resid 66 and name HG23)
assign (resid 91 and name HD22) (resid 104 and name HZ2) 3.485 1.518 1.518 weight 1.000 ! spec=HCHaro, no=609, id=9772, vol=3.800000e+06
    or (resid 91 and name HD21) (resid 104 and name HZ2)
    or (resid 91 and name HD23) (resid 104 and name HZ2)
assign (resid 104 and name HE1) (resid 104 and name HZ2) 2.949 1.087 1.087 weight 1.000 ! spec=HCHaro, no=610, id=9773, vol=1.030000e+07
assign (resid 104 and name HH2) (resid 104 and name HZ2) 2.571 0.826 0.826 weight 1.000 ! spec=HCHaro, no=611, id=9774, vol=2.360000e+07
assign (resid 104 and name HZ2) (resid 104 and name HZ3) 3.401 1.446 1.446 weight 1.000 ! spec=HCHaro, no=613, id=9775, vol=4.400000e+06
assign (resid 104 and name HZ2) (resid 138 and name HH2) 2.580 0.832 0.832 weight 1.000 ! spec=HCHaro, no=615, id=9777, vol=2.310000e+07
assign (resid 104 and name HZ2) (resid 138 and name HZ2) 3.075 1.182 1.182 weight 1.000 ! spec=HCHaro, no=616, id=9778, vol=8.050000e+06
assign (resid 104 and name HZ2) (resid 138 and name HZ3) 3.020 1.140 1.140 weight 1.000 ! spec=HCHaro, no=617, id=9779, vol=8.960000e+06
assign (resid 91 and name HB2) (resid 104 and name HZ3) 3.089 1.193 1.193 weight 1.000 ! spec=HCHaro, no=620, id=9782, vol=7.840000e+06
assign (resid 93 and name HN) (resid 104 and name HZ3) 3.504 1.534 1.534 weight 1.000 ! spec=HCHaro, no=623, id=9785, vol=3.680000e+06
assign (resid 105 and name HD1) (resid 104 and name HA) 3.455 1.492 1.492 weight 1.000 ! spec=HCHaro, no=627, id=9789, vol=4.000000e+06
assign (resid 105 and name HD1) (resid 49 and name HG11) 3.427 1.468 1.468 weight 1.000 ! spec=HCHaro, no=628, id=9790, vol=4.200000e+06
assign (resid 63 and name HB2) (resid 105 and name HD1) 3.160 1.248 1.248 weight 1.000 ! spec=HCHaro, no=629, id=9791, vol=6.830000e+06
assign (resid 92 and name HA2) (resid 105 and name HD1) 3.044 1.158 1.158 weight 1.000 ! spec=HCHaro, no=633, id=9795, vol=8.560000e+06
assign (resid 105 and name HD1) (resid 63 and name HN) 3.822 1.826 1.826 weight 1.000 ! spec=HCHaro, no=634, id=9796, vol=2.180000e+06
assign (resid 105 and name HD1) (resid 49 and name HD12) 3.003 1.127 1.127 weight 1.000 ! spec=HCHaro, no=635, id=9797, vol=9.290000e+06
    or (resid 105 and name HD1) (resid 49 and name HD11)
    or (resid 105 and name HD1) (resid 49 and name HD13)
assign (resid 92 and name HA1) (resid 105 and name HD1) 2.964 1.098 1.098 weight 1.000 ! spec=HCHaro, no=638, id=9800, vol=1.000000e+07
assign (resid 93 and name HN) (resid 105 and name HD1) 3.162 1.250 1.250 weight 1.000 ! spec=HCHaro, no=639, id=9801, vol=6.810000e+06
assign (resid 105 and name HD1) (resid 94 and name HD1) 3.282 1.346 1.346 weight 1.000 ! spec=HCHaro, no=641, id=9803, vol=5.450000e+06
assign (resid 105 and name HB2) (resid 105 and name HD1) 2.731 0.932 0.932 weight 1.000 ! spec=HCHaro, no=643, id=9805, vol=1.640000e+07
assign (resid 105 and name HB1) (resid 105 and name HD1) 2.833 1.004 1.004 weight 1.000 ! spec=HCHaro, no=644, id=9806, vol=1.320000e+07
assign (resid 105 and name HD1) (resid 105 and name HE1) 2.045 0.523 0.523 weight 1.000 ! spec=HCHaro, no=646, id=9807, vol=9.300000e+07
assign (resid 105 and name HE1) (resid 49 and name HG22) 2.691 0.905 0.905 weight 1.000 ! spec=HCHaro, no=648, id=9809, vol=1.790000e+07
    or (resid 105 and name HE1) (resid 49 and name HG21)
    or (resid 105 and name HE1) (resid 49 and name HG23)
assign (resid 105 and name HE1) (resid 63 and name HE2) 3.300 1.361 1.361 weight 1.000 ! spec=HCHaro, no=649, id=9810, vol=5.270000e+06
    or (resid 105 and name HE1) (resid 63 and name HE1)
    or (resid 105 and name HE1) (resid 63 and name HE3)
assign (resid 105 and name HE1) (resid 94 and name HB2) 3.151 1.241 1.241 weight 1.000 ! spec=HCHaro, no=650, id=9811, vol=6.950000e+06
assign (resid 105 and name HE1) (resid 94 and name HD1) 3.632 1.649 1.649 weight 1.000 ! spec=HCHaro, no=651, id=9812, vol=2.970000e+06
assign (resid 49 and name HB) (resid 105 and name HZ) 3.575 1.598 1.598 weight 1.000 ! spec=HCHaro, no=653, id=9813, vol=3.260000e+06
assign (resid 105 and name HZ) (resid 94 and name HA) 3.682 1.695 1.695 weight 1.000 ! spec=HCHaro, no=657, id=9817, vol=2.730000e+06
assign (resid 105 and name HZ) (resid 94 and name HB2) 3.017 1.137 1.137 weight 1.000 ! spec=HCHaro, no=658, id=9818, vol=9.030000e+06
assign (resid 94 and name HB1) (resid 105 and name HZ) 3.170 1.256 1.256 weight 1.000 ! spec=HCHaro, no=659, id=9819, vol=6.710000e+06
assign (resid 69 and name HN) (resid 112 and name HD1) 3.271 1.337 1.337 weight 1.000 ! spec=HCHaro, no=665, id=9824, vol=5.560000e+06
assign (resid 72 and name HB2) (resid 112 and name HD1) 3.092 1.195 1.195 weight 1.000 ! spec=HCHaro, no=667, id=9826, vol=7.790000e+06
assign (resid 112 and name HD1) (resid 112 and name HA) 2.881 1.038 1.038 weight 1.000 ! spec=HCHaro, no=678, id=9837, vol=1.190000e+07
assign (resid 112 and name HB1) (resid 112 and name HD1) 3.094 1.196 1.196 weight 1.000 ! spec=HCHaro, no=679, id=9838, vol=7.760000e+06
assign (resid 72 and name HN) (resid 112 and name HE1) 3.396 1.441 1.441 weight 1.000 ! spec=HCHaro, no=692, id=9850, vol=4.440000e+06
assign (resid 115 and name HD1) (resid 113 and name HB2) 2.670 0.891 0.891 weight 1.000 ! spec=HCHaro, no=694, id=9852, vol=1.880000e+07
assign (resid 113 and name HB1) (resid 115 and name HD1) 2.739 0.938 0.938 weight 1.000 ! spec=HCHaro, no=695, id=9853, vol=1.610000e+07
assign (resid 115 and name HN) (resid 115 and name HD1) 2.630 0.864 0.864 weight 1.000 ! spec=HCHaro, no=698, id=9856, vol=2.060000e+07
assign (resid 115 and name HA) (resid 115 and name HD1) 3.215 1.292 1.292 weight 1.000 ! spec=HCHaro, no=699, id=9857, vol=6.160000e+06
assign (resid 115 and name HB2) (resid 115 and name HD1) 2.362 0.697 0.697 weight 1.000 ! spec=HCHaro, no=700, id=9858, vol=3.920000e+07
assign (resid 115 and name HB1) (resid 115 and name HD1) 2.534 0.803 0.803 weight 1.000 ! spec=HCHaro, no=701, id=9859, vol=2.570000e+07
assign (resid 115 and name HE1) (resid 115 and name HD1) 2.121 0.562 0.562 weight 1.000 ! spec=HCHaro, no=703, id=9860, vol=7.470000e+07
assign (resid 115 and name HE3) (resid 115 and name HZ3) 2.763 0.954 0.954 weight 1.000 ! spec=HCHaro, no=713, id=9870, vol=1.530000e+07
assign (resid 115 and name HE3) (resid 140 and name HG2) 3.760 1.767 1.767 weight 1.000 ! spec=HCHaro, no=715, id=9872, vol=2.410000e+06
assign (resid 140 and name HG1) (resid 115 and name HE3) 3.515 1.544 1.544 weight 1.000 ! spec=HCHaro, no=716, id=9873, vol=3.610000e+06
assign (resid 115 and name HE3) (resid 115 and name HH2) 3.280 1.345 1.345 weight 1.000 ! spec=HCHaro, no=719, id=9876, vol=5.470000e+06
assign (resid 115 and name HH2) (resid 110 and name HE2) 3.710 1.721 1.721 weight 1.000 ! spec=HCHaro, no=721, id=9878, vol=2.610000e+06
    or (resid 115 and name HH2) (resid 110 and name HE1)
    or (resid 115 and name HH2) (resid 110 and name HE3)
assign (resid 129 and name HB2) (resid 115 and name HH2) 2.262 0.639 0.639 weight 1.000 ! spec=HCHaro, no=725, id=9882, vol=5.090000e+07
    or (resid 129 and name HB1) (resid 115 and name HH2)
    or (resid 129 and name HB3) (resid 115 and name HH2)
assign (resid 140 and name HN) (resid 115 and name HH2) 3.703 1.714 1.714 weight 1.000 ! spec=HCHaro, no=726, id=9883, vol=2.640000e+06
assign (resid 91 and name HD22) (resid 115 and name HH2) 3.419 1.461 1.461 weight 1.000 ! spec=HCHaro, no=728, id=9885, vol=4.260000e+06
    or (resid 91 and name HD21) (resid 115 and name HH2)
    or (resid 91 and name HD23) (resid 115 and name HH2)
assign (resid 115 and name HH2) (resid 93 and name HG2) 3.420 1.462 1.462 weight 1.000 ! spec=HCHaro, no=729, id=9886, vol=4.250000e+06
assign (resid 115 and name HH2) (resid 102 and name HB2) 3.720 1.730 1.730 weight 1.000 ! spec=HCHaro, no=730, id=9887, vol=2.570000e+06
assign (resid 115 and name HH2) (resid 102 and name HB1) 3.675 1.688 1.688 weight 1.000 ! spec=HCHaro, no=731, id=9888, vol=2.770000e+06
assign (resid 115 and name HH2) (resid 102 and name HE1) 3.118 1.215 1.215 weight 1.000 ! spec=HCHaro, no=732, id=9889, vol=7.410000e+06
assign (resid 115 and name HE1) (resid 115 and name HH2) 3.661 1.675 1.675 weight 1.000 ! spec=HCHaro, no=733, id=9890, vol=2.830000e+06
assign (resid 140 and name HG2) (resid 115 and name HH2) 3.066 1.175 1.175 weight 1.000 ! spec=HCHaro, no=736, id=9892, vol=8.190000e+06
assign (resid 115 and name HZ2) (resid 110 and name HE2) 3.721 1.731 1.731 weight 1.000 ! spec=HCHaro, no=737, id=9893, vol=2.560000e+06
    or (resid 115 and name HZ2) (resid 110 and name HE1)
    or (resid 115 and name HZ2) (resid 110 and name HE3)
assign (resid 115 and name HZ2) (resid 140 and name HG2) 3.116 1.214 1.214 weight 1.000 ! spec=HCHaro, no=741, id=9897, vol=7.430000e+06
assign (resid 115 and name HZ2) (resid 113 and name HB1) 3.611 1.630 1.630 weight 1.000 ! spec=HCHaro, no=742, id=9898, vol=3.070000e+06
assign (resid 102 and name HB2) (resid 115 and name HZ2) 3.110 1.209 1.209 weight 1.000 ! spec=HCHaro, no=743, id=9899, vol=7.520000e+06
assign (resid 102 and name HB1) (resid 115 and name HZ2) 3.283 1.347 1.347 weight 1.000 ! spec=HCHaro, no=744, id=9900, vol=5.440000e+06
assign (resid 115 and name HZ2) (resid 93 and name HE2) 3.302 1.363 1.363 weight 1.000 ! spec=HCHaro, no=745, id=9901, vol=5.260000e+06
    or (resid 115 and name HZ2) (resid 93 and name HE1)
    or (resid 115 and name HZ2) (resid 93 and name HE3)
assign (resid 115 and name HZ2) (resid 93 and name HG2) 3.507 1.538 1.538 weight 1.000 ! spec=HCHaro, no=746, id=9902, vol=3.660000e+06
assign (resid 115 and name HE1) (resid 115 and name HZ2) 2.532 0.801 0.801 weight 1.000 ! spec=HCHaro, no=748, id=9904, vol=2.580000e+07
assign (resid 115 and name HZ2) (resid 115 and name HE3) 3.690 1.702 1.702 weight 1.000 ! spec=HCHaro, no=749, id=9905, vol=2.700000e+06
assign (resid 115 and name HH2) (resid 115 and name HZ2) 2.114 0.559 0.559 weight 1.000 ! spec=HCHaro, no=750, id=9906, vol=7.630000e+07
assign (resid 115 and name HZ2) (resid 138 and name HE3) 3.416 1.459 1.459 weight 1.000 ! spec=HCHaro, no=752, id=9907, vol=4.280000e+06
assign (resid 140 and name HA) (resid 115 and name HZ3) 3.631 1.648 1.648 weight 1.000 ! spec=HCHaro, no=759, id=9914, vol=2.970000e+06
assign (resid 129 and name HB2) (resid 115 and name HZ3) 3.051 1.164 1.164 weight 1.000 ! spec=HCHaro, no=761, id=9916, vol=8.440000e+06
    or (resid 129 and name HB1) (resid 115 and name HZ3)
    or (resid 129 and name HB3) (resid 115 and name HZ3)
assign (resid 115 and name HH2) (resid 115 and name HZ3) 2.798 0.979 0.979 weight 1.000 ! spec=HCHaro, no=768, id=9923, vol=1.420000e+07
assign (resid 115 and name HZ3) (resid 139 and name HA) 3.477 1.511 1.511 weight 1.000 ! spec=HCHaro, no=770, id=9924, vol=3.850000e+06
assign (resid 130 and name HD1) (resid 130 and name HE1) 2.058 0.529 0.529 weight 1.000 ! spec=HCHaro, no=773, id=9927, vol=8.970000e+07
    or (resid 130 and name HD1) (resid 130 and name HE2)
assign (resid 130 and name HA) (resid 130 and name HD1) 3.160 1.248 1.248 weight 1.000 ! spec=HCHaro, no=778, id=9932, vol=6.840000e+06
assign (resid 90 and name HD12) (resid 130 and name HD1) 3.420 1.462 1.462 weight 1.000 ! spec=HCHaro, no=779, id=9933, vol=4.250000e+06
    or (resid 90 and name HD11) (resid 130 and name HD1)
    or (resid 90 and name HD13) (resid 130 and name HD1)
assign (resid 130 and name HD1) (resid 130 and name HN) 2.866 1.027 1.027 weight 1.000 ! spec=HCHaro, no=781, id=9935, vol=1.230000e+07
assign (resid 130 and name HD1) (resid 130 and name HE1) 2.316 0.671 0.671 weight 1.000 ! spec=HCHaro, no=799, id=9952, vol=4.410000e+07
assign (resid 145 and name HG22) (resid 130 and name HZ) 3.037 1.153 1.153 weight 1.000 ! spec=HCHaro, no=803, id=9956, vol=8.670000e+06
    or (resid 145 and name HG21) (resid 130 and name HZ)
    or (resid 145 and name HG23) (resid 130 and name HZ)
assign (resid 128 and name HB2) (resid 130 and name HZ) 3.161 1.249 1.249 weight 1.000 ! spec=HCHaro, no=804, id=9957, vol=6.830000e+06
    or (resid 130 and name HZ) (resid 128 and name HB1)
assign (resid 130 and name HZ) (resid 130 and name HD1) 3.110 1.209 1.209 weight 1.000 ! spec=HCHaro, no=807, id=9960, vol=7.520000e+06
assign (resid 130 and name HZ) (resid 130 and name HE1) 2.406 0.724 0.724 weight 1.000 ! spec=HCHaro, no=808, id=9961, vol=3.510000e+07
assign (resid 132 and name HD2) (resid 87 and name HB2) 3.543 1.569 1.569 weight 1.000 ! spec=HCHaro, no=810, id=9963, vol=3.440000e+06
    or (resid 132 and name HD2) (resid 87 and name HB1)
assign (resid 135 and name HN) (resid 132 and name HD2) 2.820 0.994 0.994 weight 1.000 ! spec=HCHaro, no=811, id=9964, vol=1.350000e+07
assign (resid 132 and name HD2) (resid 136 and name HN) 3.601 1.621 1.621 weight 1.000 ! spec=HCHaro, no=813, id=9966, vol=3.120000e+06
assign (resid 132 and name HD2) (resid 133 and name HN) 3.476 1.510 1.510 weight 1.000 ! spec=HCHaro, no=815, id=9968, vol=3.860000e+06
assign (resid 132 and name HD2) (resid 132 and name HN) 3.657 1.672 1.672 weight 1.000 ! spec=HCHaro, no=818, id=9971, vol=2.840000e+06
assign (resid 132 and name HA) (resid 132 and name HD2) 3.547 1.573 1.573 weight 1.000 ! spec=HCHaro, no=819, id=9972, vol=3.420000e+06
assign (resid 132 and name HB2) (resid 132 and name HD2) 3.134 1.228 1.228 weight 1.000 ! spec=HCHaro, no=820, id=9973, vol=7.180000e+06
assign (resid 132 and name HB1) (resid 132 and name HD2) 2.963 1.097 1.097 weight 1.000 ! spec=HCHaro, no=821, id=9974, vol=1.010000e+07
assign (resid 132 and name HD2) (resid 134 and name HA) 3.538 1.565 1.565 weight 1.000 ! spec=HCHaro, no=823, id=9975, vol=3.470000e+06
assign (resid 134 and name HB2) (resid 132 and name HD2) 2.918 1.064 1.064 weight 1.000 ! spec=HCHaro, no=824, id=9976, vol=1.100000e+07
assign (resid 135 and name HG21) (resid 132 and name HE1) 2.871 1.031 1.031 weight 1.000 ! spec=HCHaro, no=830, id=9982, vol=1.210000e+07
    or (resid 135 and name HG22) (resid 132 and name HE1)
    or (resid 135 and name HG23) (resid 132 and name HE1)
assign (resid 132 and name HE1) (resid 134 and name HB2) 2.563 0.821 0.821 weight 1.000 ! spec=HCHaro, no=834, id=9986, vol=2.400000e+07
    or (resid 132 and name HE1) (resid 134 and name HB1)
assign (resid 132 and name HE1) (resid 132 and name HD2) 3.590 1.611 1.611 weight 1.000 ! spec=HCHaro, no=839, id=9991, vol=3.180000e+06
assign (resid 132 and name HE1) (resid 134 and name HE2) 3.512 1.542 1.542 weight 1.000 ! spec=HCHaro, no=841, id=9992, vol=3.630000e+06
assign (resid 138 and name HB1) (resid 138 and name HD1) 3.020 1.140 1.140 weight 1.000 ! spec=HCHaro, no=843, id=9994, vol=8.970000e+06
assign (resid 131 and name HG) (resid 138 and name HD1) 2.951 1.089 1.089 weight 1.000 ! spec=HCHaro, no=844, id=9995, vol=1.030000e+07
assign (resid 138 and name HD1) (resid 136 and name HA2) 3.651 1.667 1.667 weight 1.000 ! spec=HCHaro, no=846, id=9997, vol=2.870000e+06
assign (resid 91 and name HD12) (resid 138 and name HD1) 3.507 1.538 1.538 weight 1.000 ! spec=HCHaro, no=847, id=9998, vol=3.660000e+06
    or (resid 91 and name HD11) (resid 138 and name HD1)
    or (resid 91 and name HD13) (resid 138 and name HD1)
assign (resid 91 and name HD22) (resid 138 and name HD1) 3.058 1.169 1.169 weight 1.000 ! spec=HCHaro, no=852, id=10002, vol=8.320000e+06
    or (resid 91 and name HD21) (resid 138 and name HD1)
    or (resid 91 and name HD23) (resid 138 and name HD1)
assign (resid 131 and name HD22) (resid 138 and name HD1) 3.025 1.144 1.144 weight 1.000 ! spec=HCHaro, no=854, id=10004, vol=8.890000e+06
    or (resid 131 and name HD21) (resid 138 and name HD1)
    or (resid 131 and name HD23) (resid 138 and name HD1)
assign (resid 138 and name HD1) (resid 136 and name HA1) 3.672 1.686 1.686 weight 1.000 ! spec=HCHaro, no=856, id=10006, vol=2.770000e+06
assign (resid 138 and name HD1) (resid 131 and name HA) 2.689 0.904 0.904 weight 1.000 ! spec=HCHaro, no=859, id=10009, vol=1.800000e+07
assign (resid 131 and name HB2) (resid 138 and name HD1) 2.877 1.035 1.035 weight 1.000 ! spec=HCHaro, no=860, id=10010, vol=1.200000e+07
assign (resid 138 and name HD1) (resid 131 and name HB1) 3.356 1.408 1.408 weight 1.000 ! spec=HCHaro, no=861, id=10011, vol=4.760000e+06
assign (resid 132 and name HN) (resid 138 and name HD1) 3.048 1.162 1.162 weight 1.000 ! spec=HCHaro, no=862, id=10012, vol=8.480000e+06
assign (resid 138 and name HD1) (resid 137 and name HA) 2.893 1.046 1.046 weight 1.000 ! spec=HCHaro, no=864, id=10014, vol=1.160000e+07
assign (resid 138 and name HN) (resid 138 and name HD1) 2.806 0.984 0.984 weight 1.000 ! spec=HCHaro, no=865, id=10015, vol=1.390000e+07
assign (resid 138 and name HA) (resid 138 and name HD1) 2.538 0.805 0.805 weight 1.000 ! spec=HCHaro, no=866, id=10016, vol=2.550000e+07
assign (resid 138 and name HE1) (resid 138 and name HD1) 2.262 0.640 0.640 weight 1.000 ! spec=HCHaro, no=868, id=10017, vol=5.080000e+07
assign (resid 139 and name HN) (resid 138 and name HD1) 3.168 1.254 1.254 weight 1.000 ! spec=HCHaro, no=869, id=10018, vol=6.730000e+06
assign (resid 114 and name HN) (resid 138 and name HE3) 2.842 1.010 1.010 weight 1.000 ! spec=HCHaro, no=870, id=10019, vol=1.290000e+07
assign (resid 113 and name HB2) (resid 138 and name HE3) 2.967 1.101 1.101 weight 1.000 ! spec=HCHaro, no=871, id=10020, vol=9.970000e+06
assign (resid 113 and name HA) (resid 138 and name HE3) 3.171 1.257 1.257 weight 1.000 ! spec=HCHaro, no=873, id=10022, vol=6.700000e+06
assign (resid 138 and name HE3) (resid 138 and name HZ3) 2.403 0.722 0.722 weight 1.000 ! spec=HCHaro, no=875, id=10024, vol=3.530000e+07
assign (resid 138 and name HB2) (resid 138 and name HE3) 2.507 0.785 0.785 weight 1.000 ! spec=HCHaro, no=877, id=10026, vol=2.740000e+07
assign (resid 138 and name HE3) (resid 115 and name HA) 3.269 1.335 1.335 weight 1.000 ! spec=HCHaro, no=880, id=10029, vol=5.580000e+06
assign (resid 138 and name HE3) (resid 115 and name HD1) 3.565 1.589 1.589 weight 1.000 ! spec=HCHaro, no=881, id=10030, vol=3.310000e+06
assign (resid 138 and name HE3) (resid 115 and name HE3) 3.449 1.487 1.487 weight 1.000 ! spec=HCHaro, no=882, id=10031, vol=4.040000e+06
assign (resid 138 and name HE3) (resid 138 and name HA) 3.468 1.503 1.503 weight 1.000 ! spec=HCHaro, no=883, id=10032, vol=3.910000e+06
assign (resid 138 and name HE3) (resid 138 and name HD1) 3.596 1.616 1.616 weight 1.000 ! spec=HCHaro, no=884, id=10033, vol=3.150000e+06
assign (resid 113 and name HA) (resid 138 and name HH2) 2.799 0.979 0.979 weight 1.000 ! spec=HCHaro, no=887, id=10035, vol=1.420000e+07
assign (resid 138 and name HH2) (resid 66 and name HG11) 3.295 1.357 1.357 weight 1.000 ! spec=HCHaro, no=889, id=10037, vol=5.320000e+06
assign (resid 66 and name HN) (resid 138 and name HH2) 3.494 1.526 1.526 weight 1.000 ! spec=HCHaro, no=892, id=10040, vol=3.740000e+06
assign (resid 66 and name HB) (resid 138 and name HH2) 2.855 1.019 1.019 weight 1.000 ! spec=HCHaro, no=893, id=10041, vol=1.260000e+07
assign (resid 113 and name HB1) (resid 138 and name HH2) 3.460 1.496 1.496 weight 1.000 ! spec=HCHaro, no=894, id=10042, vol=3.970000e+06
assign (resid 138 and name HH2) (resid 72 and name HB2) 3.606 1.625 1.625 weight 1.000 ! spec=HCHaro, no=895, id=10043, vol=3.100000e+06
assign (resid 104 and name HH2) (resid 138 and name HH2) 3.153 1.243 1.243 weight 1.000 ! spec=HCHaro, no=896, id=10044, vol=6.920000e+06
assign (resid 138 and name HH2) (resid 112 and name HD1) 2.770 0.959 0.959 weight 1.000 ! spec=HCHaro, no=899, id=10047, vol=1.510000e+07
assign (resid 138 and name HE1) (resid 138 and name HH2) 3.507 1.537 1.537 weight 1.000 ! spec=HCHaro, no=900, id=10048, vol=3.660000e+06
assign (resid 138 and name HE3) (resid 138 and name HH2) 3.312 1.371 1.371 weight 1.000 ! spec=HCHaro, no=901, id=10049, vol=5.160000e+06
assign (resid 138 and name HH2) (resid 138 and name HZ2) 2.515 0.791 0.791 weight 1.000 ! spec=HCHaro, no=903, id=10050, vol=2.690000e+07
assign (resid 138 and name HH2) (resid 138 and name HZ3) 2.527 0.798 0.798 weight 1.000 ! spec=HCHaro, no=904, id=10051, vol=2.610000e+07
assign (resid 66 and name HG11) (resid 138 and name HZ2) 3.094 1.197 1.197 weight 1.000 ! spec=HCHaro, no=906, id=10053, vol=7.750000e+06
assign (resid 66 and name HD12) (resid 138 and name HZ2) 2.664 0.887 0.887 weight 1.000 ! spec=HCHaro, no=907, id=10054, vol=1.900000e+07
    or (resid 66 and name HD11) (resid 138 and name HZ2)
    or (resid 66 and name HD13) (resid 138 and name HZ2)
assign (resid 66 and name HG12) (resid 138 and name HZ2) 3.124 1.220 1.220 weight 1.000 ! spec=HCHaro, no=908, id=10055, vol=7.330000e+06
assign (resid 113 and name HA) (resid 138 and name HZ2) 3.322 1.379 1.379 weight 1.000 ! spec=HCHaro, no=912, id=10059, vol=5.060000e+06
assign (resid 72 and name HA) (resid 138 and name HZ2) 3.498 1.530 1.530 weight 1.000 ! spec=HCHaro, no=913, id=10060, vol=3.710000e+06
assign (resid 66 and name HB) (resid 138 and name HZ2) 2.459 0.756 0.756 weight 1.000 ! spec=HCHaro, no=917, id=10063, vol=3.080000e+07
assign (resid 138 and name HZ2) (resid 66 and name HA) 3.482 1.516 1.516 weight 1.000 ! spec=HCHaro, no=918, id=10064, vol=3.820000e+06
assign (resid 138 and name HZ2) (resid 72 and name HB2) 3.692 1.704 1.704 weight 1.000 ! spec=HCHaro, no=919, id=10065, vol=2.690000e+06
assign (resid 138 and name HZ2) (resid 114 and name HN) 3.576 1.598 1.598 weight 1.000 ! spec=HCHaro, no=924, id=10070, vol=3.260000e+06
assign (resid 138 and name HE1) (resid 138 and name HZ2) 2.723 0.927 0.927 weight 1.000 ! spec=HCHaro, no=925, id=10071, vol=1.670000e+07
assign (resid 113 and name HB2) (resid 138 and name HZ3) 2.892 1.046 1.046 weight 1.000 ! spec=HCHaro, no=927, id=10072, vol=1.160000e+07
assign (resid 138 and name HZ3) (resid 113 and name HN) 3.430 1.471 1.471 weight 1.000 ! spec=HCHaro, no=928, id=10073, vol=4.180000e+06
assign (resid 138 and name HZ2) (resid 138 and name HZ3) 3.245 1.316 1.316 weight 1.000 ! spec=HCHaro, no=930, id=10075, vol=5.830000e+06
assign (resid 113 and name HB1) (resid 138 and name HZ3) 2.848 1.014 1.014 weight 1.000 ! spec=HCHaro, no=931, id=10076, vol=1.280000e+07
assign (resid 138 and name HZ3) (resid 115 and name HD1) 3.504 1.535 1.535 weight 1.000 ! spec=HCHaro, no=935, id=10080, vol=3.680000e+06
assign (resid 114 and name HN) (resid 138 and name HZ3) 3.029 1.147 1.147 weight 1.000 ! spec=HCHaro, no=936, id=10081, vol=8.820000e+06
assign (resid 113 and name HA) (resid 138 and name HZ3) 2.779 0.965 0.965 weight 1.000 ! spec=HCHaro, no=937, id=10082, vol=1.480000e+07
assign (resid 104 and name HH2) (resid 138 and name HZ3) 3.432 1.472 1.472 weight 1.000 ! spec=HCHaro, no=938, id=10083, vol=4.170000e+06
assign (resid 138 and name HZ3) (resid 66 and name HB) 3.648 1.663 1.663 weight 1.000 ! spec=HCHaro, no=939, id=10084, vol=2.890000e+06
assign (resid 138 and name HZ3) (resid 112 and name HD1) 3.521 1.550 1.550 weight 1.000 ! spec=HCHaro, no=940, id=10085, vol=3.570000e+06
assign (resid 159 and name HD1) (resid 157 and name HB) 3.422 1.464 1.464 weight 1.000 ! spec=HCHaro, no=955, id=10097, vol=4.240000e+06
assign (resid 159 and name HB2) (resid 159 and name HD1) 2.191 0.600 0.600 weight 1.000 ! spec=HCHaro, no=956, id=10098, vol=6.160000e+07
    or (resid 159 and name HD1) (resid 159 and name HB1)
assign (resid 159 and name HD1) (resid 158 and name HB1) 3.702 1.714 1.714 weight 1.000 ! spec=HCHaro, no=958, id=10099, vol=2.640000e+06
assign (resid 157 and name HG22) (resid 159 and name HD1) 3.128 1.223 1.223 weight 1.000 ! spec=HCHaro, no=960, id=10101, vol=7.260000e+06
    or (resid 157 and name HG21) (resid 159 and name HD1)
    or (resid 157 and name HG23) (resid 159 and name HD1)
assign (resid 159 and name HN) (resid 159 and name HD1) 2.849 1.015 1.015 weight 1.000 ! spec=HCHaro, no=961, id=10102, vol=1.270000e+07
assign (resid 159 and name HD1) (resid 159 and name HA) 2.667 0.889 0.889 weight 1.000 ! spec=HCHaro, no=962, id=10103, vol=1.890000e+07
assign (resid 160 and name HN) (resid 159 and name HD1) 3.221 1.296 1.296 weight 1.000 ! spec=HCHaro, no=965, id=10105, vol=6.100000e+06
assign (resid 159 and name HE1) (resid 157 and name HB) 3.331 1.387 1.387 weight 1.000 ! spec=HCHaro, no=967, id=10107, vol=4.980000e+06
assign (resid 157 and name HG22) (resid 159 and name HE1) 3.271 1.337 1.337 weight 1.000 ! spec=HCHaro, no=968, id=10108, vol=5.560000e+06
    or (resid 157 and name HG21) (resid 159 and name HE1)
    or (resid 157 and name HG23) (resid 159 and name HE1)
assign (resid 159 and name HB2) (resid 159 and name HE1) 2.992 1.119 1.119 weight 1.000 ! spec=HCHaro, no=969, id=10109, vol=9.480000e+06
    or (resid 159 and name HE1) (resid 159 and name HB1)
assign (resid 24 and name HN) (resid 26 and name HN) 3.826 1.830 1.830 weight 1.000 ! spec=HNH, no=5, id=2, vol=6.900000e+06
assign (resid 24 and name HN) (resid 23 and name HA) 2.516 0.791 0.791 weight 1.000 ! spec=HNH, no=8, id=5, vol=8.540000e+07
assign (resid 24 and name HN) (resid 23 and name HB1) 3.042 1.157 1.157 weight 1.000 ! spec=HNH, no=9, id=6, vol=2.730000e+07
assign (resid 24 and name HN) (resid 24 and name HA) 3.007 1.130 1.130 weight 1.000 ! spec=HNH, no=11, id=7, vol=2.930000e+07
assign (resid 24 and name HN) (resid 24 and name HB1) 2.624 0.861 0.861 weight 1.000 ! spec=HNH, no=12, id=8, vol=6.640000e+07
assign (resid 24 and name HN) (resid 25 and name HD1) 3.549 1.574 1.574 weight 1.000 ! spec=HNH, no=13, id=9, vol=1.080000e+07
assign (resid 24 and name HN) (resid 29 and name HB2) 3.754 1.762 1.762 weight 1.000 ! spec=HNH, no=14, id=10, vol=7.740000e+06
assign (resid 24 and name HN) (resid 31 and name HB2) 3.636 1.653 1.653 weight 1.000 ! spec=HNH, no=15, id=11, vol=9.370000e+06
assign (resid 24 and name HN) (resid 157 and name HD12) 3.646 1.662 1.662 weight 1.000 ! spec=HNH, no=20, id=16, vol=9.220000e+06
    or (resid 24 and name HN) (resid 157 and name HD11)
    or (resid 24 and name HN) (resid 157 and name HD13)
assign (resid 26 and name HN) (resid 24 and name HA) 3.733 1.741 1.741 weight 1.000 ! spec=HNH, no=23, id=19, vol=8.010000e+06
assign (resid 26 and name HN) (resid 26 and name HB1) 3.599 1.619 1.619 weight 1.000 ! spec=HNH, no=25, id=21, vol=9.970000e+06
assign (resid 26 and name HN) (resid 24 and name HB1) 3.036 1.152 1.152 weight 1.000 ! spec=HNH, no=26, id=22, vol=2.760000e+07
assign (resid 26 and name HN) (resid 25 and name HA) 3.318 1.376 1.376 weight 1.000 ! spec=HNH, no=28, id=24, vol=1.620000e+07
assign (resid 26 and name HN) (resid 25 and name HB2) 3.134 1.228 1.228 weight 1.000 ! spec=HNH, no=29, id=25, vol=2.290000e+07
assign (resid 26 and name HN) (resid 25 and name HB1) 3.423 1.464 1.464 weight 1.000 ! spec=HNH, no=30, id=26, vol=1.350000e+07
assign (resid 26 and name HN) (resid 25 and name HD2) 3.303 1.364 1.364 weight 1.000 ! spec=HNH, no=31, id=27, vol=1.670000e+07
assign (resid 26 and name HN) (resid 25 and name HD1) 3.380 1.428 1.428 weight 1.000 ! spec=HNH, no=32, id=28, vol=1.450000e+07
assign (resid 26 and name HN) (resid 25 and name HG2) 3.663 1.678 1.678 weight 1.000 ! spec=HNH, no=33, id=29, vol=8.960000e+06
assign (resid 26 and name HN) (resid 26 and name HA) 2.896 1.048 1.048 weight 1.000 ! spec=HNH, no=35, id=30, vol=3.670000e+07
assign (resid 26 and name HN) (resid 26 and name HB2) 3.361 1.412 1.412 weight 1.000 ! spec=HNH, no=36, id=31, vol=1.500000e+07
assign (resid 26 and name HN) (resid 29 and name HN) 3.427 1.468 1.468 weight 1.000 ! spec=HNH, no=37, id=32, vol=1.340000e+07
assign (resid 26 and name HN) (resid 29 and name HD1) 2.746 0.943 0.943 weight 1.000 ! spec=HNH, no=38, id=33, vol=5.050000e+07
assign (resid 26 and name HN) (resid 29 and name HB2) 3.211 1.289 1.289 weight 1.000 ! spec=HNH, no=40, id=35, vol=1.980000e+07
assign (resid 28 and name HN) (resid 27 and name HA) 3.809 1.813 1.813 weight 1.000 ! spec=HNH, no=43, id=38, vol=7.090000e+06
assign (resid 28 and name HN) (resid 28 and name HA) 3.364 1.415 1.415 weight 1.000 ! spec=HNH, no=45, id=40, vol=1.490000e+07
assign (resid 28 and name HN) (resid 28 and name HG21) 3.744 1.752 1.752 weight 1.000 ! spec=HNH, no=47, id=42, vol=7.860000e+06
    or (resid 28 and name HN) (resid 28 and name HG22)
    or (resid 28 and name HN) (resid 28 and name HG23)
assign (resid 28 and name HN) (resid 28 and name HB) 3.307 1.367 1.367 weight 1.000 ! spec=HNH, no=48, id=43, vol=1.660000e+07
assign (resid 28 and name HN) (resid 29 and name HN) 3.441 1.480 1.480 weight 1.000 ! spec=HNH, no=49, id=44, vol=1.310000e+07
assign (resid 29 and name HN) (resid 29 and name HE3) 3.838 1.842 1.842 weight 1.000 ! spec=HNH, no=54, id=49, vol=6.770000e+06
assign (resid 29 and name HN) (resid 27 and name HA) 3.442 1.481 1.481 weight 1.000 ! spec=HNH, no=57, id=52, vol=1.300000e+07
assign (resid 29 and name HN) (resid 24 and name HB2) 3.418 1.460 1.460 weight 1.000 ! spec=HNH, no=62, id=57, vol=1.360000e+07
assign (resid 29 and name HN) (resid 24 and name HB1) 3.374 1.423 1.423 weight 1.000 ! spec=HNH, no=63, id=58, vol=1.470000e+07
assign (resid 29 and name HN) (resid 29 and name HA) 3.028 1.146 1.146 weight 1.000 ! spec=HNH, no=68, id=62, vol=2.810000e+07
assign (resid 29 and name HN) (resid 29 and name HE1) 3.830 1.834 1.834 weight 1.000 ! spec=HNH, no=69, id=63, vol=6.860000e+06
assign (resid 29 and name HN) (resid 29 and name HB2) 2.680 0.898 0.898 weight 1.000 ! spec=HNH, no=70, id=64, vol=5.850000e+07
assign (resid 29 and name HN) (resid 30 and name HN) 3.681 1.694 1.694 weight 1.000 ! spec=HNH, no=71, id=65, vol=8.710000e+06
assign (resid 29 and name HN) (resid 37 and name HN) 4.226 2.232 2.232 weight 1.000 ! spec=HNH, no=73, id=67, vol=3.800000e+06
assign (resid 29 and name HN) (resid 38 and name HD12) 3.697 1.708 1.708 weight 1.000 ! spec=HNH, no=75, id=69, vol=8.490000e+06
    or (resid 29 and name HN) (resid 38 and name HD11)
    or (resid 29 and name HN) (resid 38 and name HD13)
assign (resid 29 and name HE1) (resid 26 and name HB1) 4.127 2.129 2.129 weight 1.000 ! spec=HNH, no=80, id=74, vol=4.390000e+06
assign (resid 29 and name HE1) (resid 29 and name HE3) 4.308 2.320 2.320 weight 1.000 ! spec=HNH, no=84, id=78, vol=3.390000e+06
assign (resid 29 and name HE1) (resid 26 and name HA) 3.853 1.856 1.856 weight 1.000 ! spec=HNH, no=85, id=79, vol=6.620000e+06
assign (resid 29 and name HE1) (resid 25 and name HD2) 3.849 1.852 1.852 weight 1.000 ! spec=HNH, no=86, id=80, vol=6.660000e+06
assign (resid 29 and name HE1) (resid 25 and name HB2) 3.045 1.159 1.159 weight 1.000 ! spec=HNH, no=87, id=81, vol=2.720000e+07
assign (resid 29 and name HE1) (resid 25 and name HB1) 3.341 1.395 1.395 weight 1.000 ! spec=HNH, no=88, id=82, vol=1.560000e+07
assign (resid 29 and name HE1) (resid 25 and name HD1) 4.306 2.318 2.318 weight 1.000 ! spec=HNH, no=89, id=83, vol=3.400000e+06
assign (resid 29 and name HE1) (resid 25 and name HG2) 3.469 1.504 1.504 weight 1.000 ! spec=HNH, no=90, id=84, vol=1.240000e+07
assign (resid 26 and name HN) (resid 29 and name HE1) 3.556 1.580 1.580 weight 1.000 ! spec=HNH, no=92, id=86, vol=1.070000e+07
assign (resid 29 and name HE1) (resid 29 and name HZ3) 3.953 1.953 1.953 weight 1.000 ! spec=HNH, no=96, id=89, vol=5.680000e+06
assign (resid 29 and name HE1) (resid 29 and name HB2) 4.007 2.007 2.007 weight 1.000 ! spec=HNH, no=97, id=90, vol=5.240000e+06
assign (resid 29 and name HE1) (resid 38 and name HG12) 4.106 2.107 2.107 weight 1.000 ! spec=HNH, no=98, id=91, vol=4.520000e+06
assign (resid 29 and name HE1) (resid 38 and name HD12) 2.956 1.092 1.092 weight 1.000 ! spec=HNH, no=99, id=92, vol=3.250000e+07
    or (resid 29 and name HE1) (resid 38 and name HD11)
    or (resid 29 and name HE1) (resid 38 and name HD13)
assign (resid 29 and name HE1) (resid 38 and name HG22) 3.790 1.795 1.795 weight 1.000 ! spec=HNH, no=100, id=93, vol=7.310000e+06
    or (resid 29 and name HE1) (resid 38 and name HG21)
    or (resid 29 and name HE1) (resid 38 and name HG23)
assign (resid 29 and name HE1) (resid 40 and name HD12) 4.235 2.242 2.242 weight 1.000 ! spec=HNH, no=101, id=94, vol=3.750000e+06
    or (resid 29 and name HE1) (resid 40 and name HD11)
    or (resid 29 and name HE1) (resid 40 and name HD13)
assign (resid 29 and name HE1) (resid 59 and name HB2) 4.094 2.095 2.095 weight 1.000 ! spec=HNH, no=102, id=95, vol=4.600000e+06
assign (resid 30 and name HN) (resid 37 and name HB2) 3.667 1.680 1.680 weight 1.000 ! spec=HNH, no=103, id=96, vol=8.920000e+06
assign (resid 30 and name HN) (resid 152 and name HD12) 3.660 1.675 1.675 weight 1.000 ! spec=HNH, no=104, id=97, vol=9.010000e+06
    or (resid 30 and name HN) (resid 152 and name HD11)
    or (resid 30 and name HN) (resid 152 and name HD13)
assign (resid 30 and name HN) (resid 30 and name HG12) 3.387 1.434 1.434 weight 1.000 ! spec=HNH, no=105, id=98, vol=1.440000e+07
assign (resid 30 and name HN) (resid 30 and name HB) 2.897 1.049 1.049 weight 1.000 ! spec=HNH, no=108, id=101, vol=3.660000e+07
assign (resid 30 and name HN) (resid 29 and name HB2) 2.941 1.082 1.082 weight 1.000 ! spec=HNH, no=112, id=105, vol=3.340000e+07
    or (resid 30 and name HN) (resid 29 and name HB1)
assign (resid 30 and name HN) (resid 24 and name HB1) 3.941 1.941 1.941 weight 1.000 ! spec=HNH, no=117, id=110, vol=5.780000e+06
assign (resid 30 and name HN) (resid 29 and name HD1) 4.266 2.274 2.274 weight 1.000 ! spec=HNH, no=118, id=111, vol=3.600000e+06
assign (resid 30 and name HN) (resid 29 and name HE3) 3.736 1.744 1.744 weight 1.000 ! spec=HNH, no=119, id=112, vol=7.970000e+06
assign (resid 30 and name HN) (resid 30 and name HA) 3.215 1.292 1.292 weight 1.000 ! spec=HNH, no=121, id=113, vol=1.960000e+07
assign (resid 30 and name HN) (resid 36 and name HA) 3.856 1.858 1.858 weight 1.000 ! spec=HNH, no=124, id=116, vol=6.590000e+06
assign (resid 30 and name HN) (resid 37 and name HN) 3.038 1.154 1.154 weight 1.000 ! spec=HNH, no=125, id=117, vol=2.760000e+07
assign (resid 30 and name HN) (resid 38 and name HA) 3.783 1.789 1.789 weight 1.000 ! spec=HNH, no=126, id=118, vol=7.390000e+06
assign (resid 30 and name HN) (resid 38 and name HB) 3.937 1.937 1.937 weight 1.000 ! spec=HNH, no=127, id=119, vol=5.820000e+06
assign (resid 30 and name HN) (resid 38 and name HG22) 4.297 2.308 2.308 weight 1.000 ! spec=HNH, no=129, id=121, vol=3.440000e+06
    or (resid 30 and name HN) (resid 38 and name HG21)
    or (resid 30 and name HN) (resid 38 and name HG23)
assign (resid 30 and name HN) (resid 78 and name HG21) 4.145 2.148 2.148 weight 1.000 ! spec=HNH, no=130, id=122, vol=4.270000e+06
    or (resid 30 and name HN) (resid 78 and name HG22)
    or (resid 30 and name HN) (resid 78 and name HG23)
assign (resid 31 and name HN) (resid 30 and name HG11) 3.527 1.555 1.555 weight 1.000 ! spec=HNH, no=141, id=132, vol=1.130000e+07
assign (resid 30 and name HN) (resid 31 and name HN) 3.524 1.553 1.553 weight 1.000 ! spec=HNH, no=145, id=136, vol=1.130000e+07
assign (resid 31 and name HN) (resid 30 and name HA) 2.250 0.633 0.633 weight 1.000 ! spec=HNH, no=146, id=137, vol=1.670000e+08
assign (resid 31 and name HN) (resid 30 and name HG12) 3.370 1.420 1.420 weight 1.000 ! spec=HNH, no=147, id=138, vol=1.480000e+07
assign (resid 31 and name HN) (resid 31 and name HA) 2.950 1.088 1.088 weight 1.000 ! spec=HNH, no=151, id=141, vol=3.290000e+07
assign (resid 31 and name HN) (resid 31 and name HB2) 2.362 0.697 0.697 weight 1.000 ! spec=HNH, no=152, id=142, vol=1.250000e+08
assign (resid 31 and name HN) (resid 32 and name HN) 3.182 1.266 1.266 weight 1.000 ! spec=HNH, no=153, id=143, vol=2.090000e+07
assign (resid 31 and name HN) (resid 36 and name HA) 4.108 2.109 2.109 weight 1.000 ! spec=HNH, no=154, id=144, vol=4.510000e+06
assign (resid 31 and name HN) (resid 37 and name HD1) 4.222 2.228 2.228 weight 1.000 ! spec=HNH, no=156, id=146, vol=3.830000e+06
assign (resid 31 and name HE21) (resid 33 and name HN) 4.084 2.085 2.085 weight 1.000 ! spec=HNH, no=158, id=148, vol=4.670000e+06
assign (resid 31 and name HE21) (resid 32 and name HN) 4.038 2.038 2.038 weight 1.000 ! spec=HNH, no=159, id=149, vol=5.000000e+06
assign (resid 31 and name HE21) (resid 34 and name HA) 3.312 1.371 1.371 weight 1.000 ! spec=HNH, no=161, id=151, vol=1.640000e+07
assign (resid 31 and name HE22) (resid 35 and name HN) 4.323 2.336 2.336 weight 1.000 ! spec=HNH, no=172, id=161, vol=3.320000e+06
assign (resid 31 and name HE22) (resid 23 and name HB1) 3.714 1.724 1.724 weight 1.000 ! spec=HNH, no=173, id=162, vol=8.260000e+06
assign (resid 31 and name HN) (resid 31 and name HE21) 4.234 2.241 2.241 weight 1.000 ! spec=HNH, no=174, id=163, vol=3.760000e+06
assign (resid 31 and name HE21) (resid 31 and name HA) 4.049 2.049 2.049 weight 1.000 ! spec=HNH, no=175, id=164, vol=4.920000e+06
assign (resid 31 and name HE22) (resid 31 and name HA) 4.589 2.632 2.632 weight 1.000 ! spec=HNH, no=176, id=165, vol=2.320000e+06
assign (resid 31 and name HE21) (resid 31 and name HG2) 2.792 0.974 0.974 weight 1.000 ! spec=HNH, no=179, id=166, vol=4.580000e+07
assign (resid 31 and name HE22) (resid 31 and name HG2) 3.105 1.205 1.205 weight 1.000 ! spec=HNH, no=180, id=167, vol=2.420000e+07
assign (resid 31 and name HE21) (resid 31 and name HG1) 2.942 1.082 1.082 weight 1.000 ! spec=HNH, no=181, id=168, vol=3.340000e+07
assign (resid 31 and name HE22) (resid 31 and name HG1) 3.055 1.167 1.167 weight 1.000 ! spec=HNH, no=182, id=169, vol=2.670000e+07
assign (resid 31 and name HE21) (resid 31 and name HB2) 2.967 1.100 1.100 weight 1.000 ! spec=HNH, no=183, id=170, vol=3.180000e+07
assign (resid 31 and name HE22) (resid 31 and name HB2) 3.432 1.472 1.472 weight 1.000 ! spec=HNH, no=184, id=171, vol=1.330000e+07
assign (resid 31 and name HE21) (resid 157 and name HG12) 3.907 1.908 1.908 weight 1.000 ! spec=HNH, no=186, id=173, vol=6.090000e+06
assign (resid 31 and name HE22) (resid 157 and name HG12) 4.108 2.109 2.109 weight 1.000 ! spec=HNH, no=187, id=174, vol=4.510000e+06
assign (resid 31 and name HE21) (resid 157 and name HD12) 2.800 0.980 0.980 weight 1.000 ! spec=HNH, no=188, id=175, vol=4.490000e+07
    or (resid 31 and name HE21) (resid 157 and name HD11)
    or (resid 31 and name HE21) (resid 157 and name HD13)
assign (resid 31 and name HE22) (resid 157 and name HD12) 3.055 1.167 1.167 weight 1.000 ! spec=HNH, no=189, id=176, vol=2.660000e+07
    or (resid 31 and name HE22) (resid 157 and name HD11)
    or (resid 31 and name HE22) (resid 157 and name HD13)
assign (resid 32 and name HN) (resid 74 and name HZ) 4.231 2.237 2.237 weight 1.000 ! spec=HNH, no=190, id=177, vol=3.780000e+06
assign (resid 32 and name HN) (resid 35 and name HB1) 3.897 1.898 1.898 weight 1.000 ! spec=HNH, no=193, id=178, vol=6.190000e+06
assign (resid 32 and name HN) (resid 32 and name HD1) 3.654 1.669 1.669 weight 1.000 ! spec=HNH, no=198, id=183, vol=9.100000e+06
    or (resid 32 and name HN) (resid 32 and name HD2)
assign (resid 32 and name HN) (resid 33 and name HB2) 3.814 1.818 1.818 weight 1.000 ! spec=HNH, no=203, id=186, vol=7.040000e+06
    or (resid 32 and name HN) (resid 33 and name HB1)
assign (resid 32 and name HN) (resid 33 and name HG1) 4.229 2.236 2.236 weight 1.000 ! spec=HNH, no=204, id=187, vol=3.790000e+06
assign (resid 32 and name HN) (resid 35 and name HA) 3.724 1.733 1.733 weight 1.000 ! spec=HNH, no=212, id=194, vol=8.120000e+06
assign (resid 32 and name HN) (resid 31 and name HA) 2.343 0.686 0.686 weight 1.000 ! spec=HNH, no=218, id=200, vol=1.310000e+08
assign (resid 32 and name HN) (resid 31 and name HG1) 2.883 1.039 1.039 weight 1.000 ! spec=HNH, no=219, id=201, vol=3.770000e+07
assign (resid 32 and name HN) (resid 32 and name HB2) 3.207 1.286 1.286 weight 1.000 ! spec=HNH, no=222, id=203, vol=1.990000e+07
assign (resid 32 and name HN) (resid 32 and name HB1) 2.673 0.893 0.893 weight 1.000 ! spec=HNH, no=223, id=204, vol=5.930000e+07
assign (resid 32 and name HN) (resid 36 and name HA) 3.210 1.288 1.288 weight 1.000 ! spec=HNH, no=226, id=207, vol=1.980000e+07
assign (resid 32 and name HN) (resid 37 and name HN) 3.792 1.798 1.798 weight 1.000 ! spec=HNH, no=227, id=208, vol=7.280000e+06
assign (resid 32 and name HN) (resid 37 and name HD1) 3.163 1.251 1.251 weight 1.000 ! spec=HNH, no=228, id=209, vol=2.160000e+07
assign (resid 32 and name HN) (resid 37 and name HE1) 2.937 1.078 1.078 weight 1.000 ! spec=HNH, no=229, id=210, vol=3.370000e+07
assign (resid 33 and name HN) (resid 32 and name HB2) 3.174 1.259 1.259 weight 1.000 ! spec=HNH, no=234, id=215, vol=2.120000e+07
assign (resid 32 and name HN) (resid 33 and name HN) 3.467 1.503 1.503 weight 1.000 ! spec=HNH, no=236, id=217, vol=1.250000e+07
assign (resid 33 and name HN) (resid 33 and name HB2) 2.884 1.039 1.039 weight 1.000 ! spec=HNH, no=240, id=221, vol=3.770000e+07
    or (resid 33 and name HN) (resid 33 and name HB1)
assign (resid 33 and name HN) (resid 33 and name HE22) 4.224 2.230 2.230 weight 1.000 ! spec=HNH, no=245, id=226, vol=3.810000e+06
assign (resid 33 and name HN) (resid 32 and name HA) 2.378 0.707 0.707 weight 1.000 ! spec=HNH, no=246, id=227, vol=1.200000e+08
assign (resid 33 and name HN) (resid 33 and name HA) 2.317 0.671 0.671 weight 1.000 ! spec=HNH, no=249, id=229, vol=1.400000e+08
assign (resid 33 and name HN) (resid 33 and name HG2) 2.882 1.038 1.038 weight 1.000 ! spec=HNH, no=251, id=231, vol=3.780000e+07
assign (resid 33 and name HN) (resid 33 and name HG1) 2.927 1.071 1.071 weight 1.000 ! spec=HNH, no=252, id=232, vol=3.440000e+07
assign (resid 33 and name HE21) (resid 71 and name HN) 4.042 2.042 2.042 weight 1.000 ! spec=HNH, no=254, id=234, vol=4.970000e+06
assign (resid 33 and name HE21) (resid 70 and name HB1) 3.274 1.340 1.340 weight 1.000 ! spec=HNH, no=259, id=239, vol=1.760000e+07
assign (resid 33 and name HE21) (resid 70 and name HG1) 3.783 1.789 1.789 weight 1.000 ! spec=HNH, no=260, id=240, vol=7.390000e+06
assign (resid 33 and name HE21) (resid 33 and name HB2) 3.229 1.303 1.303 weight 1.000 ! spec=HNH, no=264, id=244, vol=1.910000e+07
    or (resid 33 and name HE21) (resid 33 and name HB1)
assign (resid 33 and name HE22) (resid 70 and name HG1) 3.648 1.664 1.664 weight 1.000 ! spec=HNH, no=266, id=246, vol=9.190000e+06
assign (resid 33 and name HE22) (resid 70 and name HB1) 3.184 1.267 1.267 weight 1.000 ! spec=HNH, no=267, id=247, vol=2.080000e+07
assign (resid 33 and name HE22) (resid 70 and name HB2) 3.407 1.451 1.451 weight 1.000 ! spec=HNH, no=268, id=248, vol=1.380000e+07
assign (resid 33 and name HE22) (resid 33 and name HB2) 3.489 1.522 1.522 weight 1.000 ! spec=HNH, no=270, id=250, vol=1.200000e+07
    or (resid 33 and name HE22) (resid 33 and name HB1)
assign (resid 33 and name HE22) (resid 71 and name HN) 3.657 1.672 1.672 weight 1.000 ! spec=HNH, no=272, id=252, vol=9.050000e+06
assign (resid 33 and name HE22) (resid 70 and name HN) 3.768 1.775 1.775 weight 1.000 ! spec=HNH, no=273, id=253, vol=7.570000e+06
assign (resid 33 and name HN) (resid 33 and name HE21) 3.735 1.744 1.744 weight 1.000 ! spec=HNH, no=276, id=256, vol=7.980000e+06
assign (resid 33 and name HE21) (resid 33 and name HE22) 1.739 0.378 0.378 weight 1.000 ! spec=HNH, no=278, id=257, vol=7.820000e+08
assign (resid 33 and name HE21) (resid 33 and name HG2) 2.845 1.012 1.012 weight 1.000 ! spec=HNH, no=280, id=258, vol=4.080000e+07
assign (resid 33 and name HE22) (resid 33 and name HG2) 3.131 1.225 1.225 weight 1.000 ! spec=HNH, no=281, id=259, vol=2.300000e+07
assign (resid 33 and name HE21) (resid 33 and name HG1) 2.791 0.973 0.973 weight 1.000 ! spec=HNH, no=282, id=260, vol=4.590000e+07
assign (resid 33 and name HE22) (resid 33 and name HG1) 3.075 1.182 1.182 weight 1.000 ! spec=HNH, no=283, id=261, vol=2.560000e+07
assign (resid 33 and name HE21) (resid 71 and name HA) 4.253 2.261 2.261 weight 1.000 ! spec=HNH, no=284, id=262, vol=3.660000e+06
assign (resid 33 and name HE22) (resid 71 and name HA) 4.399 2.419 2.419 weight 1.000 ! spec=HNH, no=285, id=263, vol=2.990000e+06
assign (resid 35 and name HN) (resid 33 and name HN) 3.832 1.836 1.836 weight 1.000 ! spec=HNH, no=289, id=267, vol=6.840000e+06
assign (resid 35 and name HN) (resid 157 and name HN) 3.750 1.758 1.758 weight 1.000 ! spec=HNH, no=291, id=269, vol=7.790000e+06
assign (resid 35 and name HN) (resid 32 and name HA) 3.788 1.794 1.794 weight 1.000 ! spec=HNH, no=295, id=273, vol=7.330000e+06
assign (resid 35 and name HN) (resid 37 and name HE1) 3.446 1.485 1.485 weight 1.000 ! spec=HNH, no=297, id=275, vol=1.290000e+07
    or (resid 35 and name HN) (resid 37 and name HE2)
assign (resid 35 and name HN) (resid 32 and name HB1) 3.744 1.752 1.752 weight 1.000 ! spec=HNH, no=298, id=276, vol=7.870000e+06
assign (resid 35 and name HN) (resid 32 and name HD1) 4.049 2.049 2.049 weight 1.000 ! spec=HNH, no=300, id=278, vol=4.920000e+06
    or (resid 35 and name HN) (resid 32 and name HD2)
assign (resid 35 and name HN) (resid 33 and name HB2) 3.108 1.208 1.208 weight 1.000 ! spec=HNH, no=302, id=280, vol=2.400000e+07
    or (resid 35 and name HN) (resid 33 and name HB1)
assign (resid 31 and name HE21) (resid 35 and name HN) 3.642 1.658 1.658 weight 1.000 ! spec=HNH, no=304, id=282, vol=9.290000e+06
assign (resid 35 and name HN) (resid 31 and name HA) 3.817 1.821 1.821 weight 1.000 ! spec=HNH, no=306, id=284, vol=7.010000e+06
assign (resid 32 and name HN) (resid 35 and name HN) 2.995 1.121 1.121 weight 1.000 ! spec=HNH, no=307, id=285, vol=3.000000e+07
assign (resid 35 and name HN) (resid 34 and name HA) 2.783 0.968 0.968 weight 1.000 ! spec=HNH, no=308, id=286, vol=4.660000e+07
assign (resid 35 and name HN) (resid 34 and name HB2) 3.264 1.332 1.332 weight 1.000 ! spec=HNH, no=309, id=287, vol=1.790000e+07
assign (resid 35 and name HN) (resid 35 and name HA) 2.970 1.102 1.102 weight 1.000 ! spec=HNH, no=311, id=288, vol=3.160000e+07
assign (resid 35 and name HN) (resid 35 and name HB1) 2.886 1.041 1.041 weight 1.000 ! spec=HNH, no=313, id=290, vol=3.750000e+07
assign (resid 35 and name HN) (resid 36 and name HA) 4.451 2.476 2.476 weight 1.000 ! spec=HNH, no=315, id=292, vol=2.790000e+06
assign (resid 35 and name HN) (resid 154 and name HG1) 4.100 2.102 2.102 weight 1.000 ! spec=HNH, no=317, id=294, vol=4.560000e+06
assign (resid 35 and name HN) (resid 157 and name HG12) 4.020 2.020 2.020 weight 1.000 ! spec=HNH, no=318, id=295, vol=5.130000e+06
assign (resid 35 and name HN) (resid 157 and name HG11) 3.686 1.698 1.698 weight 1.000 ! spec=HNH, no=319, id=296, vol=8.640000e+06
assign (resid 35 and name HN) (resid 36 and name HN) 3.969 1.969 1.969 weight 1.000 ! spec=HNH, no=322, id=299, vol=5.540000e+06
assign (resid 36 and name HN) (resid 154 and name HG1) 3.745 1.753 1.753 weight 1.000 ! spec=HNH, no=325, id=302, vol=7.850000e+06
assign (resid 36 and name HN) (resid 31 and name HG1) 4.237 2.244 2.244 weight 1.000 ! spec=HNH, no=337, id=314, vol=3.750000e+06
assign (resid 36 and name HN) (resid 31 and name HB2) 4.233 2.240 2.240 weight 1.000 ! spec=HNH, no=338, id=315, vol=3.770000e+06
assign (resid 36 and name HN) (resid 35 and name HA) 2.555 0.816 0.816 weight 1.000 ! spec=HNH, no=339, id=316, vol=7.790000e+07
assign (resid 36 and name HN) (resid 35 and name HB1) 3.160 1.248 1.248 weight 1.000 ! spec=HNH, no=341, id=318, vol=2.180000e+07
assign (resid 36 and name HN) (resid 36 and name HB2) 2.929 1.073 1.073 weight 1.000 ! spec=HNH, no=344, id=320, vol=3.430000e+07
assign (resid 36 and name HN) (resid 36 and name HB1) 3.084 1.189 1.189 weight 1.000 ! spec=HNH, no=345, id=321, vol=2.520000e+07
assign (resid 36 and name HN) (resid 37 and name HA) 3.976 1.976 1.976 weight 1.000 ! spec=HNH, no=347, id=323, vol=5.480000e+06
assign (resid 36 and name HN) (resid 37 and name HD1) 4.352 2.367 2.367 weight 1.000 ! spec=HNH, no=348, id=324, vol=3.190000e+06
assign (resid 36 and name HN) (resid 155 and name HG21) 2.995 1.121 1.121 weight 1.000 ! spec=HNH, no=350, id=326, vol=3.000000e+07
    or (resid 36 and name HN) (resid 155 and name HG22)
    or (resid 36 and name HN) (resid 155 and name HG23)
assign (resid 36 and name HN) (resid 156 and name HN) 4.112 2.114 2.114 weight 1.000 ! spec=HNH, no=351, id=327, vol=4.480000e+06
assign (resid 36 and name HN) (resid 156 and name HA) 3.248 1.319 1.319 weight 1.000 ! spec=HNH, no=352, id=328, vol=1.840000e+07
assign (resid 37 and name HN) (resid 37 and name HB2) 3.139 1.231 1.231 weight 1.000 ! spec=HNH, no=356, id=331, vol=2.270000e+07
assign (resid 31 and name HN) (resid 37 and name HN) 4.228 2.235 2.235 weight 1.000 ! spec=HNH, no=362, id=335, vol=3.790000e+06
assign (resid 37 and name HN) (resid 38 and name HA) 4.344 2.359 2.359 weight 1.000 ! spec=HNH, no=367, id=339, vol=3.220000e+06
assign (resid 37 and name HN) (resid 38 and name HB) 4.211 2.217 2.217 weight 1.000 ! spec=HNH, no=368, id=340, vol=3.880000e+06
assign (resid 37 and name HN) (resid 29 and name HE3) 3.340 1.394 1.394 weight 1.000 ! spec=HNH, no=372, id=344, vol=1.560000e+07
assign (resid 37 and name HN) (resid 30 and name HA) 4.222 2.228 2.228 weight 1.000 ! spec=HNH, no=374, id=346, vol=3.830000e+06
assign (resid 37 and name HN) (resid 30 and name HB) 3.645 1.661 1.661 weight 1.000 ! spec=HNH, no=375, id=347, vol=9.230000e+06
assign (resid 37 and name HN) (resid 30 and name HG12) 4.104 2.106 2.106 weight 1.000 ! spec=HNH, no=376, id=348, vol=4.530000e+06
assign (resid 37 and name HN) (resid 30 and name HD12) 3.656 1.671 1.671 weight 1.000 ! spec=HNH, no=377, id=349, vol=9.070000e+06
    or (resid 37 and name HN) (resid 30 and name HD11)
    or (resid 37 and name HN) (resid 30 and name HD13)
assign (resid 37 and name HN) (resid 31 and name HA) 3.487 1.520 1.520 weight 1.000 ! spec=HNH, no=379, id=351, vol=1.210000e+07
assign (resid 36 and name HN) (resid 37 and name HN) 3.715 1.726 1.726 weight 1.000 ! spec=HNH, no=380, id=352, vol=8.230000e+06
assign (resid 37 and name HN) (resid 36 and name HA) 2.595 0.842 0.842 weight 1.000 ! spec=HNH, no=381, id=353, vol=7.100000e+07
assign (resid 37 and name HN) (resid 36 and name HB2) 3.458 1.495 1.495 weight 1.000 ! spec=HNH, no=382, id=354, vol=1.270000e+07
assign (resid 37 and name HN) (resid 37 and name HB1) 2.959 1.094 1.094 weight 1.000 ! spec=HNH, no=384, id=355, vol=3.230000e+07
assign (resid 37 and name HN) (resid 154 and name HB2) 4.413 2.435 2.435 weight 1.000 ! spec=HNH, no=389, id=360, vol=2.930000e+06
assign (resid 38 and name HN) (resid 37 and name HD1) 3.413 1.456 1.456 weight 1.000 ! spec=HNH, no=391, id=362, vol=1.370000e+07
    or (resid 38 and name HN) (resid 37 and name HD2)
assign (resid 38 and name HN) (resid 40 and name HD12) 3.845 1.848 1.848 weight 1.000 ! spec=HNH, no=397, id=368, vol=6.700000e+06
    or (resid 38 and name HN) (resid 40 and name HD11)
    or (resid 38 and name HN) (resid 40 and name HD13)
assign (resid 38 and name HN) (resid 29 and name HZ3) 3.818 1.822 1.822 weight 1.000 ! spec=HNH, no=398, id=369, vol=7.000000e+06
assign (resid 37 and name HN) (resid 38 and name HN) 3.863 1.866 1.866 weight 1.000 ! spec=HNH, no=399, id=370, vol=6.520000e+06
assign (resid 38 and name HN) (resid 37 and name HA) 2.466 0.760 0.760 weight 1.000 ! spec=HNH, no=400, id=371, vol=9.630000e+07
assign (resid 38 and name HN) (resid 37 and name HB2) 3.080 1.186 1.186 weight 1.000 ! spec=HNH, no=401, id=372, vol=2.540000e+07
assign (resid 38 and name HN) (resid 37 and name HB1) 3.274 1.340 1.340 weight 1.000 ! spec=HNH, no=402, id=373, vol=1.760000e+07
assign (resid 38 and name HN) (resid 38 and name HB) 3.205 1.284 1.284 weight 1.000 ! spec=HNH, no=404, id=374, vol=2.000000e+07
assign (resid 38 and name HN) (resid 38 and name HG22) 2.655 0.881 0.881 weight 1.000 ! spec=HNH, no=405, id=375, vol=6.190000e+07
    or (resid 38 and name HN) (resid 38 and name HG21)
    or (resid 38 and name HN) (resid 38 and name HG23)
assign (resid 38 and name HN) (resid 152 and name HA) 3.560 1.584 1.584 weight 1.000 ! spec=HNH, no=406, id=376, vol=1.060000e+07
assign (resid 38 and name HN) (resid 153 and name HN) 2.795 0.977 0.977 weight 1.000 ! spec=HNH, no=409, id=379, vol=4.540000e+07
assign (resid 38 and name HN) (resid 153 and name HB2) 3.432 1.472 1.472 weight 1.000 ! spec=HNH, no=410, id=380, vol=1.330000e+07
assign (resid 38 and name HN) (resid 154 and name HA) 3.207 1.286 1.286 weight 1.000 ! spec=HNH, no=411, id=381, vol=1.990000e+07
assign (resid 39 and name HN) (resid 152 and name HB2) 4.065 2.066 2.066 weight 1.000 ! spec=HNH, no=422, id=391, vol=4.800000e+06
assign (resid 40 and name HN) (resid 38 and name HG22) 3.668 1.682 1.682 weight 1.000 ! spec=HNH, no=427, id=395, vol=8.890000e+06
    or (resid 40 and name HN) (resid 38 and name HG21)
    or (resid 40 and name HN) (resid 38 and name HG23)
assign (resid 40 and name HN) (resid 40 and name HA) 2.917 1.064 1.064 weight 1.000 ! spec=HNH, no=435, id=402, vol=3.510000e+07
assign (resid 40 and name HN) (resid 152 and name HA) 2.923 1.068 1.068 weight 1.000 ! spec=HNH, no=441, id=408, vol=3.470000e+07
assign (resid 41 and name HN) (resid 39 and name HB2) 3.584 1.606 1.606 weight 1.000 ! spec=HNH, no=443, id=410, vol=1.020000e+07
assign (resid 41 and name HN) (resid 41 and name HE22) 4.083 2.084 2.084 weight 1.000 ! spec=HNH, no=445, id=412, vol=4.670000e+06
assign (resid 41 and name HN) (resid 40 and name HN) 3.363 1.414 1.414 weight 1.000 ! spec=HNH, no=446, id=413, vol=1.500000e+07
assign (resid 41 and name HN) (resid 40 and name HA) 2.296 0.659 0.659 weight 1.000 ! spec=HNH, no=447, id=414, vol=1.480000e+08
assign (resid 41 and name HN) (resid 40 and name HB1) 3.307 1.367 1.367 weight 1.000 ! spec=HNH, no=449, id=416, vol=1.660000e+07
assign (resid 41 and name HN) (resid 40 and name HD22) 3.666 1.680 1.680 weight 1.000 ! spec=HNH, no=451, id=418, vol=8.920000e+06
    or (resid 41 and name HN) (resid 40 and name HD21)
    or (resid 41 and name HN) (resid 40 and name HD23)
assign (resid 41 and name HN) (resid 41 and name HB2) 2.723 0.927 0.927 weight 1.000 ! spec=HNH, no=452, id=419, vol=5.310000e+07
assign (resid 41 and name HN) (resid 41 and name HB1) 2.738 0.937 0.937 weight 1.000 ! spec=HNH, no=453, id=420, vol=5.140000e+07
assign (resid 41 and name HN) (resid 41 and name HG2) 2.894 1.047 1.047 weight 1.000 ! spec=HNH, no=454, id=421, vol=3.690000e+07
assign (resid 41 and name HN) (resid 41 and name HG1) 2.738 0.937 0.937 weight 1.000 ! spec=HNH, no=455, id=422, vol=5.140000e+07
assign (resid 41 and name HN) (resid 42 and name HN) 2.957 1.093 1.093 weight 1.000 ! spec=HNH, no=456, id=423, vol=3.240000e+07
assign (resid 41 and name HN) (resid 150 and name HA2) 3.656 1.671 1.671 weight 1.000 ! spec=HNH, no=457, id=424, vol=9.070000e+06
assign (resid 41 and name HE21) (resid 85 and name HA1) 4.285 2.295 2.295 weight 1.000 ! spec=HNH, no=459, id=426, vol=3.500000e+06
assign (resid 41 and name HE22) (resid 84 and name HG2) 4.023 2.023 2.023 weight 1.000 ! spec=HNH, no=471, id=438, vol=5.110000e+06
    or (resid 41 and name HE22) (resid 84 and name HG1)
assign (resid 41 and name HE22) (resid 89 and name HG22) 4.310 2.322 2.322 weight 1.000 ! spec=HNH, no=475, id=442, vol=3.380000e+06
    or (resid 41 and name HE22) (resid 89 and name HG21)
    or (resid 41 and name HE22) (resid 89 and name HG23)
assign (resid 41 and name HE22) (resid 41 and name HA) 3.880 1.882 1.882 weight 1.000 ! spec=HNH, no=477, id=444, vol=6.350000e+06
assign (resid 41 and name HE21) (resid 40 and name HN) 4.219 2.225 2.225 weight 1.000 ! spec=HNH, no=478, id=445, vol=3.840000e+06
assign (resid 41 and name HE21) (resid 41 and name HN) 4.131 2.134 2.134 weight 1.000 ! spec=HNH, no=479, id=446, vol=4.360000e+06
assign (resid 41 and name HE21) (resid 41 and name HA) 3.837 1.841 1.841 weight 1.000 ! spec=HNH, no=480, id=447, vol=6.790000e+06
assign (resid 41 and name HE21) (resid 41 and name HB2) 3.288 1.352 1.352 weight 1.000 ! spec=HNH, no=481, id=448, vol=1.710000e+07
assign (resid 41 and name HE22) (resid 41 and name HB2) 3.374 1.423 1.423 weight 1.000 ! spec=HNH, no=482, id=449, vol=1.470000e+07
assign (resid 41 and name HE21) (resid 41 and name HG2) 2.755 0.949 0.949 weight 1.000 ! spec=HNH, no=487, id=452, vol=4.960000e+07
assign (resid 41 and name HE22) (resid 41 and name HG2) 3.182 1.266 1.266 weight 1.000 ! spec=HNH, no=488, id=453, vol=2.090000e+07
assign (resid 41 and name HE21) (resid 150 and name HA2) 4.055 2.055 2.055 weight 1.000 ! spec=HNH, no=490, id=455, vol=4.870000e+06
assign (resid 42 and name HN) (resid 42 and name HB1) 2.770 0.959 0.959 weight 1.000 ! spec=HNH, no=491, id=456, vol=4.800000e+07
assign (resid 42 and name HN) (resid 41 and name HA) 2.197 0.603 0.603 weight 1.000 ! spec=HNH, no=495, id=460, vol=1.930000e+08
assign (resid 42 and name HN) (resid 40 and name HD22) 3.930 1.931 1.931 weight 1.000 ! spec=HNH, no=500, id=465, vol=5.880000e+06
    or (resid 42 and name HN) (resid 40 and name HD21)
    or (resid 42 and name HN) (resid 40 and name HD23)
assign (resid 42 and name HN) (resid 42 and name HB2) 2.408 0.725 0.725 weight 1.000 ! spec=HNH, no=504, id=468, vol=1.110000e+08
assign (resid 42 and name HN) (resid 43 and name HN) 3.086 1.190 1.190 weight 1.000 ! spec=HNH, no=505, id=469, vol=2.510000e+07
assign (resid 42 and name HN) (resid 43 and name HA) 3.810 1.815 1.815 weight 1.000 ! spec=HNH, no=506, id=470, vol=7.080000e+06
assign (resid 42 and name HN) (resid 150 and name HA2) 3.065 1.174 1.174 weight 1.000 ! spec=HNH, no=508, id=472, vol=2.610000e+07
assign (resid 42 and name HN) (resid 150 and name HA1) 3.047 1.161 1.161 weight 1.000 ! spec=HNH, no=509, id=473, vol=2.710000e+07
assign (resid 43 and name HN) (resid 42 and name HB2) 3.046 1.160 1.160 weight 1.000 ! spec=HNH, no=510, id=474, vol=2.710000e+07
assign (resid 43 and name HN) (resid 42 and name HB1) 2.894 1.047 1.047 weight 1.000 ! spec=HNH, no=515, id=479, vol=3.690000e+07
assign (resid 43 and name HN) (resid 42 and name HA) 2.128 0.566 0.566 weight 1.000 ! spec=HNH, no=517, id=481, vol=2.330000e+08
assign (resid 43 and name HN) (resid 43 and name HA) 2.771 0.960 0.960 weight 1.000 ! spec=HNH, no=519, id=482, vol=4.780000e+07
assign (resid 43 and name HN) (resid 44 and name HN) 3.172 1.258 1.258 weight 1.000 ! spec=HNH, no=521, id=484, vol=2.130000e+07
assign (resid 43 and name HN) (resid 44 and name HG22) 3.503 1.534 1.534 weight 1.000 ! spec=HNH, no=522, id=485, vol=1.170000e+07
    or (resid 43 and name HN) (resid 44 and name HG21)
    or (resid 43 and name HN) (resid 44 and name HG23)
assign (resid 44 and name HN) (resid 149 and name HB1) 3.466 1.502 1.502 weight 1.000 ! spec=HNH, no=525, id=488, vol=1.250000e+07
assign (resid 44 and name HN) (resid 55 and name HE21) 3.804 1.809 1.809 weight 1.000 ! spec=HNH, no=530, id=493, vol=7.150000e+06
assign (resid 44 and name HN) (resid 43 and name HB2) 2.471 0.764 0.764 weight 1.000 ! spec=HNH, no=533, id=496, vol=9.510000e+07
    or (resid 44 and name HN) (resid 43 and name HB1)
    or (resid 44 and name HN) (resid 43 and name HB3)
assign (resid 44 and name HN) (resid 44 and name HA) 2.599 0.844 0.844 weight 1.000 ! spec=HNH, no=535, id=497, vol=7.030000e+07
assign (resid 44 and name HN) (resid 44 and name HG12) 2.515 0.791 0.791 weight 1.000 ! spec=HNH, no=537, id=499, vol=8.550000e+07
assign (resid 44 and name HN) (resid 44 and name HG11) 2.488 0.774 0.774 weight 1.000 ! spec=HNH, no=538, id=500, vol=9.140000e+07
assign (resid 45 and name HN) (resid 45 and name HE2) 4.169 2.173 2.173 weight 1.000 ! spec=HNH, no=547, id=509, vol=4.130000e+06
    or (resid 45 and name HN) (resid 45 and name HE1)
assign (resid 45 and name HN) (resid 44 and name HN) 3.128 1.223 1.223 weight 1.000 ! spec=HNH, no=552, id=514, vol=2.310000e+07
assign (resid 45 and name HN) (resid 44 and name HA) 2.012 0.506 0.506 weight 1.000 ! spec=HNH, no=553, id=515, vol=3.270000e+08
assign (resid 45 and name HN) (resid 44 and name HB) 2.090 0.546 0.546 weight 1.000 ! spec=HNH, no=555, id=517, vol=2.600000e+08
assign (resid 45 and name HN) (resid 44 and name HG11) 2.865 1.026 1.026 weight 1.000 ! spec=HNH, no=557, id=519, vol=3.920000e+07
assign (resid 45 and name HN) (resid 45 and name HA) 2.161 0.584 0.584 weight 1.000 ! spec=HNH, no=561, id=522, vol=2.130000e+08
assign (resid 45 and name HN) (resid 45 and name HB2) 2.205 0.608 0.608 weight 1.000 ! spec=HNH, no=562, id=523, vol=1.890000e+08
assign (resid 45 and name HN) (resid 45 and name HB1) 2.090 0.546 0.546 weight 1.000 ! spec=HNH, no=563, id=524, vol=2.600000e+08
assign (resid 46 and name HN) (resid 51 and name HB2) 3.635 1.651 1.651 weight 1.000 ! spec=HNH, no=568, id=529, vol=9.400000e+06
assign (resid 46 and name HN) (resid 45 and name HG1) 3.247 1.318 1.318 weight 1.000 ! spec=HNH, no=575, id=536, vol=1.850000e+07
assign (resid 46 and name HN) (resid 45 and name HD2) 2.904 1.054 1.054 weight 1.000 ! spec=HNH, no=576, id=537, vol=3.610000e+07
assign (resid 46 and name HN) (resid 45 and name HE2) 3.764 1.771 1.771 weight 1.000 ! spec=HNH, no=577, id=538, vol=7.610000e+06
assign (resid 46 and name HN) (resid 46 and name HB) 2.726 0.929 0.929 weight 1.000 ! spec=HNH, no=580, id=540, vol=5.280000e+07
assign (resid 46 and name HN) (resid 47 and name HN) 3.624 1.641 1.641 weight 1.000 ! spec=HNH, no=582, id=542, vol=9.570000e+06
assign (resid 47 and name HN) (resid 51 and name HB1) 3.040 1.155 1.155 weight 1.000 ! spec=HNH, no=585, id=545, vol=2.750000e+07
assign (resid 47 and name HN) (resid 51 and name HB2) 3.126 1.222 1.222 weight 1.000 ! spec=HNH, no=591, id=551, vol=2.320000e+07
assign (resid 47 and name HN) (resid 45 and name HB1) 4.120 2.122 2.122 weight 1.000 ! spec=HNH, no=593, id=553, vol=4.430000e+06
assign (resid 47 and name HN) (resid 47 and name HA) 2.901 1.052 1.052 weight 1.000 ! spec=HNH, no=598, id=557, vol=3.640000e+07
assign (resid 47 and name HN) (resid 47 and name HB1) 2.614 0.854 0.854 weight 1.000 ! spec=HNH, no=600, id=559, vol=6.800000e+07
assign (resid 47 and name HN) (resid 48 and name HA) 3.683 1.696 1.696 weight 1.000 ! spec=HNH, no=602, id=561, vol=8.670000e+06
assign (resid 47 and name HN) (resid 48 and name HB2) 3.955 1.955 1.955 weight 1.000 ! spec=HNH, no=603, id=562, vol=5.660000e+06
assign (resid 48 and name HN) (resid 47 and name HA) 2.940 1.080 1.080 weight 1.000 ! spec=HNH, no=616, id=575, vol=3.360000e+07
assign (resid 48 and name HN) (resid 46 and name HA) 2.626 0.862 0.862 weight 1.000 ! spec=HNH, no=622, id=581, vol=6.610000e+07
assign (resid 47 and name HN) (resid 48 and name HN) 2.145 0.575 0.575 weight 1.000 ! spec=HNH, no=624, id=583, vol=2.220000e+08
assign (resid 48 and name HN) (resid 47 and name HB1) 2.682 0.899 0.899 weight 1.000 ! spec=HNH, no=626, id=585, vol=5.820000e+07
assign (resid 48 and name HN) (resid 48 and name HB2) 3.046 1.159 1.159 weight 1.000 ! spec=HNH, no=629, id=587, vol=2.710000e+07
assign (resid 48 and name HN) (resid 48 and name HB1) 3.136 1.229 1.229 weight 1.000 ! spec=HNH, no=630, id=588, vol=2.280000e+07
assign (resid 48 and name HN) (resid 51 and name HB1) 2.677 0.896 0.896 weight 1.000 ! spec=HNH, no=635, id=593, vol=5.890000e+07
assign (resid 49 and name HN) (resid 143 and name HN) 3.734 1.743 1.743 weight 1.000 ! spec=HNH, no=637, id=595, vol=8.000000e+06
assign (resid 49 and name HN) (resid 144 and name HG2) 2.605 0.848 0.848 weight 1.000 ! spec=HNH, no=639, id=597, vol=6.930000e+07
    or (resid 49 and name HN) (resid 144 and name HG1)
assign (resid 49 and name HN) (resid 46 and name HG12) 3.062 1.172 1.172 weight 1.000 ! spec=HNH, no=641, id=599, vol=2.630000e+07
    or (resid 49 and name HN) (resid 46 and name HG11)
    or (resid 49 and name HN) (resid 46 and name HG13)
assign (resid 49 and name HN) (resid 105 and name HZ) 3.412 1.455 1.455 weight 1.000 ! spec=HNH, no=647, id=604, vol=1.370000e+07
assign (resid 49 and name HN) (resid 48 and name HN) 3.286 1.349 1.349 weight 1.000 ! spec=HNH, no=648, id=605, vol=1.720000e+07
assign (resid 49 and name HN) (resid 48 and name HA) 2.324 0.675 0.675 weight 1.000 ! spec=HNH, no=649, id=606, vol=1.370000e+08
assign (resid 49 and name HN) (resid 48 and name HB2) 2.752 0.947 0.947 weight 1.000 ! spec=HNH, no=650, id=607, vol=4.990000e+07
assign (resid 49 and name HN) (resid 49 and name HA) 2.584 0.835 0.835 weight 1.000 ! spec=HNH, no=652, id=608, vol=7.270000e+07
assign (resid 49 and name HN) (resid 49 and name HB) 2.328 0.677 0.677 weight 1.000 ! spec=HNH, no=653, id=609, vol=1.360000e+08
assign (resid 49 and name HN) (resid 52 and name HG12) 3.038 1.153 1.153 weight 1.000 ! spec=HNH, no=660, id=616, vol=2.760000e+07
    or (resid 49 and name HN) (resid 52 and name HG11)
    or (resid 49 and name HN) (resid 52 and name HG13)
assign (resid 50 and name HN) (resid 49 and name HG11) 3.169 1.255 1.255 weight 1.000 ! spec=HNH, no=661, id=617, vol=2.140000e+07
assign (resid 50 and name HN) (resid 52 and name HG12) 3.399 1.444 1.444 weight 1.000 ! spec=HNH, no=663, id=619, vol=1.400000e+07
    or (resid 50 and name HN) (resid 52 and name HG11)
    or (resid 50 and name HN) (resid 52 and name HG13)
assign (resid 50 and name HN) (resid 46 and name HG12) 3.718 1.728 1.728 weight 1.000 ! spec=HNH, no=665, id=621, vol=8.210000e+06
    or (resid 50 and name HN) (resid 46 and name HG11)
    or (resid 50 and name HN) (resid 46 and name HG13)
assign (resid 50 and name HN) (resid 48 and name HA) 3.215 1.292 1.292 weight 1.000 ! spec=HNH, no=666, id=622, vol=1.960000e+07
assign (resid 50 and name HN) (resid 48 and name HB2) 3.008 1.131 1.131 weight 1.000 ! spec=HNH, no=667, id=623, vol=2.930000e+07
assign (resid 50 and name HN) (resid 48 and name HB1) 2.731 0.932 0.932 weight 1.000 ! spec=HNH, no=668, id=624, vol=5.230000e+07
assign (resid 49 and name HN) (resid 50 and name HN) 2.646 0.875 0.875 weight 1.000 ! spec=HNH, no=669, id=625, vol=6.320000e+07
assign (resid 50 and name HN) (resid 49 and name HA) 2.918 1.064 1.064 weight 1.000 ! spec=HNH, no=670, id=626, vol=3.510000e+07
assign (resid 50 and name HN) (resid 50 and name HA) 2.464 0.759 0.759 weight 1.000 ! spec=HNH, no=673, id=628, vol=9.680000e+07
assign (resid 50 and name HN) (resid 50 and name HG2) 2.677 0.896 0.896 weight 1.000 ! spec=HNH, no=674, id=629, vol=5.880000e+07
assign (resid 50 and name HN) (resid 50 and name HB2) 2.140 0.572 0.572 weight 1.000 ! spec=HNH, no=675, id=630, vol=2.260000e+08
assign (resid 50 and name HN) (resid 52 and name HN) 3.185 1.268 1.268 weight 1.000 ! spec=HNH, no=677, id=632, vol=2.080000e+07
assign (resid 51 and name HN) (resid 51 and name HA) 2.391 0.715 0.715 weight 1.000 ! spec=HNH, no=685, id=640, vol=1.160000e+08
assign (resid 47 and name HN) (resid 51 and name HN) 3.445 1.483 1.483 weight 1.000 ! spec=HNH, no=686, id=641, vol=1.300000e+07
assign (resid 48 and name HN) (resid 51 and name HN) 2.872 1.031 1.031 weight 1.000 ! spec=HNH, no=687, id=642, vol=3.860000e+07
assign (resid 51 and name HN) (resid 48 and name HA) 3.537 1.564 1.564 weight 1.000 ! spec=HNH, no=688, id=643, vol=1.110000e+07
assign (resid 51 and name HN) (resid 48 and name HB1) 3.188 1.270 1.270 weight 1.000 ! spec=HNH, no=689, id=644, vol=2.060000e+07
assign (resid 49 and name HN) (resid 51 and name HN) 3.684 1.697 1.697 weight 1.000 ! spec=HNH, no=690, id=645, vol=8.660000e+06
assign (resid 51 and name HN) (resid 49 and name HG22) 3.168 1.255 1.255 weight 1.000 ! spec=HNH, no=691, id=646, vol=2.140000e+07
    or (resid 51 and name HN) (resid 49 and name HG21)
    or (resid 51 and name HN) (resid 49 and name HG23)
assign (resid 50 and name HN) (resid 51 and name HN) 2.271 0.644 0.644 weight 1.000 ! spec=HNH, no=692, id=647, vol=1.580000e+08
assign (resid 51 and name HN) (resid 50 and name HA) 3.054 1.166 1.166 weight 1.000 ! spec=HNH, no=693, id=648, vol=2.670000e+07
assign (resid 51 and name HN) (resid 50 and name HB2) 2.528 0.799 0.799 weight 1.000 ! spec=HNH, no=694, id=649, vol=8.310000e+07
assign (resid 51 and name HN) (resid 51 and name HB1) 2.500 0.781 0.781 weight 1.000 ! spec=HNH, no=697, id=651, vol=8.870000e+07
assign (resid 51 and name HN) (resid 52 and name HN) 2.457 0.755 0.755 weight 1.000 ! spec=HNH, no=698, id=652, vol=9.850000e+07
assign (resid 51 and name HN) (resid 52 and name HG12) 2.998 1.123 1.123 weight 1.000 ! spec=HNH, no=699, id=653, vol=2.990000e+07
    or (resid 51 and name HN) (resid 52 and name HG11)
    or (resid 51 and name HN) (resid 52 and name HG13)
assign (resid 52 and name HN) (resid 55 and name HE22) 3.961 1.961 1.961 weight 1.000 ! spec=HNH, no=702, id=656, vol=5.610000e+06
assign (resid 52 and name HN) (resid 49 and name HN) 4.207 2.212 2.212 weight 1.000 ! spec=HNH, no=705, id=659, vol=3.910000e+06
assign (resid 48 and name HN) (resid 52 and name HN) 3.303 1.363 1.363 weight 1.000 ! spec=HNH, no=708, id=662, vol=1.670000e+07
assign (resid 47 and name HN) (resid 52 and name HN) 4.024 2.024 2.024 weight 1.000 ! spec=HNH, no=712, id=666, vol=5.100000e+06
assign (resid 52 and name HN) (resid 46 and name HG12) 2.902 1.053 1.053 weight 1.000 ! spec=HNH, no=714, id=668, vol=3.620000e+07
    or (resid 52 and name HN) (resid 46 and name HG11)
    or (resid 52 and name HN) (resid 46 and name HG13)
assign (resid 52 and name HN) (resid 46 and name HG22) 3.020 1.140 1.140 weight 1.000 ! spec=HNH, no=715, id=669, vol=2.850000e+07
    or (resid 52 and name HN) (resid 46 and name HG21)
    or (resid 52 and name HN) (resid 46 and name HG23)
assign (resid 52 and name HN) (resid 50 and name HB2) 3.566 1.589 1.589 weight 1.000 ! spec=HNH, no=719, id=673, vol=1.050000e+07
assign (resid 52 and name HN) (resid 51 and name HA) 3.031 1.148 1.148 weight 1.000 ! spec=HNH, no=721, id=675, vol=2.800000e+07
assign (resid 52 and name HN) (resid 51 and name HB2) 2.976 1.107 1.107 weight 1.000 ! spec=HNH, no=722, id=676, vol=3.120000e+07
assign (resid 52 and name HN) (resid 51 and name HB1) 2.879 1.036 1.036 weight 1.000 ! spec=HNH, no=723, id=677, vol=3.800000e+07
assign (resid 52 and name HN) (resid 52 and name HA) 2.707 0.916 0.916 weight 1.000 ! spec=HNH, no=725, id=678, vol=5.500000e+07
assign (resid 52 and name HN) (resid 52 and name HB) 2.434 0.740 0.740 weight 1.000 ! spec=HNH, no=726, id=679, vol=1.040000e+08
assign (resid 52 and name HN) (resid 53 and name HG1) 3.371 1.421 1.421 weight 1.000 ! spec=HNH, no=729, id=682, vol=1.480000e+07
assign (resid 53 and name HN) (resid 46 and name HG12) 3.301 1.362 1.362 weight 1.000 ! spec=HNH, no=735, id=687, vol=1.680000e+07
    or (resid 53 and name HN) (resid 46 and name HG11)
    or (resid 53 and name HN) (resid 46 and name HG13)
assign (resid 53 and name HN) (resid 51 and name HN) 3.162 1.250 1.250 weight 1.000 ! spec=HNH, no=736, id=688, vol=2.170000e+07
assign (resid 52 and name HN) (resid 53 and name HN) 2.428 0.737 0.737 weight 1.000 ! spec=HNH, no=739, id=691, vol=1.060000e+08
assign (resid 53 and name HN) (resid 52 and name HA) 2.872 1.031 1.031 weight 1.000 ! spec=HNH, no=740, id=692, vol=3.860000e+07
assign (resid 53 and name HN) (resid 53 and name HG2) 2.760 0.952 0.952 weight 1.000 ! spec=HNH, no=745, id=696, vol=4.900000e+07
assign (resid 53 and name HN) (resid 53 and name HG1) 2.430 0.738 0.738 weight 1.000 ! spec=HNH, no=746, id=697, vol=1.050000e+08
assign (resid 53 and name HN) (resid 53 and name HB2) 2.553 0.815 0.815 weight 1.000 ! spec=HNH, no=747, id=698, vol=7.820000e+07
assign (resid 53 and name HE) (resid 63 and name HB2) 4.164 2.168 2.168 weight 1.000 ! spec=HNH, no=748, id=699, vol=4.150000e+06
assign (resid 53 and name HE) (resid 57 and name HG21) 3.162 1.249 1.249 weight 1.000 ! spec=HNH, no=753, id=703, vol=2.170000e+07
    or (resid 53 and name HE) (resid 57 and name HG22)
    or (resid 53 and name HE) (resid 57 and name HG23)
assign (resid 53 and name HE) (resid 62 and name HA) 3.893 1.894 1.894 weight 1.000 ! spec=HNH, no=756, id=706, vol=6.220000e+06
assign (resid 53 and name HE) (resid 50 and name HA) 4.095 2.096 2.096 weight 1.000 ! spec=HNH, no=760, id=710, vol=4.600000e+06
assign (resid 53 and name HE) (resid 53 and name HN) 3.864 1.866 1.866 weight 1.000 ! spec=HNH, no=762, id=712, vol=6.510000e+06
assign (resid 53 and name HE) (resid 53 and name HD2) 2.967 1.100 1.100 weight 1.000 ! spec=HNH, no=763, id=713, vol=3.170000e+07
assign (resid 53 and name HE) (resid 53 and name HG2) 2.859 1.022 1.022 weight 1.000 ! spec=HNH, no=765, id=714, vol=3.960000e+07
assign (resid 53 and name HE) (resid 63 and name HN) 3.470 1.505 1.505 weight 1.000 ! spec=HNH, no=767, id=716, vol=1.240000e+07
assign (resid 53 and name HE) (resid 105 and name HB2) 3.327 1.384 1.384 weight 1.000 ! spec=HNH, no=768, id=717, vol=1.600000e+07
assign (resid 53 and name HE) (resid 105 and name HB1) 3.103 1.203 1.203 weight 1.000 ! spec=HNH, no=769, id=718, vol=2.430000e+07
assign (resid 53 and name HE) (resid 105 and name HD1) 3.476 1.511 1.511 weight 1.000 ! spec=HNH, no=770, id=719, vol=1.230000e+07
assign (resid 54 and name HN) (resid 57 and name HN) 3.598 1.619 1.619 weight 1.000 ! spec=HNH, no=774, id=723, vol=9.980000e+06
assign (resid 54 and name HN) (resid 52 and name HG22) 3.187 1.270 1.270 weight 1.000 ! spec=HNH, no=784, id=732, vol=2.070000e+07
    or (resid 54 and name HN) (resid 52 and name HG21)
    or (resid 54 and name HN) (resid 52 and name HG23)
assign (resid 52 and name HN) (resid 54 and name HN) 3.291 1.354 1.354 weight 1.000 ! spec=HNH, no=786, id=734, vol=1.710000e+07
assign (resid 54 and name HN) (resid 53 and name HD1) 3.041 1.156 1.156 weight 1.000 ! spec=HNH, no=787, id=735, vol=2.740000e+07
assign (resid 54 and name HN) (resid 53 and name HG1) 2.670 0.891 0.891 weight 1.000 ! spec=HNH, no=788, id=736, vol=5.970000e+07
assign (resid 54 and name HN) (resid 54 and name HA) 2.382 0.709 0.709 weight 1.000 ! spec=HNH, no=791, id=738, vol=1.190000e+08
assign (resid 54 and name HN) (resid 54 and name HD22) 3.633 1.650 1.650 weight 1.000 ! spec=HNH, no=792, id=739, vol=9.430000e+06
assign (resid 54 and name HN) (resid 54 and name HB2) 2.161 0.584 0.584 weight 1.000 ! spec=HNH, no=793, id=740, vol=2.130000e+08
assign (resid 54 and name HD21) (resid 51 and name HB1) 3.988 1.988 1.988 weight 1.000 ! spec=HNH, no=796, id=743, vol=5.390000e+06
assign (resid 54 and name HD22) (resid 50 and name HB2) 3.680 1.693 1.693 weight 1.000 ! spec=HNH, no=801, id=748, vol=8.720000e+06
assign (resid 54 and name HD21) (resid 51 and name HA) 3.102 1.203 1.203 weight 1.000 ! spec=HNH, no=802, id=749, vol=2.430000e+07
assign (resid 54 and name HD22) (resid 51 and name HA) 3.159 1.248 1.248 weight 1.000 ! spec=HNH, no=803, id=750, vol=2.180000e+07
assign (resid 54 and name HD21) (resid 54 and name HN) 3.626 1.643 1.643 weight 1.000 ! spec=HNH, no=804, id=751, vol=9.530000e+06
assign (resid 54 and name HD21) (resid 54 and name HA) 3.996 1.996 1.996 weight 1.000 ! spec=HNH, no=806, id=753, vol=5.320000e+06
assign (resid 54 and name HD22) (resid 54 and name HA) 4.048 2.048 2.048 weight 1.000 ! spec=HNH, no=807, id=754, vol=4.920000e+06
assign (resid 54 and name HD22) (resid 54 and name HD21) 1.779 0.396 0.396 weight 1.000 ! spec=HNH, no=810, id=756, vol=6.840000e+08
assign (resid 54 and name HD22) (resid 54 and name HB2) 2.599 0.844 0.844 weight 1.000 ! spec=HNH, no=813, id=758, vol=7.030000e+07
assign (resid 55 and name HN) (resid 52 and name HA) 2.973 1.105 1.105 weight 1.000 ! spec=HNH, no=814, id=759, vol=3.140000e+07
assign (resid 55 and name HN) (resid 58 and name HN) 3.783 1.789 1.789 weight 1.000 ! spec=HNH, no=815, id=760, vol=7.390000e+06
assign (resid 55 and name HN) (resid 53 and name HD2) 3.511 1.541 1.541 weight 1.000 ! spec=HNH, no=817, id=762, vol=1.160000e+07
assign (resid 55 and name HN) (resid 151 and name HG21) 3.135 1.229 1.229 weight 1.000 ! spec=HNH, no=820, id=765, vol=2.280000e+07
    or (resid 55 and name HN) (resid 151 and name HG22)
    or (resid 55 and name HN) (resid 151 and name HG23)
assign (resid 55 and name HN) (resid 40 and name HD22) 3.614 1.633 1.633 weight 1.000 ! spec=HNH, no=823, id=768, vol=9.720000e+06
    or (resid 55 and name HN) (resid 40 and name HD21)
    or (resid 55 and name HN) (resid 40 and name HD23)
assign (resid 54 and name HN) (resid 55 and name HN) 2.554 0.815 0.815 weight 1.000 ! spec=HNH, no=824, id=769, vol=7.810000e+07
assign (resid 55 and name HN) (resid 54 and name HA) 3.100 1.201 1.201 weight 1.000 ! spec=HNH, no=825, id=770, vol=2.440000e+07
assign (resid 55 and name HN) (resid 54 and name HB2) 2.611 0.852 0.852 weight 1.000 ! spec=HNH, no=826, id=771, vol=6.840000e+07
assign (resid 55 and name HN) (resid 55 and name HA) 2.418 0.731 0.731 weight 1.000 ! spec=HNH, no=828, id=772, vol=1.080000e+08
assign (resid 55 and name HN) (resid 55 and name HB2) 2.425 0.735 0.735 weight 1.000 ! spec=HNH, no=829, id=773, vol=1.060000e+08
assign (resid 55 and name HN) (resid 55 and name HE22) 3.803 1.807 1.807 weight 1.000 ! spec=HNH, no=831, id=775, vol=7.170000e+06
assign (resid 55 and name HN) (resid 55 and name HG2) 2.415 0.729 0.729 weight 1.000 ! spec=HNH, no=832, id=776, vol=1.090000e+08
assign (resid 55 and name HE21) (resid 150 and name HA2) 4.319 2.331 2.331 weight 1.000 ! spec=HNH, no=838, id=782, vol=3.340000e+06
assign (resid 55 and name HE21) (resid 51 and name HB1) 4.501 2.533 2.533 weight 1.000 ! spec=HNH, no=840, id=784, vol=2.600000e+06
assign (resid 55 and name HE21) (resid 42 and name HB1) 3.515 1.544 1.544 weight 1.000 ! spec=HNH, no=843, id=787, vol=1.150000e+07
assign (resid 55 and name HE21) (resid 44 and name HG22) 2.814 0.990 0.990 weight 1.000 ! spec=HNH, no=845, id=789, vol=4.360000e+07
    or (resid 55 and name HE21) (resid 44 and name HG21)
    or (resid 55 and name HE21) (resid 44 and name HG23)
assign (resid 55 and name HE21) (resid 42 and name HB2) 3.166 1.253 1.253 weight 1.000 ! spec=HNH, no=846, id=790, vol=2.150000e+07
assign (resid 55 and name HE21) (resid 52 and name HA) 3.132 1.226 1.226 weight 1.000 ! spec=HNH, no=847, id=791, vol=2.300000e+07
assign (resid 55 and name HE21) (resid 52 and name HG22) 3.039 1.155 1.155 weight 1.000 ! spec=HNH, no=848, id=792, vol=2.750000e+07
    or (resid 55 and name HE21) (resid 52 and name HG21)
    or (resid 55 and name HE21) (resid 52 and name HG23)
assign (resid 55 and name HE21) (resid 44 and name HG11) 3.780 1.786 1.786 weight 1.000 ! spec=HNH, no=849, id=793, vol=7.420000e+06
assign (resid 55 and name HE22) (resid 44 and name HN) 3.879 1.880 1.880 weight 1.000 ! spec=HNH, no=852, id=796, vol=6.360000e+06
assign (resid 55 and name HE22) (resid 42 and name HB1) 3.701 1.713 1.713 weight 1.000 ! spec=HNH, no=853, id=797, vol=8.420000e+06
assign (resid 55 and name HE22) (resid 42 and name HB2) 3.208 1.286 1.286 weight 1.000 ! spec=HNH, no=854, id=798, vol=1.990000e+07
assign (resid 55 and name HE22) (resid 44 and name HG11) 3.696 1.708 1.708 weight 1.000 ! spec=HNH, no=856, id=800, vol=8.500000e+06
assign (resid 55 and name HE22) (resid 43 and name HN) 4.226 2.232 2.232 weight 1.000 ! spec=HNH, no=857, id=801, vol=3.800000e+06
assign (resid 55 and name HE22) (resid 40 and name HD22) 3.673 1.686 1.686 weight 1.000 ! spec=HNH, no=864, id=808, vol=8.830000e+06
    or (resid 55 and name HE22) (resid 40 and name HD21)
    or (resid 55 and name HE22) (resid 40 and name HD23)
assign (resid 55 and name HE22) (resid 52 and name HA) 3.338 1.392 1.392 weight 1.000 ! spec=HNH, no=865, id=809, vol=1.570000e+07
assign (resid 55 and name HE22) (resid 52 and name HG22) 3.099 1.200 1.200 weight 1.000 ! spec=HNH, no=866, id=810, vol=2.450000e+07
    or (resid 55 and name HE22) (resid 52 and name HG21)
    or (resid 55 and name HE22) (resid 52 and name HG23)
assign (resid 55 and name HE21) (resid 54 and name HB2) 3.781 1.787 1.787 weight 1.000 ! spec=HNH, no=867, id=811, vol=7.410000e+06
assign (resid 55 and name HE21) (resid 55 and name HA) 3.663 1.678 1.678 weight 1.000 ! spec=HNH, no=869, id=813, vol=8.960000e+06
assign (resid 55 and name HE21) (resid 55 and name HB2) 2.977 1.108 1.108 weight 1.000 ! spec=HNH, no=871, id=815, vol=3.110000e+07
assign (resid 55 and name HE22) (resid 55 and name HE21) 1.772 0.393 0.393 weight 1.000 ! spec=HNH, no=874, id=817, vol=6.990000e+08
assign (resid 55 and name HE21) (resid 55 and name HG2) 2.699 0.910 0.910 weight 1.000 ! spec=HNH, no=876, id=818, vol=5.610000e+07
assign (resid 55 and name HE22) (resid 55 and name HG2) 2.994 1.121 1.121 weight 1.000 ! spec=HNH, no=877, id=819, vol=3.010000e+07
assign (resid 55 and name HE21) (resid 55 and name HG1) 2.797 0.978 0.978 weight 1.000 ! spec=HNH, no=878, id=820, vol=4.530000e+07
assign (resid 55 and name HE22) (resid 55 and name HG1) 3.114 1.212 1.212 weight 1.000 ! spec=HNH, no=879, id=821, vol=2.380000e+07
assign (resid 55 and name HE22) (resid 148 and name HN) 4.265 2.273 2.273 weight 1.000 ! spec=HNH, no=882, id=824, vol=3.600000e+06
assign (resid 55 and name HE22) (resid 148 and name HA) 3.984 1.984 1.984 weight 1.000 ! spec=HNH, no=884, id=826, vol=5.420000e+06
assign (resid 55 and name HE21) (resid 151 and name HG21) 3.040 1.155 1.155 weight 1.000 ! spec=HNH, no=886, id=828, vol=2.750000e+07
    or (resid 55 and name HE21) (resid 151 and name HG22)
    or (resid 55 and name HE21) (resid 151 and name HG23)
assign (resid 55 and name HE22) (resid 151 and name HG21) 3.038 1.154 1.154 weight 1.000 ! spec=HNH, no=887, id=829, vol=2.750000e+07
    or (resid 55 and name HE22) (resid 151 and name HG22)
    or (resid 55 and name HE22) (resid 151 and name HG23)
assign (resid 56 and name HN) (resid 54 and name HN) 3.416 1.459 1.459 weight 1.000 ! spec=HNH, no=888, id=830, vol=1.360000e+07
assign (resid 56 and name HN) (resid 151 and name HG21) 3.296 1.358 1.358 weight 1.000 ! spec=HNH, no=897, id=839, vol=1.690000e+07
    or (resid 56 and name HN) (resid 151 and name HG22)
    or (resid 56 and name HN) (resid 151 and name HG23)
assign (resid 56 and name HN) (resid 58 and name HB1) 3.498 1.529 1.529 weight 1.000 ! spec=HNH, no=901, id=843, vol=1.180000e+07
assign (resid 56 and name HN) (resid 40 and name HD12) 4.362 2.379 2.379 weight 1.000 ! spec=HNH, no=905, id=847, vol=3.140000e+06
    or (resid 56 and name HN) (resid 40 and name HD11)
    or (resid 56 and name HN) (resid 40 and name HD13)
assign (resid 56 and name HN) (resid 40 and name HD22) 3.501 1.532 1.532 weight 1.000 ! spec=HNH, no=906, id=848, vol=1.180000e+07
    or (resid 56 and name HN) (resid 40 and name HD21)
    or (resid 56 and name HN) (resid 40 and name HD23)
assign (resid 56 and name HN) (resid 55 and name HN) 2.408 0.725 0.725 weight 1.000 ! spec=HNH, no=907, id=849, vol=1.110000e+08
assign (resid 56 and name HN) (resid 55 and name HB2) 2.707 0.916 0.916 weight 1.000 ! spec=HNH, no=909, id=851, vol=5.500000e+07
assign (resid 56 and name HN) (resid 56 and name HA) 2.728 0.930 0.930 weight 1.000 ! spec=HNH, no=912, id=853, vol=5.260000e+07
assign (resid 56 and name HN) (resid 56 and name HB2) 2.648 0.876 0.876 weight 1.000 ! spec=HNH, no=913, id=854, vol=6.290000e+07
assign (resid 56 and name HN) (resid 56 and name HB1) 2.575 0.829 0.829 weight 1.000 ! spec=HNH, no=914, id=855, vol=7.440000e+07
assign (resid 56 and name HN) (resid 57 and name HN) 2.527 0.798 0.798 weight 1.000 ! spec=HNH, no=915, id=856, vol=8.320000e+07
assign (resid 56 and name HN) (resid 63 and name HG1) 3.172 1.258 1.258 weight 1.000 ! spec=HNH, no=919, id=860, vol=2.130000e+07
assign (resid 57 and name HN) (resid 63 and name HG1) 3.829 1.833 1.833 weight 1.000 ! spec=HNH, no=923, id=864, vol=6.880000e+06
assign (resid 57 and name HN) (resid 55 and name HB2) 3.858 1.860 1.860 weight 1.000 ! spec=HNH, no=924, id=865, vol=6.570000e+06
assign (resid 57 and name HN) (resid 54 and name HA) 2.790 0.973 0.973 weight 1.000 ! spec=HNH, no=925, id=866, vol=4.590000e+07
assign (resid 55 and name HN) (resid 57 and name HN) 3.185 1.268 1.268 weight 1.000 ! spec=HNH, no=926, id=867, vol=2.080000e+07
assign (resid 57 and name HN) (resid 55 and name HA) 3.792 1.798 1.798 weight 1.000 ! spec=HNH, no=927, id=868, vol=7.280000e+06
assign (resid 57 and name HN) (resid 56 and name HB2) 3.015 1.136 1.136 weight 1.000 ! spec=HNH, no=929, id=870, vol=2.890000e+07
assign (resid 57 and name HN) (resid 56 and name HB1) 2.698 0.910 0.910 weight 1.000 ! spec=HNH, no=930, id=871, vol=5.610000e+07
assign (resid 57 and name HN) (resid 57 and name HA) 2.739 0.938 0.938 weight 1.000 ! spec=HNH, no=932, id=872, vol=5.130000e+07
assign (resid 57 and name HN) (resid 57 and name HB) 2.974 1.106 1.106 weight 1.000 ! spec=HNH, no=933, id=873, vol=3.130000e+07
assign (resid 56 and name HN) (resid 58 and name HN) 3.370 1.420 1.420 weight 1.000 ! spec=HNH, no=942, id=882, vol=1.480000e+07
assign (resid 58 and name HN) (resid 56 and name HB1) 3.446 1.485 1.485 weight 1.000 ! spec=HNH, no=943, id=883, vol=1.290000e+07
assign (resid 57 and name HN) (resid 58 and name HN) 2.701 0.912 0.912 weight 1.000 ! spec=HNH, no=944, id=884, vol=5.580000e+07
assign (resid 58 and name HN) (resid 58 and name HA) 2.522 0.795 0.795 weight 1.000 ! spec=HNH, no=947, id=886, vol=8.410000e+07
assign (resid 58 and name HN) (resid 58 and name HB2) 2.586 0.836 0.836 weight 1.000 ! spec=HNH, no=948, id=887, vol=7.250000e+07
assign (resid 58 and name HN) (resid 58 and name HB1) 2.344 0.687 0.687 weight 1.000 ! spec=HNH, no=949, id=888, vol=1.310000e+08
assign (resid 58 and name HN) (resid 59 and name HN) 2.627 0.863 0.863 weight 1.000 ! spec=HNH, no=950, id=889, vol=6.590000e+07
assign (resid 58 and name HN) (resid 60 and name HN) 3.470 1.505 1.505 weight 1.000 ! spec=HNH, no=952, id=891, vol=1.240000e+07
assign (resid 59 and name HN) (resid 61 and name HA) 4.048 2.048 2.048 weight 1.000 ! spec=HNH, no=955, id=894, vol=4.920000e+06
assign (resid 59 and name HN) (resid 57 and name HN) 3.338 1.393 1.393 weight 1.000 ! spec=HNH, no=957, id=896, vol=1.570000e+07
assign (resid 59 and name HN) (resid 57 and name HA) 2.861 1.023 1.023 weight 1.000 ! spec=HNH, no=958, id=897, vol=3.950000e+07
assign (resid 59 and name HN) (resid 58 and name HB2) 3.061 1.171 1.171 weight 1.000 ! spec=HNH, no=960, id=899, vol=2.630000e+07
assign (resid 59 and name HN) (resid 58 and name HB1) 2.799 0.979 0.979 weight 1.000 ! spec=HNH, no=961, id=900, vol=4.510000e+07
assign (resid 59 and name HN) (resid 59 and name HA) 2.617 0.856 0.856 weight 1.000 ! spec=HNH, no=963, id=901, vol=6.740000e+07
assign (resid 59 and name HN) (resid 59 and name HB2) 2.587 0.836 0.836 weight 1.000 ! spec=HNH, no=964, id=902, vol=7.230000e+07
assign (resid 59 and name HN) (resid 59 and name HB1) 2.800 0.980 0.980 weight 1.000 ! spec=HNH, no=965, id=903, vol=4.490000e+07
assign (resid 59 and name HN) (resid 60 and name HA2) 3.274 1.340 1.340 weight 1.000 ! spec=HNH, no=967, id=905, vol=1.760000e+07
assign (resid 59 and name HN) (resid 60 and name HA1) 3.339 1.394 1.394 weight 1.000 ! spec=HNH, no=968, id=906, vol=1.560000e+07
assign (resid 60 and name HN) (resid 57 and name HN) 4.311 2.323 2.323 weight 1.000 ! spec=HNH, no=973, id=910, vol=3.370000e+06
assign (resid 60 and name HN) (resid 57 and name HA) 2.910 1.058 1.058 weight 1.000 ! spec=HNH, no=974, id=911, vol=3.570000e+07
assign (resid 60 and name HN) (resid 57 and name HB) 3.701 1.712 1.712 weight 1.000 ! spec=HNH, no=975, id=912, vol=8.430000e+06
assign (resid 60 and name HN) (resid 57 and name HG21) 3.792 1.797 1.797 weight 1.000 ! spec=HNH, no=976, id=913, vol=7.290000e+06
    or (resid 60 and name HN) (resid 57 and name HG22)
    or (resid 60 and name HN) (resid 57 and name HG23)
assign (resid 60 and name HN) (resid 58 and name HB2) 3.983 1.983 1.983 weight 1.000 ! spec=HNH, no=978, id=915, vol=5.420000e+06
assign (resid 60 and name HN) (resid 58 and name HB1) 3.993 1.993 1.993 weight 1.000 ! spec=HNH, no=979, id=916, vol=5.340000e+06
assign (resid 59 and name HN) (resid 60 and name HN) 2.511 0.788 0.788 weight 1.000 ! spec=HNH, no=980, id=917, vol=8.650000e+07
assign (resid 60 and name HN) (resid 59 and name HA) 2.936 1.078 1.078 weight 1.000 ! spec=HNH, no=981, id=918, vol=3.380000e+07
assign (resid 60 and name HN) (resid 59 and name HB2) 3.426 1.467 1.467 weight 1.000 ! spec=HNH, no=982, id=919, vol=1.340000e+07
assign (resid 60 and name HN) (resid 59 and name HB1) 3.420 1.462 1.462 weight 1.000 ! spec=HNH, no=983, id=920, vol=1.350000e+07
assign (resid 60 and name HN) (resid 60 and name HA2) 2.400 0.720 0.720 weight 1.000 ! spec=HNH, no=985, id=921, vol=1.130000e+08
assign (resid 60 and name HN) (resid 60 and name HA1) 2.465 0.760 0.760 weight 1.000 ! spec=HNH, no=986, id=922, vol=9.650000e+07
assign (resid 60 and name HN) (resid 61 and name HN) 2.557 0.817 0.817 weight 1.000 ! spec=HNH, no=987, id=923, vol=7.750000e+07
assign (resid 60 and name HN) (resid 61 and name HA) 3.898 1.899 1.899 weight 1.000 ! spec=HNH, no=988, id=924, vol=6.180000e+06
assign (resid 60 and name HN) (resid 61 and name HB2) 3.460 1.496 1.496 weight 1.000 ! spec=HNH, no=989, id=925, vol=1.260000e+07
    or (resid 60 and name HN) (resid 61 and name HB1)
    or (resid 60 and name HN) (resid 61 and name HB3)
assign (resid 61 and name HN) (resid 57 and name HB) 3.357 1.409 1.409 weight 1.000 ! spec=HNH, no=993, id=929, vol=1.510000e+07
assign (resid 61 and name HN) (resid 59 and name HA) 3.133 1.227 1.227 weight 1.000 ! spec=HNH, no=994, id=930, vol=2.290000e+07
assign (resid 61 and name HN) (resid 29 and name HZ3) 3.782 1.788 1.788 weight 1.000 ! spec=HNH, no=996, id=932, vol=7.400000e+06
assign (resid 61 and name HN) (resid 56 and name HB2) 3.589 1.610 1.610 weight 1.000 ! spec=HNH, no=997, id=933, vol=1.010000e+07
assign (resid 57 and name HN) (resid 61 and name HN) 3.768 1.774 1.774 weight 1.000 ! spec=HNH, no=998, id=934, vol=7.570000e+06
assign (resid 61 and name HN) (resid 57 and name HA) 2.588 0.837 0.837 weight 1.000 ! spec=HNH, no=999, id=935, vol=7.210000e+07
assign (resid 59 and name HN) (resid 61 and name HN) 2.869 1.029 1.029 weight 1.000 ! spec=HNH, no=1000, id=936, vol=3.880000e+07
assign (resid 61 and name HN) (resid 59 and name HB2) 3.207 1.285 1.285 weight 1.000 ! spec=HNH, no=1001, id=937, vol=1.990000e+07
assign (resid 61 and name HN) (resid 59 and name HB1) 3.510 1.540 1.540 weight 1.000 ! spec=HNH, no=1002, id=938, vol=1.160000e+07
assign (resid 61 and name HN) (resid 60 and name HA2) 2.817 0.992 0.992 weight 1.000 ! spec=HNH, no=1004, id=940, vol=4.330000e+07
assign (resid 61 and name HN) (resid 60 and name HA1) 2.793 0.975 0.975 weight 1.000 ! spec=HNH, no=1005, id=941, vol=4.560000e+07
assign (resid 61 and name HN) (resid 61 and name HA) 2.778 0.965 0.965 weight 1.000 ! spec=HNH, no=1007, id=942, vol=4.710000e+07
assign (resid 61 and name HN) (resid 61 and name HB2) 2.427 0.737 0.737 weight 1.000 ! spec=HNH, no=1008, id=943, vol=1.060000e+08
    or (resid 61 and name HN) (resid 61 and name HB1)
    or (resid 61 and name HN) (resid 61 and name HB3)
assign (resid 61 and name HN) (resid 62 and name HN) 3.338 1.393 1.393 weight 1.000 ! spec=HNH, no=1009, id=944, vol=1.570000e+07
assign (resid 61 and name HN) (resid 155 and name HG21) 4.027 2.027 2.027 weight 1.000 ! spec=HNH, no=1010, id=945, vol=5.080000e+06
    or (resid 61 and name HN) (resid 155 and name HG22)
    or (resid 61 and name HN) (resid 155 and name HG23)
assign (resid 62 and name HN) (resid 29 and name HZ3) 3.912 1.913 1.913 weight 1.000 ! spec=HNH, no=1015, id=950, vol=6.040000e+06
assign (resid 62 and name HN) (resid 61 and name HA) 2.618 0.857 0.857 weight 1.000 ! spec=HNH, no=1017, id=952, vol=6.730000e+07
assign (resid 62 and name HN) (resid 62 and name HB2) 2.890 1.044 1.044 weight 1.000 ! spec=HNH, no=1021, id=955, vol=3.720000e+07
assign (resid 62 and name HN) (resid 62 and name HB1) 3.136 1.229 1.229 weight 1.000 ! spec=HNH, no=1022, id=956, vol=2.280000e+07
assign (resid 62 and name HN) (resid 153 and name HB2) 3.569 1.592 1.592 weight 1.000 ! spec=HNH, no=1025, id=959, vol=1.050000e+07
assign (resid 62 and name HN) (resid 153 and name HB1) 3.153 1.243 1.243 weight 1.000 ! spec=HNH, no=1026, id=960, vol=2.200000e+07
assign (resid 62 and name HN) (resid 154 and name HA) 4.295 2.306 2.306 weight 1.000 ! spec=HNH, no=1028, id=962, vol=3.450000e+06
assign (resid 62 and name HN) (resid 155 and name HA) 3.542 1.568 1.568 weight 1.000 ! spec=HNH, no=1031, id=965, vol=1.100000e+07
assign (resid 62 and name HN) (resid 155 and name HB) 3.387 1.434 1.434 weight 1.000 ! spec=HNH, no=1032, id=966, vol=1.440000e+07
assign (resid 62 and name HN) (resid 155 and name HG21) 3.594 1.615 1.615 weight 1.000 ! spec=HNH, no=1033, id=967, vol=1.000000e+07
    or (resid 62 and name HN) (resid 155 and name HG22)
    or (resid 62 and name HN) (resid 155 and name HG23)
assign (resid 62 and name HN) (resid 63 and name HN) 3.408 1.452 1.452 weight 1.000 ! spec=HNH, no=1040, id=973, vol=1.380000e+07
assign (resid 63 and name HN) (resid 62 and name HA) 2.524 0.796 0.796 weight 1.000 ! spec=HNH, no=1041, id=974, vol=8.380000e+07
assign (resid 63 and name HN) (resid 62 and name HB1) 2.984 1.113 1.113 weight 1.000 ! spec=HNH, no=1042, id=975, vol=3.070000e+07
assign (resid 63 and name HN) (resid 63 and name HB2) 2.723 0.927 0.927 weight 1.000 ! spec=HNH, no=1044, id=976, vol=5.320000e+07
assign (resid 63 and name HN) (resid 63 and name HG1) 3.531 1.559 1.559 weight 1.000 ! spec=HNH, no=1046, id=978, vol=1.120000e+07
assign (resid 63 and name HN) (resid 63 and name HE2) 3.507 1.538 1.538 weight 1.000 ! spec=HNH, no=1047, id=979, vol=1.160000e+07
    or (resid 63 and name HN) (resid 63 and name HE1)
    or (resid 63 and name HN) (resid 63 and name HE3)
assign (resid 63 and name HN) (resid 64 and name HN) 3.345 1.399 1.399 weight 1.000 ! spec=HNH, no=1048, id=980, vol=1.550000e+07
assign (resid 63 and name HN) (resid 64 and name HA) 4.024 2.024 2.024 weight 1.000 ! spec=HNH, no=1049, id=981, vol=5.100000e+06
assign (resid 63 and name HN) (resid 105 and name HN) 4.309 2.321 2.321 weight 1.000 ! spec=HNH, no=1051, id=983, vol=3.390000e+06
assign (resid 63 and name HN) (resid 151 and name HG21) 3.788 1.793 1.793 weight 1.000 ! spec=HNH, no=1052, id=984, vol=7.340000e+06
    or (resid 63 and name HN) (resid 151 and name HG22)
    or (resid 63 and name HN) (resid 151 and name HG23)
assign (resid 63 and name HN) (resid 153 and name HA) 3.979 1.979 1.979 weight 1.000 ! spec=HNH, no=1053, id=985, vol=5.460000e+06
assign (resid 64 and name HN) (resid 152 and name HG) 3.173 1.259 1.259 weight 1.000 ! spec=HNH, no=1057, id=989, vol=2.120000e+07
assign (resid 64 and name HN) (resid 63 and name HA) 2.513 0.789 0.789 weight 1.000 ! spec=HNH, no=1059, id=991, vol=8.600000e+07
assign (resid 64 and name HN) (resid 63 and name HB2) 3.067 1.176 1.176 weight 1.000 ! spec=HNH, no=1060, id=992, vol=2.600000e+07
assign (resid 64 and name HN) (resid 63 and name HB1) 2.691 0.905 0.905 weight 1.000 ! spec=HNH, no=1061, id=993, vol=5.700000e+07
assign (resid 64 and name HN) (resid 63 and name HE2) 3.356 1.408 1.408 weight 1.000 ! spec=HNH, no=1063, id=995, vol=1.520000e+07
    or (resid 64 and name HN) (resid 63 and name HE1)
    or (resid 64 and name HN) (resid 63 and name HE3)
assign (resid 64 and name HN) (resid 64 and name HA) 2.943 1.083 1.083 weight 1.000 ! spec=HNH, no=1065, id=996, vol=3.330000e+07
assign (resid 64 and name HN) (resid 64 and name HB) 2.463 0.758 0.758 weight 1.000 ! spec=HNH, no=1066, id=997, vol=9.710000e+07
assign (resid 64 and name HN) (resid 65 and name HN) 3.698 1.709 1.709 weight 1.000 ! spec=HNH, no=1069, id=1000, vol=8.480000e+06
assign (resid 64 and name HN) (resid 153 and name HA) 3.154 1.244 1.244 weight 1.000 ! spec=HNH, no=1070, id=1001, vol=2.200000e+07
assign (resid 65 and name HN) (resid 75 and name HD12) 3.579 1.601 1.601 weight 1.000 ! spec=HNH, no=1072, id=1003, vol=1.030000e+07
    or (resid 65 and name HN) (resid 75 and name HD11)
    or (resid 65 and name HN) (resid 75 and name HD13)
assign (resid 65 and name HN) (resid 154 and name HE2) 3.284 1.348 1.348 weight 1.000 ! spec=HNH, no=1076, id=1007, vol=1.730000e+07
    or (resid 65 and name HN) (resid 154 and name HE1)
assign (resid 65 and name HN) (resid 64 and name HA) 2.369 0.701 0.701 weight 1.000 ! spec=HNH, no=1081, id=1012, vol=1.230000e+08
assign (resid 65 and name HN) (resid 65 and name HB2) 3.660 1.674 1.674 weight 1.000 ! spec=HNH, no=1085, id=1015, vol=9.010000e+06
assign (resid 65 and name HN) (resid 91 and name HD12) 4.351 2.366 2.366 weight 1.000 ! spec=HNH, no=1088, id=1018, vol=3.190000e+06
    or (resid 65 and name HN) (resid 91 and name HD11)
    or (resid 65 and name HN) (resid 91 and name HD13)
assign (resid 65 and name HN) (resid 91 and name HD22) 4.493 2.523 2.523 weight 1.000 ! spec=HNH, no=1089, id=1019, vol=2.630000e+06
    or (resid 65 and name HN) (resid 91 and name HD21)
    or (resid 65 and name HN) (resid 91 and name HD23)
assign (resid 65 and name HN) (resid 92 and name HN) 3.530 1.558 1.558 weight 1.000 ! spec=HNH, no=1090, id=1020, vol=1.120000e+07
assign (resid 65 and name HN) (resid 154 and name HB2) 3.341 1.395 1.395 weight 1.000 ! spec=HNH, no=1092, id=1022, vol=1.560000e+07
assign (resid 65 and name HN) (resid 154 and name HG2) 3.489 1.522 1.522 weight 1.000 ! spec=HNH, no=1093, id=1023, vol=1.200000e+07
assign (resid 65 and name HN) (resid 66 and name HN) 3.687 1.699 1.699 weight 1.000 ! spec=HNH, no=1102, id=1031, vol=8.620000e+06
assign (resid 66 and name HN) (resid 65 and name HA) 2.651 0.878 0.878 weight 1.000 ! spec=HNH, no=1103, id=1032, vol=6.250000e+07
assign (resid 66 and name HN) (resid 65 and name HB2) 3.461 1.497 1.497 weight 1.000 ! spec=HNH, no=1104, id=1033, vol=1.260000e+07
assign (resid 66 and name HN) (resid 66 and name HA) 3.082 1.187 1.187 weight 1.000 ! spec=HNH, no=1106, id=1034, vol=2.530000e+07
assign (resid 66 and name HN) (resid 66 and name HB) 2.831 1.002 1.002 weight 1.000 ! spec=HNH, no=1107, id=1035, vol=4.210000e+07
assign (resid 66 and name HN) (resid 66 and name HG12) 3.268 1.335 1.335 weight 1.000 ! spec=HNH, no=1108, id=1036, vol=1.780000e+07
assign (resid 66 and name HN) (resid 66 and name HG11) 2.807 0.985 0.985 weight 1.000 ! spec=HNH, no=1109, id=1037, vol=4.430000e+07
assign (resid 66 and name HN) (resid 66 and name HD12) 3.160 1.248 1.248 weight 1.000 ! spec=HNH, no=1110, id=1038, vol=2.180000e+07
    or (resid 66 and name HN) (resid 66 and name HD11)
    or (resid 66 and name HN) (resid 66 and name HD13)
assign (resid 66 and name HN) (resid 66 and name HG22) 3.132 1.226 1.226 weight 1.000 ! spec=HNH, no=1111, id=1039, vol=2.290000e+07
    or (resid 66 and name HN) (resid 66 and name HG21)
    or (resid 66 and name HN) (resid 66 and name HG23)
assign (resid 66 and name HN) (resid 67 and name HN) 3.797 1.803 1.803 weight 1.000 ! spec=HNH, no=1112, id=1040, vol=7.220000e+06
assign (resid 66 and name HN) (resid 104 and name HH2) 2.997 1.122 1.122 weight 1.000 ! spec=HNH, no=1113, id=1041, vol=2.990000e+07
assign (resid 66 and name HN) (resid 138 and name HZ2) 3.493 1.525 1.525 weight 1.000 ! spec=HNH, no=1116, id=1044, vol=1.190000e+07
assign (resid 67 and name HN) (resid 66 and name HA) 2.372 0.703 0.703 weight 1.000 ! spec=HNH, no=1118, id=1046, vol=1.220000e+08
assign (resid 67 and name HN) (resid 66 and name HG12) 3.465 1.501 1.501 weight 1.000 ! spec=HNH, no=1121, id=1049, vol=1.250000e+07
assign (resid 67 and name HN) (resid 67 and name HA) 2.994 1.121 1.121 weight 1.000 ! spec=HNH, no=1122, id=1050, vol=3.010000e+07
assign (resid 67 and name HN) (resid 67 and name HB1) 3.120 1.217 1.217 weight 1.000 ! spec=HNH, no=1123, id=1051, vol=2.350000e+07
assign (resid 67 and name HN) (resid 68 and name HD21) 3.749 1.757 1.757 weight 1.000 ! spec=HNH, no=1125, id=1053, vol=7.800000e+06
assign (resid 68 and name HN) (resid 71 and name HA) 3.759 1.766 1.766 weight 1.000 ! spec=HNH, no=1128, id=1056, vol=7.680000e+06
assign (resid 68 and name HN) (resid 72 and name HA) 3.799 1.804 1.804 weight 1.000 ! spec=HNH, no=1129, id=1057, vol=7.210000e+06
assign (resid 68 and name HN) (resid 112 and name HN) 4.023 2.023 2.023 weight 1.000 ! spec=HNH, no=1133, id=1060, vol=5.110000e+06
assign (resid 68 and name HN) (resid 66 and name HA) 3.035 1.151 1.151 weight 1.000 ! spec=HNH, no=1136, id=1063, vol=2.770000e+07
assign (resid 68 and name HN) (resid 66 and name HB) 3.555 1.580 1.580 weight 1.000 ! spec=HNH, no=1137, id=1064, vol=1.070000e+07
assign (resid 68 and name HN) (resid 66 and name HG12) 3.640 1.656 1.656 weight 1.000 ! spec=HNH, no=1138, id=1065, vol=9.320000e+06
assign (resid 68 and name HN) (resid 66 and name HD12) 3.616 1.635 1.635 weight 1.000 ! spec=HNH, no=1139, id=1066, vol=9.680000e+06
    or (resid 68 and name HN) (resid 66 and name HD11)
    or (resid 68 and name HN) (resid 66 and name HD13)
assign (resid 68 and name HN) (resid 66 and name HG22) 2.372 0.704 0.704 weight 1.000 ! spec=HNH, no=1140, id=1067, vol=1.210000e+08
    or (resid 68 and name HN) (resid 66 and name HG21)
    or (resid 68 and name HN) (resid 66 and name HG23)
assign (resid 67 and name HN) (resid 68 and name HN) 2.461 0.757 0.757 weight 1.000 ! spec=HNH, no=1141, id=1068, vol=9.760000e+07
assign (resid 68 and name HN) (resid 67 and name HB2) 3.290 1.353 1.353 weight 1.000 ! spec=HNH, no=1143, id=1070, vol=1.710000e+07
assign (resid 68 and name HN) (resid 68 and name HA) 2.730 0.931 0.931 weight 1.000 ! spec=HNH, no=1145, id=1071, vol=5.240000e+07
assign (resid 68 and name HN) (resid 68 and name HB2) 3.194 1.276 1.276 weight 1.000 ! spec=HNH, no=1146, id=1072, vol=2.040000e+07
assign (resid 68 and name HN) (resid 68 and name HB1) 3.099 1.200 1.200 weight 1.000 ! spec=HNH, no=1147, id=1073, vol=2.450000e+07
assign (resid 68 and name HN) (resid 68 and name HD21) 3.462 1.498 1.498 weight 1.000 ! spec=HNH, no=1148, id=1074, vol=1.260000e+07
assign (resid 68 and name HN) (resid 69 and name HN) 3.217 1.293 1.293 weight 1.000 ! spec=HNH, no=1149, id=1075, vol=1.960000e+07
assign (resid 68 and name HN) (resid 71 and name HN) 3.169 1.255 1.255 weight 1.000 ! spec=HNH, no=1151, id=1077, vol=2.140000e+07
assign (resid 68 and name HN) (resid 71 and name HB2) 2.534 0.803 0.803 weight 1.000 ! spec=HNH, no=1152, id=1078, vol=8.180000e+07
assign (resid 68 and name HN) (resid 72 and name HB2) 3.203 1.282 1.282 weight 1.000 ! spec=HNH, no=1153, id=1079, vol=2.010000e+07
assign (resid 68 and name HN) (resid 112 and name HB2) 3.633 1.650 1.650 weight 1.000 ! spec=HNH, no=1154, id=1080, vol=9.420000e+06
assign (resid 68 and name HD21) (resid 33 and name HE22) 3.661 1.676 1.676 weight 1.000 ! spec=HNH, no=1157, id=1083, vol=8.990000e+06
assign (resid 68 and name HD22) (resid 33 and name HE22) 3.540 1.567 1.567 weight 1.000 ! spec=HNH, no=1162, id=1088, vol=1.100000e+07
assign (resid 68 and name HD21) (resid 67 and name HB1) 3.677 1.690 1.690 weight 1.000 ! spec=HNH, no=1163, id=1089, vol=8.760000e+06
assign (resid 68 and name HD22) (resid 67 and name HB1) 4.056 2.056 2.056 weight 1.000 ! spec=HNH, no=1164, id=1090, vol=4.870000e+06
assign (resid 68 and name HD22) (resid 68 and name HA) 3.753 1.761 1.761 weight 1.000 ! spec=HNH, no=1165, id=1091, vol=7.750000e+06
assign (resid 68 and name HD21) (resid 68 and name HB2) 2.914 1.061 1.061 weight 1.000 ! spec=HNH, no=1166, id=1092, vol=3.540000e+07
assign (resid 68 and name HD22) (resid 68 and name HB2) 3.231 1.305 1.305 weight 1.000 ! spec=HNH, no=1167, id=1093, vol=1.900000e+07
assign (resid 68 and name HD21) (resid 68 and name HB1) 2.704 0.914 0.914 weight 1.000 ! spec=HNH, no=1168, id=1094, vol=5.550000e+07
assign (resid 68 and name HD22) (resid 68 and name HD21) 2.058 0.529 0.529 weight 1.000 ! spec=HNH, no=1172, id=1097, vol=2.850000e+08
assign (resid 68 and name HD22) (resid 70 and name HN) 3.931 1.932 1.932 weight 1.000 ! spec=HNH, no=1174, id=1098, vol=5.870000e+06
assign (resid 68 and name HD22) (resid 70 and name HB1) 3.669 1.683 1.683 weight 1.000 ! spec=HNH, no=1175, id=1099, vol=8.880000e+06
assign (resid 68 and name HD21) (resid 71 and name HN) 3.952 1.952 1.952 weight 1.000 ! spec=HNH, no=1176, id=1100, vol=5.680000e+06
assign (resid 68 and name HD22) (resid 71 and name HN) 3.955 1.955 1.955 weight 1.000 ! spec=HNH, no=1177, id=1101, vol=5.660000e+06
assign (resid 68 and name HD21) (resid 71 and name HB2) 3.481 1.514 1.514 weight 1.000 ! spec=HNH, no=1178, id=1102, vol=1.220000e+07
assign (resid 68 and name HD22) (resid 71 and name HB2) 3.513 1.543 1.543 weight 1.000 ! spec=HNH, no=1179, id=1103, vol=1.150000e+07
assign (resid 69 and name HN) (resid 68 and name HA) 2.438 0.743 0.743 weight 1.000 ! spec=HNH, no=1180, id=1104, vol=1.030000e+08
assign (resid 69 and name HN) (resid 112 and name HE1) 3.163 1.251 1.251 weight 1.000 ! spec=HNH, no=1185, id=1109, vol=2.160000e+07
assign (resid 70 and name HN) (resid 68 and name HB1) 2.494 0.777 0.777 weight 1.000 ! spec=HNH, no=1186, id=1110, vol=9.010000e+07
assign (resid 70 and name HN) (resid 69 and name HA) 2.826 0.998 0.998 weight 1.000 ! spec=HNH, no=1187, id=1111, vol=4.260000e+07
assign (resid 70 and name HN) (resid 69 and name HG2) 2.332 0.680 0.680 weight 1.000 ! spec=HNH, no=1188, id=1112, vol=1.350000e+08
assign (resid 70 and name HN) (resid 69 and name HG1) 2.582 0.833 0.833 weight 1.000 ! spec=HNH, no=1189, id=1113, vol=7.310000e+07
assign (resid 70 and name HN) (resid 70 and name HA) 2.524 0.796 0.796 weight 1.000 ! spec=HNH, no=1191, id=1114, vol=8.390000e+07
assign (resid 70 and name HN) (resid 70 and name HB1) 2.266 0.642 0.642 weight 1.000 ! spec=HNH, no=1193, id=1116, vol=1.600000e+08
assign (resid 70 and name HN) (resid 71 and name HN) 2.434 0.740 0.740 weight 1.000 ! spec=HNH, no=1194, id=1117, vol=1.040000e+08
assign (resid 70 and name HN) (resid 72 and name HN) 3.491 1.524 1.524 weight 1.000 ! spec=HNH, no=1196, id=1119, vol=1.200000e+07
assign (resid 71 and name HN) (resid 32 and name HZ) 3.291 1.354 1.354 weight 1.000 ! spec=HNH, no=1201, id=1124, vol=1.710000e+07
assign (resid 71 and name HN) (resid 74 and name HN) 3.701 1.712 1.712 weight 1.000 ! spec=HNH, no=1203, id=1126, vol=8.430000e+06
assign (resid 71 and name HN) (resid 67 and name HN) 3.685 1.697 1.697 weight 1.000 ! spec=HNH, no=1204, id=1127, vol=8.660000e+06
assign (resid 71 and name HN) (resid 66 and name HG12) 3.987 1.987 1.987 weight 1.000 ! spec=HNH, no=1209, id=1132, vol=5.400000e+06
assign (resid 71 and name HN) (resid 66 and name HD12) 4.002 2.002 2.002 weight 1.000 ! spec=HNH, no=1211, id=1134, vol=5.280000e+06
    or (resid 71 and name HN) (resid 66 and name HD11)
    or (resid 71 and name HN) (resid 66 and name HD13)
assign (resid 71 and name HN) (resid 66 and name HG22) 3.252 1.322 1.322 weight 1.000 ! spec=HNH, no=1212, id=1135, vol=1.830000e+07
    or (resid 71 and name HN) (resid 66 and name HG21)
    or (resid 71 and name HN) (resid 66 and name HG23)
assign (resid 71 and name HN) (resid 68 and name HA) 3.825 1.829 1.829 weight 1.000 ! spec=HNH, no=1213, id=1136, vol=6.920000e+06
assign (resid 71 and name HN) (resid 68 and name HB2) 3.669 1.683 1.683 weight 1.000 ! spec=HNH, no=1214, id=1137, vol=8.870000e+06
assign (resid 71 and name HN) (resid 68 and name HB1) 3.753 1.761 1.761 weight 1.000 ! spec=HNH, no=1215, id=1138, vol=7.750000e+06
assign (resid 71 and name HN) (resid 70 and name HA) 2.950 1.088 1.088 weight 1.000 ! spec=HNH, no=1218, id=1141, vol=3.290000e+07
assign (resid 71 and name HN) (resid 70 and name HB1) 2.330 0.679 0.679 weight 1.000 ! spec=HNH, no=1219, id=1142, vol=1.350000e+08
assign (resid 71 and name HN) (resid 71 and name HA) 2.805 0.984 0.984 weight 1.000 ! spec=HNH, no=1222, id=1144, vol=4.440000e+07
assign (resid 71 and name HN) (resid 71 and name HB2) 2.303 0.663 0.663 weight 1.000 ! spec=HNH, no=1223, id=1145, vol=1.450000e+08
assign (resid 71 and name HN) (resid 72 and name HN) 2.650 0.878 0.878 weight 1.000 ! spec=HNH, no=1224, id=1146, vol=6.260000e+07
assign (resid 71 and name HN) (resid 72 and name HB1) 3.518 1.547 1.547 weight 1.000 ! spec=HNH, no=1225, id=1147, vol=1.140000e+07
assign (resid 72 and name HN) (resid 73 and name HB2) 3.118 1.215 1.215 weight 1.000 ! spec=HNH, no=1228, id=1150, vol=2.360000e+07
    or (resid 72 and name HN) (resid 73 and name HB1)
    or (resid 72 and name HN) (resid 73 and name HB3)
assign (resid 72 and name HN) (resid 138 and name HZ2) 3.751 1.759 1.759 weight 1.000 ! spec=HNH, no=1232, id=1153, vol=7.770000e+06
assign (resid 72 and name HN) (resid 69 and name HA) 3.021 1.141 1.141 weight 1.000 ! spec=HNH, no=1234, id=1155, vol=2.850000e+07
assign (resid 72 and name HN) (resid 66 and name HG12) 3.554 1.579 1.579 weight 1.000 ! spec=HNH, no=1236, id=1157, vol=1.080000e+07
assign (resid 72 and name HN) (resid 66 and name HD12) 3.527 1.555 1.555 weight 1.000 ! spec=HNH, no=1238, id=1159, vol=1.130000e+07
    or (resid 72 and name HN) (resid 66 and name HD11)
    or (resid 72 and name HN) (resid 66 and name HD13)
assign (resid 68 and name HN) (resid 72 and name HN) 3.098 1.200 1.200 weight 1.000 ! spec=HNH, no=1240, id=1161, vol=2.450000e+07
assign (resid 72 and name HN) (resid 71 and name HA) 3.225 1.300 1.300 weight 1.000 ! spec=HNH, no=1242, id=1163, vol=1.930000e+07
assign (resid 72 and name HN) (resid 71 and name HB2) 2.673 0.893 0.893 weight 1.000 ! spec=HNH, no=1243, id=1164, vol=5.940000e+07
assign (resid 72 and name HN) (resid 72 and name HA) 2.638 0.870 0.870 weight 1.000 ! spec=HNH, no=1245, id=1165, vol=6.420000e+07
assign (resid 72 and name HN) (resid 72 and name HB2) 2.408 0.725 0.725 weight 1.000 ! spec=HNH, no=1246, id=1166, vol=1.110000e+08
assign (resid 72 and name HN) (resid 72 and name HB1) 2.572 0.827 0.827 weight 1.000 ! spec=HNH, no=1247, id=1167, vol=7.480000e+07
assign (resid 72 and name HN) (resid 72 and name HD21) 3.143 1.235 1.235 weight 1.000 ! spec=HNH, no=1248, id=1168, vol=2.250000e+07
assign (resid 72 and name HN) (resid 73 and name HN) 2.624 0.861 0.861 weight 1.000 ! spec=HNH, no=1250, id=1170, vol=6.640000e+07
assign (resid 72 and name HD21) (resid 69 and name HB1) 3.922 1.923 1.923 weight 1.000 ! spec=HNH, no=1256, id=1176, vol=5.950000e+06
assign (resid 72 and name HD21) (resid 76 and name HG) 3.925 1.926 1.926 weight 1.000 ! spec=HNH, no=1258, id=1178, vol=5.920000e+06
assign (resid 72 and name HD22) (resid 76 and name HB1) 3.903 1.904 1.904 weight 1.000 ! spec=HNH, no=1260, id=1180, vol=6.130000e+06
assign (resid 72 and name HD21) (resid 66 and name HG22) 3.684 1.697 1.697 weight 1.000 ! spec=HNH, no=1268, id=1188, vol=8.660000e+06
    or (resid 72 and name HD21) (resid 66 and name HG21)
    or (resid 72 and name HD21) (resid 66 and name HG23)
assign (resid 72 and name HD22) (resid 66 and name HG22) 3.812 1.816 1.816 weight 1.000 ! spec=HNH, no=1269, id=1189, vol=7.060000e+06
    or (resid 72 and name HD22) (resid 66 and name HG21)
    or (resid 72 and name HD22) (resid 66 and name HG23)
assign (resid 72 and name HD21) (resid 69 and name HA) 3.693 1.704 1.704 weight 1.000 ! spec=HNH, no=1270, id=1190, vol=8.540000e+06
assign (resid 72 and name HD21) (resid 72 and name HA) 3.287 1.351 1.351 weight 1.000 ! spec=HNH, no=1272, id=1192, vol=1.720000e+07
assign (resid 72 and name HD21) (resid 72 and name HB1) 2.773 0.961 0.961 weight 1.000 ! spec=HNH, no=1276, id=1196, vol=4.760000e+07
assign (resid 72 and name HD22) (resid 72 and name HB1) 3.078 1.184 1.184 weight 1.000 ! spec=HNH, no=1277, id=1197, vol=2.550000e+07
assign (resid 72 and name HD22) (resid 72 and name HD21) 2.194 0.602 0.602 weight 1.000 ! spec=HNH, no=1280, id=1199, vol=1.940000e+08
assign (resid 72 and name HD21) (resid 73 and name HN) 3.465 1.501 1.501 weight 1.000 ! spec=HNH, no=1282, id=1200, vol=1.250000e+07
assign (resid 72 and name HD21) (resid 73 and name HA) 3.420 1.462 1.462 weight 1.000 ! spec=HNH, no=1284, id=1202, vol=1.350000e+07
assign (resid 72 and name HD21) (resid 73 and name HB2) 3.139 1.232 1.232 weight 1.000 ! spec=HNH, no=1285, id=1203, vol=2.260000e+07
    or (resid 72 and name HD21) (resid 73 and name HB1)
    or (resid 72 and name HD21) (resid 73 and name HB3)
assign (resid 72 and name HD22) (resid 114 and name HB2) 4.088 2.089 2.089 weight 1.000 ! spec=HNH, no=1287, id=1205, vol=4.640000e+06
assign (resid 72 and name HD21) (resid 114 and name HE1) 3.273 1.339 1.339 weight 1.000 ! spec=HNH, no=1290, id=1208, vol=1.760000e+07
assign (resid 72 and name HD22) (resid 114 and name HE1) 3.378 1.427 1.427 weight 1.000 ! spec=HNH, no=1291, id=1209, vol=1.460000e+07
assign (resid 72 and name HD21) (resid 114 and name HG1) 3.472 1.507 1.507 weight 1.000 ! spec=HNH, no=1292, id=1210, vol=1.240000e+07
assign (resid 72 and name HD22) (resid 114 and name HG1) 3.438 1.478 1.478 weight 1.000 ! spec=HNH, no=1293, id=1211, vol=1.310000e+07
assign (resid 72 and name HD21) (resid 131 and name HD12) 2.799 0.980 0.980 weight 1.000 ! spec=HNH, no=1294, id=1212, vol=4.500000e+07
    or (resid 72 and name HD21) (resid 131 and name HD11)
    or (resid 72 and name HD21) (resid 131 and name HD13)
assign (resid 72 and name HD22) (resid 136 and name HN) 4.334 2.348 2.348 weight 1.000 ! spec=HNH, no=1297, id=1215, vol=3.270000e+06
assign (resid 72 and name HD21) (resid 136 and name HA2) 3.716 1.726 1.726 weight 1.000 ! spec=HNH, no=1298, id=1216, vol=8.230000e+06
assign (resid 72 and name HD21) (resid 136 and name HA1) 3.465 1.501 1.501 weight 1.000 ! spec=HNH, no=1300, id=1218, vol=1.250000e+07
assign (resid 72 and name HD22) (resid 138 and name HE1) 3.453 1.490 1.490 weight 1.000 ! spec=HNH, no=1304, id=1222, vol=1.280000e+07
assign (resid 73 and name HN) (resid 69 and name HA) 3.199 1.279 1.279 weight 1.000 ! spec=HNH, no=1309, id=1227, vol=2.020000e+07
assign (resid 73 and name HN) (resid 131 and name HD22) 3.869 1.871 1.871 weight 1.000 ! spec=HNH, no=1310, id=1228, vol=6.460000e+06
    or (resid 73 and name HN) (resid 131 and name HD21)
    or (resid 73 and name HN) (resid 131 and name HD23)
assign (resid 73 and name HN) (resid 76 and name HD12) 3.339 1.394 1.394 weight 1.000 ! spec=HNH, no=1317, id=1235, vol=1.560000e+07
    or (resid 73 and name HN) (resid 76 and name HD11)
    or (resid 73 and name HN) (resid 76 and name HD13)
assign (resid 73 and name HN) (resid 76 and name HN) 3.433 1.473 1.473 weight 1.000 ! spec=HNH, no=1320, id=1238, vol=1.320000e+07
assign (resid 73 and name HN) (resid 66 and name HG22) 3.297 1.359 1.359 weight 1.000 ! spec=HNH, no=1321, id=1239, vol=1.690000e+07
    or (resid 73 and name HN) (resid 66 and name HG21)
    or (resid 73 and name HN) (resid 66 and name HG23)
assign (resid 73 and name HN) (resid 72 and name HB2) 2.711 0.919 0.919 weight 1.000 ! spec=HNH, no=1326, id=1244, vol=5.450000e+07
assign (resid 73 and name HN) (resid 72 and name HB1) 2.566 0.823 0.823 weight 1.000 ! spec=HNH, no=1327, id=1245, vol=7.580000e+07
assign (resid 72 and name HD22) (resid 73 and name HN) 3.567 1.591 1.591 weight 1.000 ! spec=HNH, no=1328, id=1246, vol=1.050000e+07
assign (resid 73 and name HN) (resid 73 and name HA) 2.410 0.726 0.726 weight 1.000 ! spec=HNH, no=1330, id=1247, vol=1.110000e+08
assign (resid 73 and name HN) (resid 74 and name HN) 2.552 0.814 0.814 weight 1.000 ! spec=HNH, no=1332, id=1249, vol=7.850000e+07
assign (resid 73 and name HN) (resid 74 and name HD1) 4.159 2.162 2.162 weight 1.000 ! spec=HNH, no=1334, id=1251, vol=4.180000e+06
assign (resid 73 and name HN) (resid 112 and name HE1) 3.769 1.776 1.776 weight 1.000 ! spec=HNH, no=1335, id=1252, vol=7.550000e+06
assign (resid 74 and name HN) (resid 71 and name HA) 2.928 1.071 1.071 weight 1.000 ! spec=HNH, no=1348, id=1264, vol=3.440000e+07
assign (resid 74 and name HN) (resid 72 and name HN) 3.354 1.406 1.406 weight 1.000 ! spec=HNH, no=1350, id=1266, vol=1.520000e+07
assign (resid 74 and name HN) (resid 72 and name HB1) 3.666 1.680 1.680 weight 1.000 ! spec=HNH, no=1351, id=1267, vol=8.930000e+06
assign (resid 74 and name HN) (resid 74 and name HA) 2.421 0.733 0.733 weight 1.000 ! spec=HNH, no=1355, id=1270, vol=1.080000e+08
assign (resid 74 and name HN) (resid 74 and name HB2) 2.235 0.624 0.624 weight 1.000 ! spec=HNH, no=1356, id=1271, vol=1.740000e+08
assign (resid 74 and name HN) (resid 74 and name HB1) 2.264 0.641 0.641 weight 1.000 ! spec=HNH, no=1357, id=1272, vol=1.610000e+08
assign (resid 74 and name HN) (resid 75 and name HG12) 3.546 1.572 1.572 weight 1.000 ! spec=HNH, no=1361, id=1276, vol=1.090000e+07
assign (resid 74 and name HN) (resid 76 and name HB1) 3.472 1.507 1.507 weight 1.000 ! spec=HNH, no=1363, id=1278, vol=1.240000e+07
assign (resid 75 and name HN) (resid 76 and name HB1) 3.159 1.248 1.248 weight 1.000 ! spec=HNH, no=1365, id=1280, vol=2.180000e+07
assign (resid 75 and name HN) (resid 73 and name HN) 3.722 1.732 1.732 weight 1.000 ! spec=HNH, no=1366, id=1281, vol=8.150000e+06
assign (resid 75 and name HN) (resid 32 and name HD1) 4.039 2.039 2.039 weight 1.000 ! spec=HNH, no=1372, id=1287, vol=4.990000e+06
    or (resid 75 and name HN) (resid 32 and name HD2)
assign (resid 75 and name HN) (resid 71 and name HA) 3.473 1.508 1.508 weight 1.000 ! spec=HNH, no=1376, id=1291, vol=1.230000e+07
assign (resid 75 and name HN) (resid 74 and name HB1) 2.770 0.959 0.959 weight 1.000 ! spec=HNH, no=1379, id=1294, vol=4.800000e+07
assign (resid 75 and name HN) (resid 74 and name HE1) 3.787 1.792 1.792 weight 1.000 ! spec=HNH, no=1380, id=1295, vol=7.350000e+06
assign (resid 75 and name HN) (resid 74 and name HD1) 2.949 1.087 1.087 weight 1.000 ! spec=HNH, no=1381, id=1296, vol=3.290000e+07
assign (resid 75 and name HN) (resid 75 and name HA) 2.782 0.967 0.967 weight 1.000 ! spec=HNH, no=1383, id=1297, vol=4.680000e+07
assign (resid 75 and name HN) (resid 75 and name HB) 2.375 0.705 0.705 weight 1.000 ! spec=HNH, no=1384, id=1298, vol=1.210000e+08
assign (resid 75 and name HN) (resid 75 and name HG12) 2.752 0.946 0.946 weight 1.000 ! spec=HNH, no=1385, id=1299, vol=4.990000e+07
assign (resid 75 and name HN) (resid 75 and name HG11) 2.574 0.828 0.828 weight 1.000 ! spec=HNH, no=1386, id=1300, vol=7.440000e+07
assign (resid 75 and name HN) (resid 76 and name HA) 3.837 1.841 1.841 weight 1.000 ! spec=HNH, no=1390, id=1304, vol=6.790000e+06
assign (resid 76 and name HN) (resid 74 and name HD1) 4.205 2.210 2.210 weight 1.000 ! spec=HNH, no=1397, id=1310, vol=3.920000e+06
    or (resid 76 and name HN) (resid 74 and name HD2)
assign (resid 76 and name HN) (resid 73 and name HA) 2.778 0.965 0.965 weight 1.000 ! spec=HNH, no=1401, id=1314, vol=4.710000e+07
assign (resid 76 and name HN) (resid 74 and name HB1) 3.458 1.494 1.494 weight 1.000 ! spec=HNH, no=1404, id=1317, vol=1.270000e+07
assign (resid 75 and name HN) (resid 76 and name HN) 2.439 0.744 0.744 weight 1.000 ! spec=HNH, no=1405, id=1318, vol=1.030000e+08
assign (resid 76 and name HN) (resid 75 and name HA) 3.106 1.206 1.206 weight 1.000 ! spec=HNH, no=1406, id=1319, vol=2.410000e+07
assign (resid 76 and name HN) (resid 75 and name HB) 2.566 0.823 0.823 weight 1.000 ! spec=HNH, no=1407, id=1320, vol=7.600000e+07
assign (resid 76 and name HN) (resid 75 and name HG12) 3.343 1.397 1.397 weight 1.000 ! spec=HNH, no=1408, id=1321, vol=1.550000e+07
assign (resid 76 and name HN) (resid 76 and name HA) 2.629 0.864 0.864 weight 1.000 ! spec=HNH, no=1410, id=1322, vol=6.550000e+07
assign (resid 76 and name HN) (resid 76 and name HB1) 2.242 0.628 0.628 weight 1.000 ! spec=HNH, no=1412, id=1324, vol=1.710000e+08
assign (resid 76 and name HN) (resid 77 and name HN) 2.445 0.747 0.747 weight 1.000 ! spec=HNH, no=1414, id=1326, vol=1.010000e+08
assign (resid 76 and name HN) (resid 77 and name HB1) 3.552 1.577 1.577 weight 1.000 ! spec=HNH, no=1415, id=1327, vol=1.080000e+07
assign (resid 76 and name HN) (resid 78 and name HB) 3.823 1.827 1.827 weight 1.000 ! spec=HNH, no=1416, id=1328, vol=6.940000e+06
assign (resid 76 and name HN) (resid 131 and name HD22) 2.629 0.864 0.864 weight 1.000 ! spec=HNH, no=1418, id=1330, vol=6.560000e+07
    or (resid 76 and name HN) (resid 131 and name HD21)
    or (resid 76 and name HN) (resid 131 and name HD23)
assign (resid 77 and name HN) (resid 78 and name HG21) 4.030 2.030 2.030 weight 1.000 ! spec=HNH, no=1419, id=1331, vol=5.060000e+06
    or (resid 77 and name HN) (resid 78 and name HG22)
    or (resid 77 and name HN) (resid 78 and name HG23)
assign (resid 77 and name HN) (resid 75 and name HG12) 4.092 2.093 2.093 weight 1.000 ! spec=HNH, no=1423, id=1334, vol=4.610000e+06
assign (resid 77 and name HN) (resid 74 and name HA) 2.827 0.999 0.999 weight 1.000 ! spec=HNH, no=1428, id=1339, vol=4.250000e+07
assign (resid 77 and name HN) (resid 75 and name HA) 3.443 1.482 1.482 weight 1.000 ! spec=HNH, no=1429, id=1340, vol=1.300000e+07
assign (resid 77 and name HN) (resid 76 and name HA) 3.051 1.163 1.163 weight 1.000 ! spec=HNH, no=1431, id=1342, vol=2.690000e+07
assign (resid 77 and name HN) (resid 76 and name HB2) 2.592 0.840 0.840 weight 1.000 ! spec=HNH, no=1432, id=1343, vol=7.150000e+07
assign (resid 77 and name HN) (resid 76 and name HB1) 2.532 0.802 0.802 weight 1.000 ! spec=HNH, no=1433, id=1344, vol=8.210000e+07
assign (resid 77 and name HN) (resid 76 and name HD12) 3.116 1.214 1.214 weight 1.000 ! spec=HNH, no=1434, id=1345, vol=2.370000e+07
    or (resid 77 and name HN) (resid 76 and name HD11)
    or (resid 77 and name HN) (resid 76 and name HD13)
assign (resid 77 and name HN) (resid 77 and name HA) 2.514 0.790 0.790 weight 1.000 ! spec=HNH, no=1436, id=1346, vol=8.570000e+07
assign (resid 77 and name HN) (resid 77 and name HB1) 2.251 0.633 0.633 weight 1.000 ! spec=HNH, no=1438, id=1348, vol=1.670000e+08
assign (resid 77 and name HN) (resid 78 and name HA) 3.652 1.668 1.668 weight 1.000 ! spec=HNH, no=1440, id=1350, vol=9.120000e+06
assign (resid 77 and name HN) (resid 78 and name HB) 3.249 1.320 1.320 weight 1.000 ! spec=HNH, no=1441, id=1351, vol=1.840000e+07
assign (resid 78 and name HN) (resid 76 and name HN) 3.121 1.218 1.218 weight 1.000 ! spec=HNH, no=1443, id=1353, vol=2.340000e+07
assign (resid 78 and name HN) (resid 76 and name HD22) 4.005 2.005 2.005 weight 1.000 ! spec=HNH, no=1444, id=1354, vol=5.250000e+06
    or (resid 78 and name HN) (resid 76 and name HD21)
    or (resid 78 and name HN) (resid 76 and name HD23)
assign (resid 78 and name HN) (resid 76 and name HB1) 3.090 1.194 1.194 weight 1.000 ! spec=HNH, no=1450, id=1360, vol=2.490000e+07
assign (resid 78 and name HN) (resid 75 and name HA) 3.057 1.168 1.168 weight 1.000 ! spec=HNH, no=1452, id=1362, vol=2.660000e+07
assign (resid 77 and name HN) (resid 78 and name HN) 2.530 0.800 0.800 weight 1.000 ! spec=HNH, no=1454, id=1364, vol=8.250000e+07
assign (resid 78 and name HN) (resid 77 and name HB1) 2.805 0.984 0.984 weight 1.000 ! spec=HNH, no=1457, id=1367, vol=4.440000e+07
assign (resid 78 and name HN) (resid 78 and name HA) 2.590 0.839 0.839 weight 1.000 ! spec=HNH, no=1459, id=1368, vol=7.170000e+07
assign (resid 78 and name HN) (resid 78 and name HB) 2.264 0.641 0.641 weight 1.000 ! spec=HNH, no=1460, id=1369, vol=1.610000e+08
assign (resid 78 and name HN) (resid 78 and name HG21) 2.893 1.046 1.046 weight 1.000 ! spec=HNH, no=1461, id=1370, vol=3.700000e+07
    or (resid 78 and name HN) (resid 78 and name HG22)
    or (resid 78 and name HN) (resid 78 and name HG23)
assign (resid 78 and name HN) (resid 79 and name HB1) 3.235 1.308 1.308 weight 1.000 ! spec=HNH, no=1465, id=1374, vol=1.890000e+07
assign (resid 78 and name HN) (resid 79 and name HD22) 3.362 1.413 1.413 weight 1.000 ! spec=HNH, no=1466, id=1375, vol=1.500000e+07
    or (resid 78 and name HN) (resid 79 and name HD21)
    or (resid 78 and name HN) (resid 79 and name HD23)
assign (resid 79 and name HN) (resid 79 and name HB2) 2.599 0.844 0.844 weight 1.000 ! spec=HNH, no=1467, id=1376, vol=7.030000e+07
assign (resid 79 and name HN) (resid 81 and name HN) 3.305 1.365 1.365 weight 1.000 ! spec=HNH, no=1469, id=1378, vol=1.660000e+07
assign (resid 79 and name HN) (resid 83 and name HZ3) 3.694 1.706 1.706 weight 1.000 ! spec=HNH, no=1471, id=1380, vol=8.520000e+06
assign (resid 78 and name HN) (resid 79 and name HN) 2.360 0.696 0.696 weight 1.000 ! spec=HNH, no=1474, id=1383, vol=1.250000e+08
assign (resid 79 and name HN) (resid 78 and name HA) 2.994 1.121 1.121 weight 1.000 ! spec=HNH, no=1475, id=1384, vol=3.010000e+07
assign (resid 79 and name HN) (resid 78 and name HB) 2.572 0.827 0.827 weight 1.000 ! spec=HNH, no=1476, id=1385, vol=7.480000e+07
assign (resid 79 and name HN) (resid 78 and name HG21) 3.109 1.208 1.208 weight 1.000 ! spec=HNH, no=1477, id=1386, vol=2.400000e+07
    or (resid 79 and name HN) (resid 78 and name HG22)
    or (resid 79 and name HN) (resid 78 and name HG23)
assign (resid 79 and name HN) (resid 79 and name HA) 2.747 0.943 0.943 weight 1.000 ! spec=HNH, no=1478, id=1387, vol=5.040000e+07
assign (resid 79 and name HN) (resid 79 and name HB1) 2.378 0.707 0.707 weight 1.000 ! spec=HNH, no=1479, id=1388, vol=1.200000e+08
assign (resid 79 and name HN) (resid 79 and name HD22) 2.705 0.915 0.915 weight 1.000 ! spec=HNH, no=1481, id=1390, vol=5.530000e+07
    or (resid 79 and name HN) (resid 79 and name HD21)
    or (resid 79 and name HN) (resid 79 and name HD23)
assign (resid 79 and name HN) (resid 80 and name HN) 2.379 0.707 0.707 weight 1.000 ! spec=HNH, no=1482, id=1391, vol=1.200000e+08
assign (resid 80 and name HN) (resid 76 and name HA) 3.707 1.718 1.718 weight 1.000 ! spec=HNH, no=1488, id=1397, vol=8.350000e+06
assign (resid 80 and name HN) (resid 79 and name HD12) 3.848 1.851 1.851 weight 1.000 ! spec=HNH, no=1492, id=1401, vol=6.670000e+06
    or (resid 80 and name HN) (resid 79 and name HD11)
    or (resid 80 and name HN) (resid 79 and name HD13)
assign (resid 80 and name HN) (resid 80 and name HB2) 2.465 0.760 0.760 weight 1.000 ! spec=HNH, no=1496, id=1404, vol=9.650000e+07
assign (resid 80 and name HN) (resid 80 and name HG2) 2.873 1.032 1.032 weight 1.000 ! spec=HNH, no=1497, id=1405, vol=3.850000e+07
assign (resid 80 and name HN) (resid 82 and name HN) 3.456 1.493 1.493 weight 1.000 ! spec=HNH, no=1501, id=1409, vol=1.270000e+07
assign (resid 80 and name HN) (resid 133 and name HD12) 3.355 1.407 1.407 weight 1.000 ! spec=HNH, no=1502, id=1410, vol=1.520000e+07
    or (resid 80 and name HN) (resid 133 and name HD11)
    or (resid 80 and name HN) (resid 133 and name HD13)
assign (resid 81 and name HN) (resid 78 and name HA) 3.174 1.260 1.260 weight 1.000 ! spec=HNH, no=1506, id=1414, vol=2.120000e+07
assign (resid 80 and name HN) (resid 81 and name HN) 2.385 0.711 0.711 weight 1.000 ! spec=HNH, no=1508, id=1416, vol=1.180000e+08
assign (resid 81 and name HN) (resid 81 and name HA) 2.454 0.753 0.753 weight 1.000 ! spec=HNH, no=1511, id=1418, vol=9.920000e+07
assign (resid 81 and name HN) (resid 81 and name HB2) 2.332 0.680 0.680 weight 1.000 ! spec=HNH, no=1512, id=1419, vol=1.350000e+08
assign (resid 81 and name HN) (resid 81 and name HB1) 2.260 0.639 0.639 weight 1.000 ! spec=HNH, no=1513, id=1420, vol=1.620000e+08
assign (resid 81 and name HN) (resid 82 and name HN) 2.563 0.821 0.821 weight 1.000 ! spec=HNH, no=1515, id=1422, vol=7.640000e+07
assign (resid 82 and name HN) (resid 78 and name HG21) 3.523 1.551 1.551 weight 1.000 ! spec=HNH, no=1517, id=1424, vol=1.130000e+07
    or (resid 82 and name HN) (resid 78 and name HG22)
    or (resid 82 and name HN) (resid 78 and name HG23)
assign (resid 82 and name HN) (resid 30 and name HD12) 3.713 1.723 1.723 weight 1.000 ! spec=HNH, no=1518, id=1425, vol=8.270000e+06
    or (resid 82 and name HN) (resid 30 and name HD11)
    or (resid 82 and name HN) (resid 30 and name HD13)
assign (resid 82 and name HN) (resid 78 and name HB) 4.072 2.073 2.073 weight 1.000 ! spec=HNH, no=1520, id=1427, vol=4.750000e+06
assign (resid 82 and name HN) (resid 81 and name HA) 2.870 1.030 1.030 weight 1.000 ! spec=HNH, no=1526, id=1433, vol=3.870000e+07
assign (resid 82 and name HN) (resid 82 and name HB2) 2.594 0.841 0.841 weight 1.000 ! spec=HNH, no=1528, id=1434, vol=7.100000e+07
assign (resid 82 and name HN) (resid 83 and name HB2) 3.476 1.510 1.510 weight 1.000 ! spec=HNH, no=1532, id=1438, vol=1.230000e+07
assign (resid 82 and name HE21) (resid 28 and name HA) 3.971 1.971 1.971 weight 1.000 ! spec=HNH, no=1533, id=1439, vol=5.530000e+06
assign (resid 82 and name HE21) (resid 82 and name HB2) 3.611 1.630 1.630 weight 1.000 ! spec=HNH, no=1536, id=1442, vol=9.770000e+06
assign (resid 82 and name HE22) (resid 82 and name HA) 4.013 2.013 2.013 weight 1.000 ! spec=HNH, no=1539, id=1445, vol=5.180000e+06
assign (resid 82 and name HE22) (resid 82 and name HB2) 3.799 1.805 1.805 weight 1.000 ! spec=HNH, no=1545, id=1450, vol=7.200000e+06
assign (resid 82 and name HE21) (resid 30 and name HG12) 3.663 1.677 1.677 weight 1.000 ! spec=HNH, no=1546, id=1451, vol=8.970000e+06
assign (resid 82 and name HE21) (resid 30 and name HG11) 3.255 1.324 1.324 weight 1.000 ! spec=HNH, no=1548, id=1453, vol=1.820000e+07
assign (resid 82 and name HE22) (resid 30 and name HG11) 3.526 1.554 1.554 weight 1.000 ! spec=HNH, no=1549, id=1454, vol=1.130000e+07
assign (resid 82 and name HE21) (resid 30 and name HG22) 3.825 1.829 1.829 weight 1.000 ! spec=HNH, no=1550, id=1455, vol=6.910000e+06
    or (resid 82 and name HE21) (resid 30 and name HG21)
    or (resid 82 and name HE21) (resid 30 and name HG23)
assign (resid 82 and name HE22) (resid 30 and name HG22) 3.890 1.891 1.891 weight 1.000 ! spec=HNH, no=1551, id=1456, vol=6.250000e+06
    or (resid 82 and name HE22) (resid 30 and name HG21)
    or (resid 82 and name HE22) (resid 30 and name HG23)
assign (resid 82 and name HE21) (resid 78 and name HA) 4.327 2.341 2.341 weight 1.000 ! spec=HNH, no=1552, id=1457, vol=3.300000e+06
assign (resid 82 and name HE21) (resid 78 and name HG21) 3.331 1.387 1.387 weight 1.000 ! spec=HNH, no=1553, id=1458, vol=1.590000e+07
    or (resid 82 and name HE21) (resid 78 and name HG22)
    or (resid 82 and name HE21) (resid 78 and name HG23)
assign (resid 82 and name HE22) (resid 81 and name HE2) 4.253 2.261 2.261 weight 1.000 ! spec=HNH, no=1556, id=1461, vol=3.660000e+06
assign (resid 82 and name HE22) (resid 82 and name HE21) 1.595 0.318 0.318 weight 1.000 ! spec=HNH, no=1561, id=1465, vol=1.320000e+09
assign (resid 82 and name HE21) (resid 82 and name HG2) 2.858 1.021 1.021 weight 1.000 ! spec=HNH, no=1563, id=1466, vol=3.980000e+07
assign (resid 82 and name HE22) (resid 82 and name HG2) 3.084 1.189 1.189 weight 1.000 ! spec=HNH, no=1564, id=1467, vol=2.520000e+07
assign (resid 82 and name HE21) (resid 82 and name HG1) 2.716 0.922 0.922 weight 1.000 ! spec=HNH, no=1565, id=1468, vol=5.390000e+07
assign (resid 82 and name HE22) (resid 82 and name HG1) 3.060 1.170 1.170 weight 1.000 ! spec=HNH, no=1566, id=1469, vol=2.640000e+07
assign (resid 82 and name HE21) (resid 83 and name HE1) 4.192 2.196 2.196 weight 1.000 ! spec=HNH, no=1567, id=1470, vol=3.990000e+06
assign (resid 82 and name HE22) (resid 83 and name HE1) 4.295 2.306 2.306 weight 1.000 ! spec=HNH, no=1568, id=1471, vol=3.450000e+06
assign (resid 83 and name HN) (resid 78 and name HA) 4.192 2.196 2.196 weight 1.000 ! spec=HNH, no=1581, id=1483, vol=3.990000e+06
assign (resid 83 and name HN) (resid 78 and name HG21) 3.597 1.618 1.618 weight 1.000 ! spec=HNH, no=1582, id=1484, vol=9.990000e+06
    or (resid 83 and name HN) (resid 78 and name HG22)
    or (resid 83 and name HN) (resid 78 and name HG23)
assign (resid 83 and name HN) (resid 83 and name HA) 3.084 1.189 1.189 weight 1.000 ! spec=HNH, no=1588, id=1489, vol=2.520000e+07
assign (resid 83 and name HN) (resid 83 and name HB2) 2.593 0.840 0.840 weight 1.000 ! spec=HNH, no=1589, id=1490, vol=7.130000e+07
assign (resid 83 and name HE1) (resid 30 and name HD12) 2.867 1.027 1.027 weight 1.000 ! spec=HNH, no=1591, id=1492, vol=3.900000e+07
    or (resid 83 and name HE1) (resid 30 and name HD11)
    or (resid 83 and name HE1) (resid 30 and name HD13)
assign (resid 83 and name HE1) (resid 79 and name HD12) 4.272 2.281 2.281 weight 1.000 ! spec=HNH, no=1607, id=1505, vol=3.560000e+06
    or (resid 83 and name HE1) (resid 79 and name HD11)
    or (resid 83 and name HE1) (resid 79 and name HD13)
assign (resid 83 and name HE1) (resid 38 and name HG11) 3.913 1.914 1.914 weight 1.000 ! spec=HNH, no=1608, id=1506, vol=6.040000e+06
assign (resid 83 and name HE1) (resid 83 and name HD1) 3.405 1.450 1.450 weight 1.000 ! spec=HNH, no=1618, id=1513, vol=1.390000e+07
assign (resid 83 and name HE1) (resid 83 and name HB2) 3.724 1.734 1.734 weight 1.000 ! spec=HNH, no=1628, id=1521, vol=8.120000e+06
    or (resid 83 and name HE1) (resid 83 and name HB1)
assign (resid 83 and name HE1) (resid 30 and name HG11) 3.360 1.411 1.411 weight 1.000 ! spec=HNH, no=1630, id=1523, vol=1.500000e+07
assign (resid 83 and name HE1) (resid 37 and name HB1) 4.320 2.333 2.333 weight 1.000 ! spec=HNH, no=1631, id=1524, vol=3.330000e+06
assign (resid 83 and name HE1) (resid 38 and name HA) 3.625 1.643 1.643 weight 1.000 ! spec=HNH, no=1632, id=1525, vol=9.550000e+06
assign (resid 83 and name HE1) (resid 78 and name HG21) 3.871 1.873 1.873 weight 1.000 ! spec=HNH, no=1633, id=1526, vol=6.430000e+06
    or (resid 83 and name HE1) (resid 78 and name HG22)
    or (resid 83 and name HE1) (resid 78 and name HG23)
assign (resid 83 and name HE1) (resid 82 and name HG2) 3.210 1.288 1.288 weight 1.000 ! spec=HNH, no=1635, id=1528, vol=1.980000e+07
assign (resid 83 and name HE1) (resid 83 and name HN) 4.013 2.013 2.013 weight 1.000 ! spec=HNH, no=1636, id=1529, vol=5.180000e+06
assign (resid 84 and name HN) (resid 83 and name HB2) 3.229 1.304 1.304 weight 1.000 ! spec=HNH, no=1642, id=1534, vol=1.910000e+07
    or (resid 84 and name HN) (resid 83 and name HB1)
assign (resid 84 and name HN) (resid 83 and name HD1) 3.873 1.875 1.875 weight 1.000 ! spec=HNH, no=1644, id=1536, vol=6.420000e+06
assign (resid 84 and name HN) (resid 84 and name HB1) 2.711 0.919 0.919 weight 1.000 ! spec=HNH, no=1648, id=1539, vol=5.460000e+07
assign (resid 84 and name HN) (resid 84 and name HG2) 2.976 1.107 1.107 weight 1.000 ! spec=HNH, no=1649, id=1540, vol=3.120000e+07
assign (resid 84 and name HN) (resid 85 and name HA2) 3.943 1.943 1.943 weight 1.000 ! spec=HNH, no=1650, id=1541, vol=5.770000e+06
assign (resid 85 and name HN) (resid 83 and name HA) 4.478 2.507 2.507 weight 1.000 ! spec=HNH, no=1651, id=1542, vol=2.690000e+06
assign (resid 85 and name HN) (resid 83 and name HE3) 4.392 2.411 2.411 weight 1.000 ! spec=HNH, no=1652, id=1543, vol=3.020000e+06
assign (resid 85 and name HN) (resid 79 and name HD12) 4.275 2.284 2.284 weight 1.000 ! spec=HNH, no=1654, id=1545, vol=3.550000e+06
    or (resid 85 and name HN) (resid 79 and name HD11)
    or (resid 85 and name HN) (resid 79 and name HD13)
assign (resid 85 and name HN) (resid 79 and name HD22) 4.474 2.502 2.502 weight 1.000 ! spec=HNH, no=1655, id=1546, vol=2.700000e+06
    or (resid 85 and name HN) (resid 79 and name HD21)
    or (resid 85 and name HN) (resid 79 and name HD23)
assign (resid 85 and name HN) (resid 83 and name HB2) 4.286 2.297 2.297 weight 1.000 ! spec=HNH, no=1656, id=1547, vol=3.490000e+06
assign (resid 85 and name HN) (resid 84 and name HN) 3.406 1.450 1.450 weight 1.000 ! spec=HNH, no=1657, id=1548, vol=1.390000e+07
assign (resid 85 and name HN) (resid 84 and name HB1) 3.821 1.825 1.825 weight 1.000 ! spec=HNH, no=1659, id=1550, vol=6.960000e+06
assign (resid 87 and name HN) (resid 86 and name HA) 2.210 0.610 0.610 weight 1.000 ! spec=HNH, no=1673, id=1562, vol=1.860000e+08
assign (resid 87 and name HN) (resid 86 and name HB2) 2.524 0.797 0.797 weight 1.000 ! spec=HNH, no=1674, id=1563, vol=8.370000e+07
assign (resid 87 and name HN) (resid 86 and name HB1) 2.636 0.869 0.869 weight 1.000 ! spec=HNH, no=1675, id=1564, vol=6.450000e+07
assign (resid 87 and name HN) (resid 86 and name HG2) 3.094 1.197 1.197 weight 1.000 ! spec=HNH, no=1676, id=1565, vol=2.470000e+07
assign (resid 87 and name HN) (resid 87 and name HA) 2.506 0.785 0.785 weight 1.000 ! spec=HNH, no=1678, id=1566, vol=8.750000e+07
assign (resid 87 and name HN) (resid 87 and name HB2) 2.230 0.622 0.622 weight 1.000 ! spec=HNH, no=1679, id=1567, vol=1.760000e+08
assign (resid 87 and name HN) (resid 88 and name HN) 2.459 0.756 0.756 weight 1.000 ! spec=HNH, no=1680, id=1568, vol=9.800000e+07
assign (resid 87 and name HN) (resid 88 and name HA) 3.931 1.932 1.932 weight 1.000 ! spec=HNH, no=1681, id=1569, vol=5.870000e+06
assign (resid 88 and name HN) (resid 86 and name HB2) 2.589 0.838 0.838 weight 1.000 ! spec=HNH, no=1691, id=1579, vol=7.190000e+07
assign (resid 88 and name HN) (resid 87 and name HB2) 2.569 0.825 0.825 weight 1.000 ! spec=HNH, no=1693, id=1581, vol=7.540000e+07
assign (resid 88 and name HN) (resid 88 and name HA) 2.806 0.984 0.984 weight 1.000 ! spec=HNH, no=1695, id=1582, vol=4.440000e+07
assign (resid 88 and name HN) (resid 89 and name HN) 3.339 1.394 1.394 weight 1.000 ! spec=HNH, no=1697, id=1584, vol=1.560000e+07
assign (resid 88 and name HN) (resid 132 and name HA) 3.771 1.777 1.777 weight 1.000 ! spec=HNH, no=1698, id=1585, vol=7.540000e+06
assign (resid 89 and name HN) (resid 86 and name HG2) 3.869 1.871 1.871 weight 1.000 ! spec=HNH, no=1702, id=1589, vol=6.460000e+06
assign (resid 89 and name HN) (resid 86 and name HD2) 4.058 2.058 2.058 weight 1.000 ! spec=HNH, no=1704, id=1591, vol=4.850000e+06
assign (resid 89 and name HN) (resid 88 and name HA) 2.420 0.732 0.732 weight 1.000 ! spec=HNH, no=1706, id=1593, vol=1.080000e+08
assign (resid 89 and name HN) (resid 88 and name HB2) 2.760 0.952 0.952 weight 1.000 ! spec=HNH, no=1707, id=1594, vol=4.900000e+07
assign (resid 89 and name HN) (resid 89 and name HA) 3.175 1.260 1.260 weight 1.000 ! spec=HNH, no=1709, id=1595, vol=2.120000e+07
assign (resid 89 and name HN) (resid 89 and name HG12) 2.975 1.107 1.107 weight 1.000 ! spec=HNH, no=1711, id=1597, vol=3.120000e+07
assign (resid 89 and name HN) (resid 91 and name HD12) 4.158 2.161 2.161 weight 1.000 ! spec=HNH, no=1713, id=1599, vol=4.190000e+06
    or (resid 89 and name HN) (resid 91 and name HD11)
    or (resid 89 and name HN) (resid 91 and name HD13)
assign (resid 89 and name HN) (resid 130 and name HA) 3.462 1.498 1.498 weight 1.000 ! spec=HNH, no=1714, id=1600, vol=1.260000e+07
assign (resid 89 and name HN) (resid 130 and name HB2) 3.212 1.290 1.290 weight 1.000 ! spec=HNH, no=1715, id=1601, vol=1.970000e+07
assign (resid 89 and name HN) (resid 131 and name HA) 3.768 1.775 1.775 weight 1.000 ! spec=HNH, no=1718, id=1604, vol=7.560000e+06
assign (resid 89 and name HN) (resid 131 and name HB1) 3.254 1.324 1.324 weight 1.000 ! spec=HNH, no=1719, id=1605, vol=1.820000e+07
assign (resid 89 and name HN) (resid 132 and name HA) 3.363 1.414 1.414 weight 1.000 ! spec=HNH, no=1720, id=1606, vol=1.500000e+07
assign (resid 89 and name HN) (resid 133 and name HA) 4.079 2.080 2.080 weight 1.000 ! spec=HNH, no=1721, id=1607, vol=4.700000e+06
assign (resid 89 and name HN) (resid 133 and name HG11) 3.318 1.376 1.376 weight 1.000 ! spec=HNH, no=1722, id=1608, vol=1.620000e+07
assign (resid 89 and name HN) (resid 133 and name HD12) 2.927 1.071 1.071 weight 1.000 ! spec=HNH, no=1723, id=1609, vol=3.440000e+07
    or (resid 89 and name HN) (resid 133 and name HD11)
    or (resid 89 and name HN) (resid 133 and name HD13)
assign (resid 90 and name HN) (resid 90 and name HB2) 2.388 0.713 0.713 weight 1.000 ! spec=HNH, no=1726, id=1612, vol=1.170000e+08
assign (resid 90 and name HN) (resid 90 and name HB1) 2.295 0.658 0.658 weight 1.000 ! spec=HNH, no=1737, id=1623, vol=1.480000e+08
assign (resid 90 and name HN) (resid 89 and name HA) 2.191 0.600 0.600 weight 1.000 ! spec=HNH, no=1738, id=1624, vol=1.960000e+08
assign (resid 90 and name HN) (resid 89 and name HB) 2.849 1.015 1.015 weight 1.000 ! spec=HNH, no=1739, id=1625, vol=4.050000e+07
assign (resid 90 and name HN) (resid 90 and name HA) 2.830 1.001 1.001 weight 1.000 ! spec=HNH, no=1743, id=1628, vol=4.220000e+07
assign (resid 90 and name HN) (resid 130 and name HB2) 4.193 2.197 2.197 weight 1.000 ! spec=HNH, no=1744, id=1629, vol=3.990000e+06
assign (resid 90 and name HN) (resid 131 and name HN) 3.865 1.867 1.867 weight 1.000 ! spec=HNH, no=1747, id=1632, vol=6.500000e+06
assign (resid 90 and name HN) (resid 151 and name HA) 3.096 1.198 1.198 weight 1.000 ! spec=HNH, no=1748, id=1633, vol=2.460000e+07
assign (resid 91 and name HN) (resid 104 and name HZ3) 3.944 1.944 1.944 weight 1.000 ! spec=HNH, no=1750, id=1635, vol=5.760000e+06
assign (resid 91 and name HN) (resid 130 and name HB2) 3.450 1.488 1.488 weight 1.000 ! spec=HNH, no=1751, id=1636, vol=1.280000e+07
    or (resid 91 and name HN) (resid 130 and name HB1)
assign (resid 91 and name HN) (resid 90 and name HA) 2.355 0.693 0.693 weight 1.000 ! spec=HNH, no=1755, id=1640, vol=1.270000e+08
assign (resid 91 and name HN) (resid 91 and name HA) 3.059 1.170 1.170 weight 1.000 ! spec=HNH, no=1759, id=1643, vol=2.640000e+07
assign (resid 91 and name HN) (resid 91 and name HB2) 2.829 1.000 1.000 weight 1.000 ! spec=HNH, no=1760, id=1644, vol=4.230000e+07
assign (resid 91 and name HN) (resid 91 and name HB1) 2.672 0.892 0.892 weight 1.000 ! spec=HNH, no=1761, id=1645, vol=5.960000e+07
assign (resid 91 and name HN) (resid 130 and name HA) 2.843 1.011 1.011 weight 1.000 ! spec=HNH, no=1765, id=1649, vol=4.100000e+07
assign (resid 91 and name HN) (resid 130 and name HD1) 3.606 1.626 1.626 weight 1.000 ! spec=HNH, no=1766, id=1650, vol=9.850000e+06
assign (resid 92 and name HN) (resid 64 and name HB) 3.543 1.569 1.569 weight 1.000 ! spec=HNH, no=1778, id=1661, vol=1.090000e+07
assign (resid 92 and name HN) (resid 64 and name HG12) 3.158 1.247 1.247 weight 1.000 ! spec=HNH, no=1779, id=1662, vol=2.180000e+07
assign (resid 92 and name HN) (resid 131 and name HD22) 3.971 1.971 1.971 weight 1.000 ! spec=HNH, no=1782, id=1665, vol=5.530000e+06
    or (resid 92 and name HN) (resid 131 and name HD21)
    or (resid 92 and name HN) (resid 131 and name HD23)
assign (resid 92 and name HN) (resid 63 and name HB2) 3.472 1.506 1.506 weight 1.000 ! spec=HNH, no=1786, id=1668, vol=1.240000e+07
assign (resid 92 and name HN) (resid 63 and name HE2) 3.405 1.449 1.449 weight 1.000 ! spec=HNH, no=1788, id=1670, vol=1.390000e+07
    or (resid 92 and name HN) (resid 63 and name HE1)
    or (resid 92 and name HN) (resid 63 and name HE3)
assign (resid 92 and name HN) (resid 65 and name HA) 3.929 1.929 1.929 weight 1.000 ! spec=HNH, no=1789, id=1671, vol=5.890000e+06
assign (resid 92 and name HN) (resid 91 and name HN) 3.729 1.738 1.738 weight 1.000 ! spec=HNH, no=1790, id=1672, vol=8.050000e+06
assign (resid 92 and name HN) (resid 91 and name HA) 2.637 0.869 0.869 weight 1.000 ! spec=HNH, no=1791, id=1673, vol=6.440000e+07
assign (resid 92 and name HN) (resid 91 and name HB2) 2.526 0.797 0.797 weight 1.000 ! spec=HNH, no=1792, id=1674, vol=8.340000e+07
assign (resid 92 and name HN) (resid 91 and name HB1) 3.193 1.274 1.274 weight 1.000 ! spec=HNH, no=1793, id=1675, vol=2.040000e+07
assign (resid 92 and name HN) (resid 93 and name HA) 4.249 2.256 2.256 weight 1.000 ! spec=HNH, no=1799, id=1680, vol=3.680000e+06
assign (resid 92 and name HN) (resid 104 and name HE3) 3.660 1.675 1.675 weight 1.000 ! spec=HNH, no=1800, id=1681, vol=9.010000e+06
assign (resid 92 and name HN) (resid 104 and name HZ3) 3.244 1.316 1.316 weight 1.000 ! spec=HNH, no=1802, id=1683, vol=1.860000e+07
assign (resid 92 and name HN) (resid 105 and name HD1) 3.947 1.947 1.947 weight 1.000 ! spec=HNH, no=1803, id=1684, vol=5.730000e+06
assign (resid 93 and name HN) (resid 63 and name HB2) 3.579 1.601 1.601 weight 1.000 ! spec=HNH, no=1805, id=1685, vol=1.030000e+07
assign (resid 93 and name HN) (resid 102 and name HB1) 4.190 2.195 2.195 weight 1.000 ! spec=HNH, no=1807, id=1687, vol=4.000000e+06
assign (resid 93 and name HN) (resid 93 and name HG2) 2.693 0.906 0.906 weight 1.000 ! spec=HNH, no=1810, id=1690, vol=5.680000e+07
    or (resid 93 and name HN) (resid 93 and name HG1)
assign (resid 93 and name HN) (resid 90 and name HD22) 3.883 1.885 1.885 weight 1.000 ! spec=HNH, no=1812, id=1692, vol=6.320000e+06
    or (resid 93 and name HN) (resid 90 and name HD21)
    or (resid 93 and name HN) (resid 90 and name HD23)
assign (resid 93 and name HN) (resid 102 and name HD1) 4.091 2.092 2.092 weight 1.000 ! spec=HNH, no=1820, id=1700, vol=4.620000e+06
    or (resid 93 and name HN) (resid 102 and name HD2)
assign (resid 93 and name HN) (resid 63 and name HB1) 3.574 1.597 1.597 weight 1.000 ! spec=HNH, no=1824, id=1704, vol=1.040000e+07
assign (resid 93 and name HN) (resid 63 and name HE2) 3.410 1.454 1.454 weight 1.000 ! spec=HNH, no=1826, id=1706, vol=1.380000e+07
    or (resid 93 and name HN) (resid 63 and name HE1)
    or (resid 93 and name HN) (resid 63 and name HE3)
assign (resid 93 and name HN) (resid 91 and name HD22) 4.129 2.131 2.131 weight 1.000 ! spec=HNH, no=1827, id=1707, vol=4.370000e+06
    or (resid 93 and name HN) (resid 91 and name HD21)
    or (resid 93 and name HN) (resid 91 and name HD23)
assign (resid 93 and name HN) (resid 92 and name HA2) 3.046 1.160 1.160 weight 1.000 ! spec=HNH, no=1828, id=1708, vol=2.710000e+07
assign (resid 93 and name HN) (resid 92 and name HA1) 2.747 0.943 0.943 weight 1.000 ! spec=HNH, no=1829, id=1709, vol=5.040000e+07
assign (resid 93 and name HN) (resid 93 and name HA) 2.949 1.087 1.087 weight 1.000 ! spec=HNH, no=1831, id=1710, vol=3.290000e+07
assign (resid 93 and name HN) (resid 94 and name HN) 3.605 1.625 1.625 weight 1.000 ! spec=HNH, no=1833, id=1712, vol=9.870000e+06
assign (resid 93 and name HN) (resid 94 and name HB2) 3.998 1.998 1.998 weight 1.000 ! spec=HNH, no=1834, id=1713, vol=5.310000e+06
assign (resid 94 and name HN) (resid 93 and name HA) 2.324 0.675 0.675 weight 1.000 ! spec=HNH, no=1853, id=1731, vol=1.380000e+08
assign (resid 94 and name HN) (resid 93 and name HB2) 2.820 0.994 0.994 weight 1.000 ! spec=HNH, no=1854, id=1732, vol=4.310000e+07
assign (resid 94 and name HN) (resid 93 and name HB1) 3.035 1.152 1.152 weight 1.000 ! spec=HNH, no=1855, id=1733, vol=2.770000e+07
assign (resid 94 and name HN) (resid 93 and name HG2) 2.825 0.998 0.998 weight 1.000 ! spec=HNH, no=1856, id=1734, vol=4.260000e+07
assign (resid 94 and name HN) (resid 94 and name HA) 2.631 0.866 0.866 weight 1.000 ! spec=HNH, no=1858, id=1735, vol=6.530000e+07
assign (resid 94 and name HN) (resid 94 and name HB2) 3.192 1.273 1.273 weight 1.000 ! spec=HNH, no=1859, id=1736, vol=2.050000e+07
assign (resid 94 and name HN) (resid 94 and name HB1) 3.200 1.280 1.280 weight 1.000 ! spec=HNH, no=1860, id=1737, vol=2.020000e+07
assign (resid 94 and name HN) (resid 95 and name HN) 3.384 1.431 1.431 weight 1.000 ! spec=HNH, no=1862, id=1739, vol=1.440000e+07
assign (resid 94 and name HN) (resid 102 and name HA) 3.544 1.570 1.570 weight 1.000 ! spec=HNH, no=1864, id=1741, vol=1.090000e+07
assign (resid 94 and name HN) (resid 102 and name HD1) 3.369 1.419 1.419 weight 1.000 ! spec=HNH, no=1865, id=1742, vol=1.480000e+07
assign (resid 94 and name HN) (resid 103 and name HA) 4.095 2.096 2.096 weight 1.000 ! spec=HNH, no=1867, id=1744, vol=4.600000e+06
assign (resid 94 and name HN) (resid 103 and name HB2) 3.685 1.697 1.697 weight 1.000 ! spec=HNH, no=1868, id=1745, vol=8.650000e+06
assign (resid 94 and name HN) (resid 103 and name HG2) 3.580 1.602 1.602 weight 1.000 ! spec=HNH, no=1870, id=1747, vol=1.030000e+07
assign (resid 94 and name HN) (resid 105 and name HN) 3.325 1.382 1.382 weight 1.000 ! spec=HNH, no=1872, id=1749, vol=1.600000e+07
assign (resid 94 and name HN) (resid 105 and name HA) 3.750 1.758 1.758 weight 1.000 ! spec=HNH, no=1873, id=1750, vol=7.790000e+06
assign (resid 95 and name HN) (resid 142 and name HA) 3.052 1.164 1.164 weight 1.000 ! spec=HNH, no=1877, id=1753, vol=2.680000e+07
assign (resid 95 and name HN) (resid 94 and name HB1) 2.667 0.889 0.889 weight 1.000 ! spec=HNH, no=1881, id=1757, vol=6.020000e+07
assign (resid 95 and name HN) (resid 95 and name HA) 2.799 0.979 0.979 weight 1.000 ! spec=HNH, no=1884, id=1759, vol=4.510000e+07
assign (resid 95 and name HN) (resid 95 and name HB1) 2.485 0.772 0.772 weight 1.000 ! spec=HNH, no=1885, id=1760, vol=9.190000e+07
assign (resid 95 and name HN) (resid 102 and name HD1) 3.268 1.335 1.335 weight 1.000 ! spec=HNH, no=1888, id=1763, vol=1.780000e+07
assign (resid 96 and name HN) (resid 97 and name HN) 3.096 1.198 1.198 weight 1.000 ! spec=HNH, no=1889, id=1764, vol=2.460000e+07
assign (resid 96 and name HN) (resid 103 and name HD1) 3.890 1.891 1.891 weight 1.000 ! spec=HNH, no=1890, id=1765, vol=6.250000e+06
assign (resid 96 and name HN) (resid 95 and name HB2) 3.241 1.313 1.313 weight 1.000 ! spec=HNH, no=1893, id=1768, vol=1.870000e+07
assign (resid 96 and name HN) (resid 99 and name HN) 3.895 1.897 1.897 weight 1.000 ! spec=HNH, no=1897, id=1772, vol=6.200000e+06
assign (resid 96 and name HN) (resid 94 and name HA) 3.925 1.926 1.926 weight 1.000 ! spec=HNH, no=1901, id=1776, vol=5.920000e+06
assign (resid 96 and name HN) (resid 95 and name HN) 3.650 1.665 1.665 weight 1.000 ! spec=HNH, no=1903, id=1778, vol=9.160000e+06
assign (resid 96 and name HN) (resid 95 and name HA) 2.311 0.668 0.668 weight 1.000 ! spec=HNH, no=1904, id=1779, vol=1.420000e+08
assign (resid 96 and name HN) (resid 96 and name HA) 2.870 1.029 1.029 weight 1.000 ! spec=HNH, no=1908, id=1782, vol=3.880000e+07
assign (resid 96 and name HN) (resid 96 and name HB2) 2.650 0.878 0.878 weight 1.000 ! spec=HNH, no=1909, id=1783, vol=6.260000e+07
assign (resid 96 and name HN) (resid 96 and name HB1) 2.546 0.810 0.810 weight 1.000 ! spec=HNH, no=1910, id=1784, vol=7.950000e+07
assign (resid 96 and name HN) (resid 101 and name HN) 2.837 1.006 1.006 weight 1.000 ! spec=HNH, no=1913, id=1787, vol=4.160000e+07
assign (resid 96 and name HN) (resid 101 and name HB1) 3.753 1.761 1.761 weight 1.000 ! spec=HNH, no=1914, id=1788, vol=7.750000e+06
assign (resid 96 and name HN) (resid 102 and name HA) 2.934 1.076 1.076 weight 1.000 ! spec=HNH, no=1915, id=1789, vol=3.390000e+07
assign (resid 96 and name HN) (resid 103 and name HG2) 3.259 1.328 1.328 weight 1.000 ! spec=HNH, no=1918, id=1792, vol=1.810000e+07
assign (resid 97 and name HN) (resid 100 and name HN) 3.427 1.468 1.468 weight 1.000 ! spec=HNH, no=1919, id=1793, vol=1.340000e+07
assign (resid 97 and name HN) (resid 96 and name HA) 2.057 0.529 0.529 weight 1.000 ! spec=HNH, no=1926, id=1799, vol=2.860000e+08
assign (resid 97 and name HN) (resid 96 and name HB1) 3.207 1.286 1.286 weight 1.000 ! spec=HNH, no=1928, id=1801, vol=1.990000e+07
assign (resid 97 and name HN) (resid 97 and name HA) 2.582 0.834 0.834 weight 1.000 ! spec=HNH, no=1930, id=1802, vol=7.300000e+07
assign (resid 97 and name HN) (resid 99 and name HN) 3.337 1.392 1.392 weight 1.000 ! spec=HNH, no=1933, id=1805, vol=1.570000e+07
assign (resid 98 and name HN) (resid 96 and name HB2) 3.411 1.454 1.454 weight 1.000 ! spec=HNH, no=1934, id=1806, vol=1.380000e+07
assign (resid 98 and name HN) (resid 101 and name HN) 3.817 1.821 1.821 weight 1.000 ! spec=HNH, no=1935, id=1807, vol=7.010000e+06
assign (resid 98 and name HN) (resid 96 and name HA) 2.774 0.962 0.962 weight 1.000 ! spec=HNH, no=1937, id=1809, vol=4.760000e+07
assign (resid 98 and name HN) (resid 96 and name HB1) 3.164 1.252 1.252 weight 1.000 ! spec=HNH, no=1938, id=1810, vol=2.160000e+07
assign (resid 98 and name HN) (resid 97 and name HA) 2.806 0.984 0.984 weight 1.000 ! spec=HNH, no=1939, id=1811, vol=4.440000e+07
assign (resid 98 and name HN) (resid 98 and name HB1) 2.239 0.627 0.627 weight 1.000 ! spec=HNH, no=1942, id=1813, vol=1.720000e+08
assign (resid 98 and name HN) (resid 99 and name HN) 2.314 0.669 0.669 weight 1.000 ! spec=HNH, no=1943, id=1814, vol=1.410000e+08
assign (resid 98 and name HN) (resid 100 and name HN) 2.979 1.109 1.109 weight 1.000 ! spec=HNH, no=1946, id=1817, vol=3.100000e+07
assign (resid 99 and name HN) (resid 96 and name HB2) 3.496 1.528 1.528 weight 1.000 ! spec=HNH, no=1952, id=1823, vol=1.190000e+07
assign (resid 99 and name HN) (resid 96 and name HB1) 3.104 1.204 1.204 weight 1.000 ! spec=HNH, no=1953, id=1824, vol=2.420000e+07
assign (resid 99 and name HN) (resid 97 and name HA) 3.431 1.472 1.472 weight 1.000 ! spec=HNH, no=1954, id=1825, vol=1.330000e+07
assign (resid 99 and name HN) (resid 98 and name HA) 2.923 1.068 1.068 weight 1.000 ! spec=HNH, no=1956, id=1827, vol=3.480000e+07
assign (resid 99 and name HN) (resid 98 and name HB2) 2.764 0.955 0.955 weight 1.000 ! spec=HNH, no=1957, id=1828, vol=4.860000e+07
assign (resid 99 and name HN) (resid 99 and name HA) 2.719 0.924 0.924 weight 1.000 ! spec=HNH, no=1960, id=1830, vol=5.370000e+07
assign (resid 99 and name HN) (resid 99 and name HB2) 2.378 0.707 0.707 weight 1.000 ! spec=HNH, no=1961, id=1831, vol=1.200000e+08
assign (resid 99 and name HN) (resid 100 and name HA) 2.996 1.122 1.122 weight 1.000 ! spec=HNH, no=1963, id=1833, vol=3.000000e+07
assign (resid 100 and name HN) (resid 95 and name HD1) 4.071 2.072 2.072 weight 1.000 ! spec=HNH, no=1966, id=1836, vol=4.760000e+06
assign (resid 100 and name HN) (resid 96 and name HB2) 3.863 1.866 1.866 weight 1.000 ! spec=HNH, no=1968, id=1838, vol=6.510000e+06
assign (resid 100 and name HN) (resid 97 and name HA) 2.770 0.959 0.959 weight 1.000 ! spec=HNH, no=1969, id=1839, vol=4.800000e+07
assign (resid 100 and name HN) (resid 98 and name HB2) 3.481 1.515 1.515 weight 1.000 ! spec=HNH, no=1971, id=1841, vol=1.220000e+07
assign (resid 99 and name HN) (resid 100 and name HN) 2.249 0.632 0.632 weight 1.000 ! spec=HNH, no=1972, id=1842, vol=1.670000e+08
assign (resid 100 and name HN) (resid 99 and name HA) 2.976 1.107 1.107 weight 1.000 ! spec=HNH, no=1973, id=1843, vol=3.120000e+07
assign (resid 100 and name HN) (resid 99 and name HB2) 2.926 1.070 1.070 weight 1.000 ! spec=HNH, no=1974, id=1844, vol=3.450000e+07
assign (resid 100 and name HN) (resid 100 and name HA) 2.174 0.591 0.591 weight 1.000 ! spec=HNH, no=1976, id=1845, vol=2.050000e+08
assign (resid 101 and name HN) (resid 99 and name HB1) 3.966 1.966 1.966 weight 1.000 ! spec=HNH, no=1981, id=1850, vol=5.570000e+06
assign (resid 101 and name HN) (resid 95 and name HA) 3.470 1.505 1.505 weight 1.000 ! spec=HNH, no=1985, id=1854, vol=1.240000e+07
assign (resid 101 and name HN) (resid 95 and name HD1) 3.652 1.667 1.667 weight 1.000 ! spec=HNH, no=1990, id=1859, vol=9.140000e+06
assign (resid 101 and name HN) (resid 96 and name HB1) 2.830 1.001 1.001 weight 1.000 ! spec=HNH, no=1994, id=1863, vol=4.220000e+07
assign (resid 101 and name HN) (resid 97 and name HA) 3.155 1.244 1.244 weight 1.000 ! spec=HNH, no=1995, id=1864, vol=2.200000e+07
assign (resid 99 and name HN) (resid 101 and name HN) 2.979 1.109 1.109 weight 1.000 ! spec=HNH, no=1996, id=1865, vol=3.100000e+07
assign (resid 101 and name HN) (resid 99 and name HB2) 3.097 1.199 1.199 weight 1.000 ! spec=HNH, no=1997, id=1866, vol=2.460000e+07
assign (resid 100 and name HN) (resid 101 and name HN) 2.474 0.765 0.765 weight 1.000 ! spec=HNH, no=1998, id=1867, vol=9.440000e+07
assign (resid 101 and name HN) (resid 100 and name HA) 2.247 0.631 0.631 weight 1.000 ! spec=HNH, no=1999, id=1868, vol=1.680000e+08
assign (resid 101 and name HN) (resid 102 and name HN) 3.267 1.334 1.334 weight 1.000 ! spec=HNH, no=2003, id=1871, vol=1.780000e+07
assign (resid 101 and name HN) (resid 103 and name HD1) 3.972 1.972 1.972 weight 1.000 ! spec=HNH, no=2005, id=1873, vol=5.510000e+06
assign (resid 101 and name HN) (resid 103 and name HE2) 3.367 1.417 1.417 weight 1.000 ! spec=HNH, no=2006, id=1874, vol=1.490000e+07
assign (resid 101 and name HN) (resid 103 and name HG2) 3.407 1.451 1.451 weight 1.000 ! spec=HNH, no=2007, id=1875, vol=1.390000e+07
assign (resid 102 and name HN) (resid 101 and name HB2) 2.540 0.806 0.806 weight 1.000 ! spec=HNH, no=2012, id=1880, vol=8.070000e+07
assign (resid 102 and name HN) (resid 102 and name HB2) 2.443 0.746 0.746 weight 1.000 ! spec=HNH, no=2016, id=1883, vol=1.020000e+08
assign (resid 102 and name HN) (resid 102 and name HB1) 2.649 0.877 0.877 weight 1.000 ! spec=HNH, no=2017, id=1884, vol=6.260000e+07
assign (resid 102 and name HN) (resid 103 and name HG2) 3.222 1.297 1.297 weight 1.000 ! spec=HNH, no=2019, id=1886, vol=1.940000e+07
assign (resid 103 and name HN) (resid 93 and name HA) 3.531 1.559 1.559 weight 1.000 ! spec=HNH, no=2024, id=1891, vol=1.120000e+07
assign (resid 103 and name HN) (resid 93 and name HB2) 2.870 1.029 1.029 weight 1.000 ! spec=HNH, no=2025, id=1892, vol=3.880000e+07
assign (resid 94 and name HN) (resid 103 and name HN) 2.761 0.953 0.953 weight 1.000 ! spec=HNH, no=2026, id=1893, vol=4.890000e+07
assign (resid 103 and name HN) (resid 95 and name HA) 3.036 1.152 1.152 weight 1.000 ! spec=HNH, no=2027, id=1894, vol=2.760000e+07
assign (resid 96 and name HN) (resid 103 and name HN) 3.527 1.555 1.555 weight 1.000 ! spec=HNH, no=2028, id=1895, vol=1.130000e+07
assign (resid 103 and name HN) (resid 102 and name HB2) 3.074 1.181 1.181 weight 1.000 ! spec=HNH, no=2030, id=1897, vol=2.570000e+07
assign (resid 103 and name HN) (resid 102 and name HB1) 2.894 1.047 1.047 weight 1.000 ! spec=HNH, no=2031, id=1898, vol=3.690000e+07
assign (resid 103 and name HN) (resid 102 and name HD1) 3.030 1.148 1.148 weight 1.000 ! spec=HNH, no=2032, id=1899, vol=2.800000e+07
assign (resid 103 and name HN) (resid 103 and name HA) 2.933 1.075 1.075 weight 1.000 ! spec=HNH, no=2034, id=1900, vol=3.410000e+07
assign (resid 103 and name HN) (resid 103 and name HB2) 2.859 1.022 1.022 weight 1.000 ! spec=HNH, no=2035, id=1901, vol=3.970000e+07
assign (resid 103 and name HN) (resid 103 and name HG2) 2.791 0.974 0.974 weight 1.000 ! spec=HNH, no=2036, id=1902, vol=4.580000e+07
assign (resid 103 and name HN) (resid 104 and name HA) 3.477 1.511 1.511 weight 1.000 ! spec=HNH, no=2037, id=1903, vol=1.230000e+07
assign (resid 103 and name HN) (resid 110 and name HE2) 3.894 1.895 1.895 weight 1.000 ! spec=HNH, no=2038, id=1904, vol=6.210000e+06
    or (resid 103 and name HN) (resid 110 and name HE1)
    or (resid 103 and name HN) (resid 110 and name HE3)
assign (resid 104 and name HN) (resid 94 and name HD1) 4.053 2.054 2.054 weight 1.000 ! spec=HNH, no=2039, id=1905, vol=4.880000e+06
    or (resid 104 and name HN) (resid 94 and name HD2)
assign (resid 104 and name HN) (resid 103 and name HA) 2.240 0.627 0.627 weight 1.000 ! spec=HNH, no=2042, id=1908, vol=1.710000e+08
assign (resid 104 and name HN) (resid 103 and name HB2) 2.992 1.119 1.119 weight 1.000 ! spec=HNH, no=2043, id=1909, vol=3.020000e+07
assign (resid 104 and name HN) (resid 103 and name HB1) 2.630 0.865 0.865 weight 1.000 ! spec=HNH, no=2044, id=1910, vol=6.540000e+07
assign (resid 104 and name HN) (resid 104 and name HA) 2.966 1.100 1.100 weight 1.000 ! spec=HNH, no=2048, id=1913, vol=3.180000e+07
assign (resid 104 and name HN) (resid 104 and name HB2) 2.536 0.804 0.804 weight 1.000 ! spec=HNH, no=2049, id=1914, vol=8.150000e+07
assign (resid 104 and name HN) (resid 104 and name HB1) 2.624 0.861 0.861 weight 1.000 ! spec=HNH, no=2050, id=1915, vol=6.640000e+07
assign (resid 104 and name HN) (resid 104 and name HE3) 3.807 1.812 1.812 weight 1.000 ! spec=HNH, no=2052, id=1917, vol=7.110000e+06
assign (resid 104 and name HN) (resid 107 and name HN) 3.678 1.691 1.691 weight 1.000 ! spec=HNH, no=2054, id=1919, vol=8.750000e+06
assign (resid 104 and name HN) (resid 107 and name HA) 3.459 1.496 1.496 weight 1.000 ! spec=HNH, no=2055, id=1920, vol=1.260000e+07
assign (resid 104 and name HE1) (resid 110 and name HB1) 3.568 1.591 1.591 weight 1.000 ! spec=HNH, no=2060, id=1924, vol=1.050000e+07
assign (resid 104 and name HE1) (resid 66 and name HN) 3.811 1.815 1.815 weight 1.000 ! spec=HNH, no=2061, id=1925, vol=7.070000e+06
assign (resid 104 and name HE1) (resid 110 and name HG2) 3.259 1.328 1.328 weight 1.000 ! spec=HNH, no=2063, id=1927, vol=1.810000e+07
assign (resid 104 and name HE1) (resid 66 and name HG22) 4.235 2.241 2.241 weight 1.000 ! spec=HNH, no=2065, id=1929, vol=3.760000e+06
    or (resid 104 and name HE1) (resid 66 and name HG21)
    or (resid 104 and name HE1) (resid 66 and name HG23)
assign (resid 104 and name HE1) (resid 103 and name HA) 4.302 2.313 2.313 weight 1.000 ! spec=HNH, no=2067, id=1931, vol=3.420000e+06
assign (resid 104 and name HE1) (resid 104 and name HB2) 3.867 1.869 1.869 weight 1.000 ! spec=HNH, no=2068, id=1932, vol=6.480000e+06
assign (resid 104 and name HE1) (resid 104 and name HB1) 4.127 2.129 2.129 weight 1.000 ! spec=HNH, no=2069, id=1933, vol=4.380000e+06
assign (resid 104 and name HE1) (resid 104 and name HH2) 4.196 2.201 2.201 weight 1.000 ! spec=HNH, no=2072, id=1935, vol=3.970000e+06
assign (resid 104 and name HE1) (resid 110 and name HA) 2.579 0.831 0.831 weight 1.000 ! spec=HNH, no=2075, id=1938, vol=7.360000e+07
assign (resid 104 and name HE1) (resid 110 and name HB2) 3.357 1.409 1.409 weight 1.000 ! spec=HNH, no=2076, id=1939, vol=1.510000e+07
assign (resid 104 and name HE1) (resid 110 and name HG1) 3.474 1.509 1.509 weight 1.000 ! spec=HNH, no=2079, id=1942, vol=1.230000e+07
assign (resid 104 and name HE1) (resid 138 and name HH2) 3.651 1.666 1.666 weight 1.000 ! spec=HNH, no=2082, id=1945, vol=9.150000e+06
assign (resid 104 and name HE1) (resid 138 and name HZ3) 4.521 2.555 2.555 weight 1.000 ! spec=HNH, no=2083, id=1946, vol=2.540000e+06
assign (resid 105 and name HN) (resid 93 and name HB2) 3.570 1.593 1.593 weight 1.000 ! spec=HNH, no=2085, id=1948, vol=1.050000e+07
assign (resid 105 and name HN) (resid 106 and name HA) 3.841 1.844 1.844 weight 1.000 ! spec=HNH, no=2087, id=1950, vol=6.750000e+06
assign (resid 105 and name HN) (resid 93 and name HN) 3.615 1.633 1.633 weight 1.000 ! spec=HNH, no=2088, id=1951, vol=9.710000e+06
assign (resid 105 and name HN) (resid 94 and name HD1) 3.533 1.561 1.561 weight 1.000 ! spec=HNH, no=2090, id=1953, vol=1.110000e+07
assign (resid 104 and name HN) (resid 105 and name HN) 3.544 1.570 1.570 weight 1.000 ! spec=HNH, no=2091, id=1954, vol=1.090000e+07
assign (resid 105 and name HN) (resid 104 and name HA) 2.377 0.706 0.706 weight 1.000 ! spec=HNH, no=2092, id=1955, vol=1.200000e+08
assign (resid 105 and name HN) (resid 104 and name HB2) 3.274 1.340 1.340 weight 1.000 ! spec=HNH, no=2093, id=1956, vol=1.760000e+07
assign (resid 105 and name HN) (resid 104 and name HE3) 3.259 1.328 1.328 weight 1.000 ! spec=HNH, no=2094, id=1957, vol=1.810000e+07
assign (resid 105 and name HN) (resid 105 and name HA) 2.894 1.047 1.047 weight 1.000 ! spec=HNH, no=2096, id=1958, vol=3.680000e+07
assign (resid 105 and name HN) (resid 105 and name HB2) 2.795 0.976 0.976 weight 1.000 ! spec=HNH, no=2097, id=1959, vol=4.540000e+07
assign (resid 105 and name HN) (resid 105 and name HB1) 2.941 1.081 1.081 weight 1.000 ! spec=HNH, no=2098, id=1960, vol=3.350000e+07
assign (resid 105 and name HN) (resid 105 and name HD1) 3.056 1.168 1.168 weight 1.000 ! spec=HNH, no=2099, id=1961, vol=2.660000e+07
assign (resid 105 and name HN) (resid 105 and name HE1) 3.567 1.591 1.591 weight 1.000 ! spec=HNH, no=2100, id=1962, vol=1.050000e+07
assign (resid 106 and name HN) (resid 104 and name HD1) 4.127 2.129 2.129 weight 1.000 ! spec=HNH, no=2102, id=1964, vol=4.390000e+06
assign (resid 106 and name HN) (resid 105 and name HD1) 3.750 1.757 1.757 weight 1.000 ! spec=HNH, no=2103, id=1965, vol=7.790000e+06
    or (resid 106 and name HN) (resid 105 and name HD2)
assign (resid 106 and name HN) (resid 104 and name HA) 3.315 1.373 1.373 weight 1.000 ! spec=HNH, no=2108, id=1970, vol=1.630000e+07
assign (resid 106 and name HN) (resid 104 and name HB2) 2.652 0.879 0.879 weight 1.000 ! spec=HNH, no=2109, id=1971, vol=6.220000e+07
assign (resid 106 and name HN) (resid 104 and name HB1) 2.917 1.063 1.063 weight 1.000 ! spec=HNH, no=2110, id=1972, vol=3.520000e+07
assign (resid 105 and name HN) (resid 106 and name HN) 2.955 1.091 1.091 weight 1.000 ! spec=HNH, no=2111, id=1973, vol=3.260000e+07
assign (resid 106 and name HN) (resid 105 and name HA) 3.167 1.254 1.254 weight 1.000 ! spec=HNH, no=2112, id=1974, vol=2.140000e+07
assign (resid 106 and name HN) (resid 105 and name HB2) 2.942 1.082 1.082 weight 1.000 ! spec=HNH, no=2113, id=1975, vol=3.340000e+07
assign (resid 106 and name HN) (resid 106 and name HA) 2.742 0.940 0.940 weight 1.000 ! spec=HNH, no=2115, id=1976, vol=5.100000e+07
assign (resid 106 and name HN) (resid 106 and name HB2) 2.712 0.919 0.919 weight 1.000 ! spec=HNH, no=2116, id=1977, vol=5.450000e+07
assign (resid 106 and name HN) (resid 107 and name HN) 2.843 1.011 1.011 weight 1.000 ! spec=HNH, no=2117, id=1978, vol=4.100000e+07
assign (resid 106 and name HN) (resid 107 and name HA) 3.546 1.572 1.572 weight 1.000 ! spec=HNH, no=2118, id=1979, vol=1.090000e+07
assign (resid 107 and name HN) (resid 105 and name HA) 3.170 1.256 1.256 weight 1.000 ! spec=HNH, no=2122, id=1983, vol=2.140000e+07
assign (resid 107 and name HN) (resid 104 and name HD1) 3.960 1.961 1.961 weight 1.000 ! spec=HNH, no=2124, id=1985, vol=5.610000e+06
assign (resid 107 and name HN) (resid 94 and name HE1) 3.845 1.848 1.848 weight 1.000 ! spec=HNH, no=2125, id=1986, vol=6.700000e+06
    or (resid 107 and name HN) (resid 94 and name HE2)
assign (resid 107 and name HN) (resid 104 and name HA) 3.786 1.791 1.791 weight 1.000 ! spec=HNH, no=2126, id=1987, vol=7.360000e+06
assign (resid 107 and name HN) (resid 104 and name HB1) 3.320 1.378 1.378 weight 1.000 ! spec=HNH, no=2127, id=1988, vol=1.620000e+07
assign (resid 107 and name HN) (resid 105 and name HN) 4.036 2.036 2.036 weight 1.000 ! spec=HNH, no=2128, id=1989, vol=5.010000e+06
assign (resid 107 and name HN) (resid 105 and name HB1) 3.932 1.933 1.933 weight 1.000 ! spec=HNH, no=2129, id=1990, vol=5.860000e+06
assign (resid 107 and name HN) (resid 106 and name HB2) 3.624 1.642 1.642 weight 1.000 ! spec=HNH, no=2131, id=1992, vol=9.560000e+06
assign (resid 107 and name HN) (resid 107 and name HA) 2.184 0.596 0.596 weight 1.000 ! spec=HNH, no=2133, id=1993, vol=2.000000e+08
assign (resid 107 and name HN) (resid 107 and name HB2) 2.800 0.980 0.980 weight 1.000 ! spec=HNH, no=2134, id=1994, vol=4.500000e+07
assign (resid 107 and name HD22) (resid 105 and name HA) 3.724 1.733 1.733 weight 1.000 ! spec=HNH, no=2142, id=2001, vol=8.130000e+06
assign (resid 107 and name HD21) (resid 107 and name HN) 3.725 1.734 1.734 weight 1.000 ! spec=HNH, no=2143, id=2002, vol=8.110000e+06
assign (resid 107 and name HD22) (resid 107 and name HN) 3.780 1.786 1.786 weight 1.000 ! spec=HNH, no=2144, id=2003, vol=7.430000e+06
assign (resid 107 and name HD21) (resid 107 and name HA) 3.512 1.541 1.541 weight 1.000 ! spec=HNH, no=2145, id=2004, vol=1.160000e+07
assign (resid 107 and name HD22) (resid 107 and name HA) 3.400 1.445 1.445 weight 1.000 ! spec=HNH, no=2146, id=2005, vol=1.400000e+07
assign (resid 107 and name HD21) (resid 107 and name HB2) 2.815 0.990 0.990 weight 1.000 ! spec=HNH, no=2147, id=2006, vol=4.350000e+07
assign (resid 107 and name HD22) (resid 107 and name HB2) 3.002 1.127 1.127 weight 1.000 ! spec=HNH, no=2148, id=2007, vol=2.960000e+07
assign (resid 107 and name HD21) (resid 107 and name HB1) 3.074 1.181 1.181 weight 1.000 ! spec=HNH, no=2149, id=2008, vol=2.570000e+07
assign (resid 107 and name HD22) (resid 107 and name HD21) 1.505 0.283 0.283 weight 1.000 ! spec=HNH, no=2153, id=2011, vol=1.870000e+09
assign (resid 108 and name HN) (resid 104 and name HA) 3.935 1.936 1.936 weight 1.000 ! spec=HNH, no=2155, id=2012, vol=5.840000e+06
assign (resid 108 and name HN) (resid 104 and name HD1) 3.753 1.760 1.760 weight 1.000 ! spec=HNH, no=2156, id=2013, vol=7.760000e+06
assign (resid 108 and name HN) (resid 104 and name HB1) 3.232 1.305 1.305 weight 1.000 ! spec=HNH, no=2157, id=2014, vol=1.900000e+07
assign (resid 108 and name HN) (resid 106 and name HB2) 4.054 2.055 2.055 weight 1.000 ! spec=HNH, no=2159, id=2016, vol=4.880000e+06
assign (resid 107 and name HN) (resid 108 and name HN) 2.704 0.914 0.914 weight 1.000 ! spec=HNH, no=2160, id=2017, vol=5.540000e+07
assign (resid 108 and name HN) (resid 107 and name HA) 2.810 0.987 0.987 weight 1.000 ! spec=HNH, no=2161, id=2018, vol=4.400000e+07
assign (resid 108 and name HN) (resid 107 and name HB2) 3.134 1.228 1.228 weight 1.000 ! spec=HNH, no=2162, id=2019, vol=2.290000e+07
assign (resid 108 and name HN) (resid 108 and name HA) 2.803 0.982 0.982 weight 1.000 ! spec=HNH, no=2165, id=2021, vol=4.470000e+07
assign (resid 108 and name HN) (resid 108 and name HB2) 2.948 1.087 1.087 weight 1.000 ! spec=HNH, no=2166, id=2022, vol=3.300000e+07
assign (resid 109 and name HN) (resid 108 and name HB2) 3.032 1.149 1.149 weight 1.000 ! spec=HNH, no=2170, id=2026, vol=2.790000e+07
assign (resid 109 and name HN) (resid 108 and name HB1) 2.812 0.988 0.988 weight 1.000 ! spec=HNH, no=2171, id=2027, vol=4.380000e+07
assign (resid 109 and name HN) (resid 109 and name HB2) 2.402 0.721 0.721 weight 1.000 ! spec=HNH, no=2174, id=2029, vol=1.130000e+08
assign (resid 109 and name HN) (resid 110 and name HN) 3.684 1.696 1.696 weight 1.000 ! spec=HNH, no=2175, id=2030, vol=8.670000e+06
assign (resid 109 and name HD21) (resid 111 and name HA) 2.798 0.979 0.979 weight 1.000 ! spec=HNH, no=2177, id=2032, vol=4.510000e+07
assign (resid 109 and name HD21) (resid 111 and name HG21) 3.559 1.583 1.583 weight 1.000 ! spec=HNH, no=2178, id=2033, vol=1.070000e+07
    or (resid 109 and name HD21) (resid 111 and name HG22)
    or (resid 109 and name HD21) (resid 111 and name HG23)
assign (resid 109 and name HD21) (resid 109 and name HN) 4.043 2.043 2.043 weight 1.000 ! spec=HNH, no=2180, id=2035, vol=4.960000e+06
assign (resid 109 and name HD22) (resid 109 and name HA) 3.590 1.611 1.611 weight 1.000 ! spec=HNH, no=2181, id=2036, vol=1.010000e+07
assign (resid 109 and name HD21) (resid 109 and name HD22) 2.081 0.541 0.541 weight 1.000 ! spec=HNH, no=2182, id=2037, vol=2.670000e+08
assign (resid 109 and name HD21) (resid 109 and name HB2) 2.853 1.017 1.017 weight 1.000 ! spec=HNH, no=2183, id=2038, vol=4.020000e+07
assign (resid 109 and name HD22) (resid 109 and name HB2) 2.562 0.820 0.820 weight 1.000 ! spec=HNH, no=2184, id=2039, vol=7.670000e+07
assign (resid 109 and name HD21) (resid 110 and name HN) 4.316 2.328 2.328 weight 1.000 ! spec=HNH, no=2185, id=2040, vol=3.350000e+06
assign (resid 109 and name HD22) (resid 111 and name HA) 2.708 0.917 0.917 weight 1.000 ! spec=HNH, no=2186, id=2041, vol=5.490000e+07
assign (resid 109 and name HD22) (resid 111 and name HG21) 3.642 1.658 1.658 weight 1.000 ! spec=HNH, no=2187, id=2042, vol=9.280000e+06
    or (resid 109 and name HD22) (resid 111 and name HG22)
    or (resid 109 and name HD22) (resid 111 and name HG23)
assign (resid 110 and name HN) (resid 103 and name HG2) 3.794 1.799 1.799 weight 1.000 ! spec=HNH, no=2189, id=2043, vol=7.270000e+06
    or (resid 110 and name HN) (resid 103 and name HG1)
assign (resid 104 and name HE1) (resid 110 and name HN) 4.172 2.176 2.176 weight 1.000 ! spec=HNH, no=2192, id=2046, vol=4.110000e+06
assign (resid 110 and name HN) (resid 109 and name HA) 2.562 0.821 0.821 weight 1.000 ! spec=HNH, no=2194, id=2048, vol=7.660000e+07
assign (resid 110 and name HN) (resid 110 and name HA) 3.288 1.352 1.352 weight 1.000 ! spec=HNH, no=2197, id=2050, vol=1.710000e+07
assign (resid 110 and name HN) (resid 110 and name HB2) 2.885 1.041 1.041 weight 1.000 ! spec=HNH, no=2198, id=2051, vol=3.760000e+07
assign (resid 110 and name HN) (resid 110 and name HB1) 2.827 0.999 0.999 weight 1.000 ! spec=HNH, no=2199, id=2052, vol=4.240000e+07
assign (resid 110 and name HN) (resid 110 and name HG2) 3.472 1.507 1.507 weight 1.000 ! spec=HNH, no=2200, id=2053, vol=1.240000e+07
assign (resid 110 and name HN) (resid 110 and name HG1) 3.450 1.488 1.488 weight 1.000 ! spec=HNH, no=2201, id=2054, vol=1.280000e+07
assign (resid 112 and name HN) (resid 110 and name HA) 3.483 1.516 1.516 weight 1.000 ! spec=HNH, no=2207, id=2060, vol=1.210000e+07
assign (resid 112 and name HN) (resid 104 and name HE1) 4.129 2.131 2.131 weight 1.000 ! spec=HNH, no=2212, id=2065, vol=4.370000e+06
assign (resid 112 and name HN) (resid 111 and name HB) 3.249 1.319 1.319 weight 1.000 ! spec=HNH, no=2213, id=2066, vol=1.840000e+07
assign (resid 112 and name HN) (resid 111 and name HG21) 3.515 1.545 1.545 weight 1.000 ! spec=HNH, no=2214, id=2067, vol=1.150000e+07
    or (resid 112 and name HN) (resid 111 and name HG22)
    or (resid 112 and name HN) (resid 111 and name HG23)
assign (resid 112 and name HN) (resid 112 and name HA) 2.606 0.849 0.849 weight 1.000 ! spec=HNH, no=2216, id=2068, vol=6.920000e+07
assign (resid 112 and name HN) (resid 112 and name HB2) 2.870 1.029 1.029 weight 1.000 ! spec=HNH, no=2217, id=2069, vol=3.880000e+07
assign (resid 112 and name HN) (resid 112 and name HB1) 2.978 1.109 1.109 weight 1.000 ! spec=HNH, no=2218, id=2070, vol=3.110000e+07
assign (resid 112 and name HN) (resid 112 and name HD1) 3.376 1.424 1.424 weight 1.000 ! spec=HNH, no=2219, id=2071, vol=1.460000e+07
assign (resid 112 and name HN) (resid 113 and name HN) 3.577 1.599 1.599 weight 1.000 ! spec=HNH, no=2220, id=2072, vol=1.030000e+07
assign (resid 113 and name HN) (resid 68 and name HA) 4.171 2.175 2.175 weight 1.000 ! spec=HNH, no=2221, id=2073, vol=4.110000e+06
assign (resid 113 and name HN) (resid 112 and name HA) 2.166 0.587 0.587 weight 1.000 ! spec=HNH, no=2223, id=2075, vol=2.100000e+08
assign (resid 113 and name HN) (resid 112 and name HB2) 3.081 1.187 1.187 weight 1.000 ! spec=HNH, no=2224, id=2076, vol=2.530000e+07
assign (resid 113 and name HN) (resid 112 and name HD1) 2.740 0.939 0.939 weight 1.000 ! spec=HNH, no=2226, id=2078, vol=5.110000e+07
assign (resid 113 and name HN) (resid 113 and name HB2) 3.215 1.292 1.292 weight 1.000 ! spec=HNH, no=2228, id=2079, vol=1.960000e+07
assign (resid 113 and name HN) (resid 113 and name HB1) 3.126 1.221 1.221 weight 1.000 ! spec=HNH, no=2229, id=2080, vol=2.320000e+07
assign (resid 113 and name HN) (resid 114 and name HN) 3.113 1.211 1.211 weight 1.000 ! spec=HNH, no=2230, id=2081, vol=2.380000e+07
assign (resid 113 and name HN) (resid 114 and name HA) 3.869 1.871 1.871 weight 1.000 ! spec=HNH, no=2231, id=2082, vol=6.460000e+06
assign (resid 113 and name HN) (resid 114 and name HG2) 3.980 1.980 1.980 weight 1.000 ! spec=HNH, no=2232, id=2083, vol=5.450000e+06
assign (resid 113 and name HN) (resid 114 and name HG1) 3.965 1.965 1.965 weight 1.000 ! spec=HNH, no=2233, id=2084, vol=5.580000e+06
assign (resid 113 and name HN) (resid 138 and name HH2) 3.705 1.716 1.716 weight 1.000 ! spec=HNH, no=2234, id=2085, vol=8.370000e+06
assign (resid 114 and name HN) (resid 112 and name HA) 4.445 2.470 2.470 weight 1.000 ! spec=HNH, no=2238, id=2089, vol=2.810000e+06
assign (resid 114 and name HN) (resid 104 and name HZ2) 3.971 1.971 1.971 weight 1.000 ! spec=HNH, no=2239, id=2090, vol=5.520000e+06
assign (resid 114 and name HN) (resid 112 and name HD1) 3.592 1.613 1.613 weight 1.000 ! spec=HNH, no=2241, id=2092, vol=1.010000e+07
assign (resid 114 and name HN) (resid 113 and name HA) 2.423 0.734 0.734 weight 1.000 ! spec=HNH, no=2243, id=2094, vol=1.070000e+08
assign (resid 114 and name HN) (resid 113 and name HB2) 2.606 0.849 0.849 weight 1.000 ! spec=HNH, no=2244, id=2095, vol=6.920000e+07
assign (resid 114 and name HN) (resid 114 and name HA) 2.777 0.964 0.964 weight 1.000 ! spec=HNH, no=2246, id=2096, vol=4.720000e+07
assign (resid 114 and name HN) (resid 114 and name HB2) 2.872 1.031 1.031 weight 1.000 ! spec=HNH, no=2247, id=2097, vol=3.860000e+07
assign (resid 114 and name HN) (resid 114 and name HD1) 3.754 1.762 1.762 weight 1.000 ! spec=HNH, no=2249, id=2099, vol=7.730000e+06
assign (resid 114 and name HN) (resid 115 and name HA) 3.707 1.718 1.718 weight 1.000 ! spec=HNH, no=2251, id=2101, vol=8.350000e+06
assign (resid 114 and name HN) (resid 115 and name HD1) 3.449 1.487 1.487 weight 1.000 ! spec=HNH, no=2252, id=2102, vol=1.290000e+07
assign (resid 114 and name HN) (resid 115 and name HE1) 4.077 2.077 2.077 weight 1.000 ! spec=HNH, no=2253, id=2103, vol=4.720000e+06
assign (resid 114 and name HN) (resid 115 and name HE3) 4.102 2.103 2.103 weight 1.000 ! spec=HNH, no=2254, id=2104, vol=4.550000e+06
assign (resid 114 and name HN) (resid 137 and name HA) 4.091 2.092 2.092 weight 1.000 ! spec=HNH, no=2255, id=2105, vol=4.620000e+06
assign (resid 114 and name HN) (resid 138 and name HN) 3.787 1.793 1.793 weight 1.000 ! spec=HNH, no=2256, id=2106, vol=7.340000e+06
assign (resid 114 and name HN) (resid 138 and name HH2) 3.522 1.551 1.551 weight 1.000 ! spec=HNH, no=2259, id=2109, vol=1.130000e+07
assign (resid 115 and name HN) (resid 113 and name HB2) 2.657 0.883 0.883 weight 1.000 ! spec=HNH, no=2262, id=2112, vol=6.150000e+07
assign (resid 114 and name HN) (resid 115 and name HN) 2.461 0.757 0.757 weight 1.000 ! spec=HNH, no=2263, id=2113, vol=9.750000e+07
assign (resid 115 and name HN) (resid 114 and name HA) 2.379 0.707 0.707 weight 1.000 ! spec=HNH, no=2264, id=2114, vol=1.200000e+08
assign (resid 115 and name HN) (resid 114 and name HB2) 3.503 1.534 1.534 weight 1.000 ! spec=HNH, no=2265, id=2115, vol=1.170000e+07
assign (resid 115 and name HN) (resid 115 and name HA) 2.749 0.944 0.944 weight 1.000 ! spec=HNH, no=2267, id=2116, vol=5.020000e+07
assign (resid 115 and name HN) (resid 115 and name HB2) 2.386 0.711 0.711 weight 1.000 ! spec=HNH, no=2268, id=2117, vol=1.180000e+08
assign (resid 115 and name HN) (resid 115 and name HE1) 3.681 1.694 1.694 weight 1.000 ! spec=HNH, no=2271, id=2120, vol=8.710000e+06
assign (resid 115 and name HN) (resid 138 and name HE3) 3.554 1.579 1.579 weight 1.000 ! spec=HNH, no=2273, id=2122, vol=1.070000e+07
assign (resid 115 and name HE1) (resid 93 and name HE2) 4.174 2.178 2.178 weight 1.000 ! spec=HNH, no=2280, id=2129, vol=4.090000e+06
    or (resid 115 and name HE1) (resid 93 and name HE1)
    or (resid 115 and name HE1) (resid 93 and name HE3)
assign (resid 115 and name HE1) (resid 113 and name HB2) 3.018 1.139 1.139 weight 1.000 ! spec=HNH, no=2281, id=2130, vol=2.860000e+07
assign (resid 115 and name HE1) (resid 113 and name HB1) 3.069 1.177 1.177 weight 1.000 ! spec=HNH, no=2282, id=2131, vol=2.590000e+07
assign (resid 115 and name HE1) (resid 115 and name HB2) 3.488 1.521 1.521 weight 1.000 ! spec=HNH, no=2285, id=2134, vol=1.200000e+07
assign (resid 115 and name HE1) (resid 115 and name HE3) 4.188 2.192 2.192 weight 1.000 ! spec=HNH, no=2288, id=2136, vol=4.020000e+06
assign (resid 115 and name HE1) (resid 138 and name HE3) 3.777 1.783 1.783 weight 1.000 ! spec=HNH, no=2291, id=2139, vol=7.470000e+06
assign (resid 115 and name HE1) (resid 140 and name HE2) 4.336 2.350 2.350 weight 1.000 ! spec=HNH, no=2292, id=2140, vol=3.260000e+06
assign (resid 116 and name HN) (resid 115 and name HD1) 4.019 2.019 2.019 weight 1.000 ! spec=HNH, no=2293, id=2141, vol=5.140000e+06
assign (resid 116 and name HN) (resid 138 and name HB2) 3.098 1.199 1.199 weight 1.000 ! spec=HNH, no=2295, id=2143, vol=2.450000e+07
assign (resid 116 and name HN) (resid 140 and name HG2) 4.250 2.258 2.258 weight 1.000 ! spec=HNH, no=2299, id=2147, vol=3.680000e+06
assign (resid 116 and name HN) (resid 139 and name HG1) 3.880 1.881 1.881 weight 1.000 ! spec=HNH, no=2300, id=2148, vol=6.350000e+06
assign (resid 116 and name HN) (resid 115 and name HZ3) 3.968 1.968 1.968 weight 1.000 ! spec=HNH, no=2301, id=2149, vol=5.550000e+06
assign (resid 116 and name HN) (resid 115 and name HA) 2.295 0.658 0.658 weight 1.000 ! spec=HNH, no=2302, id=2150, vol=1.480000e+08
assign (resid 116 and name HN) (resid 115 and name HB2) 3.094 1.197 1.197 weight 1.000 ! spec=HNH, no=2303, id=2151, vol=2.470000e+07
assign (resid 116 and name HN) (resid 115 and name HB1) 2.857 1.020 1.020 weight 1.000 ! spec=HNH, no=2304, id=2152, vol=3.990000e+07
assign (resid 116 and name HN) (resid 115 and name HE3) 2.990 1.118 1.118 weight 1.000 ! spec=HNH, no=2305, id=2153, vol=3.030000e+07
assign (resid 116 and name HN) (resid 116 and name HB) 2.649 0.877 0.877 weight 1.000 ! spec=HNH, no=2308, id=2155, vol=6.260000e+07
assign (resid 116 and name HN) (resid 137 and name HB1) 3.618 1.636 1.636 weight 1.000 ! spec=HNH, no=2310, id=2157, vol=9.660000e+06
assign (resid 116 and name HN) (resid 138 and name HN) 2.878 1.035 1.035 weight 1.000 ! spec=HNH, no=2311, id=2158, vol=3.810000e+07
assign (resid 116 and name HN) (resid 138 and name HA) 4.185 2.189 2.189 weight 1.000 ! spec=HNH, no=2312, id=2159, vol=4.030000e+06
assign (resid 116 and name HN) (resid 139 and name HN) 4.106 2.107 2.107 weight 1.000 ! spec=HNH, no=2313, id=2160, vol=4.520000e+06
assign (resid 116 and name HN) (resid 139 and name HA) 3.287 1.350 1.350 weight 1.000 ! spec=HNH, no=2314, id=2161, vol=1.720000e+07
assign (resid 117 and name HN) (resid 116 and name HA) 2.139 0.572 0.572 weight 1.000 ! spec=HNH, no=2322, id=2169, vol=2.260000e+08
assign (resid 117 and name HN) (resid 117 and name HB2) 2.219 0.615 0.615 weight 1.000 ! spec=HNH, no=2326, id=2172, vol=1.820000e+08
assign (resid 118 and name HN) (resid 118 and name HA) 2.464 0.759 0.759 weight 1.000 ! spec=HNH, no=2334, id=2178, vol=9.670000e+07
assign (resid 118 and name HN) (resid 118 and name HB2) 2.502 0.782 0.782 weight 1.000 ! spec=HNH, no=2335, id=2179, vol=8.840000e+07
assign (resid 118 and name HN) (resid 118 and name HG2) 2.554 0.815 0.815 weight 1.000 ! spec=HNH, no=2337, id=2181, vol=7.810000e+07
assign (resid 118 and name HE21) (resid 120 and name HB2) 3.641 1.657 1.657 weight 1.000 ! spec=HNH, no=2340, id=2184, vol=9.290000e+06
    or (resid 118 and name HE21) (resid 120 and name HB1)
assign (resid 118 and name HE22) (resid 140 and name HB2) 3.237 1.310 1.310 weight 1.000 ! spec=HNH, no=2343, id=2186, vol=1.880000e+07
assign (resid 118 and name HE21) (resid 118 and name HA) 3.886 1.887 1.887 weight 1.000 ! spec=HNH, no=2350, id=2193, vol=6.290000e+06
assign (resid 118 and name HE21) (resid 118 and name HB2) 3.234 1.307 1.307 weight 1.000 ! spec=HNH, no=2351, id=2194, vol=1.890000e+07
assign (resid 118 and name HE22) (resid 118 and name HB2) 3.610 1.629 1.629 weight 1.000 ! spec=HNH, no=2352, id=2195, vol=9.780000e+06
assign (resid 118 and name HE21) (resid 118 and name HB1) 3.119 1.216 1.216 weight 1.000 ! spec=HNH, no=2353, id=2196, vol=2.360000e+07
assign (resid 118 and name HE22) (resid 118 and name HB1) 3.553 1.578 1.578 weight 1.000 ! spec=HNH, no=2354, id=2197, vol=1.080000e+07
assign (resid 118 and name HE22) (resid 118 and name HE21) 1.611 0.324 0.324 weight 1.000 ! spec=HNH, no=2357, id=2199, vol=1.240000e+09
assign (resid 118 and name HE21) (resid 118 and name HG2) 2.452 0.752 0.752 weight 1.000 ! spec=HNH, no=2359, id=2200, vol=9.960000e+07
assign (resid 118 and name HE22) (resid 118 and name HG2) 2.777 0.964 0.964 weight 1.000 ! spec=HNH, no=2360, id=2201, vol=4.730000e+07
assign (resid 118 and name HE22) (resid 120 and name HB2) 3.659 1.673 1.673 weight 1.000 ! spec=HNH, no=2363, id=2204, vol=9.030000e+06
assign (resid 118 and name HE22) (resid 139 and name HN) 4.129 2.131 2.131 weight 1.000 ! spec=HNH, no=2364, id=2205, vol=4.370000e+06
assign (resid 118 and name HE21) (resid 139 and name HA) 4.024 2.024 2.024 weight 1.000 ! spec=HNH, no=2365, id=2206, vol=5.100000e+06
assign (resid 118 and name HE22) (resid 139 and name HA) 3.655 1.670 1.670 weight 1.000 ! spec=HNH, no=2366, id=2207, vol=9.080000e+06
assign (resid 118 and name HE21) (resid 140 and name HN) 3.234 1.308 1.308 weight 1.000 ! spec=HNH, no=2367, id=2208, vol=1.890000e+07
assign (resid 118 and name HE22) (resid 140 and name HN) 2.934 1.076 1.076 weight 1.000 ! spec=HNH, no=2368, id=2209, vol=3.390000e+07
assign (resid 118 and name HE21) (resid 140 and name HA) 4.289 2.299 2.299 weight 1.000 ! spec=HNH, no=2369, id=2210, vol=3.480000e+06
assign (resid 118 and name HE21) (resid 140 and name HB1) 3.530 1.558 1.558 weight 1.000 ! spec=HNH, no=2371, id=2212, vol=1.120000e+07
assign (resid 118 and name HE22) (resid 140 and name HB1) 3.327 1.384 1.384 weight 1.000 ! spec=HNH, no=2372, id=2213, vol=1.600000e+07
assign (resid 118 and name HE21) (resid 140 and name HD2) 3.479 1.513 1.513 weight 1.000 ! spec=HNH, no=2373, id=2214, vol=1.220000e+07
assign (resid 118 and name HE22) (resid 140 and name HD2) 3.409 1.452 1.452 weight 1.000 ! spec=HNH, no=2374, id=2215, vol=1.380000e+07
assign (resid 119 and name HN) (resid 118 and name HG2) 2.731 0.932 0.932 weight 1.000 ! spec=HNH, no=2377, id=2218, vol=5.220000e+07
    or (resid 119 and name HN) (resid 118 and name HG1)
assign (resid 119 and name HN) (resid 118 and name HB1) 2.709 0.917 0.917 weight 1.000 ! spec=HNH, no=2378, id=2219, vol=5.490000e+07
assign (resid 119 and name HN) (resid 118 and name HA) 2.188 0.598 0.598 weight 1.000 ! spec=HNH, no=2383, id=2224, vol=1.980000e+08
assign (resid 120 and name HN) (resid 119 and name HA) 2.126 0.565 0.565 weight 1.000 ! spec=HNH, no=2393, id=2233, vol=2.350000e+08
assign (resid 121 and name HN) (resid 121 and name HB2) 2.185 0.597 0.597 weight 1.000 ! spec=HNH, no=2398, id=2236, vol=1.990000e+08
assign (resid 121 and name HN) (resid 124 and name HD12) 3.217 1.293 1.293 weight 1.000 ! spec=HNH, no=2399, id=2237, vol=1.960000e+07
    or (resid 121 and name HN) (resid 124 and name HD11)
    or (resid 121 and name HN) (resid 124 and name HD13)
assign (resid 122 and name HN) (resid 121 and name HB2) 2.797 0.978 0.978 weight 1.000 ! spec=HNH, no=2403, id=2241, vol=4.520000e+07
assign (resid 122 and name HN) (resid 122 and name HA) 2.483 0.771 0.771 weight 1.000 ! spec=HNH, no=2405, id=2242, vol=9.250000e+07
assign (resid 122 and name HN) (resid 122 and name HB2) 2.350 0.690 0.690 weight 1.000 ! spec=HNH, no=2406, id=2243, vol=1.290000e+08
assign (resid 122 and name HN) (resid 122 and name HG2) 2.638 0.870 0.870 weight 1.000 ! spec=HNH, no=2408, id=2245, vol=6.430000e+07
assign (resid 123 and name HN) (resid 122 and name HB1) 2.590 0.839 0.839 weight 1.000 ! spec=HNH, no=2410, id=2247, vol=7.170000e+07
assign (resid 123 and name HN) (resid 122 and name HG2) 2.847 1.013 1.013 weight 1.000 ! spec=HNH, no=2411, id=2248, vol=4.070000e+07
assign (resid 123 and name HN) (resid 123 and name HA) 2.303 0.663 0.663 weight 1.000 ! spec=HNH, no=2413, id=2249, vol=1.450000e+08
assign (resid 124 and name HN) (resid 95 and name HB2) 4.347 2.362 2.362 weight 1.000 ! spec=HNH, no=2417, id=2253, vol=3.210000e+06
assign (resid 124 and name HN) (resid 125 and name HB) 3.688 1.700 1.700 weight 1.000 ! spec=HNH, no=2418, id=2254, vol=8.610000e+06
assign (resid 124 and name HN) (resid 141 and name HA2) 3.690 1.702 1.702 weight 1.000 ! spec=HNH, no=2421, id=2257, vol=8.580000e+06
assign (resid 124 and name HN) (resid 95 and name HD1) 4.255 2.263 2.263 weight 1.000 ! spec=HNH, no=2427, id=2263, vol=3.650000e+06
assign (resid 124 and name HN) (resid 95 and name HE1) 4.337 2.351 2.351 weight 1.000 ! spec=HNH, no=2428, id=2264, vol=3.260000e+06
assign (resid 124 and name HN) (resid 102 and name HZ) 4.276 2.286 2.286 weight 1.000 ! spec=HNH, no=2429, id=2265, vol=3.540000e+06
assign (resid 124 and name HN) (resid 123 and name HA) 2.103 0.553 0.553 weight 1.000 ! spec=HNH, no=2431, id=2267, vol=2.510000e+08
assign (resid 124 and name HN) (resid 123 and name HB2) 2.915 1.062 1.062 weight 1.000 ! spec=HNH, no=2432, id=2268, vol=3.530000e+07
assign (resid 124 and name HN) (resid 124 and name HA) 2.450 0.751 0.751 weight 1.000 ! spec=HNH, no=2434, id=2269, vol=1.000000e+08
assign (resid 124 and name HN) (resid 125 and name HG22) 2.921 1.067 1.067 weight 1.000 ! spec=HNH, no=2439, id=2274, vol=3.490000e+07
    or (resid 124 and name HN) (resid 125 and name HG21)
    or (resid 124 and name HN) (resid 125 and name HG23)
assign (resid 125 and name HN) (resid 123 and name HB2) 3.714 1.724 1.724 weight 1.000 ! spec=HNH, no=2442, id=2277, vol=8.260000e+06
    or (resid 125 and name HN) (resid 123 and name HB1)
assign (resid 125 and name HN) (resid 142 and name HD22) 3.875 1.877 1.877 weight 1.000 ! spec=HNH, no=2443, id=2278, vol=6.390000e+06
assign (resid 125 and name HN) (resid 123 and name HA) 3.099 1.200 1.200 weight 1.000 ! spec=HNH, no=2449, id=2284, vol=2.450000e+07
assign (resid 125 and name HN) (resid 124 and name HA) 2.258 0.637 0.637 weight 1.000 ! spec=HNH, no=2450, id=2285, vol=1.630000e+08
assign (resid 125 and name HN) (resid 124 and name HD22) 2.879 1.036 1.036 weight 1.000 ! spec=HNH, no=2452, id=2287, vol=3.810000e+07
    or (resid 125 and name HN) (resid 124 and name HD21)
    or (resid 125 and name HN) (resid 124 and name HD23)
assign (resid 125 and name HN) (resid 125 and name HB) 2.305 0.664 0.664 weight 1.000 ! spec=HNH, no=2455, id=2289, vol=1.450000e+08
assign (resid 125 and name HN) (resid 126 and name HN) 2.457 0.754 0.754 weight 1.000 ! spec=HNH, no=2457, id=2291, vol=9.850000e+07
assign (resid 125 and name HN) (resid 126 and name HB2) 3.692 1.704 1.704 weight 1.000 ! spec=HNH, no=2458, id=2292, vol=8.560000e+06
assign (resid 125 and name HN) (resid 126 and name HB1) 3.329 1.385 1.385 weight 1.000 ! spec=HNH, no=2459, id=2293, vol=1.590000e+07
assign (resid 126 and name HN) (resid 124 and name HA) 2.850 1.015 1.015 weight 1.000 ! spec=HNH, no=2463, id=2297, vol=4.040000e+07
assign (resid 126 and name HN) (resid 124 and name HD22) 3.306 1.367 1.367 weight 1.000 ! spec=HNH, no=2464, id=2298, vol=1.660000e+07
    or (resid 126 and name HN) (resid 124 and name HD21)
    or (resid 126 and name HN) (resid 124 and name HD23)
assign (resid 126 and name HN) (resid 125 and name HB) 2.642 0.873 0.873 weight 1.000 ! spec=HNH, no=2467, id=2301, vol=6.370000e+07
assign (resid 126 and name HN) (resid 126 and name HB2) 2.520 0.794 0.794 weight 1.000 ! spec=HNH, no=2472, id=2305, vol=8.450000e+07
assign (resid 126 and name HN) (resid 126 and name HB1) 2.688 0.903 0.903 weight 1.000 ! spec=HNH, no=2473, id=2306, vol=5.740000e+07
assign (resid 126 and name HN) (resid 127 and name HG21) 2.985 1.114 1.114 weight 1.000 ! spec=HNH, no=2475, id=2308, vol=3.060000e+07
    or (resid 126 and name HN) (resid 127 and name HG22)
    or (resid 126 and name HN) (resid 127 and name HG23)
assign (resid 127 and name HN) (resid 124 and name HD22) 3.690 1.702 1.702 weight 1.000 ! spec=HNH, no=2488, id=2321, vol=8.590000e+06
    or (resid 127 and name HN) (resid 124 and name HD21)
    or (resid 127 and name HN) (resid 124 and name HD23)
assign (resid 127 and name HN) (resid 125 and name HN) 3.003 1.127 1.127 weight 1.000 ! spec=HNH, no=2489, id=2322, vol=2.950000e+07
assign (resid 127 and name HN) (resid 125 and name HA) 3.278 1.343 1.343 weight 1.000 ! spec=HNH, no=2490, id=2323, vol=1.750000e+07
assign (resid 127 and name HN) (resid 125 and name HB) 3.953 1.953 1.953 weight 1.000 ! spec=HNH, no=2491, id=2324, vol=5.680000e+06
assign (resid 126 and name HN) (resid 127 and name HN) 2.634 0.867 0.867 weight 1.000 ! spec=HNH, no=2492, id=2325, vol=6.490000e+07
assign (resid 127 and name HN) (resid 126 and name HB2) 3.052 1.164 1.164 weight 1.000 ! spec=HNH, no=2494, id=2327, vol=2.680000e+07
assign (resid 127 and name HN) (resid 127 and name HA) 2.643 0.873 0.873 weight 1.000 ! spec=HNH, no=2497, id=2329, vol=6.350000e+07
assign (resid 127 and name HN) (resid 127 and name HB) 2.484 0.771 0.771 weight 1.000 ! spec=HNH, no=2498, id=2330, vol=9.220000e+07
assign (resid 127 and name HN) (resid 127 and name HG21) 2.636 0.868 0.868 weight 1.000 ! spec=HNH, no=2499, id=2331, vol=6.460000e+07
    or (resid 127 and name HN) (resid 127 and name HG22)
    or (resid 127 and name HN) (resid 127 and name HG23)
assign (resid 127 and name HN) (resid 142 and name HN) 4.252 2.260 2.260 weight 1.000 ! spec=HNH, no=2505, id=2337, vol=3.660000e+06
assign (resid 128 and name HN) (resid 130 and name HE1) 3.646 1.662 1.662 weight 1.000 ! spec=HNH, no=2510, id=2342, vol=9.220000e+06
    or (resid 128 and name HN) (resid 130 and name HE2)
assign (resid 127 and name HN) (resid 128 and name HN) 3.110 1.209 1.209 weight 1.000 ! spec=HNH, no=2513, id=2345, vol=2.390000e+07
assign (resid 128 and name HN) (resid 128 and name HA) 2.724 0.928 0.928 weight 1.000 ! spec=HNH, no=2518, id=2349, vol=5.300000e+07
assign (resid 128 and name HN) (resid 130 and name HD1) 4.129 2.132 2.132 weight 1.000 ! spec=HNH, no=2520, id=2351, vol=4.370000e+06
assign (resid 128 and name HN) (resid 141 and name HA2) 3.827 1.831 1.831 weight 1.000 ! spec=HNH, no=2527, id=2358, vol=6.890000e+06
assign (resid 128 and name HN) (resid 142 and name HN) 3.961 1.961 1.961 weight 1.000 ! spec=HNH, no=2528, id=2359, vol=5.610000e+06
assign (resid 129 and name HN) (resid 90 and name HD12) 3.260 1.328 1.328 weight 1.000 ! spec=HNH, no=2532, id=2363, vol=1.810000e+07
    or (resid 129 and name HN) (resid 90 and name HD11)
    or (resid 129 and name HN) (resid 90 and name HD13)
assign (resid 129 and name HN) (resid 91 and name HN) 3.814 1.818 1.818 weight 1.000 ! spec=HNH, no=2534, id=2365, vol=7.040000e+06
assign (resid 129 and name HN) (resid 91 and name HD22) 3.978 1.978 1.978 weight 1.000 ! spec=HNH, no=2535, id=2366, vol=5.460000e+06
    or (resid 129 and name HN) (resid 91 and name HD21)
    or (resid 129 and name HN) (resid 91 and name HD23)
assign (resid 129 and name HN) (resid 128 and name HA) 2.385 0.711 0.711 weight 1.000 ! spec=HNH, no=2539, id=2370, vol=1.180000e+08
assign (resid 129 and name HN) (resid 128 and name HB2) 2.445 0.747 0.747 weight 1.000 ! spec=HNH, no=2540, id=2371, vol=1.010000e+08
assign (resid 129 and name HN) (resid 129 and name HA) 2.926 1.071 1.071 weight 1.000 ! spec=HNH, no=2542, id=2372, vol=3.450000e+07
assign (resid 130 and name HN) (resid 139 and name HG2) 3.338 1.393 1.393 weight 1.000 ! spec=HNH, no=2550, id=2380, vol=1.570000e+07
assign (resid 130 and name HN) (resid 88 and name HB2) 3.517 1.546 1.546 weight 1.000 ! spec=HNH, no=2557, id=2385, vol=1.140000e+07
assign (resid 130 and name HN) (resid 90 and name HA) 3.900 1.901 1.901 weight 1.000 ! spec=HNH, no=2558, id=2386, vol=6.160000e+06
assign (resid 130 and name HN) (resid 90 and name HD22) 3.957 1.957 1.957 weight 1.000 ! spec=HNH, no=2560, id=2388, vol=5.650000e+06
    or (resid 130 and name HN) (resid 90 and name HD21)
    or (resid 130 and name HN) (resid 90 and name HD23)
assign (resid 130 and name HN) (resid 91 and name HA) 4.396 2.415 2.415 weight 1.000 ! spec=HNH, no=2561, id=2389, vol=3.000000e+06
assign (resid 130 and name HN) (resid 91 and name HD22) 3.457 1.494 1.494 weight 1.000 ! spec=HNH, no=2562, id=2390, vol=1.270000e+07
    or (resid 130 and name HN) (resid 91 and name HD21)
    or (resid 130 and name HN) (resid 91 and name HD23)
assign (resid 130 and name HN) (resid 115 and name HH2) 3.978 1.978 1.978 weight 1.000 ! spec=HNH, no=2563, id=2391, vol=5.470000e+06
assign (resid 130 and name HN) (resid 115 and name HZ3) 3.939 1.940 1.940 weight 1.000 ! spec=HNH, no=2564, id=2392, vol=5.800000e+06
assign (resid 130 and name HN) (resid 129 and name HA) 2.283 0.651 0.651 weight 1.000 ! spec=HNH, no=2565, id=2393, vol=1.530000e+08
assign (resid 130 and name HN) (resid 130 and name HA) 2.929 1.072 1.072 weight 1.000 ! spec=HNH, no=2568, id=2395, vol=3.430000e+07
assign (resid 130 and name HN) (resid 130 and name HE1) 3.780 1.786 1.786 weight 1.000 ! spec=HNH, no=2570, id=2397, vol=7.430000e+06
assign (resid 130 and name HN) (resid 139 and name HB2) 3.472 1.506 1.506 weight 1.000 ! spec=HNH, no=2574, id=2401, vol=1.240000e+07
assign (resid 89 and name HN) (resid 131 and name HN) 2.972 1.104 1.104 weight 1.000 ! spec=HNH, no=2580, id=2407, vol=3.140000e+07
assign (resid 131 and name HN) (resid 88 and name HA) 3.634 1.651 1.651 weight 1.000 ! spec=HNH, no=2594, id=2419, vol=9.410000e+06
assign (resid 131 and name HN) (resid 88 and name HB2) 3.564 1.588 1.588 weight 1.000 ! spec=HNH, no=2595, id=2420, vol=1.060000e+07
assign (resid 131 and name HN) (resid 89 and name HA) 3.960 1.960 1.960 weight 1.000 ! spec=HNH, no=2596, id=2421, vol=5.620000e+06
assign (resid 131 and name HN) (resid 90 and name HA) 3.393 1.439 1.439 weight 1.000 ! spec=HNH, no=2598, id=2423, vol=1.420000e+07
assign (resid 91 and name HN) (resid 131 and name HN) 3.310 1.369 1.369 weight 1.000 ! spec=HNH, no=2599, id=2424, vol=1.650000e+07
assign (resid 131 and name HN) (resid 91 and name HB1) 3.254 1.324 1.324 weight 1.000 ! spec=HNH, no=2600, id=2425, vol=1.820000e+07
assign (resid 131 and name HN) (resid 91 and name HD22) 3.328 1.384 1.384 weight 1.000 ! spec=HNH, no=2602, id=2427, vol=1.600000e+07
    or (resid 131 and name HN) (resid 91 and name HD21)
    or (resid 131 and name HN) (resid 91 and name HD23)
assign (resid 131 and name HN) (resid 130 and name HA) 2.423 0.734 0.734 weight 1.000 ! spec=HNH, no=2603, id=2428, vol=1.070000e+08
assign (resid 131 and name HN) (resid 130 and name HB2) 2.803 0.982 0.982 weight 1.000 ! spec=HNH, no=2604, id=2429, vol=4.470000e+07
assign (resid 131 and name HN) (resid 131 and name HA) 3.174 1.259 1.259 weight 1.000 ! spec=HNH, no=2607, id=2431, vol=2.120000e+07
assign (resid 131 and name HN) (resid 131 and name HB2) 2.761 0.953 0.953 weight 1.000 ! spec=HNH, no=2608, id=2432, vol=4.890000e+07
assign (resid 131 and name HN) (resid 131 and name HB1) 2.669 0.890 0.890 weight 1.000 ! spec=HNH, no=2609, id=2433, vol=6.000000e+07
assign (resid 131 and name HN) (resid 132 and name HA) 4.105 2.107 2.107 weight 1.000 ! spec=HNH, no=2611, id=2435, vol=4.530000e+06
assign (resid 131 and name HN) (resid 133 and name HN) 4.249 2.257 2.257 weight 1.000 ! spec=HNH, no=2612, id=2436, vol=3.680000e+06
assign (resid 131 and name HN) (resid 138 and name HA) 4.094 2.095 2.095 weight 1.000 ! spec=HNH, no=2613, id=2437, vol=4.600000e+06
assign (resid 131 and name HN) (resid 138 and name HD1) 3.413 1.456 1.456 weight 1.000 ! spec=HNH, no=2614, id=2438, vol=1.370000e+07
assign (resid 131 and name HN) (resid 138 and name HE1) 4.175 2.179 2.179 weight 1.000 ! spec=HNH, no=2615, id=2439, vol=4.090000e+06
assign (resid 132 and name HN) (resid 136 and name HA1) 4.178 2.182 2.182 weight 1.000 ! spec=HNH, no=2619, id=2443, vol=4.070000e+06
assign (resid 132 and name HN) (resid 131 and name HB1) 3.494 1.526 1.526 weight 1.000 ! spec=HNH, no=2628, id=2452, vol=1.190000e+07
assign (resid 132 and name HN) (resid 137 and name HB2) 3.921 1.922 1.922 weight 1.000 ! spec=HNH, no=2629, id=2453, vol=5.960000e+06
assign (resid 132 and name HN) (resid 88 and name HA) 4.136 2.138 2.138 weight 1.000 ! spec=HNH, no=2630, id=2454, vol=4.330000e+06
assign (resid 132 and name HN) (resid 88 and name HB2) 3.888 1.890 1.890 weight 1.000 ! spec=HNH, no=2631, id=2455, vol=6.270000e+06
assign (resid 132 and name HN) (resid 91 and name HD12) 4.053 2.053 2.053 weight 1.000 ! spec=HNH, no=2632, id=2456, vol=4.890000e+06
    or (resid 132 and name HN) (resid 91 and name HD11)
    or (resid 132 and name HN) (resid 91 and name HD13)
assign (resid 132 and name HN) (resid 91 and name HD22) 4.052 2.052 2.052 weight 1.000 ! spec=HNH, no=2633, id=2457, vol=4.900000e+06
    or (resid 132 and name HN) (resid 91 and name HD21)
    or (resid 132 and name HN) (resid 91 and name HD23)
assign (resid 132 and name HN) (resid 131 and name HA) 2.412 0.727 0.727 weight 1.000 ! spec=HNH, no=2634, id=2458, vol=1.100000e+08
assign (resid 132 and name HN) (resid 131 and name HG) 3.041 1.156 1.156 weight 1.000 ! spec=HNH, no=2635, id=2459, vol=2.740000e+07
assign (resid 132 and name HN) (resid 131 and name HD22) 3.321 1.379 1.379 weight 1.000 ! spec=HNH, no=2637, id=2461, vol=1.610000e+07
    or (resid 132 and name HN) (resid 131 and name HD21)
    or (resid 132 and name HN) (resid 131 and name HD23)
assign (resid 132 and name HN) (resid 132 and name HA) 3.088 1.192 1.192 weight 1.000 ! spec=HNH, no=2639, id=2462, vol=2.500000e+07
assign (resid 132 and name HN) (resid 132 and name HB2) 2.688 0.903 0.903 weight 1.000 ! spec=HNH, no=2640, id=2463, vol=5.740000e+07
assign (resid 132 and name HN) (resid 132 and name HB1) 2.681 0.899 0.899 weight 1.000 ! spec=HNH, no=2641, id=2464, vol=5.830000e+07
assign (resid 132 and name HN) (resid 133 and name HN) 3.610 1.629 1.629 weight 1.000 ! spec=HNH, no=2642, id=2465, vol=9.790000e+06
assign (resid 133 and name HN) (resid 137 and name HB2) 4.493 2.524 2.524 weight 1.000 ! spec=HNH, no=2652, id=2475, vol=2.630000e+06
assign (resid 133 and name HN) (resid 133 and name HD12) 2.954 1.091 1.091 weight 1.000 ! spec=HNH, no=2653, id=2476, vol=3.260000e+07
    or (resid 133 and name HN) (resid 133 and name HD11)
    or (resid 133 and name HN) (resid 133 and name HD13)
assign (resid 133 and name HN) (resid 134 and name HA) 4.304 2.316 2.316 weight 1.000 ! spec=HNH, no=2654, id=2477, vol=3.410000e+06
assign (resid 133 and name HN) (resid 136 and name HN) 4.106 2.108 2.108 weight 1.000 ! spec=HNH, no=2661, id=2482, vol=4.520000e+06
assign (resid 133 and name HN) (resid 133 and name HG22) 2.765 0.956 0.956 weight 1.000 ! spec=HNH, no=2662, id=2483, vol=4.840000e+07
    or (resid 133 and name HN) (resid 133 and name HG21)
    or (resid 133 and name HN) (resid 133 and name HG23)
assign (resid 133 and name HN) (resid 135 and name HN) 4.191 2.196 2.196 weight 1.000 ! spec=HNH, no=2664, id=2485, vol=4.000000e+06
assign (resid 133 and name HN) (resid 86 and name HG2) 4.041 2.042 2.042 weight 1.000 ! spec=HNH, no=2666, id=2487, vol=4.970000e+06
assign (resid 133 and name HN) (resid 87 and name HB2) 3.831 1.835 1.835 weight 1.000 ! spec=HNH, no=2667, id=2488, vol=6.850000e+06
assign (resid 133 and name HN) (resid 88 and name HB2) 3.754 1.762 1.762 weight 1.000 ! spec=HNH, no=2669, id=2490, vol=7.740000e+06
assign (resid 133 and name HN) (resid 89 and name HN) 3.632 1.649 1.649 weight 1.000 ! spec=HNH, no=2670, id=2491, vol=9.440000e+06
assign (resid 133 and name HN) (resid 131 and name HA) 3.871 1.873 1.873 weight 1.000 ! spec=HNH, no=2671, id=2492, vol=6.440000e+06
assign (resid 133 and name HN) (resid 131 and name HD12) 3.474 1.508 1.508 weight 1.000 ! spec=HNH, no=2672, id=2493, vol=1.230000e+07
    or (resid 133 and name HN) (resid 131 and name HD11)
    or (resid 133 and name HN) (resid 131 and name HD13)
assign (resid 133 and name HN) (resid 132 and name HB2) 3.499 1.530 1.530 weight 1.000 ! spec=HNH, no=2675, id=2496, vol=1.180000e+07
assign (resid 133 and name HN) (resid 133 and name HB) 2.599 0.844 0.844 weight 1.000 ! spec=HNH, no=2678, id=2498, vol=7.040000e+07
assign (resid 133 and name HN) (resid 133 and name HG12) 2.809 0.986 0.986 weight 1.000 ! spec=HNH, no=2679, id=2499, vol=4.410000e+07
assign (resid 133 and name HN) (resid 134 and name HN) 3.195 1.276 1.276 weight 1.000 ! spec=HNH, no=2680, id=2500, vol=2.040000e+07
assign (resid 134 and name HN) (resid 132 and name HB2) 3.189 1.272 1.272 weight 1.000 ! spec=HNH, no=2689, id=2509, vol=2.060000e+07
assign (resid 134 and name HN) (resid 76 and name HD22) 4.140 2.143 2.143 weight 1.000 ! spec=HNH, no=2694, id=2513, vol=4.300000e+06
    or (resid 134 and name HN) (resid 76 and name HD21)
    or (resid 134 and name HN) (resid 76 and name HD23)
assign (resid 134 and name HN) (resid 87 and name HA) 4.395 2.414 2.414 weight 1.000 ! spec=HNH, no=2695, id=2514, vol=3.010000e+06
assign (resid 134 and name HN) (resid 88 and name HA) 4.509 2.541 2.541 weight 1.000 ! spec=HNH, no=2697, id=2516, vol=2.580000e+06
assign (resid 135 and name HN) (resid 76 and name HD12) 3.639 1.656 1.656 weight 1.000 ! spec=HNH, no=2710, id=2528, vol=9.320000e+06
    or (resid 135 and name HN) (resid 76 and name HD11)
    or (resid 135 and name HN) (resid 76 and name HD13)
assign (resid 135 and name HN) (resid 132 and name HN) 4.117 2.119 2.119 weight 1.000 ! spec=HNH, no=2712, id=2530, vol=4.450000e+06
assign (resid 135 and name HN) (resid 133 and name HB) 4.041 2.041 2.041 weight 1.000 ! spec=HNH, no=2714, id=2532, vol=4.980000e+06
assign (resid 135 and name HN) (resid 133 and name HD12) 3.982 1.982 1.982 weight 1.000 ! spec=HNH, no=2715, id=2533, vol=5.430000e+06
    or (resid 135 and name HN) (resid 133 and name HD11)
    or (resid 135 and name HN) (resid 133 and name HD13)
assign (resid 134 and name HN) (resid 135 and name HN) 3.021 1.141 1.141 weight 1.000 ! spec=HNH, no=2716, id=2534, vol=2.850000e+07
assign (resid 135 and name HN) (resid 134 and name HA) 3.339 1.393 1.393 weight 1.000 ! spec=HNH, no=2717, id=2535, vol=1.560000e+07
assign (resid 135 and name HN) (resid 134 and name HB2) 2.806 0.984 0.984 weight 1.000 ! spec=HNH, no=2718, id=2536, vol=4.440000e+07
assign (resid 135 and name HN) (resid 135 and name HA) 3.008 1.131 1.131 weight 1.000 ! spec=HNH, no=2720, id=2537, vol=2.930000e+07
assign (resid 135 and name HN) (resid 136 and name HA2) 3.145 1.237 1.237 weight 1.000 ! spec=HNH, no=2723, id=2540, vol=2.240000e+07
assign (resid 135 and name HN) (resid 137 and name HB2) 4.216 2.222 2.222 weight 1.000 ! spec=HNH, no=2726, id=2543, vol=3.860000e+06
assign (resid 136 and name HN) (resid 134 and name HA) 3.665 1.679 1.679 weight 1.000 ! spec=HNH, no=2727, id=2544, vol=8.940000e+06
assign (resid 72 and name HD21) (resid 136 and name HN) 4.202 2.207 2.207 weight 1.000 ! spec=HNH, no=2730, id=2546, vol=3.930000e+06
assign (resid 136 and name HN) (resid 76 and name HD12) 2.797 0.978 0.978 weight 1.000 ! spec=HNH, no=2731, id=2547, vol=4.520000e+07
    or (resid 136 and name HN) (resid 76 and name HD11)
    or (resid 136 and name HN) (resid 76 and name HD13)
assign (resid 136 and name HN) (resid 76 and name HD22) 2.719 0.924 0.924 weight 1.000 ! spec=HNH, no=2732, id=2548, vol=5.360000e+07
    or (resid 136 and name HN) (resid 76 and name HD21)
    or (resid 136 and name HN) (resid 76 and name HD23)
assign (resid 136 and name HN) (resid 131 and name HD12) 2.709 0.917 0.917 weight 1.000 ! spec=HNH, no=2733, id=2549, vol=5.480000e+07
    or (resid 136 and name HN) (resid 131 and name HD11)
    or (resid 136 and name HN) (resid 131 and name HD13)
assign (resid 132 and name HN) (resid 136 and name HN) 4.035 2.035 2.035 weight 1.000 ! spec=HNH, no=2735, id=2551, vol=5.020000e+06
assign (resid 136 and name HN) (resid 132 and name HA) 4.450 2.475 2.475 weight 1.000 ! spec=HNH, no=2736, id=2552, vol=2.790000e+06
assign (resid 136 and name HN) (resid 132 and name HE1) 3.912 1.913 1.913 weight 1.000 ! spec=HNH, no=2738, id=2554, vol=6.040000e+06
assign (resid 136 and name HN) (resid 134 and name HN) 3.556 1.581 1.581 weight 1.000 ! spec=HNH, no=2740, id=2556, vol=1.070000e+07
assign (resid 136 and name HN) (resid 134 and name HB2) 3.371 1.421 1.421 weight 1.000 ! spec=HNH, no=2741, id=2557, vol=1.480000e+07
assign (resid 135 and name HN) (resid 136 and name HN) 2.360 0.696 0.696 weight 1.000 ! spec=HNH, no=2742, id=2558, vol=1.250000e+08
assign (resid 136 and name HN) (resid 135 and name HA) 3.225 1.300 1.300 weight 1.000 ! spec=HNH, no=2743, id=2559, vol=1.930000e+07
assign (resid 136 and name HN) (resid 136 and name HA2) 2.422 0.733 0.733 weight 1.000 ! spec=HNH, no=2746, id=2561, vol=1.070000e+08
assign (resid 136 and name HN) (resid 136 and name HA1) 2.597 0.843 0.843 weight 1.000 ! spec=HNH, no=2747, id=2562, vol=7.060000e+07
assign (resid 136 and name HN) (resid 137 and name HA) 3.472 1.507 1.507 weight 1.000 ! spec=HNH, no=2749, id=2564, vol=1.240000e+07
assign (resid 136 and name HN) (resid 137 and name HB2) 3.557 1.582 1.582 weight 1.000 ! spec=HNH, no=2750, id=2565, vol=1.070000e+07
assign (resid 137 and name HN) (resid 132 and name HA) 4.435 2.458 2.458 weight 1.000 ! spec=HNH, no=2752, id=2567, vol=2.850000e+06
assign (resid 137 and name HN) (resid 135 and name HN) 3.112 1.210 1.210 weight 1.000 ! spec=HNH, no=2754, id=2569, vol=2.390000e+07
assign (resid 137 and name HN) (resid 72 and name HD22) 3.955 1.955 1.955 weight 1.000 ! spec=HNH, no=2755, id=2570, vol=5.660000e+06
assign (resid 137 and name HN) (resid 136 and name HA2) 2.760 0.952 0.952 weight 1.000 ! spec=HNH, no=2757, id=2571, vol=4.900000e+07
assign (resid 137 and name HN) (resid 89 and name HD12) 3.927 1.928 1.928 weight 1.000 ! spec=HNH, no=2760, id=2574, vol=5.910000e+06
    or (resid 137 and name HN) (resid 89 and name HD11)
    or (resid 137 and name HN) (resid 89 and name HD13)
assign (resid 137 and name HN) (resid 131 and name HD12) 3.080 1.186 1.186 weight 1.000 ! spec=HNH, no=2767, id=2581, vol=2.540000e+07
    or (resid 137 and name HN) (resid 131 and name HD11)
    or (resid 137 and name HN) (resid 131 and name HD13)
assign (resid 132 and name HN) (resid 137 and name HN) 3.441 1.480 1.480 weight 1.000 ! spec=HNH, no=2770, id=2584, vol=1.300000e+07
assign (resid 136 and name HN) (resid 137 and name HN) 2.547 0.811 0.811 weight 1.000 ! spec=HNH, no=2771, id=2585, vol=7.940000e+07
assign (resid 137 and name HN) (resid 137 and name HA) 2.613 0.853 0.853 weight 1.000 ! spec=HNH, no=2773, id=2586, vol=6.810000e+07
assign (resid 137 and name HN) (resid 137 and name HB2) 2.368 0.701 0.701 weight 1.000 ! spec=HNH, no=2774, id=2587, vol=1.230000e+08
assign (resid 137 and name HN) (resid 138 and name HA) 4.157 2.160 2.160 weight 1.000 ! spec=HNH, no=2776, id=2589, vol=4.200000e+06
assign (resid 138 and name HN) (resid 138 and name HE3) 3.826 1.830 1.830 weight 1.000 ! spec=HNH, no=2777, id=2590, vol=6.910000e+06
assign (resid 138 and name HN) (resid 115 and name HB1) 3.873 1.875 1.875 weight 1.000 ! spec=HNH, no=2779, id=2592, vol=6.420000e+06
assign (resid 138 and name HN) (resid 138 and name HB2) 2.688 0.903 0.903 weight 1.000 ! spec=HNH, no=2781, id=2594, vol=5.750000e+07
assign (resid 138 and name HN) (resid 139 and name HA) 3.841 1.844 1.844 weight 1.000 ! spec=HNH, no=2787, id=2600, vol=6.740000e+06
assign (resid 138 and name HN) (resid 137 and name HN) 3.464 1.500 1.500 weight 1.000 ! spec=HNH, no=2788, id=2601, vol=1.250000e+07
assign (resid 138 and name HN) (resid 115 and name HE3) 3.703 1.714 1.714 weight 1.000 ! spec=HNH, no=2789, id=2602, vol=8.400000e+06
assign (resid 138 and name HN) (resid 114 and name HA) 3.703 1.714 1.714 weight 1.000 ! spec=HNH, no=2791, id=2604, vol=8.400000e+06
assign (resid 138 and name HN) (resid 114 and name HB2) 3.140 1.233 1.233 weight 1.000 ! spec=HNH, no=2792, id=2605, vol=2.260000e+07
assign (resid 138 and name HN) (resid 115 and name HA) 3.127 1.222 1.222 weight 1.000 ! spec=HNH, no=2794, id=2607, vol=2.320000e+07
assign (resid 138 and name HN) (resid 116 and name HB) 3.339 1.394 1.394 weight 1.000 ! spec=HNH, no=2795, id=2608, vol=1.560000e+07
assign (resid 138 and name HN) (resid 116 and name HG21) 3.203 1.282 1.282 weight 1.000 ! spec=HNH, no=2796, id=2609, vol=2.010000e+07
    or (resid 138 and name HN) (resid 116 and name HG22)
    or (resid 138 and name HN) (resid 116 and name HG23)
assign (resid 138 and name HN) (resid 131 and name HA) 3.446 1.484 1.484 weight 1.000 ! spec=HNH, no=2797, id=2610, vol=1.290000e+07
assign (resid 138 and name HN) (resid 137 and name HB1) 2.890 1.044 1.044 weight 1.000 ! spec=HNH, no=2800, id=2613, vol=3.720000e+07
assign (resid 138 and name HN) (resid 138 and name HA) 3.047 1.160 1.160 weight 1.000 ! spec=HNH, no=2802, id=2614, vol=2.710000e+07
assign (resid 138 and name HN) (resid 138 and name HE1) 3.920 1.921 1.921 weight 1.000 ! spec=HNH, no=2808, id=2620, vol=5.970000e+06
assign (resid 72 and name HD21) (resid 138 and name HE1) 3.551 1.576 1.576 weight 1.000 ! spec=HNH, no=2809, id=2621, vol=1.080000e+07
assign (resid 114 and name HN) (resid 138 and name HE1) 3.843 1.847 1.847 weight 1.000 ! spec=HNH, no=2810, id=2622, vol=6.720000e+06
assign (resid 138 and name HE1) (resid 136 and name HA2) 4.093 2.094 2.094 weight 1.000 ! spec=HNH, no=2811, id=2623, vol=4.610000e+06
assign (resid 138 and name HE1) (resid 137 and name HA) 3.913 1.914 1.914 weight 1.000 ! spec=HNH, no=2818, id=2630, vol=6.030000e+06
assign (resid 138 and name HE1) (resid 138 and name HZ3) 4.115 2.117 2.117 weight 1.000 ! spec=HNH, no=2819, id=2631, vol=4.460000e+06
assign (resid 138 and name HE1) (resid 138 and name HE3) 4.469 2.497 2.497 weight 1.000 ! spec=HNH, no=2823, id=2635, vol=2.720000e+06
assign (resid 138 and name HE1) (resid 139 and name HN) 4.465 2.492 2.492 weight 1.000 ! spec=HNH, no=2825, id=2637, vol=2.740000e+06
assign (resid 138 and name HE1) (resid 66 and name HN) 4.415 2.436 2.436 weight 1.000 ! spec=HNH, no=2827, id=2639, vol=2.930000e+06
assign (resid 138 and name HE1) (resid 66 and name HB) 3.537 1.564 1.564 weight 1.000 ! spec=HNH, no=2828, id=2640, vol=1.110000e+07
assign (resid 138 and name HE1) (resid 66 and name HG22) 3.037 1.153 1.153 weight 1.000 ! spec=HNH, no=2829, id=2641, vol=2.760000e+07
    or (resid 138 and name HE1) (resid 66 and name HG21)
    or (resid 138 and name HE1) (resid 66 and name HG23)
assign (resid 138 and name HE1) (resid 72 and name HN) 4.385 2.403 2.403 weight 1.000 ! spec=HNH, no=2830, id=2642, vol=3.050000e+06
assign (resid 138 and name HE1) (resid 72 and name HA) 3.938 1.938 1.938 weight 1.000 ! spec=HNH, no=2831, id=2643, vol=5.810000e+06
assign (resid 138 and name HE1) (resid 72 and name HB1) 4.120 2.122 2.122 weight 1.000 ! spec=HNH, no=2832, id=2644, vol=4.430000e+06
assign (resid 138 and name HE1) (resid 114 and name HB2) 3.238 1.311 1.311 weight 1.000 ! spec=HNH, no=2835, id=2647, vol=1.880000e+07
assign (resid 138 and name HE1) (resid 114 and name HB1) 3.083 1.188 1.188 weight 1.000 ! spec=HNH, no=2836, id=2648, vol=2.520000e+07
assign (resid 138 and name HE1) (resid 131 and name HA) 3.848 1.850 1.850 weight 1.000 ! spec=HNH, no=2837, id=2649, vol=6.680000e+06
assign (resid 138 and name HE1) (resid 131 and name HB2) 3.160 1.248 1.248 weight 1.000 ! spec=HNH, no=2838, id=2650, vol=2.170000e+07
assign (resid 138 and name HE1) (resid 131 and name HD22) 3.204 1.283 1.283 weight 1.000 ! spec=HNH, no=2840, id=2652, vol=2.000000e+07
    or (resid 138 and name HE1) (resid 131 and name HD21)
    or (resid 138 and name HE1) (resid 131 and name HD23)
assign (resid 138 and name HE1) (resid 132 and name HN) 4.265 2.274 2.274 weight 1.000 ! spec=HNH, no=2841, id=2653, vol=3.600000e+06
assign (resid 138 and name HE1) (resid 138 and name HA) 3.724 1.734 1.734 weight 1.000 ! spec=HNH, no=2842, id=2654, vol=8.120000e+06
assign (resid 139 and name HN) (resid 116 and name HG21) 3.177 1.262 1.262 weight 1.000 ! spec=HNH, no=2847, id=2658, vol=2.110000e+07
    or (resid 139 and name HN) (resid 116 and name HG22)
    or (resid 139 and name HN) (resid 116 and name HG23)
assign (resid 139 and name HN) (resid 139 and name HG2) 3.089 1.193 1.193 weight 1.000 ! spec=HNH, no=2852, id=2662, vol=2.490000e+07
assign (resid 139 and name HN) (resid 115 and name HE3) 4.046 2.046 2.046 weight 1.000 ! spec=HNH, no=2858, id=2668, vol=4.940000e+06
assign (resid 139 and name HN) (resid 115 and name HH2) 4.180 2.184 2.184 weight 1.000 ! spec=HNH, no=2859, id=2669, vol=4.060000e+06
assign (resid 139 and name HN) (resid 115 and name HZ3) 3.696 1.707 1.707 weight 1.000 ! spec=HNH, no=2861, id=2671, vol=8.500000e+06
assign (resid 130 and name HN) (resid 139 and name HN) 2.806 0.984 0.984 weight 1.000 ! spec=HNH, no=2862, id=2672, vol=4.440000e+07
assign (resid 139 and name HN) (resid 131 and name HA) 3.320 1.378 1.378 weight 1.000 ! spec=HNH, no=2865, id=2675, vol=1.620000e+07
assign (resid 138 and name HN) (resid 139 and name HN) 3.656 1.671 1.671 weight 1.000 ! spec=HNH, no=2868, id=2678, vol=9.060000e+06
assign (resid 139 and name HN) (resid 138 and name HA) 2.353 0.692 0.692 weight 1.000 ! spec=HNH, no=2869, id=2679, vol=1.280000e+08
assign (resid 139 and name HN) (resid 138 and name HB2) 2.928 1.072 1.072 weight 1.000 ! spec=HNH, no=2870, id=2680, vol=3.430000e+07
assign (resid 139 and name HN) (resid 138 and name HB1) 2.906 1.056 1.056 weight 1.000 ! spec=HNH, no=2871, id=2681, vol=3.600000e+07
assign (resid 139 and name HN) (resid 139 and name HA) 2.805 0.983 0.983 weight 1.000 ! spec=HNH, no=2874, id=2683, vol=4.450000e+07
assign (resid 139 and name HN) (resid 139 and name HB2) 2.901 1.052 1.052 weight 1.000 ! spec=HNH, no=2875, id=2684, vol=3.630000e+07
assign (resid 139 and name HN) (resid 139 and name HB1) 3.043 1.158 1.158 weight 1.000 ! spec=HNH, no=2876, id=2685, vol=2.730000e+07
assign (resid 139 and name HN) (resid 139 and name HG1) 3.007 1.131 1.131 weight 1.000 ! spec=HNH, no=2877, id=2686, vol=2.930000e+07
assign (resid 139 and name HN) (resid 140 and name HA) 3.504 1.535 1.535 weight 1.000 ! spec=HNH, no=2879, id=2688, vol=1.170000e+07
assign (resid 140 and name HN) (resid 139 and name HG1) 3.052 1.165 1.165 weight 1.000 ! spec=HNH, no=2886, id=2692, vol=2.680000e+07
assign (resid 140 and name HN) (resid 140 and name HG1) 2.700 0.912 0.912 weight 1.000 ! spec=HNH, no=2888, id=2694, vol=5.590000e+07
assign (resid 140 and name HN) (resid 138 and name HA) 4.205 2.211 2.211 weight 1.000 ! spec=HNH, no=2892, id=2697, vol=3.920000e+06
assign (resid 140 and name HN) (resid 140 and name HE2) 3.880 1.882 1.882 weight 1.000 ! spec=HNH, no=2893, id=2698, vol=6.350000e+06
assign (resid 140 and name HN) (resid 115 and name HZ3) 3.583 1.604 1.604 weight 1.000 ! spec=HNH, no=2898, id=2703, vol=1.020000e+07
assign (resid 140 and name HN) (resid 118 and name HG2) 3.846 1.849 1.849 weight 1.000 ! spec=HNH, no=2899, id=2704, vol=6.690000e+06
assign (resid 140 and name HN) (resid 124 and name HD22) 3.754 1.761 1.761 weight 1.000 ! spec=HNH, no=2900, id=2705, vol=7.750000e+06
    or (resid 140 and name HN) (resid 124 and name HD21)
    or (resid 140 and name HN) (resid 124 and name HD23)
assign (resid 139 and name HN) (resid 140 and name HN) 3.468 1.504 1.504 weight 1.000 ! spec=HNH, no=2901, id=2706, vol=1.240000e+07
assign (resid 140 and name HN) (resid 139 and name HA) 2.203 0.607 0.607 weight 1.000 ! spec=HNH, no=2902, id=2707, vol=1.900000e+08
assign (resid 140 and name HN) (resid 140 and name HA) 2.762 0.953 0.953 weight 1.000 ! spec=HNH, no=2905, id=2709, vol=4.880000e+07
assign (resid 140 and name HN) (resid 140 and name HB2) 2.555 0.816 0.816 weight 1.000 ! spec=HNH, no=2906, id=2710, vol=7.790000e+07
assign (resid 140 and name HN) (resid 140 and name HG2) 3.006 1.130 1.130 weight 1.000 ! spec=HNH, no=2908, id=2712, vol=2.940000e+07
assign (resid 141 and name HN) (resid 124 and name HD22) 3.450 1.488 1.488 weight 1.000 ! spec=HNH, no=2912, id=2716, vol=1.280000e+07
    or (resid 141 and name HN) (resid 124 and name HD21)
    or (resid 141 and name HN) (resid 124 and name HD23)
assign (resid 141 and name HN) (resid 115 and name HZ3) 4.060 2.061 2.061 weight 1.000 ! spec=HNH, no=2913, id=2717, vol=4.830000e+06
assign (resid 141 and name HN) (resid 127 and name HN) 4.214 2.219 2.219 weight 1.000 ! spec=HNH, no=2920, id=2724, vol=3.870000e+06
assign (resid 141 and name HN) (resid 140 and name HA) 2.192 0.601 0.601 weight 1.000 ! spec=HNH, no=2928, id=2732, vol=1.950000e+08
assign (resid 141 and name HN) (resid 140 and name HB1) 2.768 0.958 0.958 weight 1.000 ! spec=HNH, no=2930, id=2734, vol=4.820000e+07
assign (resid 141 and name HN) (resid 141 and name HA2) 2.679 0.897 0.897 weight 1.000 ! spec=HNH, no=2932, id=2735, vol=5.860000e+07
assign (resid 141 and name HN) (resid 141 and name HA1) 2.706 0.916 0.916 weight 1.000 ! spec=HNH, no=2933, id=2736, vol=5.510000e+07
assign (resid 141 and name HN) (resid 142 and name HA) 3.519 1.548 1.548 weight 1.000 ! spec=HNH, no=2935, id=2738, vol=1.140000e+07
assign (resid 142 and name HN) (resid 141 and name HA2) 2.390 0.714 0.714 weight 1.000 ! spec=HNH, no=2938, id=2741, vol=1.160000e+08
assign (resid 142 and name HN) (resid 141 and name HA1) 2.365 0.699 0.699 weight 1.000 ! spec=HNH, no=2940, id=2743, vol=1.240000e+08
assign (resid 142 and name HN) (resid 144 and name HN) 3.666 1.680 1.680 weight 1.000 ! spec=HNH, no=2943, id=2746, vol=8.930000e+06
assign (resid 142 and name HN) (resid 124 and name HD22) 3.132 1.226 1.226 weight 1.000 ! spec=HNH, no=2944, id=2747, vol=2.290000e+07
    or (resid 142 and name HN) (resid 124 and name HD21)
    or (resid 142 and name HN) (resid 124 and name HD23)
assign (resid 142 and name HN) (resid 127 and name HG21) 3.511 1.541 1.541 weight 1.000 ! spec=HNH, no=2946, id=2749, vol=1.160000e+07
    or (resid 142 and name HN) (resid 127 and name HG22)
    or (resid 142 and name HN) (resid 127 and name HG23)
assign (resid 141 and name HN) (resid 142 and name HN) 3.287 1.351 1.351 weight 1.000 ! spec=HNH, no=2948, id=2751, vol=1.720000e+07
assign (resid 142 and name HN) (resid 142 and name HA) 2.648 0.877 0.877 weight 1.000 ! spec=HNH, no=2950, id=2752, vol=6.280000e+07
assign (resid 142 and name HN) (resid 142 and name HD21) 3.375 1.424 1.424 weight 1.000 ! spec=HNH, no=2951, id=2753, vol=1.470000e+07
assign (resid 142 and name HN) (resid 143 and name HN) 3.167 1.253 1.253 weight 1.000 ! spec=HNH, no=2953, id=2755, vol=2.150000e+07
assign (resid 142 and name HD21) (resid 144 and name HG2) 3.487 1.520 1.520 weight 1.000 ! spec=HNH, no=2955, id=2757, vol=1.210000e+07
    or (resid 142 and name HD21) (resid 144 and name HG1)
assign (resid 142 and name HD21) (resid 141 and name HA2) 3.950 1.950 1.950 weight 1.000 ! spec=HNH, no=2956, id=2758, vol=5.710000e+06
assign (resid 142 and name HD21) (resid 127 and name HG21) 3.818 1.822 1.822 weight 1.000 ! spec=HNH, no=2962, id=2764, vol=6.990000e+06
    or (resid 142 and name HD21) (resid 127 and name HG22)
    or (resid 142 and name HD21) (resid 127 and name HG23)
assign (resid 142 and name HD21) (resid 124 and name HD22) 3.560 1.584 1.584 weight 1.000 ! spec=HNH, no=2965, id=2767, vol=1.060000e+07
    or (resid 142 and name HD21) (resid 124 and name HD21)
    or (resid 142 and name HD21) (resid 124 and name HD23)
assign (resid 142 and name HD22) (resid 144 and name HB1) 3.681 1.693 1.693 weight 1.000 ! spec=HNH, no=2966, id=2768, vol=8.710000e+06
assign (resid 142 and name HD22) (resid 143 and name HN) 3.959 1.959 1.959 weight 1.000 ! spec=HNH, no=2967, id=2769, vol=5.630000e+06
assign (resid 142 and name HD22) (resid 124 and name HD22) 3.615 1.634 1.634 weight 1.000 ! spec=HNH, no=2968, id=2770, vol=9.710000e+06
    or (resid 142 and name HD22) (resid 124 and name HD21)
    or (resid 142 and name HD22) (resid 124 and name HD23)
assign (resid 142 and name HD22) (resid 144 and name HB2) 3.493 1.525 1.525 weight 1.000 ! spec=HNH, no=2969, id=2771, vol=1.190000e+07
assign (resid 142 and name HD22) (resid 141 and name HA2) 4.167 2.171 2.171 weight 1.000 ! spec=HNH, no=2974, id=2776, vol=4.140000e+06
assign (resid 142 and name HD22) (resid 144 and name HG2) 3.654 1.669 1.669 weight 1.000 ! spec=HNH, no=2975, id=2777, vol=9.100000e+06
    or (resid 142 and name HD22) (resid 144 and name HG1)
assign (resid 142 and name HD22) (resid 142 and name HN) 3.752 1.759 1.759 weight 1.000 ! spec=HNH, no=2979, id=2781, vol=7.770000e+06
assign (resid 142 and name HD21) (resid 142 and name HA) 3.244 1.315 1.315 weight 1.000 ! spec=HNH, no=2980, id=2782, vol=1.860000e+07
assign (resid 142 and name HD22) (resid 142 and name HA) 3.498 1.530 1.530 weight 1.000 ! spec=HNH, no=2981, id=2783, vol=1.180000e+07
assign (resid 142 and name HD22) (resid 142 and name HD21) 1.672 0.349 0.349 weight 1.000 ! spec=HNH, no=2984, id=2785, vol=9.920000e+08
assign (resid 142 and name HD21) (resid 142 and name HB2) 2.418 0.731 0.731 weight 1.000 ! spec=HNH, no=2986, id=2786, vol=1.080000e+08
assign (resid 142 and name HD21) (resid 143 and name HN) 3.600 1.620 1.620 weight 1.000 ! spec=HNH, no=2988, id=2788, vol=9.950000e+06
assign (resid 143 and name HN) (resid 49 and name HB) 3.727 1.736 1.736 weight 1.000 ! spec=HNH, no=2989, id=2789, vol=8.090000e+06
assign (resid 143 and name HN) (resid 144 and name HB2) 3.907 1.908 1.908 weight 1.000 ! spec=HNH, no=2992, id=2792, vol=6.090000e+06
assign (resid 143 and name HN) (resid 128 and name HB2) 3.118 1.215 1.215 weight 1.000 ! spec=HNH, no=2996, id=2796, vol=2.360000e+07
assign (resid 143 and name HN) (resid 142 and name HA) 2.156 0.581 0.581 weight 1.000 ! spec=HNH, no=2997, id=2797, vol=2.160000e+08
assign (resid 143 and name HN) (resid 142 and name HB2) 2.448 0.749 0.749 weight 1.000 ! spec=HNH, no=3000, id=2800, vol=1.010000e+08
assign (resid 143 and name HN) (resid 143 and name HB2) 2.469 0.762 0.762 weight 1.000 ! spec=HNH, no=3003, id=2802, vol=9.560000e+07
assign (resid 143 and name HN) (resid 143 and name HB1) 2.659 0.884 0.884 weight 1.000 ! spec=HNH, no=3004, id=2803, vol=6.130000e+07
assign (resid 143 and name HN) (resid 144 and name HG2) 3.589 1.610 1.610 weight 1.000 ! spec=HNH, no=3005, id=2804, vol=1.010000e+07
assign (resid 143 and name HN) (resid 145 and name HN) 3.906 1.907 1.907 weight 1.000 ! spec=HNH, no=3006, id=2805, vol=6.100000e+06
assign (resid 144 and name HN) (resid 142 and name HD22) 3.089 1.193 1.193 weight 1.000 ! spec=HNH, no=3014, id=2813, vol=2.490000e+07
assign (resid 143 and name HN) (resid 144 and name HN) 2.619 0.857 0.857 weight 1.000 ! spec=HNH, no=3015, id=2814, vol=6.720000e+07
assign (resid 144 and name HN) (resid 143 and name HA) 2.519 0.793 0.793 weight 1.000 ! spec=HNH, no=3016, id=2815, vol=8.470000e+07
assign (resid 144 and name HN) (resid 144 and name HA) 2.357 0.694 0.694 weight 1.000 ! spec=HNH, no=3019, id=2817, vol=1.260000e+08
assign (resid 144 and name HN) (resid 144 and name HB2) 2.287 0.654 0.654 weight 1.000 ! spec=HNH, no=3020, id=2818, vol=1.510000e+08
assign (resid 144 and name HN) (resid 144 and name HG2) 2.495 0.778 0.778 weight 1.000 ! spec=HNH, no=3021, id=2819, vol=8.990000e+07
assign (resid 145 and name HN) (resid 49 and name HA) 3.566 1.590 1.590 weight 1.000 ! spec=HNH, no=3027, id=2825, vol=1.050000e+07
assign (resid 145 and name HN) (resid 143 and name HB1) 3.922 1.922 1.922 weight 1.000 ! spec=HNH, no=3028, id=2826, vol=5.960000e+06
assign (resid 145 and name HN) (resid 143 and name HB2) 3.811 1.816 1.816 weight 1.000 ! spec=HNH, no=3029, id=2827, vol=7.070000e+06
assign (resid 145 and name HN) (resid 144 and name HB2) 3.226 1.301 1.301 weight 1.000 ! spec=HNH, no=3031, id=2829, vol=1.920000e+07
assign (resid 145 and name HN) (resid 145 and name HA) 2.533 0.802 0.802 weight 1.000 ! spec=HNH, no=3034, id=2831, vol=8.190000e+07
assign (resid 146 and name HN) (resid 147 and name HN) 2.682 0.899 0.899 weight 1.000 ! spec=HNH, no=3039, id=2836, vol=5.820000e+07
assign (resid 146 and name HN) (resid 46 and name HB) 3.564 1.588 1.588 weight 1.000 ! spec=HNH, no=3044, id=2840, vol=1.060000e+07
assign (resid 146 and name HN) (resid 145 and name HA) 2.405 0.723 0.723 weight 1.000 ! spec=HNH, no=3047, id=2843, vol=1.120000e+08
assign (resid 146 and name HN) (resid 145 and name HG12) 2.746 0.943 0.943 weight 1.000 ! spec=HNH, no=3048, id=2844, vol=5.050000e+07
    or (resid 146 and name HN) (resid 145 and name HG11)
    or (resid 146 and name HN) (resid 145 and name HG13)
assign (resid 146 and name HN) (resid 145 and name HG22) 3.025 1.144 1.144 weight 1.000 ! spec=HNH, no=3049, id=2845, vol=2.830000e+07
    or (resid 146 and name HN) (resid 145 and name HG21)
    or (resid 146 and name HN) (resid 145 and name HG23)
assign (resid 146 and name HN) (resid 146 and name HA) 2.485 0.772 0.772 weight 1.000 ! spec=HNH, no=3051, id=2846, vol=9.200000e+07
assign (resid 146 and name HN) (resid 146 and name HB2) 2.616 0.855 0.855 weight 1.000 ! spec=HNH, no=3052, id=2847, vol=6.770000e+07
assign (resid 146 and name HN) (resid 146 and name HB1) 2.713 0.920 0.920 weight 1.000 ! spec=HNH, no=3053, id=2848, vol=5.430000e+07
assign (resid 146 and name HN) (resid 147 and name HA) 3.605 1.624 1.624 weight 1.000 ! spec=HNH, no=3054, id=2849, vol=9.880000e+06
assign (resid 148 and name HN) (resid 148 and name HB) 2.486 0.772 0.772 weight 1.000 ! spec=HNH, no=3072, id=2864, vol=9.190000e+07
assign (resid 148 and name HN) (resid 149 and name HN) 3.184 1.267 1.267 weight 1.000 ! spec=HNH, no=3074, id=2866, vol=2.080000e+07
assign (resid 149 and name HN) (resid 43 and name HB2) 3.829 1.833 1.833 weight 1.000 ! spec=HNH, no=3075, id=2867, vol=6.870000e+06
    or (resid 149 and name HN) (resid 43 and name HB1)
    or (resid 149 and name HN) (resid 43 and name HB3)
assign (resid 149 and name HN) (resid 148 and name HA) 2.148 0.577 0.577 weight 1.000 ! spec=HNH, no=3078, id=2870, vol=2.210000e+08
assign (resid 149 and name HN) (resid 43 and name HA) 3.778 1.785 1.785 weight 1.000 ! spec=HNH, no=3082, id=2874, vol=7.440000e+06
assign (resid 149 and name HN) (resid 149 and name HG1) 2.478 0.767 0.767 weight 1.000 ! spec=HNH, no=3084, id=2876, vol=9.360000e+07
assign (resid 149 and name HN) (resid 46 and name HG22) 3.795 1.800 1.800 weight 1.000 ! spec=HNH, no=3085, id=2877, vol=7.260000e+06
    or (resid 149 and name HN) (resid 46 and name HG21)
    or (resid 149 and name HN) (resid 46 and name HG23)
assign (resid 149 and name HN) (resid 149 and name HB2) 2.615 0.855 0.855 weight 1.000 ! spec=HNH, no=3088, id=2879, vol=6.770000e+07
assign (resid 149 and name HN) (resid 150 and name HA1) 3.507 1.538 1.538 weight 1.000 ! spec=HNH, no=3091, id=2882, vol=1.160000e+07
assign (resid 150 and name HN) (resid 151 and name HB) 3.667 1.681 1.681 weight 1.000 ! spec=HNH, no=3099, id=2890, vol=8.910000e+06
assign (resid 149 and name HN) (resid 150 and name HN) 2.421 0.733 0.733 weight 1.000 ! spec=HNH, no=3110, id=2901, vol=1.080000e+08
assign (resid 150 and name HN) (resid 149 and name HA) 2.382 0.709 0.709 weight 1.000 ! spec=HNH, no=3111, id=2902, vol=1.180000e+08
assign (resid 150 and name HN) (resid 150 and name HA2) 2.407 0.724 0.724 weight 1.000 ! spec=HNH, no=3113, id=2903, vol=1.110000e+08
assign (resid 150 and name HN) (resid 150 and name HA1) 2.425 0.735 0.735 weight 1.000 ! spec=HNH, no=3114, id=2904, vol=1.060000e+08
assign (resid 150 and name HN) (resid 151 and name HN) 3.008 1.131 1.131 weight 1.000 ! spec=HNH, no=3115, id=2905, vol=2.930000e+07
assign (resid 151 and name HN) (resid 151 and name HA) 2.960 1.095 1.095 weight 1.000 ! spec=HNH, no=3118, id=2908, vol=3.220000e+07
assign (resid 151 and name HN) (resid 39 and name HZ) 3.358 1.409 1.409 weight 1.000 ! spec=HNH, no=3121, id=2911, vol=1.510000e+07
assign (resid 42 and name HN) (resid 151 and name HN) 3.143 1.235 1.235 weight 1.000 ! spec=HNH, no=3122, id=2912, vol=2.250000e+07
assign (resid 151 and name HN) (resid 39 and name HD1) 3.731 1.740 1.740 weight 1.000 ! spec=HNH, no=3123, id=2913, vol=8.030000e+06
assign (resid 40 and name HN) (resid 151 and name HN) 2.830 1.001 1.001 weight 1.000 ! spec=HNH, no=3124, id=2914, vol=4.220000e+07
assign (resid 151 and name HN) (resid 40 and name HD22) 3.619 1.637 1.637 weight 1.000 ! spec=HNH, no=3126, id=2916, vol=9.640000e+06
    or (resid 151 and name HN) (resid 40 and name HD21)
    or (resid 151 and name HN) (resid 40 and name HD23)
assign (resid 151 and name HN) (resid 150 and name HA2) 2.421 0.733 0.733 weight 1.000 ! spec=HNH, no=3128, id=2918, vol=1.080000e+08
assign (resid 151 and name HN) (resid 150 and name HA1) 2.430 0.738 0.738 weight 1.000 ! spec=HNH, no=3129, id=2919, vol=1.050000e+08
assign (resid 151 and name HN) (resid 151 and name HB) 2.764 0.955 0.955 weight 1.000 ! spec=HNH, no=3131, id=2920, vol=4.860000e+07
assign (resid 151 and name HN) (resid 152 and name HA) 4.007 2.007 2.007 weight 1.000 ! spec=HNH, no=3132, id=2921, vol=5.230000e+06
assign (resid 152 and name HN) (resid 39 and name HZ) 3.988 1.988 1.988 weight 1.000 ! spec=HNH, no=3137, id=2925, vol=5.380000e+06
assign (resid 152 and name HN) (resid 39 and name HA) 4.427 2.450 2.450 weight 1.000 ! spec=HNH, no=3145, id=2933, vol=2.880000e+06
assign (resid 152 and name HN) (resid 39 and name HD1) 3.557 1.582 1.582 weight 1.000 ! spec=HNH, no=3146, id=2934, vol=1.070000e+07
assign (resid 152 and name HN) (resid 63 and name HB1) 4.116 2.117 2.117 weight 1.000 ! spec=HNH, no=3148, id=2936, vol=4.460000e+06
assign (resid 152 and name HN) (resid 63 and name HE2) 3.711 1.721 1.721 weight 1.000 ! spec=HNH, no=3149, id=2937, vol=8.300000e+06
    or (resid 152 and name HN) (resid 63 and name HE1)
    or (resid 152 and name HN) (resid 63 and name HE3)
assign (resid 152 and name HN) (resid 152 and name HA) 2.909 1.058 1.058 weight 1.000 ! spec=HNH, no=3153, id=2940, vol=3.580000e+07
assign (resid 152 and name HN) (resid 152 and name HB2) 2.711 0.918 0.918 weight 1.000 ! spec=HNH, no=3154, id=2941, vol=5.460000e+07
assign (resid 152 and name HN) (resid 152 and name HB1) 2.769 0.958 0.958 weight 1.000 ! spec=HNH, no=3155, id=2942, vol=4.810000e+07
assign (resid 153 and name HN) (resid 75 and name HG22) 4.050 2.050 2.050 weight 1.000 ! spec=HNH, no=3159, id=2945, vol=4.910000e+06
    or (resid 153 and name HN) (resid 75 and name HG21)
    or (resid 153 and name HN) (resid 75 and name HG23)
assign (resid 153 and name HN) (resid 151 and name HG21) 3.383 1.431 1.431 weight 1.000 ! spec=HNH, no=3162, id=2948, vol=1.440000e+07
    or (resid 153 and name HN) (resid 151 and name HG22)
    or (resid 153 and name HN) (resid 151 and name HG23)
assign (resid 153 and name HN) (resid 29 and name HZ3) 4.257 2.265 2.265 weight 1.000 ! spec=HNH, no=3164, id=2950, vol=3.640000e+06
assign (resid 153 and name HN) (resid 38 and name HA) 4.087 2.088 2.088 weight 1.000 ! spec=HNH, no=3168, id=2954, vol=4.650000e+06
assign (resid 153 and name HN) (resid 38 and name HB) 4.228 2.235 2.235 weight 1.000 ! spec=HNH, no=3169, id=2955, vol=3.790000e+06
assign (resid 153 and name HN) (resid 38 and name HD12) 4.126 2.127 2.127 weight 1.000 ! spec=HNH, no=3170, id=2956, vol=4.390000e+06
    or (resid 153 and name HN) (resid 38 and name HD11)
    or (resid 153 and name HN) (resid 38 and name HD13)
assign (resid 153 and name HN) (resid 38 and name HG22) 3.037 1.153 1.153 weight 1.000 ! spec=HNH, no=3171, id=2957, vol=2.760000e+07
    or (resid 153 and name HN) (resid 38 and name HG21)
    or (resid 153 and name HN) (resid 38 and name HG23)
assign (resid 153 and name HN) (resid 39 and name HD1) 3.805 1.809 1.809 weight 1.000 ! spec=HNH, no=3172, id=2958, vol=7.140000e+06
assign (resid 153 and name HN) (resid 40 and name HD22) 3.989 1.989 1.989 weight 1.000 ! spec=HNH, no=3173, id=2959, vol=5.370000e+06
    or (resid 153 and name HN) (resid 40 and name HD21)
    or (resid 153 and name HN) (resid 40 and name HD23)
assign (resid 153 and name HN) (resid 152 and name HB2) 3.236 1.309 1.309 weight 1.000 ! spec=HNH, no=3175, id=2961, vol=1.890000e+07
assign (resid 153 and name HN) (resid 152 and name HB1) 3.333 1.388 1.388 weight 1.000 ! spec=HNH, no=3176, id=2962, vol=1.580000e+07
assign (resid 153 and name HN) (resid 153 and name HA) 3.164 1.252 1.252 weight 1.000 ! spec=HNH, no=3180, id=2965, vol=2.160000e+07
assign (resid 153 and name HN) (resid 153 and name HB2) 3.012 1.134 1.134 weight 1.000 ! spec=HNH, no=3181, id=2966, vol=2.900000e+07
assign (resid 153 and name HN) (resid 153 and name HB1) 3.305 1.365 1.365 weight 1.000 ! spec=HNH, no=3182, id=2967, vol=1.660000e+07
assign (resid 154 and name HN) (resid 64 and name HA) 3.406 1.450 1.450 weight 1.000 ! spec=HNH, no=3189, id=2974, vol=1.390000e+07
assign (resid 154 and name HN) (resid 56 and name HB2) 3.334 1.389 1.389 weight 1.000 ! spec=HNH, no=3190, id=2975, vol=1.580000e+07
assign (resid 154 and name HN) (resid 37 and name HA) 3.757 1.765 1.765 weight 1.000 ! spec=HNH, no=3192, id=2977, vol=7.700000e+06
assign (resid 154 and name HN) (resid 38 and name HG22) 3.686 1.698 1.698 weight 1.000 ! spec=HNH, no=3194, id=2979, vol=8.640000e+06
    or (resid 154 and name HN) (resid 38 and name HG21)
    or (resid 154 and name HN) (resid 38 and name HG23)
assign (resid 154 and name HN) (resid 61 and name HB2) 2.619 0.857 0.857 weight 1.000 ! spec=HNH, no=3195, id=2980, vol=6.720000e+07
    or (resid 154 and name HN) (resid 61 and name HB1)
    or (resid 154 and name HN) (resid 61 and name HB3)
assign (resid 62 and name HN) (resid 154 and name HN) 2.773 0.961 0.961 weight 1.000 ! spec=HNH, no=3196, id=2981, vol=4.760000e+07
assign (resid 154 and name HN) (resid 63 and name HN) 4.125 2.127 2.127 weight 1.000 ! spec=HNH, no=3197, id=2982, vol=4.400000e+06
assign (resid 64 and name HN) (resid 154 and name HN) 3.491 1.524 1.524 weight 1.000 ! spec=HNH, no=3198, id=2983, vol=1.200000e+07
assign (resid 65 and name HN) (resid 154 and name HN) 4.202 2.207 2.207 weight 1.000 ! spec=HNH, no=3199, id=2984, vol=3.930000e+06
assign (resid 153 and name HN) (resid 154 and name HN) 3.590 1.611 1.611 weight 1.000 ! spec=HNH, no=3200, id=2985, vol=1.010000e+07
assign (resid 154 and name HN) (resid 153 and name HA) 2.419 0.732 0.732 weight 1.000 ! spec=HNH, no=3201, id=2986, vol=1.080000e+08
assign (resid 154 and name HN) (resid 153 and name HB2) 2.769 0.958 0.958 weight 1.000 ! spec=HNH, no=3202, id=2987, vol=4.810000e+07
assign (resid 154 and name HN) (resid 153 and name HB1) 2.571 0.826 0.826 weight 1.000 ! spec=HNH, no=3203, id=2988, vol=7.510000e+07
assign (resid 154 and name HN) (resid 154 and name HA) 3.069 1.178 1.178 weight 1.000 ! spec=HNH, no=3204, id=2989, vol=2.590000e+07
assign (resid 154 and name HN) (resid 154 and name HB1) 2.745 0.942 0.942 weight 1.000 ! spec=HNH, no=3205, id=2990, vol=5.060000e+07
assign (resid 154 and name HN) (resid 154 and name HG2) 3.195 1.276 1.276 weight 1.000 ! spec=HNH, no=3206, id=2991, vol=2.040000e+07
assign (resid 154 and name HN) (resid 155 and name HA) 3.335 1.390 1.390 weight 1.000 ! spec=HNH, no=3207, id=2992, vol=1.570000e+07
assign (resid 155 and name HN) (resid 29 and name HZ3) 4.257 2.265 2.265 weight 1.000 ! spec=HNH, no=3222, id=3001, vol=3.640000e+06
assign (resid 155 and name HN) (resid 35 and name HA) 3.692 1.704 1.704 weight 1.000 ! spec=HNH, no=3223, id=3002, vol=8.560000e+06
assign (resid 155 and name HN) (resid 35 and name HB2) 3.546 1.572 1.572 weight 1.000 ! spec=HNH, no=3224, id=3003, vol=1.090000e+07
assign (resid 155 and name HN) (resid 35 and name HB1) 3.885 1.887 1.887 weight 1.000 ! spec=HNH, no=3225, id=3004, vol=6.300000e+06
assign (resid 36 and name HN) (resid 155 and name HN) 2.958 1.094 1.094 weight 1.000 ! spec=HNH, no=3226, id=3005, vol=3.230000e+07
assign (resid 155 and name HN) (resid 36 and name HB2) 3.417 1.459 1.459 weight 1.000 ! spec=HNH, no=3227, id=3006, vol=1.360000e+07
assign (resid 155 and name HN) (resid 36 and name HB1) 3.455 1.492 1.492 weight 1.000 ! spec=HNH, no=3228, id=3007, vol=1.270000e+07
assign (resid 155 and name HN) (resid 37 and name HN) 4.226 2.233 2.233 weight 1.000 ! spec=HNH, no=3229, id=3008, vol=3.800000e+06
assign (resid 155 and name HN) (resid 37 and name HA) 3.063 1.172 1.172 weight 1.000 ! spec=HNH, no=3230, id=3009, vol=2.630000e+07
assign (resid 155 and name HN) (resid 37 and name HB1) 4.121 2.122 2.122 weight 1.000 ! spec=HNH, no=3231, id=3010, vol=4.420000e+06
assign (resid 155 and name HN) (resid 37 and name HD1) 3.965 1.966 1.966 weight 1.000 ! spec=HNH, no=3232, id=3011, vol=5.570000e+06
assign (resid 155 and name HN) (resid 61 and name HA) 4.036 2.036 2.036 weight 1.000 ! spec=HNH, no=3233, id=3012, vol=5.010000e+06
assign (resid 155 and name HN) (resid 61 and name HB2) 3.128 1.223 1.223 weight 1.000 ! spec=HNH, no=3234, id=3013, vol=2.310000e+07
    or (resid 155 and name HN) (resid 61 and name HB1)
    or (resid 155 and name HN) (resid 61 and name HB3)
assign (resid 155 and name HN) (resid 154 and name HN) 3.180 1.264 1.264 weight 1.000 ! spec=HNH, no=3235, id=3014, vol=2.100000e+07
assign (resid 155 and name HN) (resid 154 and name HA) 2.419 0.731 0.731 weight 1.000 ! spec=HNH, no=3236, id=3015, vol=1.080000e+08
assign (resid 155 and name HN) (resid 154 and name HB2) 3.123 1.219 1.219 weight 1.000 ! spec=HNH, no=3237, id=3016, vol=2.340000e+07
assign (resid 155 and name HN) (resid 154 and name HB1) 3.267 1.334 1.334 weight 1.000 ! spec=HNH, no=3238, id=3017, vol=1.780000e+07
assign (resid 155 and name HN) (resid 154 and name HG2) 2.493 0.777 0.777 weight 1.000 ! spec=HNH, no=3239, id=3018, vol=9.030000e+07
assign (resid 155 and name HN) (resid 154 and name HG1) 2.941 1.081 1.081 weight 1.000 ! spec=HNH, no=3240, id=3019, vol=3.340000e+07
assign (resid 155 and name HN) (resid 155 and name HA) 3.032 1.149 1.149 weight 1.000 ! spec=HNH, no=3242, id=3020, vol=2.790000e+07
assign (resid 156 and name HN) (resid 154 and name HG1) 3.799 1.804 1.804 weight 1.000 ! spec=HNH, no=3248, id=3026, vol=7.200000e+06
assign (resid 156 and name HN) (resid 156 and name HB2) 2.188 0.598 0.598 weight 1.000 ! spec=HNH, no=3249, id=3027, vol=1.970000e+08
    or (resid 156 and name HN) (resid 156 and name HB1)
    or (resid 156 and name HN) (resid 156 and name HB3)
assign (resid 156 and name HN) (resid 154 and name HE2) 4.088 2.089 2.089 weight 1.000 ! spec=HNH, no=3253, id=3031, vol=4.640000e+06
    or (resid 156 and name HN) (resid 154 and name HE1)
assign (resid 156 and name HN) (resid 35 and name HA) 3.769 1.776 1.776 weight 1.000 ! spec=HNH, no=3260, id=3038, vol=7.560000e+06
assign (resid 156 and name HN) (resid 35 and name HB2) 4.439 2.463 2.463 weight 1.000 ! spec=HNH, no=3261, id=3039, vol=2.830000e+06
assign (resid 156 and name HN) (resid 35 and name HB1) 4.262 2.270 2.270 weight 1.000 ! spec=HNH, no=3262, id=3040, vol=3.620000e+06
assign (resid 156 and name HN) (resid 154 and name HA) 4.211 2.217 2.217 weight 1.000 ! spec=HNH, no=3266, id=3044, vol=3.880000e+06
assign (resid 155 and name HN) (resid 156 and name HN) 3.595 1.615 1.615 weight 1.000 ! spec=HNH, no=3267, id=3045, vol=1.000000e+07
assign (resid 156 and name HN) (resid 155 and name HA) 2.259 0.638 0.638 weight 1.000 ! spec=HNH, no=3268, id=3046, vol=1.630000e+08
assign (resid 156 and name HN) (resid 155 and name HG21) 2.934 1.076 1.076 weight 1.000 ! spec=HNH, no=3270, id=3048, vol=3.400000e+07
    or (resid 156 and name HN) (resid 155 and name HG22)
    or (resid 156 and name HN) (resid 155 and name HG23)
assign (resid 156 and name HN) (resid 156 and name HA) 2.300 0.661 0.661 weight 1.000 ! spec=HNH, no=3272, id=3049, vol=1.460000e+08
assign (resid 36 and name HN) (resid 157 and name HN) 3.656 1.670 1.670 weight 1.000 ! spec=HNH, no=3273, id=3050, vol=9.080000e+06
assign (resid 157 and name HN) (resid 34 and name HB2) 3.542 1.568 1.568 weight 1.000 ! spec=HNH, no=3283, id=3060, vol=1.100000e+07
assign (resid 157 and name HN) (resid 35 and name HA) 2.829 1.000 1.000 weight 1.000 ! spec=HNH, no=3284, id=3061, vol=4.220000e+07
assign (resid 157 and name HN) (resid 35 and name HB2) 3.887 1.889 1.889 weight 1.000 ! spec=HNH, no=3285, id=3062, vol=6.280000e+06
assign (resid 157 and name HN) (resid 35 and name HB1) 3.412 1.455 1.455 weight 1.000 ! spec=HNH, no=3286, id=3063, vol=1.370000e+07
assign (resid 157 and name HN) (resid 156 and name HA) 2.307 0.665 0.665 weight 1.000 ! spec=HNH, no=3287, id=3064, vol=1.440000e+08
assign (resid 157 and name HN) (resid 156 and name HB2) 2.341 0.685 0.685 weight 1.000 ! spec=HNH, no=3288, id=3065, vol=1.320000e+08
    or (resid 157 and name HN) (resid 156 and name HB1)
    or (resid 157 and name HN) (resid 156 and name HB3)
assign (resid 157 and name HN) (resid 157 and name HA) 2.821 0.995 0.995 weight 1.000 ! spec=HNH, no=3290, id=3066, vol=4.300000e+07
assign (resid 157 and name HN) (resid 157 and name HG12) 2.864 1.025 1.025 weight 1.000 ! spec=HNH, no=3292, id=3068, vol=3.920000e+07
assign (resid 157 and name HN) (resid 157 and name HD12) 2.618 0.856 0.856 weight 1.000 ! spec=HNH, no=3293, id=3069, vol=6.730000e+07
    or (resid 157 and name HN) (resid 157 and name HD11)
    or (resid 157 and name HN) (resid 157 and name HD13)
assign (resid 157 and name HN) (resid 158 and name HD2) 3.651 1.666 1.666 weight 1.000 ! spec=HNH, no=3294, id=3070, vol=9.140000e+06
assign (resid 159 and name HN) (resid 159 and name HE1) 4.033 2.033 2.033 weight 1.000 ! spec=HNH, no=3297, id=3073, vol=5.040000e+06
    or (resid 159 and name HN) (resid 159 and name HE2)
assign (resid 159 and name HN) (resid 157 and name HA) 2.924 1.069 1.069 weight 1.000 ! spec=HNH, no=3300, id=3076, vol=3.470000e+07
assign (resid 159 and name HN) (resid 157 and name HG22) 2.946 1.085 1.085 weight 1.000 ! spec=HNH, no=3301, id=3077, vol=3.310000e+07
    or (resid 159 and name HN) (resid 157 and name HG21)
    or (resid 159 and name HN) (resid 157 and name HG23)
assign (resid 159 and name HN) (resid 158 and name HB1) 3.058 1.169 1.169 weight 1.000 ! spec=HNH, no=3304, id=3080, vol=2.650000e+07
assign (resid 159 and name HN) (resid 158 and name HD2) 3.634 1.651 1.651 weight 1.000 ! spec=HNH, no=3305, id=3081, vol=9.400000e+06
assign (resid 159 and name HN) (resid 158 and name HD1) 3.591 1.612 1.612 weight 1.000 ! spec=HNH, no=3306, id=3082, vol=1.010000e+07
assign (resid 159 and name HN) (resid 159 and name HA) 2.547 0.811 0.811 weight 1.000 ! spec=HNH, no=3308, id=3083, vol=7.940000e+07
assign (resid 159 and name HN) (resid 159 and name HB2) 2.341 0.685 0.685 weight 1.000 ! spec=HNH, no=3309, id=3084, vol=1.320000e+08
assign (resid 159 and name HN) (resid 160 and name HB2) 3.310 1.370 1.370 weight 1.000 ! spec=HNH, no=3311, id=3086, vol=1.650000e+07
assign (resid 160 and name HN) (resid 161 and name HN) 2.666 0.889 0.889 weight 1.000 ! spec=HNH, no=3314, id=3089, vol=6.030000e+07
assign (resid 160 and name HN) (resid 159 and name HB2) 2.882 1.038 1.038 weight 1.000 ! spec=HNH, no=3317, id=3092, vol=3.780000e+07
assign (resid 160 and name HN) (resid 160 and name HA) 2.864 1.026 1.026 weight 1.000 ! spec=HNH, no=3320, id=3094, vol=3.920000e+07
assign (resid 160 and name HN) (resid 160 and name HB2) 2.782 0.967 0.967 weight 1.000 ! spec=HNH, no=3321, id=3095, vol=4.680000e+07
assign (resid 160 and name HN) (resid 160 and name HB1) 3.046 1.160 1.160 weight 1.000 ! spec=HNH, no=3322, id=3096, vol=2.710000e+07
assign (resid 160 and name HN) (resid 160 and name HG2) 3.302 1.363 1.363 weight 1.000 ! spec=HNH, no=3324, id=3098, vol=1.670000e+07
assign (resid 161 and name HN) (resid 159 and name HB2) 4.172 2.176 2.176 weight 1.000 ! spec=HNH, no=3326, id=3100, vol=4.110000e+06
    or (resid 161 and name HN) (resid 159 and name HB1)
assign (resid 161 and name HN) (resid 160 and name HA) 2.383 0.710 0.710 weight 1.000 ! spec=HNH, no=3328, id=3102, vol=1.180000e+08
assign (resid 161 and name HN) (resid 160 and name HG2) 3.728 1.737 1.737 weight 1.000 ! spec=HNH, no=3329, id=3103, vol=8.070000e+06
assign (resid 161 and name HN) (resid 161 and name HB2) 2.977 1.108 1.108 weight 1.000 ! spec=HNH, no=3332, id=3105, vol=3.110000e+07
assign (resid 161 and name HN) (resid 161 and name HG2) 3.334 1.389 1.389 weight 1.000 ! spec=HNH, no=3334, id=3107, vol=1.580000e+07

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET  22           HT1      MET  22  -0.466 -23.238   4.651
    2    H2   MET  22           HT2      MET  22  -2.001 -23.037   5.369
    3    H3   MET  22           HT3      MET  22  -0.628 -22.590   6.208
    4    HA   MET  22           HA       MET  22  -0.149 -20.859   4.722
    5    HB2  MET  22           HB2      MET  22  -1.775 -20.226   2.938
    6    HB3  MET  22           HB1      MET  22  -0.980 -21.749   2.614
    7    HG2  MET  22           HG2      MET  22  -3.770 -21.457   3.718
    8    HG3  MET  22           HG1      MET  22  -3.395 -21.702   2.020
    9    HE1  MET  22           HE1      MET  22  -4.951 -25.142   3.047
   10    HE2  MET  22           HE2      MET  22  -5.025 -23.786   1.922
   11    HE3  MET  22           HE3      MET  22  -5.438 -23.547   3.619
   12    H    ASP  23           HN       ASP  23  -0.422 -19.278   6.099
   13    HA   ASP  23           HA       ASP  23  -2.847 -19.032   7.657
   14    HB2  ASP  23           HB2      ASP  23  -0.408 -17.250   7.484
   15    HB3  ASP  23           HB1      ASP  23  -1.756 -16.992   8.580
   16    H    CYS  24           HN       CYS  24  -1.258 -17.447   5.116
   17    HA   CYS  24           HA       CYS  24  -3.238 -15.422   4.762
   18    HB2  CYS  24           HB2      CYS  24  -0.982 -16.320   2.959
   19    HB3  CYS  24           HB1      CYS  24  -1.968 -14.870   2.806
   20    HA   PRO  25           HA       PRO  25  -6.138 -17.580   2.076
   21    HB2  PRO  25           HB2      PRO  25  -5.666 -15.317   0.194
   22    HB3  PRO  25           HB1      PRO  25  -7.212 -15.955   0.773
   23    HG2  PRO  25           HG2      PRO  25  -6.377 -13.722   1.767
   24    HG3  PRO  25           HG1      PRO  25  -6.963 -14.975   2.885
   25    HD2  PRO  25           HD2      PRO  25  -4.156 -14.199   2.248
   26    HD3  PRO  25           HD1      PRO  25  -4.905 -14.553   3.817
   27    H    SER  26           HN       SER  26  -3.586 -15.991   0.156
   28    HA   SER  26           HA       SER  26  -3.218 -18.474  -1.326
   29    HB2  SER  26           HB2      SER  26  -3.513 -15.742  -2.595
   30    HB3  SER  26           HB1      SER  26  -3.203 -17.262  -3.436
   31    HG   SER  26           HG       SER  26  -5.535 -16.250  -2.393
   32    H    SER  27           HN       SER  27  -1.169 -18.058  -2.875
   33    HA   SER  27           HA       SER  27   0.942 -17.596  -1.019
   34    HB2  SER  27           HB2      SER  27   1.029 -18.286  -3.925
   35    HB3  SER  27           HB1      SER  27   2.352 -18.463  -2.766
   36    HG   SER  27           HG       SER  27   0.184 -20.070  -3.227
   37    H    THR  28           HN       THR  28  -0.699 -15.599  -3.194
   38    HA   THR  28           HA       THR  28   1.487 -13.826  -3.768
   39    HB   THR  28           HB       THR  28  -1.495 -13.274  -3.985
   40    HG1  THR  28           HG1      THR  28   0.333 -14.564  -5.737
   41   HG21  THR  28          HG21      THR  28   0.888 -12.176  -5.506
   42   HG22  THR  28          HG22      THR  28  -0.037 -11.308  -4.290
   43   HG23  THR  28          HG23      THR  28  -0.791 -11.756  -5.811
   44    H    TRP  29           HN       TRP  29  -0.279 -14.531  -1.056
   45    HA   TRP  29           HA       TRP  29  -0.256 -11.852   0.052
   46    HB2  TRP  29           HB2      TRP  29  -1.325 -14.457   1.061
   47    HB3  TRP  29           HB1      TRP  29  -1.363 -12.960   1.989
   48    HD1  TRP  29           HD1      TRP  29  -2.739 -14.454  -1.214
   49    HE1  TRP  29           HE1      TRP  29  -5.028 -13.355  -1.719
   50    HE3  TRP  29           HE3      TRP  29  -2.704 -11.205   2.445
   51    HZ2  TRP  29           HZ2      TRP  29  -6.565 -11.307  -0.609
   52    HZ3  TRP  29           HZ3      TRP  29  -4.700  -9.603   2.753
   53    HH2  TRP  29           HH2      TRP  29  -6.550  -9.717   1.226
   54    H    ILE  30           HN       ILE  30   1.277 -11.245   1.208
   55    HA   ILE  30           HA       ILE  30   3.377 -13.077   2.000
   56    HB   ILE  30           HB       ILE  30   3.271 -10.071   1.618
   57   HG12  ILE  30          HG12      ILE  30   4.528 -12.340   0.060
   58   HG13  ILE  30          HG11      ILE  30   3.156 -11.391  -0.420
   59   HG21  ILE  30          HG21      ILE  30   5.661 -10.017   1.976
   60   HG22  ILE  30          HG22      ILE  30   5.717 -11.747   2.298
   61   HG23  ILE  30          HG23      ILE  30   4.883 -10.653   3.422
   62   HD11  ILE  30          HD11      ILE  30   5.956 -10.465  -0.094
   63   HD12  ILE  30          HD12      ILE  30   4.562  -9.433  -0.453
   64   HD13  ILE  30          HD13      ILE  30   5.031 -10.702  -1.585
   65    H    GLN  31           HN       GLN  31   3.577 -13.649   4.040
   66    HA   GLN  31           HA       GLN  31   1.882 -12.450   6.082
   67    HB2  GLN  31           HB2      GLN  31   2.022 -14.902   5.818
   68    HB3  GLN  31           HB1      GLN  31   3.736 -14.830   6.184
   69    HG2  GLN  31           HG2      GLN  31   3.077 -13.912   8.490
   70    HG3  GLN  31           HG1      GLN  31   1.430 -14.245   8.005
   71   HE21  GLN  31          HE21      GLN  31   1.309 -15.702   9.742
   72   HE22  GLN  31          HE22      GLN  31   1.902 -17.312   9.536
   73    H    PHE  32           HN       PHE  32   2.578 -11.087   7.539
   74    HA   PHE  32           HA       PHE  32   5.389 -11.025   8.199
   75    HB2  PHE  32           HB2      PHE  32   5.091  -9.429   6.440
   76    HB3  PHE  32           HB1      PHE  32   3.742  -8.696   7.277
   77    HD1  PHE  32           HD2      PHE  32   7.366  -9.377   7.553
   78    HD2  PHE  32           HD1      PHE  32   4.101  -6.943   8.671
   79    HE1  PHE  32           HE2      PHE  32   8.929  -7.776   8.543
   80    HE2  PHE  32           HE1      PHE  32   5.659  -5.310   9.672
   81    HZ   PHE  32           HZ       PHE  32   8.106  -5.742   9.564
   82    H    GLN  33           HN       GLN  33   5.525 -11.215  10.234
   83    HA   GLN  33           HA       GLN  33   5.254 -11.230  12.413
   84    HB2  GLN  33           HB2      GLN  33   3.611  -8.735  12.039
   85    HB3  GLN  33           HB1      GLN  33   4.325  -9.268  13.553
   86    HG2  GLN  33           HG2      GLN  33   6.570  -9.074  12.431
   87    HG3  GLN  33           HG1      GLN  33   5.740  -8.305  11.081
   88   HE21  GLN  33          HE21      GLN  33   7.775  -7.094  12.655
   89   HE22  GLN  33          HE22      GLN  33   7.050  -5.782  13.479
   90    H    ASP  34           HN       ASP  34   2.083 -10.091  11.394
   91    HA   ASP  34           HA       ASP  34   0.842 -12.567  12.203
   92    HB2  ASP  34           HB2      ASP  34  -0.705 -11.553  13.849
   93    HB3  ASP  34           HB1      ASP  34   0.967 -11.416  14.375
   94    H    SER  35           HN       SER  35   1.123 -10.669   9.865
   95    HA   SER  35           HA       SER  35  -1.716 -10.604   9.280
   96    HB2  SER  35           HB2      SER  35   0.095  -8.325   8.653
   97    HB3  SER  35           HB1      SER  35  -1.590  -8.423   8.320
   98    HG   SER  35           HG       SER  35  -1.279  -8.903  10.947
   99    H    CYS  36           HN       CYS  36  -2.054 -10.080   6.990
  100    HA   CYS  36           HA       CYS  36   0.055 -11.076   5.203
  101    HB2  CYS  36           HB2      CYS  36  -2.867 -11.765   5.287
  102    HB3  CYS  36           HB1      CYS  36  -1.799 -12.136   3.956
  103    H    TYR  37           HN       TYR  37   0.396 -10.262   3.552
  104    HA   TYR  37           HA       TYR  37  -0.801  -7.652   2.992
  105    HB2  TYR  37           HB2      TYR  37   1.924  -8.802   3.021
  106    HB3  TYR  37           HB1      TYR  37   1.663  -7.303   2.270
  107    HD1  TYR  37           HD1      TYR  37   1.574  -9.098   5.199
  108    HD2  TYR  37           HD2      TYR  37   1.317  -5.394   3.548
  109    HE1  TYR  37           HE1      TYR  37   1.886  -8.207   7.500
  110    HE2  TYR  37           HE2      TYR  37   1.595  -4.281   5.791
  111    HH   TYR  37           HH       TYR  37   1.707  -4.635   7.916
  112    H    ILE  38           HN       ILE  38  -1.280  -7.214   0.892
  113    HA   ILE  38           HA       ILE  38  -0.089  -8.735  -1.259
  114    HB   ILE  38           HB       ILE  38  -2.060 -10.110  -0.726
  115   HG12  ILE  38          HG12      ILE  38  -2.334  -8.576  -3.328
  116   HG13  ILE  38          HG11      ILE  38  -1.313  -9.976  -3.055
  117   HG21  ILE  38          HG21      ILE  38  -3.631  -7.604  -1.247
  118   HG22  ILE  38          HG22      ILE  38  -3.481  -8.478   0.282
  119   HG23  ILE  38          HG23      ILE  38  -4.322  -9.216  -1.079
  120   HD11  ILE  38          HD11      ILE  38  -3.323 -10.583  -4.251
  121   HD12  ILE  38          HD12      ILE  38  -4.321  -9.944  -2.940
  122   HD13  ILE  38          HD13      ILE  38  -3.280 -11.347  -2.661
  123    H    PHE  39           HN       PHE  39   0.232  -7.523  -3.075
  124    HA   PHE  39           HA       PHE  39  -1.005  -4.843  -3.052
  125    HB2  PHE  39           HB2      PHE  39   1.634  -5.495  -3.597
  126    HB3  PHE  39           HB1      PHE  39   0.883  -5.542  -5.119
  127    HD1  PHE  39           HD1      PHE  39   0.595  -3.208  -2.274
  128    HD2  PHE  39           HD2      PHE  39   1.109  -3.751  -6.414
  129    HE1  PHE  39           HE1      PHE  39   0.667  -0.775  -2.565
  130    HE2  PHE  39           HE2      PHE  39   1.180  -1.305  -6.725
  131    HZ   PHE  39           HZ       PHE  39   0.951   0.176  -4.818
  132    H    LEU  40           HN       LEU  40  -2.628  -4.643  -4.367
  133    HA   LEU  40           HA       LEU  40  -2.327  -6.142  -6.658
  134    HB2  LEU  40           HB2      LEU  40  -4.965  -5.948  -6.730
  135    HB3  LEU  40           HB1      LEU  40  -4.153  -7.352  -6.073
  136    HG   LEU  40           HG       LEU  40  -6.052  -6.785  -4.728
  137   HD11  LEU  40          HD11      LEU  40  -3.541  -6.045  -3.333
  138   HD12  LEU  40          HD12      LEU  40  -4.206  -7.647  -3.503
  139   HD13  LEU  40          HD13      LEU  40  -5.051  -6.431  -2.522
  140   HD21  LEU  40          HD21      LEU  40  -6.314  -4.639  -3.529
  141   HD22  LEU  40          HD22      LEU  40  -6.363  -4.419  -5.268
  142   HD23  LEU  40          HD23      LEU  40  -4.904  -4.007  -4.375
  143    H    GLN  41           HN       GLN  41  -1.571  -4.689  -7.872
  144    HA   GLN  41           HA       GLN  41  -2.586  -2.095  -7.949
  145    HB2  GLN  41           HB2      GLN  41  -1.035  -3.590 -10.051
  146    HB3  GLN  41           HB1      GLN  41  -1.483  -1.892 -10.193
  147    HG2  GLN  41           HG2      GLN  41  -0.397  -1.460  -8.040
  148    HG3  GLN  41           HG1      GLN  41   0.152  -3.129  -8.018
  149   HE21  GLN  41          HE21      GLN  41   2.387  -2.402  -7.896
  150   HE22  GLN  41          HE22      GLN  41   3.059  -1.694  -9.331
  151    H    GLU  42           HN       GLU  42  -4.694  -2.061  -8.019
  152    HA   GLU  42           HA       GLU  42  -6.179  -3.065 -10.351
  153    HB2  GLU  42           HB2      GLU  42  -7.096  -2.235  -7.615
  154    HB3  GLU  42           HB1      GLU  42  -8.164  -2.795  -8.876
  155    HG2  GLU  42           HG2      GLU  42  -5.972  -4.395  -7.569
  156    HG3  GLU  42           HG1      GLU  42  -7.691  -4.533  -7.200
  157    H    ALA  43           HN       ALA  43  -6.694  -1.515 -11.763
  158    HA   ALA  43           HA       ALA  43  -6.716   1.285 -10.963
  159    HB1  ALA  43           HB1      ALA  43  -5.718   0.690 -13.120
  160    HB2  ALA  43           HB2      ALA  43  -7.126   1.724 -13.347
  161    HB3  ALA  43           HB3      ALA  43  -7.250  -0.007 -13.644
  162    H    ILE  44           HN       ILE  44  -8.482   2.100 -10.145
  163    HA   ILE  44           HA       ILE  44 -11.109   1.453 -11.232
  164    HB   ILE  44           HB       ILE  44 -12.216   1.146  -9.101
  165   HG12  ILE  44          HG12      ILE  44  -9.547   1.071  -7.721
  166   HG13  ILE  44          HG11      ILE  44 -10.564   2.510  -7.799
  167   HG21  ILE  44          HG21      ILE  44  -9.919  -0.792  -9.345
  168   HG22  ILE  44          HG22      ILE  44 -11.487  -0.927 -10.136
  169   HG23  ILE  44          HG23      ILE  44 -11.364  -1.059  -8.385
  170   HD11  ILE  44          HD11      ILE  44 -12.341   1.326  -6.690
  171   HD12  ILE  44          HD12      ILE  44 -10.872   1.334  -5.710
  172   HD13  ILE  44          HD13      ILE  44 -11.343  -0.125  -6.595
  173    H    LYS  45           HN       LYS  45 -12.714   3.014 -10.657
  174    HA   LYS  45           HA       LYS  45 -11.739   5.634 -10.464
  175    HB2  LYS  45           HB2      LYS  45 -13.868   5.022 -11.553
  176    HB3  LYS  45           HB1      LYS  45 -14.548   4.636  -9.971
  177    HG2  LYS  45           HG2      LYS  45 -15.339   6.785 -10.404
  178    HG3  LYS  45           HG1      LYS  45 -13.939   7.051  -9.363
  179    HD2  LYS  45           HD2      LYS  45 -12.574   7.388 -11.439
  180    HD3  LYS  45           HD1      LYS  45 -14.071   7.344 -12.360
  181    HE2  LYS  45           HE2      LYS  45 -13.218   9.374 -10.306
  182    HE3  LYS  45           HE1      LYS  45 -13.564   9.634 -12.011
  183    HZ1  LYS  45           HZ1      LYS  45 -15.404  10.431 -10.790
  184    HZ2  LYS  45           HZ2      LYS  45 -15.431   9.099  -9.805
  185    HZ3  LYS  45           HZ3      LYS  45 -15.930   8.943 -11.432
  186    H    VAL  46           HN       VAL  46 -10.831   6.253  -8.607
  187    HA   VAL  46           HA       VAL  46 -12.000   5.441  -6.056
  188    HB   VAL  46           HB       VAL  46  -9.366   6.825  -6.588
  189   HG11  VAL  46          HG11      VAL  46  -8.827   6.350  -4.291
  190   HG12  VAL  46          HG12      VAL  46 -10.383   5.572  -4.061
  191   HG13  VAL  46          HG13      VAL  46 -10.318   7.294  -4.348
  192   HG21  VAL  46          HG21      VAL  46  -8.366   4.642  -6.082
  193   HG22  VAL  46          HG22      VAL  46  -9.426   4.596  -7.506
  194   HG23  VAL  46          HG23      VAL  46 -10.001   3.966  -5.968
  195    H    GLU  47           HN       GLU  47 -13.406   6.629  -5.356
  196    HA   GLU  47           HA       GLU  47 -13.666   9.428  -6.024
  197    HB2  GLU  47           HB2      GLU  47 -15.389   7.677  -4.222
  198    HB3  GLU  47           HB1      GLU  47 -15.711   9.263  -4.901
  199    HG2  GLU  47           HG2      GLU  47 -15.010   7.223  -6.581
  200    HG3  GLU  47           HG1      GLU  47 -16.706   7.142  -6.031
  201    H    SER  48           HN       SER  48 -13.077   7.321  -3.293
  202    HA   SER  48           HA       SER  48 -11.917   9.465  -1.735
  203    HB2  SER  48           HB2      SER  48 -14.161   7.632  -0.938
  204    HB3  SER  48           HB1      SER  48 -13.076   8.463   0.184
  205    HG   SER  48           HG       SER  48 -13.772  10.400  -0.578
  206    H    ILE  49           HN       ILE  49 -10.688   8.432   0.081
  207    HA   ILE  49           HA       ILE  49  -9.217   6.371  -1.016
  208    HB   ILE  49           HB       ILE  49  -8.276   7.946   0.587
  209   HG12  ILE  49          HG12      ILE  49  -8.151   5.019   1.285
  210   HG13  ILE  49          HG11      ILE  49  -7.361   5.826   0.180
  211   HG21  ILE  49          HG21      ILE  49  -8.697   7.440   2.961
  212   HG22  ILE  49          HG22      ILE  49 -10.096   6.487   2.351
  213   HG23  ILE  49          HG23      ILE  49 -10.016   8.267   2.067
  214   HD11  ILE  49          HD11      ILE  49  -6.918   6.739   3.010
  215   HD12  ILE  49          HD12      ILE  49  -6.139   7.341   1.581
  216   HD13  ILE  49          HD13      ILE  49  -5.816   5.684   2.100
  217    H    GLU  50           HN       GLU  50 -11.909   6.382   0.880
  218    HA   GLU  50           HA       GLU  50 -12.072   3.727   1.839
  219    HB2  GLU  50           HB2      GLU  50 -14.359   5.317   0.684
  220    HB3  GLU  50           HB1      GLU  50 -14.517   3.931   1.745
  221    HG2  GLU  50           HG2      GLU  50 -13.237   6.536   2.515
  222    HG3  GLU  50           HG1      GLU  50 -14.921   6.124   2.797
  223    H    ASP  51           HN       ASP  51 -12.527   5.024  -1.441
  224    HA   ASP  51           HA       ASP  51 -13.763   2.785  -2.591
  225    HB2  ASP  51           HB2      ASP  51 -12.306   5.167  -3.603
  226    HB3  ASP  51           HB1      ASP  51 -12.896   3.972  -4.669
  227    H    VAL  52           HN       VAL  52 -10.522   3.831  -2.080
  228    HA   VAL  52           HA       VAL  52  -9.482   1.913  -3.969
  229    HB   VAL  52           HB       VAL  52  -8.320   4.032  -3.939
  230   HG11  VAL  52          HG11      VAL  52  -7.437   5.135  -2.168
  231   HG12  VAL  52          HG12      VAL  52  -8.304   3.983  -1.099
  232   HG13  VAL  52          HG13      VAL  52  -9.189   4.932  -2.303
  233   HG21  VAL  52          HG21      VAL  52  -6.815   1.924  -2.468
  234   HG22  VAL  52          HG22      VAL  52  -6.058   3.429  -2.990
  235   HG23  VAL  52          HG23      VAL  52  -6.670   2.296  -4.202
  236    H    ARG  53           HN       ARG  53  -9.924   2.454  -0.656
  237    HA   ARG  53           HA       ARG  53  -8.281   0.388   0.179
  238    HB2  ARG  53           HB2      ARG  53  -8.931   1.334   2.390
  239    HB3  ARG  53           HB1      ARG  53  -9.114   2.550   1.230
  240    HG2  ARG  53           HG2      ARG  53 -10.762   2.684   2.699
  241    HG3  ARG  53           HG1      ARG  53 -11.381   2.069   1.113
  242    HD2  ARG  53           HD2      ARG  53 -11.874   0.018   2.030
  243    HD3  ARG  53           HD1      ARG  53 -10.407   0.251   3.016
  244    HE   ARG  53           HE       ARG  53 -11.485   1.209   4.649
  245   HH11  ARG  53          HH11      ARG  53 -13.819   0.758   1.986
  246   HH12  ARG  53          HH12      ARG  53 -15.204   0.786   2.959
  247   HH21  ARG  53          HH21      ARG  53 -13.450   1.206   6.027
  248   HH22  ARG  53          HH22      ARG  53 -14.999   1.059   5.325
  249    H    ASN  54           HN       ASN  54 -11.333   0.636  -1.121
  250    HA   ASN  54           HA       ASN  54 -12.702  -1.713  -0.345
  251    HB2  ASN  54           HB2      ASN  54 -12.749  -0.021  -2.763
  252    HB3  ASN  54           HB1      ASN  54 -13.703  -1.506  -2.763
  253   HD21  ASN  54          HD21      ASN  54 -14.718   1.111  -3.029
  254   HD22  ASN  54          HD22      ASN  54 -15.672   1.493  -1.659
  255    H    GLN  55           HN       GLN  55 -10.162  -1.149  -2.641
  256    HA   GLN  55           HA       GLN  55 -10.351  -3.497  -4.169
  257    HB2  GLN  55           HB2      GLN  55  -7.854  -1.983  -3.385
  258    HB3  GLN  55           HB1      GLN  55  -8.006  -3.103  -4.731
  259    HG2  GLN  55           HG2      GLN  55  -9.648  -1.597  -5.771
  260    HG3  GLN  55           HG1      GLN  55  -9.487  -0.556  -4.392
  261   HE21  GLN  55          HE21      GLN  55  -8.882   1.151  -5.735
  262   HE22  GLN  55          HE22      GLN  55  -7.272   1.270  -6.361
  263    H    CYS  56           HN       CYS  56  -8.902  -2.772  -1.074
  264    HA   CYS  56           HA       CYS  56  -7.747  -5.341  -0.833
  265    HB2  CYS  56           HB2      CYS  56  -8.015  -3.146   1.230
  266    HB3  CYS  56           HB1      CYS  56  -7.204  -4.656   1.318
  267    H    THR  57           HN       THR  57 -10.584  -3.633   0.431
  268    HA   THR  57           HA       THR  57 -11.223  -5.638   2.282
  269    HB   THR  57           HB       THR  57 -13.390  -4.549   2.490
  270    HG1  THR  57           HG1      THR  57 -13.950  -2.885   1.133
  271   HG21  THR  57          HG21      THR  57 -11.507  -3.620   3.680
  272   HG22  THR  57          HG22      THR  57 -12.537  -2.289   3.121
  273   HG23  THR  57          HG23      THR  57 -11.045  -2.699   2.258
  274    H    ASP  58           HN       ASP  58 -11.624  -5.349  -0.983
  275    HA   ASP  58           HA       ASP  58 -13.740  -7.164  -1.481
  276    HB2  ASP  58           HB2      ASP  58 -12.876  -5.757  -3.276
  277    HB3  ASP  58           HB1      ASP  58 -11.308  -6.539  -3.159
  278    H    HIS  59           HN       HIS  59 -10.491  -7.611  -0.462
  279    HA   HIS  59           HA       HIS  59 -10.551 -10.472  -1.109
  280    HB2  HIS  59           HB2      HIS  59  -8.169  -8.797  -0.219
  281    HB3  HIS  59           HB1      HIS  59  -8.206 -10.494  -0.594
  282    HD1  HIS  59           HD1      HIS  59  -7.669 -11.143  -3.012
  283    HD2  HIS  59           HD2      HIS  59  -8.645  -7.145  -2.571
  284    HE1  HIS  59           HE1      HIS  59  -7.211 -10.088  -5.220
  285    HE2  HIS  59           HE2      HIS  59  -8.212  -7.826  -5.006
  286    H    GLY  60           HN       GLY  60 -11.669  -8.666   1.231
  287    HA2  GLY  60           HA2      GLY  60 -12.169  -9.205   3.435
  288    HA3  GLY  60           HA1      GLY  60 -11.161 -10.642   3.212
  289    H    ALA  61           HN       ALA  61  -9.791  -7.736   2.299
  290    HA   ALA  61           HA       ALA  61  -8.136  -7.650   4.733
  291    HB1  ALA  61           HB1      ALA  61  -6.865  -8.495   2.810
  292    HB2  ALA  61           HB2      ALA  61  -6.281  -6.898   3.287
  293    HB3  ALA  61           HB3      ALA  61  -7.325  -7.072   1.875
  294    H    ASP  62           HN       ASP  62  -6.981  -5.316   4.661
  295    HA   ASP  62           HA       ASP  62  -8.726  -3.356   3.451
  296    HB2  ASP  62           HB2      ASP  62  -9.168  -3.754   6.089
  297    HB3  ASP  62           HB1      ASP  62  -7.742  -2.732   6.222
  298    H    MET  63           HN       MET  63  -7.424  -1.153   3.758
  299    HA   MET  63           HA       MET  63  -4.982  -1.738   2.419
  300    HB2  MET  63           HB2      MET  63  -5.888   0.935   3.509
  301    HB3  MET  63           HB1      MET  63  -4.427   0.702   2.565
  302    HG2  MET  63           HG2      MET  63  -5.752  -0.063   0.674
  303    HG3  MET  63           HG1      MET  63  -7.196   0.150   1.676
  304    HE1  MET  63           HE1      MET  63  -4.195   2.105  -0.263
  305    HE2  MET  63           HE2      MET  63  -3.983   2.420   1.458
  306    HE3  MET  63           HE3      MET  63  -4.517   3.702   0.387
  307    H    ILE  64           HN       ILE  64  -2.931  -1.376   2.897
  308    HA   ILE  64           HA       ILE  64  -1.646  -2.403   5.023
  309    HB   ILE  64           HB       ILE  64  -0.393  -1.941   3.157
  310   HG12  ILE  64          HG12      ILE  64   0.329   0.114   5.148
  311   HG13  ILE  64          HG11      ILE  64   0.996  -1.581   5.074
  312   HG21  ILE  64          HG21      ILE  64  -1.304   0.909   3.214
  313   HG22  ILE  64          HG22      ILE  64  -1.686  -0.365   2.034
  314   HG23  ILE  64          HG23      ILE  64  -0.054   0.268   2.146
  315   HD11  ILE  64          HD11      ILE  64   2.066  -0.970   2.993
  316   HD12  ILE  64          HD12      ILE  64   2.664  -0.006   4.337
  317   HD13  ILE  64          HD13      ILE  64   1.529   0.699   3.165
  318    H    SER  65           HN       SER  65  -0.430  -1.532   6.895
  319    HA   SER  65           HA       SER  65  -1.033   1.027   7.895
  320    HB2  SER  65           HB2      SER  65  -2.345  -1.352   9.204
  321    HB3  SER  65           HB1      SER  65  -2.195   0.245   9.956
  322    HG   SER  65           HG       SER  65  -3.260   0.278   7.413
  323    H    ILE  66           HN       ILE  66   0.629   1.648   8.926
  324    HA   ILE  66           HA       ILE  66   2.695  -0.294   9.581
  325    HB   ILE  66           HB       ILE  66   2.923   2.689   9.178
  326   HG12  ILE  66          HG12      ILE  66   3.358   0.348   7.330
  327   HG13  ILE  66          HG11      ILE  66   2.056   1.484   7.157
  328   HG21  ILE  66          HG21      ILE  66   4.900   0.482   9.291
  329   HG22  ILE  66          HG22      ILE  66   4.663   1.728  10.515
  330   HG23  ILE  66          HG23      ILE  66   5.290   2.168   8.921
  331   HD11  ILE  66          HD11      ILE  66   4.999   2.026   6.833
  332   HD12  ILE  66          HD12      ILE  66   3.706   3.209   6.586
  333   HD13  ILE  66          HD13      ILE  66   3.829   1.790   5.541
  334    H    HIS  67           HN       HIS  67   3.018  -0.728  11.593
  335    HA   HIS  67           HA       HIS  67   2.538   1.402  13.525
  336    HB2  HIS  67           HB2      HIS  67   2.330  -1.583  13.904
  337    HB3  HIS  67           HB1      HIS  67   2.309  -0.423  15.226
  338    HD1  HIS  67           HD1      HIS  67   0.122   0.567  15.805
  339    HD2  HIS  67           HD2      HIS  67   0.051  -1.235  12.076
  340    HE1  HIS  67           HE1      HIS  67  -2.264   0.628  15.077
  341    HE2  HIS  67           HE2      HIS  67  -2.258  -0.981  13.129
  342    H    ASN  68           HN       ASN  68   5.024   0.013  11.838
  343    HA   ASN  68           HA       ASN  68   6.969   0.850  13.748
  344    HB2  ASN  68           HB2      ASN  68   7.031  -2.091  12.932
  345    HB3  ASN  68           HB1      ASN  68   8.159  -1.280  13.986
  346   HD21  ASN  68          HD21      ASN  68   5.099  -2.727  13.665
  347   HD22  ASN  68          HD22      ASN  68   4.758  -2.941  15.335
  348    H    GLU  69           HN       GLU  69   9.176   0.696  12.693
  349    HA   GLU  69           HA       GLU  69   8.897   1.138   9.949
  350    HB2  GLU  69           HB2      GLU  69  11.280   1.100   9.890
  351    HB3  GLU  69           HB1      GLU  69  10.680   2.318  11.039
  352    HG2  GLU  69           HG2      GLU  69  11.265   0.545  12.769
  353    HG3  GLU  69           HG1      GLU  69  12.036  -0.332  11.461
  354    H    GLU  70           HN       GLU  70   9.336  -1.618  11.864
  355    HA   GLU  70           HA       GLU  70  10.577  -3.379  10.250
  356    HB2  GLU  70           HB2      GLU  70   9.030  -3.255  12.526
  357    HB3  GLU  70           HB1      GLU  70   8.179  -4.386  11.529
  358    HG2  GLU  70           HG2      GLU  70  11.110  -4.634  12.170
  359    HG3  GLU  70           HG1      GLU  70   9.854  -5.302  13.201
  360    H    GLU  71           HN       GLU  71   7.156  -2.393  10.442
  361    HA   GLU  71           HA       GLU  71   6.122  -3.894   8.253
  362    HB2  GLU  71           HB2      GLU  71   4.909  -2.533  10.281
  363    HB3  GLU  71           HB1      GLU  71   5.065  -1.271   9.124
  364    HG2  GLU  71           HG2      GLU  71   3.396  -3.761   8.493
  365    HG3  GLU  71           HG1      GLU  71   2.862  -2.257   9.194
  366    H    ASN  72           HN       ASN  72   7.114  -0.501   8.714
  367    HA   ASN  72           HA       ASN  72   6.334   0.545   6.345
  368    HB2  ASN  72           HB2      ASN  72   7.130   1.866   8.283
  369    HB3  ASN  72           HB1      ASN  72   8.753   1.243   7.982
  370   HD21  ASN  72          HD21      ASN  72   9.922   2.015   6.276
  371   HD22  ASN  72          HD22      ASN  72   9.467   3.490   5.479
  372    H    ALA  73           HN       ALA  73   9.469  -0.661   7.282
  373    HA   ALA  73           HA       ALA  73  10.602  -0.339   4.691
  374    HB1  ALA  73           HB1      ALA  73  11.658  -1.571   7.209
  375    HB2  ALA  73           HB2      ALA  73  11.827   0.096   6.661
  376    HB3  ALA  73           HB3      ALA  73  12.610  -1.211   5.737
  377    H    PHE  74           HN       PHE  74   8.919  -2.873   6.302
  378    HA   PHE  74           HA       PHE  74   9.781  -5.148   4.869
  379    HB2  PHE  74           HB2      PHE  74   8.159  -5.588   6.790
  380    HB3  PHE  74           HB1      PHE  74   7.225  -4.302   6.069
  381    HD1  PHE  74           HD2      PHE  74   8.546  -7.615   4.959
  382    HD2  PHE  74           HD1      PHE  74   5.400  -4.897   5.545
  383    HE1  PHE  74           HE2      PHE  74   6.943  -9.261   4.032
  384    HE2  PHE  74           HE1      PHE  74   3.884  -6.311   4.739
  385    HZ   PHE  74           HZ       PHE  74   4.547  -8.642   3.892
  386    H    ILE  75           HN       ILE  75   7.229  -2.881   4.482
  387    HA   ILE  75           HA       ILE  75   5.738  -3.899   2.216
  388    HB   ILE  75           HB       ILE  75   6.042  -1.032   3.115
  389   HG12  ILE  75          HG12      ILE  75   5.563  -2.413   5.018
  390   HG13  ILE  75          HG11      ILE  75   4.250  -1.334   4.598
  391   HG21  ILE  75          HG21      ILE  75   3.851  -0.794   2.457
  392   HG22  ILE  75          HG22      ILE  75   3.764  -2.478   1.959
  393   HG23  ILE  75          HG23      ILE  75   4.820  -1.324   1.055
  394   HD11  ILE  75          HD11      ILE  75   3.519  -3.485   5.300
  395   HD12  ILE  75          HD12      ILE  75   4.371  -4.246   3.927
  396   HD13  ILE  75          HD13      ILE  75   3.026  -3.130   3.648
  397    H    LEU  76           HN       LEU  76   8.120  -1.714   2.787
  398    HA   LEU  76           HA       LEU  76   8.387  -0.414   0.451
  399    HB2  LEU  76           HB2      LEU  76   9.334  -0.402   2.834
  400    HB3  LEU  76           HB1      LEU  76  10.748  -1.054   2.093
  401    HG   LEU  76           HG       LEU  76  10.097   0.971   0.406
  402   HD11  LEU  76          HD11      LEU  76   8.045   1.196   1.540
  403   HD12  LEU  76          HD12      LEU  76   8.952   2.702   1.490
  404   HD13  LEU  76          HD13      LEU  76   8.865   1.750   2.985
  405   HD21  LEU  76          HD21      LEU  76  11.373   1.582   3.063
  406   HD22  LEU  76          HD22      LEU  76  11.387   2.523   1.546
  407   HD23  LEU  76          HD23      LEU  76  12.217   0.965   1.611
  408    H    ASP  77           HN       ASP  77  10.134  -3.242   1.538
  409    HA   ASP  77           HA       ASP  77  11.418  -3.593  -1.134
  410    HB2  ASP  77           HB2      ASP  77  12.597  -4.102   0.980
  411    HB3  ASP  77           HB1      ASP  77  11.454  -5.385   1.280
  412    H    THR  78           HN       THR  78   8.801  -4.726   0.627
  413    HA   THR  78           HA       THR  78   8.764  -7.336  -0.483
  414    HB   THR  78           HB       THR  78   6.928  -5.726   1.214
  415    HG1  THR  78           HG1      THR  78   8.612  -6.403   2.277
  416   HG21  THR  78          HG21      THR  78   5.525  -7.219  -0.082
  417   HG22  THR  78          HG22      THR  78   5.594  -7.738   1.607
  418   HG23  THR  78          HG23      THR  78   6.542  -8.585   0.373
  419    H    LEU  79           HN       LEU  79   7.321  -4.322  -1.001
  420    HA   LEU  79           HA       LEU  79   5.282  -4.830  -2.583
  421    HB2  LEU  79           HB2      LEU  79   6.540  -2.774  -1.622
  422    HB3  LEU  79           HB1      LEU  79   7.058  -2.583  -3.255
  423    HG   LEU  79           HG       LEU  79   5.141  -1.311  -3.146
  424   HD11  LEU  79          HD11      LEU  79   4.770  -3.097  -4.808
  425   HD12  LEU  79          HD12      LEU  79   3.284  -2.414  -4.126
  426   HD13  LEU  79          HD13      LEU  79   3.878  -3.975  -3.558
  427   HD21  LEU  79          HD21      LEU  79   4.264  -3.234  -1.000
  428   HD22  LEU  79          HD22      LEU  79   3.176  -2.024  -1.682
  429   HD23  LEU  79          HD23      LEU  79   4.646  -1.506  -0.884
  430    H    LYS  80           HN       LYS  80   8.492  -3.858  -3.505
  431    HA   LYS  80           HA       LYS  80   8.361  -4.576  -6.217
  432    HB2  LYS  80           HB2      LYS  80  10.652  -3.984  -4.441
  433    HB3  LYS  80           HB1      LYS  80  10.754  -3.965  -6.220
  434    HG2  LYS  80           HG2      LYS  80  10.075  -1.818  -6.149
  435    HG3  LYS  80           HG1      LYS  80   8.559  -2.426  -5.467
  436    HD2  LYS  80           HD2      LYS  80   9.454  -0.822  -4.039
  437    HD3  LYS  80           HD1      LYS  80   9.551  -2.382  -3.264
  438    HE2  LYS  80           HE2      LYS  80  11.889  -2.629  -3.736
  439    HE3  LYS  80           HE1      LYS  80  11.931  -1.145  -4.698
  440    HZ1  LYS  80           HZ1      LYS  80  12.875  -1.034  -2.403
  441    HZ2  LYS  80           HZ2      LYS  80  11.328  -1.248  -1.782
  442    HZ3  LYS  80           HZ3      LYS  80  11.715   0.127  -2.677
  443    H    LYS  81           HN       LYS  81   9.605  -6.456  -3.350
  444    HA   LYS  81           HA       LYS  81  11.038  -8.259  -4.777
  445    HB2  LYS  81           HB2      LYS  81  11.496  -9.040  -2.716
  446    HB3  LYS  81           HB1      LYS  81  10.885  -7.502  -2.290
  447    HG2  LYS  81           HG2      LYS  81   8.779  -8.355  -2.030
  448    HG3  LYS  81           HG1      LYS  81   9.299  -9.987  -2.318
  449    HD2  LYS  81           HD2      LYS  81  10.518  -8.319  -0.088
  450    HD3  LYS  81           HD1      LYS  81   9.264  -9.554   0.187
  451    HE2  LYS  81           HE2      LYS  81  10.791 -11.073  -1.034
  452    HE3  LYS  81           HE1      LYS  81  12.051  -9.867  -0.866
  453    HZ1  LYS  81           HZ1      LYS  81  11.843  -9.960   1.546
  454    HZ2  LYS  81           HZ2      LYS  81  12.184 -11.500   0.969
  455    HZ3  LYS  81           HZ3      LYS  81  10.625 -11.115   1.439
  456    H    GLN  82           HN       GLN  82   7.623  -8.331  -3.801
  457    HA   GLN  82           HA       GLN  82   7.309 -10.989  -5.062
  458    HB2  GLN  82           HB2      GLN  82   6.477 -10.605  -2.840
  459    HB3  GLN  82           HB1      GLN  82   5.450  -9.326  -3.428
  460    HG2  GLN  82           HG2      GLN  82   4.020 -11.201  -3.265
  461    HG3  GLN  82           HG1      GLN  82   4.342 -10.986  -4.962
  462   HE21  GLN  82          HE21      GLN  82   6.526 -12.530  -2.634
  463   HE22  GLN  82          HE22      GLN  82   6.409 -14.080  -3.332
  464    H    TRP  83           HN       TRP  83   6.091  -7.694  -5.155
  465    HA   TRP  83           HA       TRP  83   4.428  -8.411  -7.442
  466    HB2  TRP  83           HB2      TRP  83   4.095  -6.080  -5.508
  467    HB3  TRP  83           HB1      TRP  83   2.941  -6.628  -6.717
  468    HD1  TRP  83           HD1      TRP  83   2.056  -9.406  -6.104
  469    HE1  TRP  83           HE1      TRP  83   1.321 -10.230  -3.720
  470    HE3  TRP  83           HE3      TRP  83   4.198  -5.900  -3.368
  471    HZ2  TRP  83           HZ2      TRP  83   1.607  -9.443  -1.094
  472    HZ3  TRP  83           HZ3      TRP  83   3.973  -5.890  -0.861
  473    HH2  TRP  83           HH2      TRP  83   2.693  -7.615   0.254
  474    H    LYS  84           HN       LYS  84   3.989  -5.702  -8.255
  475    HA   LYS  84           HA       LYS  84   6.352  -5.295  -9.845
  476    HB2  LYS  84           HB2      LYS  84   3.985  -3.465  -9.465
  477    HB3  LYS  84           HB1      LYS  84   5.217  -3.324 -10.705
  478    HG2  LYS  84           HG2      LYS  84   4.441  -5.307 -11.786
  479    HG3  LYS  84           HG1      LYS  84   3.343  -5.667 -10.452
  480    HD2  LYS  84           HD2      LYS  84   2.057  -4.665 -12.256
  481    HD3  LYS  84           HD1      LYS  84   2.163  -3.541 -10.899
  482    HE2  LYS  84           HE2      LYS  84   4.007  -2.359 -12.047
  483    HE3  LYS  84           HE1      LYS  84   3.807  -3.439 -13.420
  484    HZ1  LYS  84           HZ1      LYS  84   2.670  -1.368 -13.804
  485    HZ2  LYS  84           HZ2      LYS  84   1.809  -1.516 -12.377
  486    HZ3  LYS  84           HZ3      LYS  84   1.506  -2.582 -13.639
  487    H    GLY  85           HN       GLY  85   4.792  -2.780  -7.963
  488    HA2  GLY  85           HA2      GLY  85   5.552  -1.838  -6.336
  489    HA3  GLY  85           HA1      GLY  85   7.107  -1.918  -6.351
  490    HA   PRO  86           HA       PRO  86   5.805   1.760  -8.753
  491    HB2  PRO  86           HB2      PRO  86   4.107   3.146  -7.196
  492    HB3  PRO  86           HB1      PRO  86   3.707   1.676  -8.167
  493    HG2  PRO  86           HG2      PRO  86   3.904   1.786  -5.231
  494    HG3  PRO  86           HG1      PRO  86   2.890   0.816  -6.337
  495    HD2  PRO  86           HD2      PRO  86   5.438   0.084  -5.208
  496    HD3  PRO  86           HD1      PRO  86   4.228  -0.771  -6.169
  497    H    ASP  87           HN       ASP  87   6.241   4.157  -7.881
  498    HA   ASP  87           HA       ASP  87   8.723   4.010  -6.377
  499    HB2  ASP  87           HB2      ASP  87   8.037   5.708  -8.124
  500    HB3  ASP  87           HB1      ASP  87   7.201   6.545  -6.836
  501    H    ASP  88           HN       ASP  88   5.522   4.817  -5.850
  502    HA   ASP  88           HA       ASP  88   5.823   4.431  -3.000
  503    HB2  ASP  88           HB2      ASP  88   4.519   6.392  -2.384
  504    HB3  ASP  88           HB1      ASP  88   6.111   6.762  -2.965
  505    H    ILE  89           HN       ILE  89   4.268   3.600  -2.019
  506    HA   ILE  89           HA       ILE  89   1.901   2.671  -3.552
  507    HB   ILE  89           HB       ILE  89   1.671   0.939  -1.892
  508   HG12  ILE  89          HG12      ILE  89   3.023   2.638  -0.441
  509   HG13  ILE  89          HG11      ILE  89   2.689   1.090   0.201
  510   HG21  ILE  89          HG21      ILE  89   3.695  -0.280  -2.397
  511   HG22  ILE  89          HG22      ILE  89   4.430   1.214  -2.989
  512   HG23  ILE  89          HG23      ILE  89   3.029   0.513  -3.824
  513   HD11  ILE  89          HD11      ILE  89   5.100   2.159  -1.286
  514   HD12  ILE  89          HD12      ILE  89   5.123   0.547  -0.548
  515   HD13  ILE  89          HD13      ILE  89   5.044   2.026   0.436
  516    H    LEU  90           HN       LEU  90  -0.208   2.794  -2.454
  517    HA   LEU  90           HA       LEU  90  -0.212   5.076  -0.857
  518    HB2  LEU  90           HB2      LEU  90  -2.229   3.656  -2.404
  519    HB3  LEU  90           HB1      LEU  90  -2.693   3.575  -0.831
  520    HG   LEU  90           HG       LEU  90  -2.186   6.213  -2.109
  521   HD11  LEU  90          HD11      LEU  90  -4.599   6.292  -2.237
  522   HD12  LEU  90          HD12      LEU  90  -4.683   4.613  -1.673
  523   HD13  LEU  90          HD13      LEU  90  -3.893   5.018  -3.210
  524   HD21  LEU  90          HD21      LEU  90  -3.512   7.041  -0.264
  525   HD22  LEU  90          HD22      LEU  90  -2.057   6.204   0.304
  526   HD23  LEU  90          HD23      LEU  90  -3.621   5.402   0.390
  527    H    LEU  91           HN       LEU  91  -0.515   5.272   1.250
  528    HA   LEU  91           HA       LEU  91  -0.128   2.896   2.865
  529    HB2  LEU  91           HB2      LEU  91  -0.446   5.834   3.657
  530    HB3  LEU  91           HB1      LEU  91  -0.764   4.570   4.578
  531    HG   LEU  91           HG       LEU  91   1.136   4.425   5.461
  532   HD11  LEU  91          HD11      LEU  91   1.463   2.510   4.184
  533   HD12  LEU  91          HD12      LEU  91   2.986   3.372   4.402
  534   HD13  LEU  91          HD13      LEU  91   2.167   3.448   2.852
  535   HD21  LEU  91          HD21      LEU  91   2.364   6.086   3.295
  536   HD22  LEU  91          HD22      LEU  91   3.061   5.638   4.882
  537   HD23  LEU  91          HD23      LEU  91   1.670   6.652   4.824
  538    H    GLY  92           HN       GLY  92  -1.553   2.581   4.494
  539    HA2  GLY  92           HA2      GLY  92  -4.198   2.843   3.421
  540    HA3  GLY  92           HA1      GLY  92  -3.829   1.641   4.602
  541    H    MET  93           HN       MET  93  -3.651   5.117   4.244
  542    HA   MET  93           HA       MET  93  -4.573   5.292   6.883
  543    HB2  MET  93           HB2      MET  93  -2.744   6.074   7.675
  544    HB3  MET  93           HB1      MET  93  -1.982   5.922   6.099
  545    HG2  MET  93           HG2      MET  93  -2.672   8.193   5.513
  546    HG3  MET  93           HG1      MET  93  -3.491   8.349   7.056
  547    HE1  MET  93           HE1      MET  93  -0.003   7.466   5.528
  548    HE2  MET  93           HE2      MET  93  -0.160   6.410   6.936
  549    HE3  MET  93           HE3      MET  93   1.052   7.695   6.929
  550    H    PHE  94           HN       PHE  94  -5.917   7.015   7.220
  551    HA   PHE  94           HA       PHE  94  -6.506   8.432   4.761
  552    HB2  PHE  94           HB2      PHE  94  -8.886   8.092   5.097
  553    HB3  PHE  94           HB1      PHE  94  -8.030   6.629   5.084
  554    HD1  PHE  94           HD1      PHE  94  -7.716   5.510   6.982
  555    HD2  PHE  94           HD2      PHE  94 -10.197   8.794   7.016
  556    HE1  PHE  94           HE1      PHE  94  -8.781   4.565   8.996
  557    HE2  PHE  94           HE2      PHE  94 -11.308   7.962   9.060
  558    HZ   PHE  94           HZ       PHE  94 -10.517   5.746  10.019
  559    H    TYR  95           HN       TYR  95  -7.640  10.287   5.074
  560    HA   TYR  95           HA       TYR  95  -6.741  11.521   7.543
  561    HB2  TYR  95           HB2      TYR  95  -5.539  12.450   5.633
  562    HB3  TYR  95           HB1      TYR  95  -7.028  12.882   4.827
  563    HD1  TYR  95           HD1      TYR  95  -5.602  13.352   8.171
  564    HD2  TYR  95           HD2      TYR  95  -7.432  15.137   4.835
  565    HE1  TYR  95           HE1      TYR  95  -5.508  15.478   9.331
  566    HE2  TYR  95           HE2      TYR  95  -7.338  17.331   5.930
  567    HH   TYR  95           HH       TYR  95  -7.130  18.295   8.104
  568    H    ASP  96           HN       ASP  96  -8.264  11.551   8.832
  569    HA   ASP  96           HA       ASP  96 -11.015  11.844   8.137
  570    HB2  ASP  96           HB2      ASP  96 -10.147  10.582  10.100
  571    HB3  ASP  96           HB1      ASP  96  -9.651  12.116  10.795
  572    H    THR  97           HN       THR  97 -11.649  13.997   7.662
  573    HA   THR  97           HA       THR  97  -9.779  16.074   8.255
  574    HB   THR  97           HB       THR  97 -11.334  17.496   7.017
  575    HG1  THR  97           HG1      THR  97 -13.123  16.503   6.054
  576   HG21  THR  97          HG21      THR  97 -10.514  14.892   5.813
  577   HG22  THR  97          HG22      THR  97  -9.501  16.317   5.944
  578   HG23  THR  97          HG23      THR  97 -10.893  16.317   4.842
  579    H    ASP  98           HN       ASP  98 -12.483  14.853   9.738
  580    HA   ASP  98           HA       ASP  98 -13.322  17.256  11.105
  581    HB2  ASP  98           HB2      ASP  98 -14.845  15.448  10.754
  582    HB3  ASP  98           HB1      ASP  98 -13.844  14.353  11.680
  583    H    ASP  99           HN       ASP  99 -11.520  14.417  11.920
  584    HA   ASP  99           HA       ASP  99 -10.745  15.371  14.569
  585    HB2  ASP  99           HB2      ASP  99 -11.013  12.857  13.743
  586    HB3  ASP  99           HB1      ASP  99  -9.455  13.141  13.051
  587    H    ALA 100           HN       ALA 100  -9.774  15.438  11.353
  588    HA   ALA 100           HA       ALA 100  -8.088  16.011  10.165
  589    HB1  ALA 100           HB1      ALA 100  -8.421  18.191  11.208
  590    HB2  ALA 100           HB2      ALA 100  -6.716  17.923  10.846
  591    HB3  ALA 100           HB3      ALA 100  -7.301  17.757  12.507
  592    H    SER 101           HN       SER 101  -7.766  13.634  10.988
  593    HA   SER 101           HA       SER 101  -5.002  13.496  11.863
  594    HB2  SER 101           HB2      SER 101  -6.103  13.102  13.707
  595    HB3  SER 101           HB1      SER 101  -7.367  12.074  13.029
  596    HG   SER 101           HG       SER 101  -4.601  11.533  13.474
  597    H    PHE 102           HN       PHE 102  -3.963  11.811  11.260
  598    HA   PHE 102           HA       PHE 102  -5.021  10.498   8.997
  599    HB2  PHE 102           HB2      PHE 102  -2.216  10.455  10.082
  600    HB3  PHE 102           HB1      PHE 102  -2.754   9.581   8.670
  601    HD1  PHE 102           HD1      PHE 102  -3.667  10.838   6.806
  602    HD2  PHE 102           HD2      PHE 102  -1.564  12.625  10.012
  603    HE1  PHE 102           HE1      PHE 102  -3.208  12.852   5.408
  604    HE2  PHE 102           HE2      PHE 102  -1.088  14.602   8.662
  605    HZ   PHE 102           HZ       PHE 102  -1.890  14.734   6.381
  606    H    LYS 103           HN       LYS 103  -5.577   8.433   9.025
  607    HA   LYS 103           HA       LYS 103  -5.352   7.021  11.598
  608    HB2  LYS 103           HB2      LYS 103  -7.775   7.133   9.835
  609    HB3  LYS 103           HB1      LYS 103  -7.683   6.534  11.483
  610    HG2  LYS 103           HG2      LYS 103  -7.021   8.916  12.121
  611    HG3  LYS 103           HG1      LYS 103  -7.429   9.333  10.500
  612    HD2  LYS 103           HD2      LYS 103  -9.582   9.050  10.807
  613    HD3  LYS 103           HD1      LYS 103  -9.505   7.964  12.112
  614    HE2  LYS 103           HE2      LYS 103  -8.819  10.897  12.196
  615    HE3  LYS 103           HE1      LYS 103 -10.140  10.037  12.973
  616    HZ1  LYS 103           HZ1      LYS 103  -7.267   9.701  13.742
  617    HZ2  LYS 103           HZ2      LYS 103  -8.593   8.977  14.476
  618    HZ3  LYS 103           HZ3      LYS 103  -8.408  10.630  14.544
  619    H    TRP 104           HN       TRP 104  -5.188   4.797  11.377
  620    HA   TRP 104           HA       TRP 104  -4.566   3.807   8.735
  621    HB2  TRP 104           HB2      TRP 104  -4.585   2.567  11.481
  622    HB3  TRP 104           HB1      TRP 104  -4.213   1.677   9.991
  623    HD1  TRP 104           HD1      TRP 104  -2.517   3.043  12.782
  624    HE1  TRP 104           HE1      TRP 104  -0.100   3.701  12.230
  625    HE3  TRP 104           HE3      TRP 104  -2.786   3.126   7.670
  626    HZ2  TRP 104           HZ2      TRP 104   1.461   4.258   9.986
  627    HZ3  TRP 104           HZ3      TRP 104  -0.782   3.736   6.412
  628    HH2  TRP 104           HH2      TRP 104   1.306   4.291   7.547
  629    H    PHE 105           HN       PHE 105  -5.810   2.515   7.551
  630    HA   PHE 105           HA       PHE 105  -8.502   2.247   8.221
  631    HB2  PHE 105           HB2      PHE 105  -6.881   1.021   5.977
  632    HB3  PHE 105           HB1      PHE 105  -8.498   0.450   6.316
  633    HD1  PHE 105           HD2      PHE 105 -10.239   2.340   6.664
  634    HD2  PHE 105           HD1      PHE 105  -6.671   2.805   4.308
  635    HE1  PHE 105           HE2      PHE 105 -11.229   4.158   5.386
  636    HE2  PHE 105           HE1      PHE 105  -7.620   4.504   3.160
  637    HZ   PHE 105           HZ       PHE 105  -9.929   5.251   3.629
  638    H    ASP 106           HN       ASP 106  -5.774   0.582   9.153
  639    HA   ASP 106           HA       ASP 106  -6.765  -2.025   9.816
  640    HB2  ASP 106           HB2      ASP 106  -4.354  -1.403   9.805
  641    HB3  ASP 106           HB1      ASP 106  -4.619  -0.390  11.207
  642    H    ASN 107           HN       ASN 107  -7.447   1.059  11.005
  643    HA   ASN 107           HA       ASN 107  -8.914   1.883  12.496
  644    HB2  ASN 107           HB2      ASN 107  -9.495  -1.001  13.180
  645    HB3  ASN 107           HB1      ASN 107 -10.388   0.364  13.831
  646   HD21  ASN 107          HD21      ASN 107 -10.456   1.842  11.284
  647   HD22  ASN 107          HD22      ASN 107 -11.548   0.975  10.285
  648    H    SER 108           HN       SER 108  -6.148   1.034  13.057
  649    HA   SER 108           HA       SER 108  -6.314   1.154  15.966
  650    HB2  SER 108           HB2      SER 108  -4.104  -0.041  14.307
  651    HB3  SER 108           HB1      SER 108  -4.267  -0.109  16.066
  652    HG   SER 108           HG       SER 108  -5.342  -1.676  14.155
  653    H    ASN 109           HN       ASN 109  -4.694   2.408  16.994
  654    HA   ASN 109           HA       ASN 109  -4.354   4.989  16.057
  655    HB2  ASN 109           HB2      ASN 109  -4.047   4.305  18.515
  656    HB3  ASN 109           HB1      ASN 109  -2.534   3.595  18.012
  657   HD21  ASN 109          HD21      ASN 109  -1.580   4.859  19.499
  658   HD22  ASN 109          HD22      ASN 109  -1.358   6.534  19.206
  659    H    MET 110           HN       MET 110  -2.750   6.072  15.032
  660    HA   MET 110           HA       MET 110  -0.717   4.553  13.706
  661    HB2  MET 110           HB2      MET 110  -1.787   6.456  12.625
  662    HB3  MET 110           HB1      MET 110  -1.178   7.531  13.871
  663    HG2  MET 110           HG2      MET 110   1.069   7.233  13.127
  664    HG3  MET 110           HG1      MET 110   0.592   5.940  12.027
  665    HE1  MET 110           HE1      MET 110  -1.063   6.251  10.065
  666    HE2  MET 110           HE2      MET 110  -1.537   7.801   9.396
  667    HE3  MET 110           HE3      MET 110  -2.239   7.264  10.912
  668    H    THR 111           HN       THR 111   0.497   3.657  15.291
  669    HA   THR 111           HA       THR 111   1.548   5.267  17.398
  670    HB   THR 111           HB       THR 111   2.467   2.975  18.066
  671    HG1  THR 111           HG1      THR 111   1.808   1.291  16.964
  672   HG21  THR 111          HG21      THR 111   0.231   2.224  18.849
  673   HG22  THR 111          HG22      THR 111  -0.541   3.388  17.774
  674   HG23  THR 111          HG23      THR 111   0.458   3.947  19.099
  675    H    PHE 112           HN       PHE 112   2.504   4.582  14.266
  676    HA   PHE 112           HA       PHE 112   5.263   5.338  14.812
  677    HB2  PHE 112           HB2      PHE 112   5.005   2.698  14.505
  678    HB3  PHE 112           HB1      PHE 112   4.653   3.132  12.903
  679    HD1  PHE 112           HD2      PHE 112   7.320   3.815  15.400
  680    HD2  PHE 112           HD1      PHE 112   6.138   3.420  11.405
  681    HE1  PHE 112           HE2      PHE 112   9.674   4.068  14.737
  682    HE2  PHE 112           HE1      PHE 112   8.528   3.667  10.653
  683    HZ   PHE 112           HZ       PHE 112  10.282   4.003  12.356
  684    H    ASP 113           HN       ASP 113   6.168   6.415  13.073
  685    HA   ASP 113           HA       ASP 113   4.797   6.520  10.593
  686    HB2  ASP 113           HB2      ASP 113   4.365   8.917  10.598
  687    HB3  ASP 113           HB1      ASP 113   3.364   8.069  11.738
  688    H    LYS 114           HN       LYS 114   5.817   7.208   8.943
  689    HA   LYS 114           HA       LYS 114   8.581   8.028   9.450
  690    HB2  LYS 114           HB2      LYS 114   7.340   6.424   7.231
  691    HB3  LYS 114           HB1      LYS 114   8.991   7.013   7.237
  692    HG2  LYS 114           HG2      LYS 114   7.973   5.296   9.444
  693    HG3  LYS 114           HG1      LYS 114   8.491   4.593   7.917
  694    HD2  LYS 114           HD2      LYS 114  10.212   6.378   9.643
  695    HD3  LYS 114           HD1      LYS 114  10.254   4.618   9.690
  696    HE2  LYS 114           HE2      LYS 114  10.810   4.736   7.154
  697    HE3  LYS 114           HE1      LYS 114  11.003   6.388   7.346
  698    HZ1  LYS 114           HZ1      LYS 114  12.553   4.433   8.907
  699    HZ2  LYS 114           HZ2      LYS 114  12.690   6.100   9.015
  700    HZ3  LYS 114           HZ3      LYS 114  13.118   5.322   7.579
  701    H    TRP 115           HN       TRP 115   7.287  10.089   9.529
  702    HA   TRP 115           HA       TRP 115   6.302  11.025   6.980
  703    HB2  TRP 115           HB2      TRP 115   6.478  12.424   9.653
  704    HB3  TRP 115           HB1      TRP 115   5.848  13.188   8.213
  705    HD1  TRP 115           HD1      TRP 115   4.831  11.393  11.042
  706    HE1  TRP 115           HE1      TRP 115   2.338  10.645  10.839
  707    HE3  TRP 115           HE3      TRP 115   4.303  12.161   6.161
  708    HZ2  TRP 115           HZ2      TRP 115   0.435  10.442   8.755
  709    HZ3  TRP 115           HZ3      TRP 115   2.213  11.699   5.096
  710    HH2  TRP 115           HH2      TRP 115   0.281  10.840   6.339
  711    H    THR 116           HN       THR 116   7.315  12.228   5.582
  712    HA   THR 116           HA       THR 116  10.031  13.013   6.211
  713    HB   THR 116           HB       THR 116   9.752  11.707   4.207
  714    HG1  THR 116           HG1      THR 116  11.319  12.747   3.740
  715   HG21  THR 116          HG21      THR 116   8.561  12.554   2.201
  716   HG22  THR 116          HG22      THR 116   7.933  13.894   3.166
  717   HG23  THR 116          HG23      THR 116   7.465  12.238   3.539
  718    H    ASP 117           HN       ASP 117  10.574  15.279   5.208
  719    HA   ASP 117           HA       ASP 117   8.443  17.039   6.087
  720    HB2  ASP 117           HB2      ASP 117  10.783  17.583   6.765
  721    HB3  ASP 117           HB1      ASP 117  11.179  17.853   5.067
  722    H    GLN 118           HN       GLN 118   6.895  17.761   4.734
  723    HA   GLN 118           HA       GLN 118   7.330  17.612   1.910
  724    HB2  GLN 118           HB2      GLN 118   5.899  15.853   3.243
  725    HB3  GLN 118           HB1      GLN 118   5.188  17.417   3.725
  726    HG2  GLN 118           HG2      GLN 118   4.344  17.894   2.061
  727    HG3  GLN 118           HG1      GLN 118   5.076  16.752   0.895
  728   HE21  GLN 118          HE21      GLN 118   2.192  17.261   1.539
  729   HE22  GLN 118          HE22      GLN 118   1.528  15.735   1.990
  730    H    ASP 119           HN       ASP 119   5.579  19.065   1.059
  731    HA   ASP 119           HA       ASP 119   5.363  21.560   2.451
  732    HB2  ASP 119           HB2      ASP 119   4.876  22.369   0.292
  733    HB3  ASP 119           HB1      ASP 119   5.873  20.861   0.274
  734    H    ASP 120           HN       ASP 120   3.356  22.359   3.102
  735    HA   ASP 120           HA       ASP 120   1.103  20.540   3.208
  736    HB2  ASP 120           HB2      ASP 120   2.434  19.609   4.881
  737    HB3  ASP 120           HB1      ASP 120   2.867  21.166   5.590
  738    H    ASP 121           HN       ASP 121  -0.558  21.777   2.872
  739    HA   ASP 121           HA       ASP 121  -0.478  24.624   3.557
  740    HB2  ASP 121           HB2      ASP 121  -1.080  23.759   1.205
  741    HB3  ASP 121           HB1      ASP 121  -2.555  23.126   1.918
  742    H    GLU 122           HN       GLU 122  -3.528  24.666   3.669
  743    HA   GLU 122           HA       GLU 122  -3.828  24.139   6.458
  744    HB2  GLU 122           HB2      GLU 122  -6.122  24.240   4.537
  745    HB3  GLU 122           HB1      GLU 122  -6.008  24.816   6.183
  746    HG2  GLU 122           HG2      GLU 122  -4.446  26.498   5.386
  747    HG3  GLU 122           HG1      GLU 122  -4.841  26.032   3.748
  748    H    ASP 123           HN       ASP 123  -5.255  22.946   3.635
  749    HA   ASP 123           HA       ASP 123  -5.895  20.318   4.838
  750    HB2  ASP 123           HB2      ASP 123  -6.829  21.486   2.238
  751    HB3  ASP 123           HB1      ASP 123  -7.349  19.977   2.936
  752    H    LEU 124           HN       LEU 124  -4.878  18.624   4.234
  753    HA   LEU 124           HA       LEU 124  -3.312  18.854   1.842
  754    HB2  LEU 124           HB2      LEU 124  -2.171  16.756   2.902
  755    HB3  LEU 124           HB1      LEU 124  -1.634  18.366   3.365
  756    HG   LEU 124           HG       LEU 124  -1.682  16.762   5.181
  757   HD11  LEU 124          HD11      LEU 124  -2.967  17.987   6.870
  758   HD12  LEU 124          HD12      LEU 124  -3.705  18.948   5.593
  759   HD13  LEU 124          HD13      LEU 124  -1.969  19.016   5.857
  760   HD21  LEU 124          HD21      LEU 124  -4.578  16.526   4.534
  761   HD22  LEU 124          HD22      LEU 124  -3.889  15.985   6.075
  762   HD23  LEU 124          HD23      LEU 124  -3.342  15.265   4.553
  763    H    VAL 125           HN       VAL 125  -5.978  18.430   1.863
  764    HA   VAL 125           HA       VAL 125  -6.612  15.657   1.658
  765    HB   VAL 125           HB       VAL 125  -8.215  18.166   0.980
  766   HG11  VAL 125          HG11      VAL 125  -9.315  15.374   1.267
  767   HG12  VAL 125          HG12      VAL 125  -9.049  16.194  -0.268
  768   HG13  VAL 125          HG13      VAL 125 -10.202  16.851   0.893
  769   HG21  VAL 125          HG21      VAL 125  -7.651  17.944   3.337
  770   HG22  VAL 125          HG22      VAL 125  -8.357  16.329   3.348
  771   HG23  VAL 125          HG23      VAL 125  -9.383  17.735   3.066
  772    H    ASP 126           HN       ASP 126  -5.412  18.076  -0.282
  773    HA   ASP 126           HA       ASP 126  -6.180  17.274  -2.904
  774    HB2  ASP 126           HB2      ASP 126  -5.390  19.516  -2.595
  775    HB3  ASP 126           HB1      ASP 126  -3.878  18.953  -1.903
  776    H    THR 127           HN       THR 127  -3.973  16.024  -0.774
  777    HA   THR 127           HA       THR 127  -2.673  14.393  -2.818
  778    HB   THR 127           HB       THR 127  -1.026  15.971  -2.086
  779    HG1  THR 127           HG1      THR 127  -0.351  13.870  -0.355
  780   HG21  THR 127          HG21      THR 127  -0.476  16.343   0.287
  781   HG22  THR 127          HG22      THR 127  -1.807  15.255   0.689
  782   HG23  THR 127          HG23      THR 127  -2.165  16.791  -0.090
  783    H    CYS 128           HN       CYS 128  -1.640  12.442  -1.531
  784    HA   CYS 128           HA       CYS 128  -3.557  11.585   0.507
  785    HB2  CYS 128           HB2      CYS 128  -2.492   9.386  -1.154
  786    HB3  CYS 128           HB1      CYS 128  -4.015   9.648  -0.429
  787    H    ALA 129           HN       ALA 129  -2.392   9.105   1.160
  788    HA   ALA 129           HA       ALA 129   0.247  10.046   1.996
  789    HB1  ALA 129           HB1      ALA 129  -1.474   9.557   3.792
  790    HB2  ALA 129           HB2      ALA 129   0.024   8.650   3.879
  791    HB3  ALA 129           HB3      ALA 129  -1.402   7.849   3.287
  792    H    PHE 130           HN       PHE 130   1.799   9.043   0.895
  793    HA   PHE 130           HA       PHE 130   1.300   6.232   0.378
  794    HB2  PHE 130           HB2      PHE 130   2.894   7.924  -1.591
  795    HB3  PHE 130           HB1      PHE 130   2.643   6.270  -1.547
  796    HD1  PHE 130           HD1      PHE 130  -0.143   8.763  -1.271
  797    HD2  PHE 130           HD2      PHE 130   1.718   5.664  -3.499
  798    HE1  PHE 130           HE1      PHE 130  -2.022   8.743  -2.888
  799    HE2  PHE 130           HE2      PHE 130  -0.151   5.653  -5.074
  800    HZ   PHE 130           HZ       PHE 130  -2.017   7.206  -4.766
  801    H    LEU 131           HN       LEU 131   2.727   5.093   1.098
  802    HA   LEU 131           HA       LEU 131   5.215   6.008   2.166
  803    HB2  LEU 131           HB2      LEU 131   4.204   4.192   3.112
  804    HB3  LEU 131           HB1      LEU 131   4.008   3.368   1.580
  805    HG   LEU 131           HG       LEU 131   6.466   3.149   1.512
  806   HD11  LEU 131          HD11      LEU 131   6.257   4.254   4.228
  807   HD12  LEU 131          HD12      LEU 131   7.199   4.861   2.850
  808   HD13  LEU 131          HD13      LEU 131   7.619   3.324   3.629
  809   HD21  LEU 131          HD21      LEU 131   4.978   1.405   2.220
  810   HD22  LEU 131          HD22      LEU 131   5.111   1.992   3.891
  811   HD23  LEU 131          HD23      LEU 131   6.543   1.341   3.042
  812    H    HIS 132           HN       HIS 132   6.961   6.417   1.174
  813    HA   HIS 132           HA       HIS 132   7.447   6.008  -1.636
  814    HB2  HIS 132           HB2      HIS 132   8.315   7.874  -0.025
  815    HB3  HIS 132           HB1      HIS 132   9.501   6.691   0.423
  816    HD1  HIS 132           HD1      HIS 132  10.765   9.038  -0.624
  817    HD2  HIS 132           HD2      HIS 132   9.311   6.136  -3.173
  818    HE1  HIS 132           HE1      HIS 132  11.999   9.360  -2.713
  819    HE2  HIS 132           HE2      HIS 132  10.691   7.935  -4.362
  820    H    ILE 133           HN       ILE 133   8.111   4.299  -2.505
  821    HA   ILE 133           HA       ILE 133   8.900   1.959  -1.215
  822    HB   ILE 133           HB       ILE 133   8.529   2.962  -3.925
  823   HG12  ILE 133          HG12      ILE 133   6.666   1.792  -3.028
  824   HG13  ILE 133          HG11      ILE 133   7.409   0.750  -4.195
  825   HG21  ILE 133          HG21      ILE 133  10.627   2.165  -4.516
  826   HG22  ILE 133          HG22      ILE 133   9.522   0.868  -5.035
  827   HG23  ILE 133          HG23      ILE 133  10.428   0.715  -3.565
  828   HD11  ILE 133          HD11      ILE 133   6.805  -0.505  -2.330
  829   HD12  ILE 133          HD12      ILE 133   7.534   0.677  -1.257
  830   HD13  ILE 133          HD13      ILE 133   8.578  -0.348  -2.280
  831    H    LYS 134           HN       LYS 134  10.608   4.601  -2.330
  832    HA   LYS 134           HA       LYS 134  13.094   3.146  -2.505
  833    HB2  LYS 134           HB2      LYS 134  12.602   6.091  -2.713
  834    HB3  LYS 134           HB1      LYS 134  14.183   5.334  -2.905
  835    HG2  LYS 134           HG2      LYS 134  13.281   4.030  -4.840
  836    HG3  LYS 134           HG1      LYS 134  11.752   4.872  -4.592
  837    HD2  LYS 134           HD2      LYS 134  13.031   5.828  -6.438
  838    HD3  LYS 134           HD1      LYS 134  12.742   6.982  -5.134
  839    HE2  LYS 134           HE2      LYS 134  14.862   6.537  -4.259
  840    HE3  LYS 134           HE1      LYS 134  15.260   5.398  -5.542
  841    HZ1  LYS 134           HZ1      LYS 134  14.685   8.307  -5.966
  842    HZ2  LYS 134           HZ2      LYS 134  15.077   7.200  -7.165
  843    HZ3  LYS 134           HZ3      LYS 134  16.215   7.598  -5.986
  844    H    THR 135           HN       THR 135  11.924   5.706  -0.341
  845    HA   THR 135           HA       THR 135  14.189   5.061   1.396
  846    HB   THR 135           HB       THR 135  13.685   7.312   2.408
  847    HG1  THR 135           HG1      THR 135  12.317   8.579   1.450
  848   HG21  THR 135          HG21      THR 135  14.754   8.536   0.555
  849   HG22  THR 135          HG22      THR 135  14.393   7.186  -0.524
  850   HG23  THR 135          HG23      THR 135  15.516   6.966   0.815
  851    H    GLY 136           HN       GLY 136  10.725   5.217   1.300
  852    HA2  GLY 136           HA2      GLY 136   9.269   4.143   2.814
  853    HA3  GLY 136           HA1      GLY 136  10.639   3.945   3.922
  854    H    GLU 137           HN       GLU 137   9.325   6.690   2.301
  855    HA   GLU 137           HA       GLU 137   8.801   7.895   4.902
  856    HB2  GLU 137           HB2      GLU 137   9.812   9.086   2.369
  857    HB3  GLU 137           HB1      GLU 137   9.215  10.010   3.752
  858    HG2  GLU 137           HG2      GLU 137  10.965   9.036   5.159
  859    HG3  GLU 137           HG1      GLU 137  11.492   8.051   3.812
  860    H    TRP 138           HN       TRP 138   7.007   9.312   4.937
  861    HA   TRP 138           HA       TRP 138   4.965   8.421   3.031
  862    HB2  TRP 138           HB2      TRP 138   4.589   9.445   5.818
  863    HB3  TRP 138           HB1      TRP 138   3.365   8.743   4.766
  864    HD1  TRP 138           HD1      TRP 138   5.923   6.410   4.092
  865    HE1  TRP 138           HE1      TRP 138   6.003   4.518   5.801
  866    HE3  TRP 138           HE3      TRP 138   3.064   8.395   7.732
  867    HZ2  TRP 138           HZ2      TRP 138   5.057   3.882   8.116
  868    HZ3  TRP 138           HZ3      TRP 138   2.665   6.946   9.794
  869    HH2  TRP 138           HH2      TRP 138   3.626   4.760   9.949
  870    H    LYS 139           HN       LYS 139   3.433   9.743   2.461
  871    HA   LYS 139           HA       LYS 139   3.812  12.686   2.567
  872    HB2  LYS 139           HB2      LYS 139   2.533  10.883   0.531
  873    HB3  LYS 139           HB1      LYS 139   2.336  12.631   0.531
  874    HG2  LYS 139           HG2      LYS 139   4.612  12.950   0.315
  875    HG3  LYS 139           HG1      LYS 139   4.917  11.231   0.481
  876    HD2  LYS 139           HD2      LYS 139   3.375  12.579  -1.780
  877    HD3  LYS 139           HD1      LYS 139   5.048  12.043  -1.910
  878    HE2  LYS 139           HE2      LYS 139   4.312   9.736  -1.504
  879    HE3  LYS 139           HE1      LYS 139   2.645  10.287  -1.436
  880    HZ1  LYS 139           HZ1      LYS 139   2.774  11.005  -3.718
  881    HZ2  LYS 139           HZ2      LYS 139   3.301   9.384  -3.649
  882    HZ3  LYS 139           HZ3      LYS 139   4.408  10.634  -3.785
  883    H    LYS 140           HN       LYS 140   2.212  13.790   2.873
  884    HA   LYS 140           HA       LYS 140   0.187  12.652   4.666
  885    HB2  LYS 140           HB2      LYS 140   0.705  15.488   3.894
  886    HB3  LYS 140           HB1      LYS 140  -0.517  14.977   5.034
  887    HG2  LYS 140           HG2      LYS 140   1.305  14.019   6.429
  888    HG3  LYS 140           HG1      LYS 140   2.461  14.756   5.304
  889    HD2  LYS 140           HD2      LYS 140   1.383  16.885   5.631
  890    HD3  LYS 140           HD1      LYS 140   0.318  16.182   6.841
  891    HE2  LYS 140           HE2      LYS 140   2.294  15.559   8.156
  892    HE3  LYS 140           HE1      LYS 140   3.319  16.430   7.004
  893    HZ1  LYS 140           HZ1      LYS 140   2.868  18.002   8.708
  894    HZ2  LYS 140           HZ2      LYS 140   1.295  17.481   8.852
  895    HZ3  LYS 140           HZ3      LYS 140   1.723  18.380   7.506
  896    H    GLY 141           HN       GLY 141  -1.974  12.539   4.280
  897    HA2  GLY 141           HA2      GLY 141  -3.645  14.103   3.016
  898    HA3  GLY 141           HA1      GLY 141  -2.869  13.328   1.654
  899    H    ASN 142           HN       ASN 142  -5.023  12.782   1.257
  900    HA   ASN 142           HA       ASN 142  -5.630  10.110   2.154
  901    HB2  ASN 142           HB2      ASN 142  -8.117  10.722   2.172
  902    HB3  ASN 142           HB1      ASN 142  -7.197  11.187   3.600
  903   HD21  ASN 142          HD21      ASN 142  -7.143  13.007   0.544
  904   HD22  ASN 142          HD22      ASN 142  -8.034  14.339   1.150
  905    H    CYS 143           HN       CYS 143  -6.529   8.894   0.429
  906    HA   CYS 143           HA       CYS 143  -6.129  10.348  -1.973
  907    HB2  CYS 143           HB2      CYS 143  -5.628   7.696  -1.293
  908    HB3  CYS 143           HB1      CYS 143  -6.711   7.695  -2.693
  909    H    GLU 144           HN       GLU 144  -7.831  11.511  -1.620
  910    HA   GLU 144           HA       GLU 144 -10.415  10.451  -2.405
  911    HB2  GLU 144           HB2      GLU 144  -9.520  13.282  -1.821
  912    HB3  GLU 144           HB1      GLU 144 -11.183  12.766  -2.048
  913    HG2  GLU 144           HG2      GLU 144  -9.403  11.749   0.176
  914    HG3  GLU 144           HG1      GLU 144 -10.535  13.098   0.355
  915    H    VAL 145           HN       VAL 145  -8.208  10.299  -4.113
  916    HA   VAL 145           HA       VAL 145  -9.110  11.825  -6.457
  917    HB   VAL 145           HB       VAL 145  -6.847  11.803  -7.361
  918   HG11  VAL 145          HG11      VAL 145  -5.751  13.313  -5.771
  919   HG12  VAL 145          HG12      VAL 145  -6.945  12.792  -4.559
  920   HG13  VAL 145          HG13      VAL 145  -7.476  13.650  -6.011
  921   HG21  VAL 145          HG21      VAL 145  -5.998  10.464  -4.786
  922   HG22  VAL 145          HG22      VAL 145  -4.911  11.052  -6.043
  923   HG23  VAL 145          HG23      VAL 145  -6.014   9.720  -6.385
  924    H    SER 146           HN       SER 146  -8.963  10.692  -8.424
  925    HA   SER 146           HA       SER 146  -9.592   7.909  -8.078
  926    HB2  SER 146           HB2      SER 146  -9.582   9.578 -10.534
  927    HB3  SER 146           HB1      SER 146 -10.312   7.969 -10.358
  928    HG   SER 146           HG       SER 146 -11.301   9.291  -8.397
  929    H    SER 147           HN       SER 147  -6.808   9.517  -8.510
  930    HA   SER 147           HA       SER 147  -5.534   8.084 -10.578
  931    HB2  SER 147           HB2      SER 147  -4.321   9.720  -8.415
  932    HB3  SER 147           HB1      SER 147  -3.705   9.481 -10.052
  933    HG   SER 147           HG       SER 147  -5.149  10.865 -10.830
  934    H    VAL 148           HN       VAL 148  -6.496   6.467  -8.208
  935    HA   VAL 148           HA       VAL 148  -3.871   5.353  -7.480
  936    HB   VAL 148           HB       VAL 148  -6.321   4.480  -5.933
  937   HG11  VAL 148          HG11      VAL 148  -3.434   4.521  -5.263
  938   HG12  VAL 148          HG12      VAL 148  -4.344   3.167  -5.920
  939   HG13  VAL 148          HG13      VAL 148  -4.768   3.798  -4.347
  940   HG21  VAL 148          HG21      VAL 148  -5.802   6.169  -4.282
  941   HG22  VAL 148          HG22      VAL 148  -6.222   6.941  -5.811
  942   HG23  VAL 148          HG23      VAL 148  -4.532   6.826  -5.317
  943    H    GLU 149           HN       GLU 149  -3.318   3.594  -8.180
  944    HA   GLU 149           HA       GLU 149  -5.240   1.844  -9.495
  945    HB2  GLU 149           HB2      GLU 149  -2.556   2.624 -10.629
  946    HB3  GLU 149           HB1      GLU 149  -3.613   1.317 -11.184
  947    HG2  GLU 149           HG2      GLU 149  -5.289   2.789 -11.853
  948    HG3  GLU 149           HG1      GLU 149  -4.499   4.168 -11.098
  949    H    GLY 150           HN       GLY 150  -3.451   1.953  -6.960
  950    HA2  GLY 150           HA2      GLY 150  -3.410  -0.832  -6.726
  951    HA3  GLY 150           HA1      GLY 150  -1.779  -0.232  -7.043
  952    H    THR 151           HN       THR 151  -3.369  -1.410  -4.713
  953    HA   THR 151           HA       THR 151  -2.200   0.385  -2.771
  954    HB   THR 151           HB       THR 151  -4.510   0.988  -2.623
  955    HG1  THR 151           HG1      THR 151  -4.459  -0.924  -0.613
  956   HG21  THR 151          HG21      THR 151  -5.152  -1.963  -2.497
  957   HG22  THR 151          HG22      THR 151  -5.489  -0.897  -3.861
  958   HG23  THR 151          HG23      THR 151  -6.312  -0.649  -2.319
  959    H    LEU 152           HN       LEU 152  -1.588  -0.646  -0.873
  960    HA   LEU 152           HA       LEU 152  -1.198  -3.516  -1.195
  961    HB2  LEU 152           HB2      LEU 152   0.751  -2.043  -0.533
  962    HB3  LEU 152           HB1      LEU 152  -0.106  -1.730   0.952
  963    HG   LEU 152           HG       LEU 152  -0.384  -4.221   1.142
  964   HD11  LEU 152          HD11      LEU 152   2.093  -4.239  -0.509
  965   HD12  LEU 152          HD12      LEU 152   0.507  -4.962  -0.892
  966   HD13  LEU 152          HD13      LEU 152   1.462  -5.566   0.466
  967   HD21  LEU 152          HD21      LEU 152   0.639  -3.535   2.832
  968   HD22  LEU 152          HD22      LEU 152   1.819  -2.568   1.900
  969   HD23  LEU 152          HD23      LEU 152   2.038  -4.329   2.089
  970    H    CYS 153           HN       CYS 153  -2.189  -4.872   0.022
  971    HA   CYS 153           HA       CYS 153  -4.129  -3.764   1.887
  972    HB2  CYS 153           HB2      CYS 153  -4.083  -6.487   0.686
  973    HB3  CYS 153           HB1      CYS 153  -5.407  -5.668   1.482
  974    H    LYS 154           HN       LYS 154  -4.237  -4.476   3.839
  975    HA   LYS 154           HA       LYS 154  -2.383  -6.521   4.713
  976    HB2  LYS 154           HB2      LYS 154  -1.396  -4.480   5.462
  977    HB3  LYS 154           HB1      LYS 154  -2.938  -3.868   6.075
  978    HG2  LYS 154           HG2      LYS 154  -2.922  -5.678   7.750
  979    HG3  LYS 154           HG1      LYS 154  -1.350  -6.196   7.161
  980    HD2  LYS 154           HD2      LYS 154  -0.422  -3.986   7.758
  981    HD3  LYS 154           HD1      LYS 154  -2.007  -3.493   8.354
  982    HE2  LYS 154           HE2      LYS 154  -0.523  -5.878   9.350
  983    HE3  LYS 154           HE1      LYS 154  -0.363  -4.283  10.119
  984    HZ1  LYS 154           HZ1      LYS 154  -2.795  -4.427  10.612
  985    HZ2  LYS 154           HZ2      LYS 154  -1.928  -5.687  11.280
  986    HZ3  LYS 154           HZ3      LYS 154  -2.840  -5.957   9.899
  987    H    THR 155           HN       THR 155  -3.392  -7.987   5.875
  988    HA   THR 155           HA       THR 155  -5.927  -7.388   7.167
  989    HB   THR 155           HB       THR 155  -6.324  -8.577   4.925
  990    HG1  THR 155           HG1      THR 155  -7.993  -9.102   6.177
  991   HG21  THR 155          HG21      THR 155  -5.675 -10.967   4.742
  992   HG22  THR 155          HG22      THR 155  -4.847 -10.816   6.308
  993   HG23  THR 155          HG23      THR 155  -4.258  -9.916   4.941
  994    H    ALA 156           HN       ALA 156  -6.011  -8.654   9.109
  995    HA   ALA 156           HA       ALA 156  -3.413  -9.783   9.689
  996    HB1  ALA 156           HB1      ALA 156  -4.051  -9.800  12.012
  997    HB2  ALA 156           HB2      ALA 156  -5.695  -9.405  11.575
  998    HB3  ALA 156           HB3      ALA 156  -4.413  -8.182  11.359
  999    H    ILE 157           HN       ILE 157  -3.254 -11.809  10.738
 1000    HA   ILE 157           HA       ILE 157  -5.353 -13.472   9.768
 1001    HB   ILE 157           HB       ILE 157  -3.679 -15.303  10.077
 1002   HG12  ILE 157          HG12      ILE 157  -1.907 -12.921  10.070
 1003   HG13  ILE 157          HG11      ILE 157  -2.164 -13.965  11.461
 1004   HG21  ILE 157          HG21      ILE 157  -2.739 -14.807   7.879
 1005   HG22  ILE 157          HG22      ILE 157  -3.200 -13.120   8.063
 1006   HG23  ILE 157          HG23      ILE 157  -4.450 -14.366   7.930
 1007   HD11  ILE 157          HD11      ILE 157  -1.383 -15.782  10.267
 1008   HD12  ILE 157          HD12      ILE 157  -0.130 -14.482  10.300
 1009   HD13  ILE 157          HD13      ILE 157  -1.153 -14.775   8.840
 1010    HA   PRO 158           HA       PRO 158  -6.481 -13.975  14.037
 1011    HB2  PRO 158           HB2      PRO 158  -8.411 -15.826  12.759
 1012    HB3  PRO 158           HB1      PRO 158  -8.716 -14.418  13.807
 1013    HG2  PRO 158           HG2      PRO 158  -9.204 -14.282  11.198
 1014    HG3  PRO 158           HG1      PRO 158  -8.564 -12.901  12.112
 1015    HD2  PRO 158           HD2      PRO 158  -7.005 -14.706  10.243
 1016    HD3  PRO 158           HD1      PRO 158  -6.850 -13.008  10.534
 1017    H    TYR 159           HN       TYR 159  -5.259 -16.014  11.978
 1018    HA   TYR 159           HA       TYR 159  -5.290 -18.523  13.328
 1019    HB2  TYR 159           HB2      TYR 159  -3.342 -17.446  11.296
 1020    HB3  TYR 159           HB1      TYR 159  -3.309 -19.127  11.858
 1021    HD1  TYR 159           HD1      TYR 159  -5.228 -16.547  10.247
 1022    HD2  TYR 159           HD2      TYR 159  -4.652 -20.684  10.659
 1023    HE1  TYR 159           HE1      TYR 159  -6.633 -16.877   8.333
 1024    HE2  TYR 159           HE2      TYR 159  -6.117 -21.106   8.719
 1025    HH   TYR 159           HH       TYR 159  -7.934 -19.904   7.526
 1026    H    LYS 160           HN       LYS 160  -3.322 -15.684  13.293
 1027    HA   LYS 160           HA       LYS 160  -1.486 -16.700  15.359
 1028    HB2  LYS 160           HB2      LYS 160  -0.994 -14.708  13.134
 1029    HB3  LYS 160           HB1      LYS 160   0.143 -15.065  14.416
 1030    HG2  LYS 160           HG2      LYS 160  -0.853 -17.091  12.417
 1031    HG3  LYS 160           HG1      LYS 160   0.657 -16.193  12.260
 1032    HD2  LYS 160           HD2      LYS 160   1.367 -17.145  14.448
 1033    HD3  LYS 160           HD1      LYS 160  -0.095 -18.130  14.446
 1034    HE2  LYS 160           HE2      LYS 160   2.019 -18.200  12.296
 1035    HE3  LYS 160           HE1      LYS 160   1.945 -19.320  13.649
 1036    HZ1  LYS 160           HZ1      LYS 160  -0.218 -20.071  12.831
 1037    HZ2  LYS 160           HZ2      LYS 160   0.980 -20.270  11.687
 1038    HZ3  LYS 160           HZ3      LYS 160  -0.126 -19.038  11.496
 1039    H    ARG 161           HN       ARG 161  -4.127 -15.264  15.482
 1040    HA   ARG 161           HA       ARG 161  -3.259 -12.787  16.819
 1041    HB2  ARG 161           HB2      ARG 161  -4.903 -12.583  14.844
 1042    HB3  ARG 161           HB1      ARG 161  -6.027 -13.471  15.862
 1043    HG2  ARG 161           HG2      ARG 161  -5.945 -11.711  17.541
 1044    HG3  ARG 161           HG1      ARG 161  -4.841 -10.792  16.518
 1045    HD2  ARG 161           HD2      ARG 161  -7.094  -9.966  16.272
 1046    HD3  ARG 161           HD1      ARG 161  -6.560 -10.705  14.762
 1047    HE   ARG 161           HE       ARG 161  -7.998 -12.484  16.508
 1048   HH11  ARG 161          HH11      ARG 161  -8.434 -10.064  13.907
 1049   HH12  ARG 161          HH12      ARG 161  -9.921 -10.706  13.412
 1050   HH21  ARG 161          HH21      ARG 161 -10.042 -13.340  15.769
 1051   HH22  ARG 161          HH22      ARG 161 -10.849 -12.594  14.472
  Start of MODEL    2
    1    H1   MET  22           HT1      MET  22  -1.661 -22.649   4.744
    2    H2   MET  22           HT2      MET  22  -1.565 -21.902   6.253
    3    H3   MET  22           HT3      MET  22  -1.377 -21.005   4.839
    4    HA   MET  22           HA       MET  22  -3.600 -21.402   4.169
    5    HB2  MET  22           HB2      MET  22  -3.821 -22.912   6.780
    6    HB3  MET  22           HB1      MET  22  -5.193 -22.448   5.784
    7    HG2  MET  22           HG2      MET  22  -4.352 -23.829   3.963
    8    HG3  MET  22           HG1      MET  22  -2.952 -24.273   4.930
    9    HE1  MET  22           HE1      MET  22  -6.768 -23.922   5.998
   10    HE2  MET  22           HE2      MET  22  -7.296 -25.592   5.807
   11    HE3  MET  22           HE3      MET  22  -6.807 -24.656   4.395
   12    H    ASP  23           HN       ASP  23  -1.787 -19.818   6.391
   13    HA   ASP  23           HA       ASP  23  -3.743 -18.389   7.876
   14    HB2  ASP  23           HB2      ASP  23  -0.928 -17.541   7.085
   15    HB3  ASP  23           HB1      ASP  23  -1.935 -16.742   8.280
   16    H    CYS  24           HN       CYS  24  -1.990 -17.836   4.998
   17    HA   CYS  24           HA       CYS  24  -3.570 -15.508   4.319
   18    HB2  CYS  24           HB2      CYS  24  -1.092 -16.708   3.093
   19    HB3  CYS  24           HB1      CYS  24  -1.875 -15.208   2.608
   20    HA   PRO  25           HA       PRO  25  -6.199 -17.753   1.446
   21    HB2  PRO  25           HB2      PRO  25  -5.603 -15.437  -0.353
   22    HB3  PRO  25           HB1      PRO  25  -7.173 -16.135   0.085
   23    HG2  PRO  25           HG2      PRO  25  -6.457 -13.892   1.177
   24    HG3  PRO  25           HG1      PRO  25  -7.198 -15.162   2.176
   25    HD2  PRO  25           HD2      PRO  25  -4.336 -14.338   2.028
   26    HD3  PRO  25           HD1      PRO  25  -5.319 -14.852   3.419
   27    H    SER  26           HN       SER  26  -3.459 -16.111  -0.209
   28    HA   SER  26           HA       SER  26  -2.849 -18.642  -1.437
   29    HB2  SER  26           HB2      SER  26  -2.535 -17.489  -3.668
   30    HB3  SER  26           HB1      SER  26  -4.205 -17.626  -3.121
   31    HG   SER  26           HG       SER  26  -4.113 -15.590  -3.658
   32    H    SER  27           HN       SER  27  -0.655 -18.285  -2.807
   33    HA   SER  27           HA       SER  27   1.232 -17.409  -0.869
   34    HB2  SER  27           HB2      SER  27   1.619 -18.467  -3.642
   35    HB3  SER  27           HB1      SER  27   2.860 -18.374  -2.388
   36    HG   SER  27           HG       SER  27   2.052 -20.411  -2.378
   37    H    THR  28           HN       THR  28  -0.482 -15.706  -3.094
   38    HA   THR  28           HA       THR  28   1.526 -13.847  -3.972
   39    HB   THR  28           HB       THR  28  -1.474 -13.458  -3.797
   40    HG1  THR  28           HG1      THR  28   0.092 -14.859  -5.721
   41   HG21  THR  28          HG21      THR  28   0.613 -12.376  -5.720
   42   HG22  THR  28          HG22      THR  28  -0.116 -11.482  -4.404
   43   HG23  THR  28          HG23      THR  28  -1.110 -12.003  -5.760
   44    H    TRP  29           HN       TRP  29  -0.209 -14.561  -1.184
   45    HA   TRP  29           HA       TRP  29  -0.206 -11.917  -0.060
   46    HB2  TRP  29           HB2      TRP  29  -1.219 -14.589   0.847
   47    HB3  TRP  29           HB1      TRP  29  -1.250 -13.154   1.868
   48    HD1  TRP  29           HD1      TRP  29  -2.636 -14.398  -1.433
   49    HE1  TRP  29           HE1      TRP  29  -4.901 -13.249  -1.869
   50    HE3  TRP  29           HE3      TRP  29  -2.585 -11.470   2.493
   51    HZ2  TRP  29           HZ2      TRP  29  -6.455 -11.213  -0.570
   52    HZ3  TRP  29           HZ3      TRP  29  -4.547  -9.862   2.919
   53    HH2  TRP  29           HH2      TRP  29  -6.394  -9.809   1.396
   54    H    ILE  30           HN       ILE  30   1.154 -11.300   1.367
   55    HA   ILE  30           HA       ILE  30   3.387 -13.062   2.069
   56    HB   ILE  30           HB       ILE  30   3.273 -10.066   1.602
   57   HG12  ILE  30          HG12      ILE  30   4.497 -12.367   0.078
   58   HG13  ILE  30          HG11      ILE  30   3.098 -11.446  -0.389
   59   HG21  ILE  30          HG21      ILE  30   5.673 -10.047   1.912
   60   HG22  ILE  30          HG22      ILE  30   5.687 -11.773   2.294
   61   HG23  ILE  30          HG23      ILE  30   4.884 -10.622   3.379
   62   HD11  ILE  30          HD11      ILE  30   4.464  -9.472  -0.539
   63   HD12  ILE  30          HD12      ILE  30   4.932 -10.783  -1.613
   64   HD13  ILE  30          HD13      ILE  30   5.886 -10.457  -0.153
   65    H    GLN  31           HN       GLN  31   3.285 -13.675   4.068
   66    HA   GLN  31           HA       GLN  31   1.774 -12.227   6.058
   67    HB2  GLN  31           HB2      GLN  31   1.660 -14.713   6.035
   68    HB3  GLN  31           HB1      GLN  31   3.402 -14.767   6.272
   69    HG2  GLN  31           HG2      GLN  31   3.019 -13.697   8.473
   70    HG3  GLN  31           HG1      GLN  31   1.300 -13.764   8.122
   71   HE21  GLN  31          HE21      GLN  31   3.061 -15.029   9.994
   72   HE22  GLN  31          HE22      GLN  31   2.714 -16.724   9.979
   73    H    PHE  32           HN       PHE  32   2.596 -10.930   7.523
   74    HA   PHE  32           HA       PHE  32   5.410 -11.050   8.154
   75    HB2  PHE  32           HB2      PHE  32   5.092  -9.382   6.400
   76    HB3  PHE  32           HB1      PHE  32   3.883  -8.584   7.382
   77    HD1  PHE  32           HD2      PHE  32   7.432  -9.641   7.407
   78    HD2  PHE  32           HD1      PHE  32   4.489  -6.939   8.728
   79    HE1  PHE  32           HE2      PHE  32   9.210  -8.240   8.372
   80    HE2  PHE  32           HE1      PHE  32   6.246  -5.488   9.721
   81    HZ   PHE  32           HZ       PHE  32   8.633  -6.160   9.509
   82    H    GLN  33           HN       GLN  33   5.555 -11.266  10.194
   83    HA   GLN  33           HA       GLN  33   5.135 -11.452  12.336
   84    HB2  GLN  33           HB2      GLN  33   3.737  -8.808  11.986
   85    HB3  GLN  33           HB1      GLN  33   4.098  -9.535  13.544
   86    HG2  GLN  33           HG2      GLN  33   6.491  -9.482  12.981
   87    HG3  GLN  33           HG1      GLN  33   6.084  -8.681  11.460
   88   HE21  GLN  33          HE21      GLN  33   7.272  -6.891  12.037
   89   HE22  GLN  33          HE22      GLN  33   6.737  -5.760  13.226
   90    H    ASP  34           HN       ASP  34   2.040  -9.875  11.798
   91    HA   ASP  34           HA       ASP  34   0.758 -12.465  12.175
   92    HB2  ASP  34           HB2      ASP  34  -0.744 -11.642  13.912
   93    HB3  ASP  34           HB1      ASP  34   0.924 -11.456  14.427
   94    H    SER  35           HN       SER  35   1.111 -10.318  10.067
   95    HA   SER  35           HA       SER  35  -1.721 -10.309   9.385
   96    HB2  SER  35           HB2      SER  35   0.225  -8.104   8.791
   97    HB3  SER  35           HB1      SER  35  -1.427  -8.166   8.271
   98    HG   SER  35           HG       SER  35  -0.721  -8.292  11.014
   99    H    CYS  36           HN       CYS  36  -2.032 -10.072   7.045
  100    HA   CYS  36           HA       CYS  36   0.263 -10.960   5.415
  101    HB2  CYS  36           HB2      CYS  36  -1.744 -12.696   6.009
  102    HB3  CYS  36           HB1      CYS  36  -2.471 -11.753   4.704
  103    H    TYR  37           HN       TYR  37   0.490 -10.283   3.611
  104    HA   TYR  37           HA       TYR  37  -0.808  -7.720   3.045
  105    HB2  TYR  37           HB2      TYR  37   1.935  -8.781   3.041
  106    HB3  TYR  37           HB1      TYR  37   1.633  -7.323   2.223
  107    HD1  TYR  37           HD1      TYR  37   1.758  -8.992   5.217
  108    HD2  TYR  37           HD2      TYR  37   1.088  -5.403   3.426
  109    HE1  TYR  37           HE1      TYR  37   2.052  -8.003   7.443
  110    HE2  TYR  37           HE2      TYR  37   1.334  -4.185   5.605
  111    HH   TYR  37           HH       TYR  37   1.781  -4.391   7.657
  112    H    ILE  38           HN       ILE  38  -1.310  -7.265   0.970
  113    HA   ILE  38           HA       ILE  38  -0.109  -8.721  -1.205
  114    HB   ILE  38           HB       ILE  38  -2.077 -10.130  -0.697
  115   HG12  ILE  38          HG12      ILE  38  -2.325  -8.572  -3.285
  116   HG13  ILE  38          HG11      ILE  38  -1.276  -9.951  -3.011
  117   HG21  ILE  38          HG21      ILE  38  -4.335  -9.249  -1.084
  118   HG22  ILE  38          HG22      ILE  38  -3.652  -7.625  -1.227
  119   HG23  ILE  38          HG23      ILE  38  -3.526  -8.509   0.296
  120   HD11  ILE  38          HD11      ILE  38  -4.280  -9.984  -2.932
  121   HD12  ILE  38          HD12      ILE  38  -3.225 -11.367  -2.664
  122   HD13  ILE  38          HD13      ILE  38  -3.267 -10.586  -4.250
  123    H    PHE  39           HN       PHE  39   0.180  -7.483  -2.997
  124    HA   PHE  39           HA       PHE  39  -1.073  -4.808  -2.926
  125    HB2  PHE  39           HB2      PHE  39   1.569  -5.399  -3.401
  126    HB3  PHE  39           HB1      PHE  39   0.880  -5.493  -4.954
  127    HD1  PHE  39           HD1      PHE  39   0.566  -3.136  -2.145
  128    HD2  PHE  39           HD2      PHE  39   1.009  -3.716  -6.278
  129    HE1  PHE  39           HE1      PHE  39   0.619  -0.700  -2.457
  130    HE2  PHE  39           HE2      PHE  39   1.061  -1.267  -6.613
  131    HZ   PHE  39           HZ       PHE  39   0.855   0.228  -4.730
  132    H    LEU  40           HN       LEU  40  -2.660  -4.580  -4.305
  133    HA   LEU  40           HA       LEU  40  -2.303  -6.109  -6.567
  134    HB2  LEU  40           HB2      LEU  40  -4.943  -5.939  -6.691
  135    HB3  LEU  40           HB1      LEU  40  -4.117  -7.320  -5.995
  136    HG   LEU  40           HG       LEU  40  -6.050  -6.756  -4.703
  137   HD11  LEU  40          HD11      LEU  40  -4.235  -7.580  -3.411
  138   HD12  LEU  40          HD12      LEU  40  -5.085  -6.335  -2.475
  139   HD13  LEU  40          HD13      LEU  40  -3.569  -5.968  -3.291
  140   HD21  LEU  40          HD21      LEU  40  -6.365  -4.603  -3.561
  141   HD22  LEU  40          HD22      LEU  40  -6.350  -4.413  -5.311
  142   HD23  LEU  40          HD23      LEU  40  -4.930  -3.974  -4.368
  143    H    GLN  41           HN       GLN  41  -1.485  -4.649  -7.780
  144    HA   GLN  41           HA       GLN  41  -2.594  -2.096  -7.946
  145    HB2  GLN  41           HB2      GLN  41  -0.876  -3.521  -9.970
  146    HB3  GLN  41           HB1      GLN  41  -1.396  -1.847 -10.147
  147    HG2  GLN  41           HG2      GLN  41  -0.442  -1.358  -7.953
  148    HG3  GLN  41           HG1      GLN  41   0.190  -2.999  -7.901
  149   HE21  GLN  41          HE21      GLN  41   2.359  -2.185  -7.697
  150   HE22  GLN  41          HE22      GLN  41   3.071  -1.441  -9.099
  151    H    GLU  42           HN       GLU  42  -4.660  -2.103  -8.115
  152    HA   GLU  42           HA       GLU  42  -6.015  -3.058 -10.549
  153    HB2  GLU  42           HB2      GLU  42  -7.062  -2.451  -7.807
  154    HB3  GLU  42           HB1      GLU  42  -8.105  -2.855  -9.141
  155    HG2  GLU  42           HG2      GLU  42  -6.005  -4.691  -7.941
  156    HG3  GLU  42           HG1      GLU  42  -7.726  -4.803  -7.624
  157    H    ALA  43           HN       ALA  43  -6.348  -1.417 -11.897
  158    HA   ALA  43           HA       ALA  43  -6.383   1.351 -10.975
  159    HB1  ALA  43           HB1      ALA  43  -6.769   0.199 -13.737
  160    HB2  ALA  43           HB2      ALA  43  -5.247   0.788 -13.067
  161    HB3  ALA  43           HB3      ALA  43  -6.583   1.907 -13.344
  162    H    ILE  44           HN       ILE  44  -8.199   2.241 -10.240
  163    HA   ILE  44           HA       ILE  44 -10.732   1.635 -11.522
  164    HB   ILE  44           HB       ILE  44 -11.964   1.355  -9.462
  165   HG12  ILE  44          HG12      ILE  44  -9.388   1.359  -7.911
  166   HG13  ILE  44          HG11      ILE  44 -10.417   2.780  -8.090
  167   HG21  ILE  44          HG21      ILE  44 -11.109  -0.811  -8.608
  168   HG22  ILE  44          HG22      ILE  44  -9.629  -0.557  -9.509
  169   HG23  ILE  44          HG23      ILE  44 -11.154  -0.742 -10.366
  170   HD11  ILE  44          HD11      ILE  44 -10.850   1.647  -5.992
  171   HD12  ILE  44          HD12      ILE  44 -11.232   0.160  -6.871
  172   HD13  ILE  44          HD13      ILE  44 -12.245   1.595  -7.071
  173    H    LYS  45           HN       LYS  45 -12.338   3.262 -11.077
  174    HA   LYS  45           HA       LYS  45 -11.303   5.842 -10.860
  175    HB2  LYS  45           HB2      LYS  45 -13.305   5.358 -12.148
  176    HB3  LYS  45           HB1      LYS  45 -14.140   4.804 -10.700
  177    HG2  LYS  45           HG2      LYS  45 -14.890   7.023 -11.299
  178    HG3  LYS  45           HG1      LYS  45 -13.971   7.065  -9.783
  179    HD2  LYS  45           HD2      LYS  45 -11.996   7.746 -10.989
  180    HD3  LYS  45           HD1      LYS  45 -12.878   7.728 -12.507
  181    HE2  LYS  45           HE2      LYS  45 -13.547   9.498 -10.151
  182    HE3  LYS  45           HE1      LYS  45 -12.672  10.023 -11.584
  183    HZ1  LYS  45           HZ1      LYS  45 -14.630   9.504 -12.906
  184    HZ2  LYS  45           HZ2      LYS  45 -14.995  10.616 -11.692
  185    HZ3  LYS  45           HZ3      LYS  45 -15.451   9.005 -11.517
  186    H    VAL  46           HN       VAL  46 -10.509   6.453  -8.949
  187    HA   VAL  46           HA       VAL  46 -11.820   5.611  -6.508
  188    HB   VAL  46           HB       VAL  46  -9.159   7.012  -6.871
  189   HG11  VAL  46          HG11      VAL  46 -10.195   7.427  -4.675
  190   HG12  VAL  46          HG12      VAL  46  -8.728   6.468  -4.575
  191   HG13  VAL  46          HG13      VAL  46 -10.296   5.693  -4.425
  192   HG21  VAL  46          HG21      VAL  46  -9.830   4.142  -6.367
  193   HG22  VAL  46          HG22      VAL  46  -8.196   4.831  -6.374
  194   HG23  VAL  46          HG23      VAL  46  -9.175   4.825  -7.852
  195    H    GLU  47           HN       GLU  47 -13.208   6.812  -5.744
  196    HA   GLU  47           HA       GLU  47 -13.397   9.638  -6.363
  197    HB2  GLU  47           HB2      GLU  47 -15.237   7.817  -4.772
  198    HB3  GLU  47           HB1      GLU  47 -15.495   9.466  -5.311
  199    HG2  GLU  47           HG2      GLU  47 -14.783   7.546  -7.132
  200    HG3  GLU  47           HG1      GLU  47 -16.504   7.494  -6.660
  201    H    SER  48           HN       SER  48 -12.918   7.392  -3.729
  202    HA   SER  48           HA       SER  48 -11.875   9.473  -1.997
  203    HB2  SER  48           HB2      SER  48 -14.052   7.508  -1.347
  204    HB3  SER  48           HB1      SER  48 -13.105   8.441  -0.189
  205    HG   SER  48           HG       SER  48 -13.847  10.314  -1.152
  206    H    ILE  49           HN       ILE  49 -10.668   8.405  -0.218
  207    HA   ILE  49           HA       ILE  49  -9.146   6.347  -1.260
  208    HB   ILE  49           HB       ILE  49  -8.359   7.943   0.442
  209   HG12  ILE  49          HG12      ILE  49  -8.112   4.984   1.010
  210   HG13  ILE  49          HG11      ILE  49  -7.309   5.927   0.018
  211   HG21  ILE  49          HG21      ILE  49 -10.231   6.364   2.022
  212   HG22  ILE  49          HG22      ILE  49 -10.149   8.172   1.855
  213   HG23  ILE  49          HG23      ILE  49  -8.894   7.251   2.775
  214   HD11  ILE  49          HD11      ILE  49  -7.080   6.709   2.912
  215   HD12  ILE  49          HD12      ILE  49  -6.239   7.399   1.565
  216   HD13  ILE  49          HD13      ILE  49  -5.879   5.739   2.042
  217    H    GLU  50           HN       GLU  50 -11.896   6.411   0.542
  218    HA   GLU  50           HA       GLU  50 -12.310   3.770   1.401
  219    HB2  GLU  50           HB2      GLU  50 -14.296   5.671   0.184
  220    HB3  GLU  50           HB1      GLU  50 -14.749   4.146   0.911
  221    HG2  GLU  50           HG2      GLU  50 -13.330   6.354   2.362
  222    HG3  GLU  50           HG1      GLU  50 -15.072   6.073   2.403
  223    H    ASP  51           HN       ASP  51 -12.568   5.112  -1.888
  224    HA   ASP  51           HA       ASP  51 -13.758   2.898  -3.058
  225    HB2  ASP  51           HB2      ASP  51 -12.195   5.245  -4.031
  226    HB3  ASP  51           HB1      ASP  51 -12.690   4.033  -5.130
  227    H    VAL  52           HN       VAL  52 -10.503   3.760  -2.227
  228    HA   VAL  52           HA       VAL  52  -9.450   1.812  -4.071
  229    HB   VAL  52           HB       VAL  52  -8.151   3.845  -4.194
  230   HG11  VAL  52          HG11      VAL  52  -9.125   4.944  -2.649
  231   HG12  VAL  52          HG12      VAL  52  -7.360   5.118  -2.495
  232   HG13  VAL  52          HG13      VAL  52  -8.290   4.112  -1.341
  233   HG21  VAL  52          HG21      VAL  52  -6.894   1.807  -2.447
  234   HG22  VAL  52          HG22      VAL  52  -6.016   3.264  -2.910
  235   HG23  VAL  52          HG23      VAL  52  -6.542   2.127  -4.163
  236    H    ARG  53           HN       ARG  53  -9.863   2.494  -0.707
  237    HA   ARG  53           HA       ARG  53  -8.347   0.418   0.233
  238    HB2  ARG  53           HB2      ARG  53  -9.559   1.041   2.402
  239    HB3  ARG  53           HB1      ARG  53  -9.080   2.462   1.499
  240    HG2  ARG  53           HG2      ARG  53 -11.083   2.781   2.456
  241    HG3  ARG  53           HG1      ARG  53 -11.388   2.354   0.734
  242    HD2  ARG  53           HD2      ARG  53 -12.843   0.712   1.615
  243    HD3  ARG  53           HD1      ARG  53 -11.259   0.203   1.596
  244    HE   ARG  53           HE       ARG  53 -10.827   0.240   3.800
  245   HH11  ARG  53          HH11      ARG  53 -14.082   1.529   3.328
  246   HH12  ARG  53          HH12      ARG  53 -14.751   0.782   4.692
  247   HH21  ARG  53          HH21      ARG  53 -11.704  -0.734   5.705
  248   HH22  ARG  53          HH22      ARG  53 -13.338  -0.519   6.151
  249    H    ASN  54           HN       ASN  54 -11.415   0.589  -1.229
  250    HA   ASN  54           HA       ASN  54 -12.760  -1.723  -0.351
  251    HB2  ASN  54           HB2      ASN  54 -12.814  -0.087  -2.799
  252    HB3  ASN  54           HB1      ASN  54 -13.748  -1.595  -2.789
  253   HD21  ASN  54          HD21      ASN  54 -14.822   0.994  -3.122
  254   HD22  ASN  54          HD22      ASN  54 -15.813   1.344  -1.759
  255    H    GLN  55           HN       GLN  55 -10.229  -1.229  -2.516
  256    HA   GLN  55           HA       GLN  55 -10.323  -3.647  -3.993
  257    HB2  GLN  55           HB2      GLN  55  -7.904  -1.988  -3.287
  258    HB3  GLN  55           HB1      GLN  55  -7.993  -3.194  -4.560
  259    HG2  GLN  55           HG2      GLN  55  -9.706  -1.839  -5.684
  260    HG3  GLN  55           HG1      GLN  55  -9.580  -0.662  -4.432
  261   HE21  GLN  55          HE21      GLN  55  -8.967   0.941  -5.850
  262   HE22  GLN  55          HE22      GLN  55  -7.362   1.042  -6.493
  263    H    CYS  56           HN       CYS  56  -8.937  -2.792  -0.865
  264    HA   CYS  56           HA       CYS  56  -7.672  -5.328  -0.623
  265    HB2  CYS  56           HB2      CYS  56  -7.938  -3.094   1.393
  266    HB3  CYS  56           HB1      CYS  56  -7.081  -4.569   1.522
  267    H    THR  57           HN       THR  57 -10.491  -3.646   0.662
  268    HA   THR  57           HA       THR  57 -11.137  -5.598   2.559
  269    HB   THR  57           HB       THR  57 -13.337  -4.477   2.608
  270    HG1  THR  57           HG1      THR  57 -13.901  -3.207   0.967
  271   HG21  THR  57          HG21      THR  57 -11.492  -3.580   3.898
  272   HG22  THR  57          HG22      THR  57 -12.454  -2.239   3.249
  273   HG23  THR  57          HG23      THR  57 -10.923  -2.703   2.487
  274    H    ASP  58           HN       ASP  58 -11.454  -5.403  -0.719
  275    HA   ASP  58           HA       ASP  58 -13.530  -7.224  -1.318
  276    HB2  ASP  58           HB2      ASP  58 -12.540  -5.709  -2.992
  277    HB3  ASP  58           HB1      ASP  58 -11.019  -6.565  -2.868
  278    H    HIS  59           HN       HIS  59 -10.457  -7.724   0.057
  279    HA   HIS  59           HA       HIS  59 -10.549 -10.596  -0.596
  280    HB2  HIS  59           HB2      HIS  59  -8.107  -8.999   0.158
  281    HB3  HIS  59           HB1      HIS  59  -8.206 -10.704  -0.242
  282    HD1  HIS  59           HD1      HIS  59  -7.889 -11.297  -2.737
  283    HD2  HIS  59           HD2      HIS  59  -8.421  -7.244  -2.033
  284    HE1  HIS  59           HE1      HIS  59  -7.299 -10.111  -4.902
  285    HE2  HIS  59           HE2      HIS  59  -7.972  -7.766  -4.487
  286    H    GLY  60           HN       GLY  60 -11.679  -8.847   1.700
  287    HA2  GLY  60           HA2      GLY  60 -11.954  -9.170   3.961
  288    HA3  GLY  60           HA1      GLY  60 -11.036 -10.665   3.767
  289    H    ALA  61           HN       ALA  61  -9.740  -7.716   2.709
  290    HA   ALA  61           HA       ALA  61  -7.915  -7.600   5.020
  291    HB1  ALA  61           HB1      ALA  61  -7.278  -7.023   2.114
  292    HB2  ALA  61           HB2      ALA  61  -6.796  -8.479   2.962
  293    HB3  ALA  61           HB3      ALA  61  -6.142  -6.911   3.458
  294    H    ASP  62           HN       ASP  62  -6.850  -5.237   4.881
  295    HA   ASP  62           HA       ASP  62  -8.654  -3.351   3.638
  296    HB2  ASP  62           HB2      ASP  62  -9.104  -3.677   6.274
  297    HB3  ASP  62           HB1      ASP  62  -7.687  -2.633   6.395
  298    H    MET  63           HN       MET  63  -7.439  -1.118   3.877
  299    HA   MET  63           HA       MET  63  -4.992  -1.673   2.546
  300    HB2  MET  63           HB2      MET  63  -5.977   0.993   3.569
  301    HB3  MET  63           HB1      MET  63  -4.501   0.779   2.642
  302    HG2  MET  63           HG2      MET  63  -5.809  -0.083   0.761
  303    HG3  MET  63           HG1      MET  63  -7.260   0.138   1.746
  304    HE1  MET  63           HE1      MET  63  -4.622   3.699   0.385
  305    HE2  MET  63           HE2      MET  63  -4.278   2.127  -0.243
  306    HE3  MET  63           HE3      MET  63  -4.076   2.452   1.493
  307    H    ILE  64           HN       ILE  64  -2.971  -1.342   2.995
  308    HA   ILE  64           HA       ILE  64  -1.665  -2.376   5.062
  309    HB   ILE  64           HB       ILE  64  -0.434  -1.928   3.211
  310   HG12  ILE  64          HG12      ILE  64   0.345   0.128   5.184
  311   HG13  ILE  64          HG11      ILE  64   0.997  -1.568   5.099
  312   HG21  ILE  64          HG21      ILE  64  -0.088   0.280   2.194
  313   HG22  ILE  64          HG22      ILE  64  -1.341   0.924   3.277
  314   HG23  ILE  64          HG23      ILE  64  -1.726  -0.344   2.104
  315   HD11  ILE  64          HD11      ILE  64   1.999  -0.967   2.980
  316   HD12  ILE  64          HD12      ILE  64   2.658  -0.006   4.309
  317   HD13  ILE  64          HD13      ILE  64   1.488   0.705   3.176
  318    H    SER  65           HN       SER  65  -0.536  -1.752   6.967
  319    HA   SER  65           HA       SER  65  -1.016   0.870   7.995
  320    HB2  SER  65           HB2      SER  65  -2.989  -0.215   8.740
  321    HB3  SER  65           HB1      SER  65  -2.084  -1.637   9.275
  322    HG   SER  65           HG       SER  65  -2.019   0.968  10.381
  323    H    ILE  66           HN       ILE  66   0.778   1.538   8.934
  324    HA   ILE  66           HA       ILE  66   2.851  -0.397   9.468
  325    HB   ILE  66           HB       ILE  66   3.025   2.601   9.173
  326   HG12  ILE  66          HG12      ILE  66   3.563   0.311   7.292
  327   HG13  ILE  66          HG11      ILE  66   2.217   1.400   7.136
  328   HG21  ILE  66          HG21      ILE  66   5.097   0.458   9.276
  329   HG22  ILE  66          HG22      ILE  66   4.785   1.640  10.530
  330   HG23  ILE  66          HG23      ILE  66   5.437   2.162   8.979
  331   HD11  ILE  66          HD11      ILE  66   5.136   2.018   6.810
  332   HD12  ILE  66          HD12      ILE  66   3.824   3.195   6.636
  333   HD13  ILE  66          HD13      ILE  66   3.938   1.817   5.534
  334    H    HIS  67           HN       HIS  67   3.139  -0.977  11.419
  335    HA   HIS  67           HA       HIS  67   2.685   0.986  13.525
  336    HB2  HIS  67           HB2      HIS  67   2.521  -2.028  13.654
  337    HB3  HIS  67           HB1      HIS  67   2.517  -1.000  15.083
  338    HD1  HIS  67           HD1      HIS  67   0.267  -0.140  15.817
  339    HD2  HIS  67           HD2      HIS  67   0.220  -1.496  11.894
  340    HE1  HIS  67           HE1      HIS  67  -2.102   0.069  15.039
  341    HE2  HIS  67           HE2      HIS  67  -2.090  -1.250  12.891
  342    H    ASN  68           HN       ASN  68   5.181  -0.195  11.704
  343    HA   ASN  68           HA       ASN  68   7.133   0.527  13.659
  344    HB2  ASN  68           HB2      ASN  68   7.082  -2.327  12.652
  345    HB3  ASN  68           HB1      ASN  68   8.432  -1.644  13.527
  346   HD21  ASN  68          HD21      ASN  68   5.390  -3.087  13.590
  347   HD22  ASN  68          HD22      ASN  68   5.268  -3.355  15.279
  348    H    GLU  69           HN       GLU  69   9.331   0.416  12.719
  349    HA   GLU  69           HA       GLU  69   9.503   1.217  10.063
  350    HB2  GLU  69           HB2      GLU  69  11.865   0.830  10.322
  351    HB3  GLU  69           HB1      GLU  69  11.264   1.701  11.754
  352    HG2  GLU  69           HG2      GLU  69  11.201  -0.525  12.842
  353    HG3  GLU  69           HG1      GLU  69  11.934  -1.199  11.422
  354    H    GLU  70           HN       GLU  70   9.498  -1.863  11.713
  355    HA   GLU  70           HA       GLU  70  10.650  -3.524  10.044
  356    HB2  GLU  70           HB2      GLU  70   8.583  -3.374  12.063
  357    HB3  GLU  70           HB1      GLU  70   8.771  -4.929  11.397
  358    HG2  GLU  70           HG2      GLU  70  10.796  -3.214  12.833
  359    HG3  GLU  70           HG1      GLU  70  10.058  -4.706  13.412
  360    H    GLU  71           HN       GLU  71   7.272  -2.504  10.377
  361    HA   GLU  71           HA       GLU  71   6.180  -3.923   8.184
  362    HB2  GLU  71           HB2      GLU  71   5.107  -2.550  10.272
  363    HB3  GLU  71           HB1      GLU  71   5.183  -1.298   9.084
  364    HG2  GLU  71           HG2      GLU  71   3.496  -3.814   8.646
  365    HG3  GLU  71           HG1      GLU  71   3.006  -2.251   9.259
  366    H    ASN  72           HN       ASN  72   7.302  -0.561   8.685
  367    HA   ASN  72           HA       ASN  72   6.541   0.536   6.294
  368    HB2  ASN  72           HB2      ASN  72   7.332   1.857   8.263
  369    HB3  ASN  72           HB1      ASN  72   8.939   1.202   8.000
  370   HD21  ASN  72          HD21      ASN  72  10.203   1.976   6.392
  371   HD22  ASN  72          HD22      ASN  72   9.778   3.311   5.392
  372    H    ALA  73           HN       ALA  73   9.645  -0.779   7.217
  373    HA   ALA  73           HA       ALA  73  10.826  -0.498   4.633
  374    HB1  ALA  73           HB1      ALA  73  12.733  -1.550   5.624
  375    HB2  ALA  73           HB2      ALA  73  11.735  -1.989   7.058
  376    HB3  ALA  73           HB3      ALA  73  12.054  -0.304   6.698
  377    H    PHE  74           HN       PHE  74   9.066  -3.017   6.258
  378    HA   PHE  74           HA       PHE  74   9.720  -5.257   4.744
  379    HB2  PHE  74           HB2      PHE  74   8.112  -5.545   6.733
  380    HB3  PHE  74           HB1      PHE  74   7.213  -4.296   5.937
  381    HD1  PHE  74           HD2      PHE  74   8.471  -7.643   4.873
  382    HD2  PHE  74           HD1      PHE  74   5.368  -4.898   5.510
  383    HE1  PHE  74           HE2      PHE  74   6.852  -9.270   3.971
  384    HE2  PHE  74           HE1      PHE  74   3.829  -6.301   4.723
  385    HZ   PHE  74           HZ       PHE  74   4.458  -8.632   3.865
  386    H    ILE  75           HN       ILE  75   7.257  -2.883   4.440
  387    HA   ILE  75           HA       ILE  75   5.712  -3.846   2.197
  388    HB   ILE  75           HB       ILE  75   6.086  -1.006   3.153
  389   HG12  ILE  75          HG12      ILE  75   5.585  -2.441   5.005
  390   HG13  ILE  75          HG11      ILE  75   4.292  -1.321   4.665
  391   HG21  ILE  75          HG21      ILE  75   3.845  -2.386   1.829
  392   HG22  ILE  75          HG22      ILE  75   4.848  -1.051   1.145
  393   HG23  ILE  75          HG23      ILE  75   3.812  -0.812   2.591
  394   HD11  ILE  75          HD11      ILE  75   4.352  -4.219   3.924
  395   HD12  ILE  75          HD12      ILE  75   3.030  -3.068   3.635
  396   HD13  ILE  75          HD13      ILE  75   3.522  -3.455   5.292
  397    H    LEU  76           HN       LEU  76   8.104  -1.659   2.754
  398    HA   LEU  76           HA       LEU  76   8.384  -0.359   0.424
  399    HB2  LEU  76           HB2      LEU  76   9.351  -0.395   2.816
  400    HB3  LEU  76           HB1      LEU  76  10.756  -1.020   2.043
  401    HG   LEU  76           HG       LEU  76  10.083   1.071   0.426
  402   HD11  LEU  76          HD11      LEU  76   8.941   2.776   1.591
  403   HD12  LEU  76          HD12      LEU  76   8.838   1.711   3.003
  404   HD13  LEU  76          HD13      LEU  76   8.029   1.262   1.524
  405   HD21  LEU  76          HD21      LEU  76  12.202   1.062   1.665
  406   HD22  LEU  76          HD22      LEU  76  11.308   1.686   3.089
  407   HD23  LEU  76          HD23      LEU  76  11.341   2.596   1.554
  408    H    ASP  77           HN       ASP  77  10.100  -3.220   1.472
  409    HA   ASP  77           HA       ASP  77  11.407  -3.586  -1.197
  410    HB2  ASP  77           HB2      ASP  77  12.507  -4.102   0.993
  411    HB3  ASP  77           HB1      ASP  77  11.348  -5.388   1.197
  412    H    THR  78           HN       THR  78   8.743  -4.689   0.553
  413    HA   THR  78           HA       THR  78   8.684  -7.300  -0.574
  414    HB   THR  78           HB       THR  78   6.836  -5.707   1.137
  415    HG1  THR  78           HG1      THR  78   8.544  -6.341   2.197
  416   HG21  THR  78          HG21      THR  78   5.470  -7.238  -0.153
  417   HG22  THR  78          HG22      THR  78   5.552  -7.759   1.535
  418   HG23  THR  78          HG23      THR  78   6.521  -8.577   0.296
  419    H    LEU  79           HN       LEU  79   7.279  -4.302  -1.082
  420    HA   LEU  79           HA       LEU  79   5.214  -4.804  -2.680
  421    HB2  LEU  79           HB2      LEU  79   6.505  -2.770  -1.679
  422    HB3  LEU  79           HB1      LEU  79   6.972  -2.549  -3.319
  423    HG   LEU  79           HG       LEU  79   5.066  -1.285  -3.123
  424   HD11  LEU  79          HD11      LEU  79   3.785  -3.935  -3.569
  425   HD12  LEU  79          HD12      LEU  79   4.696  -3.078  -4.805
  426   HD13  LEU  79          HD13      LEU  79   3.205  -2.368  -4.145
  427   HD21  LEU  79          HD21      LEU  79   3.152  -1.942  -1.608
  428   HD22  LEU  79          HD22      LEU  79   4.675  -1.608  -0.840
  429   HD23  LEU  79          HD23      LEU  79   4.170  -3.297  -1.064
  430    H    LYS  80           HN       LYS  80   8.424  -3.836  -3.592
  431    HA   LYS  80           HA       LYS  80   8.306  -4.523  -6.320
  432    HB2  LYS  80           HB2      LYS  80  10.591  -3.995  -4.506
  433    HB3  LYS  80           HB1      LYS  80  10.718  -3.945  -6.282
  434    HG2  LYS  80           HG2      LYS  80  10.063  -1.789  -6.187
  435    HG3  LYS  80           HG1      LYS  80   8.546  -2.386  -5.508
  436    HD2  LYS  80           HD2      LYS  80   9.457  -0.821  -4.082
  437    HD3  LYS  80           HD1      LYS  80   9.518  -2.389  -3.318
  438    HE2  LYS  80           HE2      LYS  80  11.830  -2.694  -3.729
  439    HE3  LYS  80           HE1      LYS  80  11.949  -1.250  -4.746
  440    HZ1  LYS  80           HZ1      LYS  80  12.884  -1.059  -2.492
  441    HZ2  LYS  80           HZ2      LYS  80  11.331  -1.227  -1.818
  442    HZ3  LYS  80           HZ3      LYS  80  11.722   0.088  -2.806
  443    H    LYS  81           HN       LYS  81   9.497  -6.404  -3.448
  444    HA   LYS  81           HA       LYS  81  10.915  -8.222  -4.861
  445    HB2  LYS  81           HB2      LYS  81  11.402  -8.963  -2.808
  446    HB3  LYS  81           HB1      LYS  81  10.761  -7.438  -2.363
  447    HG2  LYS  81           HG2      LYS  81   8.658  -8.352  -2.118
  448    HG3  LYS  81           HG1      LYS  81   9.240  -9.966  -2.400
  449    HD2  LYS  81           HD2      LYS  81  10.379  -8.246  -0.175
  450    HD3  LYS  81           HD1      LYS  81   9.172  -9.527   0.097
  451    HE2  LYS  81           HE2      LYS  81  10.779 -10.987  -1.099
  452    HE3  LYS  81           HE1      LYS  81  11.974  -9.710  -0.927
  453    HZ1  LYS  81           HZ1      LYS  81  12.253 -11.189   0.908
  454    HZ2  LYS  81           HZ2      LYS  81  10.615 -11.154   1.271
  455    HZ3  LYS  81           HZ3      LYS  81  11.543  -9.770   1.514
  456    H    GLN  82           HN       GLN  82   7.510  -8.265  -3.863
  457    HA   GLN  82           HA       GLN  82   7.193 -10.931  -5.095
  458    HB2  GLN  82           HB2      GLN  82   6.387 -10.458  -2.835
  459    HB3  GLN  82           HB1      GLN  82   5.266  -9.307  -3.512
  460    HG2  GLN  82           HG2      GLN  82   3.978 -11.270  -3.247
  461    HG3  GLN  82           HG1      GLN  82   4.332 -11.145  -4.953
  462   HE21  GLN  82          HE21      GLN  82   6.633 -12.344  -2.512
  463   HE22  GLN  82          HE22      GLN  82   6.632 -13.940  -3.109
  464    H    TRP  83           HN       TRP  83   5.959  -7.641  -5.226
  465    HA   TRP  83           HA       TRP  83   4.276  -8.416  -7.484
  466    HB2  TRP  83           HB2      TRP  83   3.908  -6.063  -5.565
  467    HB3  TRP  83           HB1      TRP  83   2.760  -6.642  -6.778
  468    HD1  TRP  83           HD1      TRP  83   1.915  -9.411  -6.150
  469    HE1  TRP  83           HE1      TRP  83   1.234 -10.258  -3.757
  470    HE3  TRP  83           HE3      TRP  83   4.074  -5.879  -3.416
  471    HZ2  TRP  83           HZ2      TRP  83   1.569  -9.481  -1.130
  472    HZ3  TRP  83           HZ3      TRP  83   3.892  -5.898  -0.917
  473    HH2  TRP  83           HH2      TRP  83   2.656  -7.642   0.210
  474    H    LYS  84           HN       LYS  84   3.805  -5.719  -8.257
  475    HA   LYS  84           HA       LYS  84   6.077  -5.259  -9.936
  476    HB2  LYS  84           HB2      LYS  84   3.768  -3.407  -9.373
  477    HB3  LYS  84           HB1      LYS  84   4.892  -3.312 -10.718
  478    HG2  LYS  84           HG2      LYS  84   4.010  -5.345 -11.656
  479    HG3  LYS  84           HG1      LYS  84   2.963  -5.579 -10.253
  480    HD2  LYS  84           HD2      LYS  84   1.657  -4.637 -12.077
  481    HD3  LYS  84           HD1      LYS  84   1.830  -3.449 -10.784
  482    HE2  LYS  84           HE2      LYS  84   3.686  -2.392 -12.049
  483    HE3  LYS  84           HE1      LYS  84   3.402  -3.543 -13.351
  484    HZ1  LYS  84           HZ1      LYS  84   1.158  -2.615 -13.591
  485    HZ2  LYS  84           HZ2      LYS  84   2.360  -1.462 -13.816
  486    HZ3  LYS  84           HZ3      LYS  84   1.503  -1.494 -12.369
  487    H    GLY  85           HN       GLY  85   4.657  -2.904  -7.772
  488    HA2  GLY  85           HA2      GLY  85   5.497  -1.851  -6.308
  489    HA3  GLY  85           HA1      GLY  85   7.034  -1.978  -6.314
  490    HA   PRO  86           HA       PRO  86   5.635   1.680  -8.818
  491    HB2  PRO  86           HB2      PRO  86   3.887   3.015  -7.333
  492    HB3  PRO  86           HB1      PRO  86   3.524   1.465  -8.185
  493    HG2  PRO  86           HG2      PRO  86   3.942   1.793  -5.259
  494    HG3  PRO  86           HG1      PRO  86   2.797   0.786  -6.184
  495    HD2  PRO  86           HD2      PRO  86   5.340   0.005  -5.225
  496    HD3  PRO  86           HD1      PRO  86   4.119  -0.822  -6.199
  497    H    ASP  87           HN       ASP  87   5.920   4.094  -8.082
  498    HA   ASP  87           HA       ASP  87   8.394   4.319  -6.661
  499    HB2  ASP  87           HB2      ASP  87   6.436   6.404  -7.557
  500    HB3  ASP  87           HB1      ASP  87   7.853   6.832  -6.622
  501    H    ASP  88           HN       ASP  88   5.080   5.111  -5.769
  502    HA   ASP  88           HA       ASP  88   5.819   4.494  -3.009
  503    HB2  ASP  88           HB2      ASP  88   3.790   6.727  -3.316
  504    HB3  ASP  88           HB1      ASP  88   4.817   6.207  -2.022
  505    H    ILE  89           HN       ILE  89   4.249   3.620  -1.931
  506    HA   ILE  89           HA       ILE  89   1.936   2.640  -3.485
  507    HB   ILE  89           HB       ILE  89   1.698   0.928  -1.821
  508   HG12  ILE  89          HG12      ILE  89   2.986   2.628  -0.351
  509   HG13  ILE  89          HG11      ILE  89   2.702   1.069   0.281
  510   HG21  ILE  89          HG21      ILE  89   3.759  -0.252  -2.282
  511   HG22  ILE  89          HG22      ILE  89   4.456   1.245  -2.912
  512   HG23  ILE  89          HG23      ILE  89   3.072   0.483  -3.728
  513   HD11  ILE  89          HD11      ILE  89   5.107   2.215  -1.174
  514   HD12  ILE  89          HD12      ILE  89   5.167   0.610  -0.425
  515   HD13  ILE  89          HD13      ILE  89   5.025   2.093   0.547
  516    H    LEU  90           HN       LEU  90  -0.223   2.744  -2.426
  517    HA   LEU  90           HA       LEU  90  -0.251   5.008  -0.814
  518    HB2  LEU  90           HB2      LEU  90  -2.256   3.610  -2.402
  519    HB3  LEU  90           HB1      LEU  90  -2.742   3.515  -0.843
  520    HG   LEU  90           HG       LEU  90  -2.197   6.161  -2.101
  521   HD11  LEU  90          HD11      LEU  90  -3.931   4.939  -3.162
  522   HD12  LEU  90          HD12      LEU  90  -4.582   6.287  -2.240
  523   HD13  LEU  90          HD13      LEU  90  -4.724   4.629  -1.616
  524   HD21  LEU  90          HD21      LEU  90  -2.039   6.167   0.307
  525   HD22  LEU  90          HD22      LEU  90  -3.596   5.352   0.415
  526   HD23  LEU  90          HD23      LEU  90  -3.501   7.000  -0.237
  527    H    LEU  91           HN       LEU  91  -0.567   5.175   1.249
  528    HA   LEU  91           HA       LEU  91  -0.142   2.820   2.927
  529    HB2  LEU  91           HB2      LEU  91  -0.295   5.823   3.484
  530    HB3  LEU  91           HB1      LEU  91  -0.931   4.703   4.400
  531    HG   LEU  91           HG       LEU  91   0.751   3.965   5.513
  532   HD11  LEU  91          HD11      LEU  91   2.948   3.490   4.556
  533   HD12  LEU  91          HD12      LEU  91   2.303   3.906   2.959
  534   HD13  LEU  91          HD13      LEU  91   1.620   2.564   3.895
  535   HD21  LEU  91          HD21      LEU  91   1.073   6.387   5.537
  536   HD22  LEU  91          HD22      LEU  91   2.179   6.242   4.175
  537   HD23  LEU  91          HD23      LEU  91   2.586   5.520   5.723
  538    H    GLY  92           HN       GLY  92  -1.535   2.610   4.545
  539    HA2  GLY  92           HA2      GLY  92  -4.184   2.830   3.452
  540    HA3  GLY  92           HA1      GLY  92  -3.876   1.628   4.646
  541    H    MET  93           HN       MET  93  -3.632   5.063   4.173
  542    HA   MET  93           HA       MET  93  -4.304   5.403   6.882
  543    HB2  MET  93           HB2      MET  93  -2.283   5.816   7.034
  544    HB3  MET  93           HB1      MET  93  -2.017   6.419   5.352
  545    HG2  MET  93           HG2      MET  93  -3.340   8.347   6.209
  546    HG3  MET  93           HG1      MET  93  -3.045   7.707   7.838
  547    HE1  MET  93           HE1      MET  93   0.978   7.662   7.668
  548    HE2  MET  93           HE2      MET  93  -0.167   6.394   7.188
  549    HE3  MET  93           HE3      MET  93  -0.397   7.263   8.690
  550    H    PHE  94           HN       PHE  94  -5.853   6.920   7.137
  551    HA   PHE  94           HA       PHE  94  -6.452   8.395   4.725
  552    HB2  PHE  94           HB2      PHE  94  -8.831   8.097   5.046
  553    HB3  PHE  94           HB1      PHE  94  -7.983   6.627   4.978
  554    HD1  PHE  94           HD1      PHE  94  -7.687   5.458   6.871
  555    HD2  PHE  94           HD2      PHE  94 -10.192   8.712   6.944
  556    HE1  PHE  94           HE1      PHE  94  -8.776   4.454   8.858
  557    HE2  PHE  94           HE2      PHE  94 -11.337   7.827   8.950
  558    HZ   PHE  94           HZ       PHE  94 -10.544   5.597   9.876
  559    H    TYR  95           HN       TYR  95  -7.117  10.254   4.905
  560    HA   TYR  95           HA       TYR  95  -6.418  11.511   7.428
  561    HB2  TYR  95           HB2      TYR  95  -5.237  12.477   5.508
  562    HB3  TYR  95           HB1      TYR  95  -6.752  12.854   4.711
  563    HD1  TYR  95           HD1      TYR  95  -5.386  13.360   8.075
  564    HD2  TYR  95           HD2      TYR  95  -7.204  15.115   4.714
  565    HE1  TYR  95           HE1      TYR  95  -5.440  15.474   9.273
  566    HE2  TYR  95           HE2      TYR  95  -7.249  17.299   5.859
  567    HH   TYR  95           HH       TYR  95  -7.264  18.108   8.185
  568    H    ASP  96           HN       ASP  96  -8.008  11.432   8.694
  569    HA   ASP  96           HA       ASP  96 -10.706  11.743   7.849
  570    HB2  ASP  96           HB2      ASP  96  -9.989  10.396   9.780
  571    HB3  ASP  96           HB1      ASP  96  -9.544  11.886  10.596
  572    H    THR  97           HN       THR  97 -11.337  13.851   7.407
  573    HA   THR  97           HA       THR  97  -9.649  16.012   8.179
  574    HB   THR  97           HB       THR  97 -11.295  17.345   6.908
  575    HG1  THR  97           HG1      THR  97 -13.047  16.353   6.102
  576   HG21  THR  97          HG21      THR  97  -9.306  16.402   5.886
  577   HG22  THR  97          HG22      THR  97 -10.635  16.263   4.720
  578   HG23  THR  97          HG23      THR  97 -10.127  14.875   5.700
  579    H    ASP  98           HN       ASP  98 -12.323  14.537   9.454
  580    HA   ASP  98           HA       ASP  98 -13.507  16.763  10.829
  581    HB2  ASP  98           HB2      ASP  98 -14.715  14.746  10.252
  582    HB3  ASP  98           HB1      ASP  98 -13.690  13.799  11.300
  583    H    ASP  99           HN       ASP  99 -11.459  14.093  11.703
  584    HA   ASP  99           HA       ASP  99 -10.832  15.055  14.407
  585    HB2  ASP  99           HB2      ASP  99 -10.897  12.592  13.672
  586    HB3  ASP  99           HB1      ASP  99  -9.479  12.945  12.760
  587    H    ALA 100           HN       ALA 100  -9.742  15.183  11.223
  588    HA   ALA 100           HA       ALA 100  -8.201  16.084  10.112
  589    HB1  ALA 100           HB1      ALA 100  -6.962  18.041  10.960
  590    HB2  ALA 100           HB2      ALA 100  -7.575  17.695  12.587
  591    HB3  ALA 100           HB3      ALA 100  -8.695  18.134  11.286
  592    H    SER 101           HN       SER 101  -7.643  13.583  11.005
  593    HA   SER 101           HA       SER 101  -4.772  13.818  11.384
  594    HB2  SER 101           HB2      SER 101  -6.101  13.425  13.474
  595    HB3  SER 101           HB1      SER 101  -6.284  11.777  12.917
  596    HG   SER 101           HG       SER 101  -4.170  13.008  14.026
  597    H    PHE 102           HN       PHE 102  -3.869  11.832  11.193
  598    HA   PHE 102           HA       PHE 102  -5.001  10.519   8.951
  599    HB2  PHE 102           HB2      PHE 102  -2.183  10.325  10.004
  600    HB3  PHE 102           HB1      PHE 102  -2.804   9.478   8.607
  601    HD1  PHE 102           HD1      PHE 102  -3.536  10.657   6.695
  602    HD2  PHE 102           HD2      PHE 102  -1.625  12.556   9.959
  603    HE1  PHE 102           HE1      PHE 102  -3.069  12.667   5.284
  604    HE2  PHE 102           HE2      PHE 102  -1.146  14.524   8.601
  605    HZ   PHE 102           HZ       PHE 102  -1.855  14.605   6.288
  606    H    LYS 103           HN       LYS 103  -5.040   8.101   8.869
  607    HA   LYS 103           HA       LYS 103  -5.273   6.911  11.523
  608    HB2  LYS 103           HB2      LYS 103  -7.602   7.117   9.621
  609    HB3  LYS 103           HB1      LYS 103  -7.630   6.417  11.228
  610    HG2  LYS 103           HG2      LYS 103  -6.970   8.786  12.030
  611    HG3  LYS 103           HG1      LYS 103  -7.294   9.252  10.414
  612    HD2  LYS 103           HD2      LYS 103  -9.476   8.928  10.593
  613    HD3  LYS 103           HD1      LYS 103  -9.441   7.868  11.923
  614    HE2  LYS 103           HE2      LYS 103  -8.592  10.749  12.033
  615    HE3  LYS 103           HE1      LYS 103 -10.085  10.045  12.648
  616    HZ1  LYS 103           HZ1      LYS 103  -8.904   8.880  14.300
  617    HZ2  LYS 103           HZ2      LYS 103  -8.357  10.488  14.341
  618    HZ3  LYS 103           HZ3      LYS 103  -7.398   9.285  13.669
  619    H    TRP 104           HN       TRP 104  -5.450   4.630  11.334
  620    HA   TRP 104           HA       TRP 104  -4.619   3.662   8.738
  621    HB2  TRP 104           HB2      TRP 104  -4.729   2.369  11.476
  622    HB3  TRP 104           HB1      TRP 104  -4.321   1.552   9.962
  623    HD1  TRP 104           HD1      TRP 104  -2.645   2.747  12.804
  624    HE1  TRP 104           HE1      TRP 104  -0.200   3.394  12.299
  625    HE3  TRP 104           HE3      TRP 104  -2.908   3.175   7.712
  626    HZ2  TRP 104           HZ2      TRP 104   1.379   4.062  10.069
  627    HZ3  TRP 104           HZ3      TRP 104  -0.941   3.843   6.499
  628    HH2  TRP 104           HH2      TRP 104   1.193   4.273   7.645
  629    H    PHE 105           HN       PHE 105  -5.842   2.560   7.457
  630    HA   PHE 105           HA       PHE 105  -8.553   2.178   7.950
  631    HB2  PHE 105           HB2      PHE 105  -6.679   1.178   5.846
  632    HB3  PHE 105           HB1      PHE 105  -8.254   0.411   5.988
  633    HD1  PHE 105           HD2      PHE 105 -10.188   2.224   6.357
  634    HD2  PHE 105           HD1      PHE 105  -6.556   2.942   4.168
  635    HE1  PHE 105           HE2      PHE 105 -11.222   4.052   5.086
  636    HE2  PHE 105           HE1      PHE 105  -7.534   4.612   3.036
  637    HZ   PHE 105           HZ       PHE 105  -9.900   5.253   3.421
  638    H    ASP 106           HN       ASP 106  -5.823   0.522   8.862
  639    HA   ASP 106           HA       ASP 106  -6.791  -2.134   9.309
  640    HB2  ASP 106           HB2      ASP 106  -4.434  -1.626   9.320
  641    HB3  ASP 106           HB1      ASP 106  -4.628  -0.547  10.691
  642    H    ASN 107           HN       ASN 107  -7.513   0.813  10.801
  643    HA   ASN 107           HA       ASN 107  -9.053   1.440  12.266
  644    HB2  ASN 107           HB2      ASN 107  -9.408  -1.473  13.050
  645    HB3  ASN 107           HB1      ASN 107 -10.367  -0.149  13.693
  646   HD21  ASN 107          HD21      ASN 107  -9.811  -2.251  11.025
  647   HD22  ASN 107          HD22      ASN 107 -11.171  -1.777  10.080
  648    H    SER 108           HN       SER 108  -6.245  -0.027  12.966
  649    HA   SER 108           HA       SER 108  -6.362   0.410  15.803
  650    HB2  SER 108           HB2      SER 108  -4.027  -0.448  14.107
  651    HB3  SER 108           HB1      SER 108  -4.196  -0.622  15.857
  652    HG   SER 108           HG       SER 108  -5.078  -2.174  13.844
  653    H    ASN 109           HN       ASN 109  -4.495   1.554  16.815
  654    HA   ASN 109           HA       ASN 109  -4.493   4.298  16.157
  655    HB2  ASN 109           HB2      ASN 109  -4.071   3.412  18.522
  656    HB3  ASN 109           HB1      ASN 109  -2.547   2.816  17.920
  657   HD21  ASN 109          HD21      ASN 109  -1.619   3.969  19.549
  658   HD22  ASN 109          HD22      ASN 109  -1.483   5.679  19.404
  659    H    MET 110           HN       MET 110  -3.016   5.540  15.131
  660    HA   MET 110           HA       MET 110  -0.895   4.289  13.699
  661    HB2  MET 110           HB2      MET 110  -2.124   6.215  12.839
  662    HB3  MET 110           HB1      MET 110  -1.480   7.213  14.131
  663    HG2  MET 110           HG2      MET 110   0.727   7.060  13.264
  664    HG3  MET 110           HG1      MET 110   0.255   5.803  12.118
  665    HE1  MET 110           HE1      MET 110  -2.113   7.751   9.728
  666    HE2  MET 110           HE2      MET 110  -2.672   7.107  11.247
  667    HE3  MET 110           HE3      MET 110  -1.546   6.167  10.255
  668    H    THR 111           HN       THR 111   0.396   3.349  15.145
  669    HA   THR 111           HA       THR 111   1.370   4.819  17.373
  670    HB   THR 111           HB       THR 111   2.478   2.618  17.882
  671    HG1  THR 111           HG1      THR 111   2.409   1.111  16.454
  672   HG21  THR 111          HG21      THR 111  -0.537   2.582  17.383
  673   HG22  THR 111          HG22      THR 111   0.252   3.212  18.805
  674   HG23  THR 111          HG23      THR 111   0.346   1.493  18.447
  675    H    PHE 112           HN       PHE 112   2.590   3.689  14.250
  676    HA   PHE 112           HA       PHE 112   5.217   4.906  14.876
  677    HB2  PHE 112           HB2      PHE 112   5.107   2.330  14.457
  678    HB3  PHE 112           HB1      PHE 112   4.739   2.757  12.850
  679    HD1  PHE 112           HD2      PHE 112   7.360   3.450  15.397
  680    HD2  PHE 112           HD1      PHE 112   6.236   3.176  11.383
  681    HE1  PHE 112           HE2      PHE 112   9.724   3.768  14.763
  682    HE2  PHE 112           HE1      PHE 112   8.632   3.478  10.663
  683    HZ   PHE 112           HZ       PHE 112  10.358   3.787  12.387
  684    H    ASP 113           HN       ASP 113   6.276   5.971  13.140
  685    HA   ASP 113           HA       ASP 113   4.868   6.454  10.700
  686    HB2  ASP 113           HB2      ASP 113   4.600   8.832  10.968
  687    HB3  ASP 113           HB1      ASP 113   3.696   8.021  12.238
  688    H    LYS 114           HN       LYS 114   5.908   7.162   9.149
  689    HA   LYS 114           HA       LYS 114   8.688   7.930   9.614
  690    HB2  LYS 114           HB2      LYS 114   7.525   6.304   7.348
  691    HB3  LYS 114           HB1      LYS 114   9.161   6.926   7.447
  692    HG2  LYS 114           HG2      LYS 114   8.064   5.032   9.479
  693    HG3  LYS 114           HG1      LYS 114   8.830   4.560   7.950
  694    HD2  LYS 114           HD2      LYS 114  10.166   6.294   9.987
  695    HD3  LYS 114           HD1      LYS 114  10.381   4.548   9.873
  696    HE2  LYS 114           HE2      LYS 114  11.089   6.569   7.709
  697    HE3  LYS 114           HE1      LYS 114  12.173   5.565   8.705
  698    HZ1  LYS 114           HZ1      LYS 114  11.058   3.687   7.581
  699    HZ2  LYS 114           HZ2      LYS 114  12.098   4.637   6.703
  700    HZ3  LYS 114           HZ3      LYS 114  10.425   4.861   6.518
  701    H    TRP 115           HN       TRP 115   7.392  10.031   9.620
  702    HA   TRP 115           HA       TRP 115   6.220  10.809   7.106
  703    HB2  TRP 115           HB2      TRP 115   6.538  12.223   9.718
  704    HB3  TRP 115           HB1      TRP 115   5.884  13.037   8.315
  705    HD1  TRP 115           HD1      TRP 115   4.873  11.257  11.149
  706    HE1  TRP 115           HE1      TRP 115   2.359  10.508  10.935
  707    HE3  TRP 115           HE3      TRP 115   4.343  12.023   6.266
  708    HZ2  TRP 115           HZ2      TRP 115   0.465  10.304   8.841
  709    HZ3  TRP 115           HZ3      TRP 115   2.255  11.571   5.185
  710    HH2  TRP 115           HH2      TRP 115   0.329  10.719   6.406
  711    H    THR 116           HN       THR 116   6.818  12.591   5.898
  712    HA   THR 116           HA       THR 116   9.502  13.538   6.380
  713    HB   THR 116           HB       THR 116   9.472  11.951   4.476
  714    HG1  THR 116           HG1      THR 116  10.942  13.048   3.734
  715   HG21  THR 116          HG21      THR 116   8.439  12.623   2.330
  716   HG22  THR 116          HG22      THR 116   7.694  14.005   3.131
  717   HG23  THR 116          HG23      THR 116   7.215  12.367   3.573
  718    H    ASP 117           HN       ASP 117   9.728  15.675   5.227
  719    HA   ASP 117           HA       ASP 117   7.355  17.248   5.757
  720    HB2  ASP 117           HB2      ASP 117  10.173  17.995   5.037
  721    HB3  ASP 117           HB1      ASP 117   8.886  19.197   4.978
  722    H    GLN 118           HN       GLN 118   5.740  17.552   4.271
  723    HA   GLN 118           HA       GLN 118   6.429  17.396   1.527
  724    HB2  GLN 118           HB2      GLN 118   5.013  15.518   2.462
  725    HB3  GLN 118           HB1      GLN 118   4.040  16.840   3.145
  726    HG2  GLN 118           HG2      GLN 118   3.550  17.652   1.309
  727    HG3  GLN 118           HG1      GLN 118   4.348  16.480   0.223
  728   HE21  GLN 118          HE21      GLN 118   1.483  17.236   2.016
  729   HE22  GLN 118          HE22      GLN 118   0.730  15.663   1.802
  730    H    ASP 119           HN       ASP 119   4.970  18.772   0.382
  731    HA   ASP 119           HA       ASP 119   4.501  21.338   1.152
  732    HB2  ASP 119           HB2      ASP 119   4.495  20.864  -0.924
  733    HB3  ASP 119           HB1      ASP 119   3.345  19.459  -0.772
  734    H    ASP 120           HN       ASP 120   2.911  22.286   1.742
  735    HA   ASP 120           HA       ASP 120   1.137  23.054   2.994
  736    HB2  ASP 120           HB2      ASP 120  -0.108  20.987   1.532
  737    HB3  ASP 120           HB1      ASP 120  -0.436  20.640   3.184
  738    H    ASP 121           HN       ASP 121  -0.406  22.326   4.851
  739    HA   ASP 121           HA       ASP 121   0.934  20.770   6.915
  740    HB2  ASP 121           HB2      ASP 121   0.485  23.730   7.106
  741    HB3  ASP 121           HB1      ASP 121   0.660  22.726   8.533
  742    H    GLU 122           HN       GLU 122  -1.719  22.848   5.816
  743    HA   GLU 122           HA       GLU 122  -3.376  22.058   8.023
  744    HB2  GLU 122           HB2      GLU 122  -3.928  23.930   5.723
  745    HB3  GLU 122           HB1      GLU 122  -4.869  23.729   7.188
  746    HG2  GLU 122           HG2      GLU 122  -2.110  24.872   6.954
  747    HG3  GLU 122           HG1      GLU 122  -3.592  25.759   7.302
  748    H    ASP 123           HN       ASP 123  -3.995  22.493   4.543
  749    HA   ASP 123           HA       ASP 123  -5.501  20.029   4.699
  750    HB2  ASP 123           HB2      ASP 123  -6.761  20.794   2.751
  751    HB3  ASP 123           HB1      ASP 123  -7.082  21.761   4.187
  752    H    LEU 124           HN       LEU 124  -4.476  18.498   4.048
  753    HA   LEU 124           HA       LEU 124  -3.017  18.772   1.575
  754    HB2  LEU 124           HB2      LEU 124  -1.912  16.550   2.501
  755    HB3  LEU 124           HB1      LEU 124  -1.287  18.127   2.929
  756    HG   LEU 124           HG       LEU 124  -1.344  16.466   4.743
  757   HD11  LEU 124          HD11      LEU 124  -2.231  17.895   6.505
  758   HD12  LEU 124          HD12      LEU 124  -2.978  18.913   5.278
  759   HD13  LEU 124          HD13      LEU 124  -1.226  18.762   5.348
  760   HD21  LEU 124          HD21      LEU 124  -4.297  16.661   4.358
  761   HD22  LEU 124          HD22      LEU 124  -3.589  16.108   5.877
  762   HD23  LEU 124          HD23      LEU 124  -3.286  15.214   4.383
  763    H    VAL 125           HN       VAL 125  -5.684  18.449   1.633
  764    HA   VAL 125           HA       VAL 125  -6.430  15.691   1.478
  765    HB   VAL 125           HB       VAL 125  -8.009  18.211   0.824
  766   HG11  VAL 125          HG11      VAL 125  -9.146  15.491   1.442
  767   HG12  VAL 125          HG12      VAL 125  -8.980  16.162  -0.176
  768   HG13  VAL 125          HG13      VAL 125 -10.034  16.951   1.000
  769   HG21  VAL 125          HG21      VAL 125  -7.257  18.214   3.120
  770   HG22  VAL 125          HG22      VAL 125  -7.913  16.595   3.355
  771   HG23  VAL 125          HG23      VAL 125  -9.002  17.947   3.057
  772    H    ASP 126           HN       ASP 126  -5.081  17.935  -0.545
  773    HA   ASP 126           HA       ASP 126  -6.190  17.093  -3.079
  774    HB2  ASP 126           HB2      ASP 126  -5.367  19.389  -2.733
  775    HB3  ASP 126           HB1      ASP 126  -3.754  18.754  -2.452
  776    H    THR 127           HN       THR 127  -3.928  15.896  -1.020
  777    HA   THR 127           HA       THR 127  -2.787  14.155  -3.046
  778    HB   THR 127           HB       THR 127  -1.034  15.681  -2.528
  779    HG1  THR 127           HG1      THR 127  -0.235  13.778  -0.678
  780   HG21  THR 127          HG21      THR 127  -1.722  15.238   0.346
  781   HG22  THR 127          HG22      THR 127  -1.952  16.725  -0.551
  782   HG23  THR 127          HG23      THR 127  -0.303  16.136  -0.181
  783    H    CYS 128           HN       CYS 128  -1.675  12.296  -1.635
  784    HA   CYS 128           HA       CYS 128  -3.581  11.564   0.456
  785    HB2  CYS 128           HB2      CYS 128  -2.525   9.316  -1.142
  786    HB3  CYS 128           HB1      CYS 128  -4.059   9.588  -0.413
  787    H    ALA 129           HN       ALA 129  -2.383   9.095   1.174
  788    HA   ALA 129           HA       ALA 129   0.264  10.059   1.959
  789    HB1  ALA 129           HB1      ALA 129   0.014   8.604   3.879
  790    HB2  ALA 129           HB2      ALA 129  -1.484   7.965   3.273
  791    HB3  ALA 129           HB3      ALA 129  -1.401   9.658   3.800
  792    H    PHE 130           HN       PHE 130   1.815   9.025   0.858
  793    HA   PHE 130           HA       PHE 130   1.301   6.226   0.363
  794    HB2  PHE 130           HB2      PHE 130   2.915   7.964  -1.534
  795    HB3  PHE 130           HB1      PHE 130   2.683   6.303  -1.534
  796    HD1  PHE 130           HD1      PHE 130  -0.182   8.679  -1.202
  797    HD2  PHE 130           HD2      PHE 130   1.869   5.834  -3.601
  798    HE1  PHE 130           HE1      PHE 130  -2.032   8.689  -2.860
  799    HE2  PHE 130           HE2      PHE 130   0.029   5.859  -5.219
  800    HZ   PHE 130           HZ       PHE 130  -1.919   7.301  -4.837
  801    H    LEU 131           HN       LEU 131   2.750   5.113   1.147
  802    HA   LEU 131           HA       LEU 131   5.211   6.102   2.227
  803    HB2  LEU 131           HB2      LEU 131   4.277   4.293   3.235
  804    HB3  LEU 131           HB1      LEU 131   4.017   3.442   1.723
  805    HG   LEU 131           HG       LEU 131   6.467   3.231   1.577
  806   HD11  LEU 131          HD11      LEU 131   7.702   3.405   3.639
  807   HD12  LEU 131          HD12      LEU 131   6.346   4.339   4.293
  808   HD13  LEU 131          HD13      LEU 131   7.241   4.937   2.890
  809   HD21  LEU 131          HD21      LEU 131   6.579   1.397   3.129
  810   HD22  LEU 131          HD22      LEU 131   4.984   1.462   2.342
  811   HD23  LEU 131          HD23      LEU 131   5.181   2.053   3.993
  812    H    HIS 132           HN       HIS 132   6.999   6.484   1.226
  813    HA   HIS 132           HA       HIS 132   7.378   6.009  -1.589
  814    HB2  HIS 132           HB2      HIS 132   8.322   7.960  -0.186
  815    HB3  HIS 132           HB1      HIS 132   9.528   6.821   0.351
  816    HD1  HIS 132           HD1      HIS 132  11.083   8.717  -0.812
  817    HD2  HIS 132           HD2      HIS 132   8.947   6.238  -3.307
  818    HE1  HIS 132           HE1      HIS 132  12.125   9.002  -3.042
  819    HE2  HIS 132           HE2      HIS 132  10.447   7.931  -4.575
  820    H    ILE 133           HN       ILE 133   7.971   4.288  -2.472
  821    HA   ILE 133           HA       ILE 133   8.898   1.995  -1.232
  822    HB   ILE 133           HB       ILE 133   8.471   2.979  -3.963
  823   HG12  ILE 133          HG12      ILE 133   6.601   1.806  -3.052
  824   HG13  ILE 133          HG11      ILE 133   7.333   0.763  -4.209
  825   HG21  ILE 133          HG21      ILE 133  10.362   0.731  -3.577
  826   HG22  ILE 133          HG22      ILE 133  10.549   2.162  -4.583
  827   HG23  ILE 133          HG23      ILE 133   9.432   0.880  -5.042
  828   HD11  ILE 133          HD11      ILE 133   7.558   0.675  -1.262
  829   HD12  ILE 133          HD12      ILE 133   8.493  -0.368  -2.355
  830   HD13  ILE 133          HD13      ILE 133   6.724  -0.471  -2.315
  831    H    LYS 134           HN       LYS 134  10.520   4.676  -2.499
  832    HA   LYS 134           HA       LYS 134  13.046   3.277  -2.560
  833    HB2  LYS 134           HB2      LYS 134  12.509   6.178  -2.998
  834    HB3  LYS 134           HB1      LYS 134  14.082   5.410  -3.169
  835    HG2  LYS 134           HG2      LYS 134  13.091   3.960  -4.981
  836    HG3  LYS 134           HG1      LYS 134  11.606   4.888  -4.787
  837    HD2  LYS 134           HD2      LYS 134  12.804   5.740  -6.677
  838    HD3  LYS 134           HD1      LYS 134  12.816   6.930  -5.372
  839    HE2  LYS 134           HE2      LYS 134  14.934   6.121  -4.683
  840    HE3  LYS 134           HE1      LYS 134  15.032   5.026  -6.057
  841    HZ1  LYS 134           HZ1      LYS 134  16.237   7.046  -6.542
  842    HZ2  LYS 134           HZ2      LYS 134  14.916   7.996  -6.165
  843    HZ3  LYS 134           HZ3      LYS 134  14.868   6.999  -7.534
  844    H    THR 135           HN       THR 135  11.672   5.836  -0.499
  845    HA   THR 135           HA       THR 135  14.049   5.406   1.197
  846    HB   THR 135           HB       THR 135  13.614   7.703   2.106
  847    HG1  THR 135           HG1      THR 135  12.177   8.935   1.216
  848   HG21  THR 135          HG21      THR 135  14.609   8.829   0.157
  849   HG22  THR 135          HG22      THR 135  14.171   7.450  -0.850
  850   HG23  THR 135          HG23      THR 135  15.360   7.256   0.438
  851    H    GLY 136           HN       GLY 136  10.618   5.264   1.236
  852    HA2  GLY 136           HA2      GLY 136   9.256   4.389   2.878
  853    HA3  GLY 136           HA1      GLY 136  10.677   4.216   3.909
  854    H    GLU 137           HN       GLU 137   9.279   6.919   2.296
  855    HA   GLU 137           HA       GLU 137   8.924   8.271   4.865
  856    HB2  GLU 137           HB2      GLU 137   9.726   9.245   2.179
  857    HB3  GLU 137           HB1      GLU 137   9.098  10.367   3.383
  858    HG2  GLU 137           HG2      GLU 137  10.888   9.862   4.855
  859    HG3  GLU 137           HG1      GLU 137  11.514   8.598   3.784
  860    H    TRP 138           HN       TRP 138   6.950   9.293   5.140
  861    HA   TRP 138           HA       TRP 138   4.944   8.447   3.203
  862    HB2  TRP 138           HB2      TRP 138   4.532   9.434   6.003
  863    HB3  TRP 138           HB1      TRP 138   3.327   8.706   4.946
  864    HD1  TRP 138           HD1      TRP 138   5.925   6.482   4.184
  865    HE1  TRP 138           HE1      TRP 138   6.138   4.561   5.856
  866    HE3  TRP 138           HE3      TRP 138   3.092   8.300   7.922
  867    HZ2  TRP 138           HZ2      TRP 138   5.214   3.840   8.218
  868    HZ3  TRP 138           HZ3      TRP 138   2.767   6.794   9.980
  869    HH2  TRP 138           HH2      TRP 138   3.798   4.647  10.073
  870    H    LYS 139           HN       LYS 139   3.293   9.773   2.618
  871    HA   LYS 139           HA       LYS 139   3.788  12.638   2.595
  872    HB2  LYS 139           HB2      LYS 139   2.824  10.670   0.555
  873    HB3  LYS 139           HB1      LYS 139   2.329  12.360   0.465
  874    HG2  LYS 139           HG2      LYS 139   4.510  13.064   0.488
  875    HG3  LYS 139           HG1      LYS 139   5.136  11.443   0.693
  876    HD2  LYS 139           HD2      LYS 139   3.588  12.491  -1.704
  877    HD3  LYS 139           HD1      LYS 139   5.340  12.344  -1.656
  878    HE2  LYS 139           HE2      LYS 139   5.031   9.901  -1.281
  879    HE3  LYS 139           HE1      LYS 139   3.305  10.140  -1.545
  880    HZ1  LYS 139           HZ1      LYS 139   5.360  10.945  -3.518
  881    HZ2  LYS 139           HZ2      LYS 139   3.694  10.839  -3.781
  882    HZ3  LYS 139           HZ3      LYS 139   4.623   9.452  -3.579
  883    H    LYS 140           HN       LYS 140   2.053  13.812   2.689
  884    HA   LYS 140           HA       LYS 140   0.115  12.595   4.536
  885    HB2  LYS 140           HB2      LYS 140   0.754  15.469   4.029
  886    HB3  LYS 140           HB1      LYS 140  -0.484  14.873   5.119
  887    HG2  LYS 140           HG2      LYS 140   1.238  13.707   6.397
  888    HG3  LYS 140           HG1      LYS 140   2.458  14.424   5.338
  889    HD2  LYS 140           HD2      LYS 140   1.623  16.612   5.903
  890    HD3  LYS 140           HD1      LYS 140   0.480  15.901   7.027
  891    HE2  LYS 140           HE2      LYS 140   2.239  14.918   8.338
  892    HE3  LYS 140           HE1      LYS 140   3.455  15.520   7.214
  893    HZ1  LYS 140           HZ1      LYS 140   2.916  17.768   7.851
  894    HZ2  LYS 140           HZ2      LYS 140   3.245  16.868   9.243
  895    HZ3  LYS 140           HZ3      LYS 140   1.661  17.240   8.841
  896    H    GLY 141           HN       GLY 141  -1.969  12.321   4.017
  897    HA2  GLY 141           HA2      GLY 141  -3.660  14.090   2.918
  898    HA3  GLY 141           HA1      GLY 141  -2.921  13.318   1.536
  899    H    ASN 142           HN       ASN 142  -5.074  12.806   1.169
  900    HA   ASN 142           HA       ASN 142  -5.744  10.149   2.104
  901    HB2  ASN 142           HB2      ASN 142  -8.226  10.842   2.078
  902    HB3  ASN 142           HB1      ASN 142  -7.308  11.321   3.495
  903   HD21  ASN 142          HD21      ASN 142  -7.095  13.057   0.415
  904   HD22  ASN 142          HD22      ASN 142  -7.973  14.430   0.940
  905    H    CYS 143           HN       CYS 143  -6.601   8.906   0.369
  906    HA   CYS 143           HA       CYS 143  -6.132  10.305  -2.050
  907    HB2  CYS 143           HB2      CYS 143  -5.769   7.614  -1.343
  908    HB3  CYS 143           HB1      CYS 143  -6.777   7.691  -2.794
  909    H    GLU 144           HN       GLU 144  -7.830  11.527  -1.702
  910    HA   GLU 144           HA       GLU 144 -10.401  10.506  -2.588
  911    HB2  GLU 144           HB2      GLU 144  -9.533  13.308  -1.839
  912    HB3  GLU 144           HB1      GLU 144 -11.186  12.802  -2.145
  913    HG2  GLU 144           HG2      GLU 144  -9.461  11.743   0.107
  914    HG3  GLU 144           HG1      GLU 144 -10.690  13.006   0.282
  915    H    VAL 145           HN       VAL 145  -8.149  10.406  -4.229
  916    HA   VAL 145           HA       VAL 145  -8.956  12.043  -6.520
  917    HB   VAL 145           HB       VAL 145  -6.660  12.096  -7.323
  918   HG11  VAL 145          HG11      VAL 145  -6.870  12.922  -4.474
  919   HG12  VAL 145          HG12      VAL 145  -7.326  13.865  -5.904
  920   HG13  VAL 145          HG13      VAL 145  -5.617  13.494  -5.593
  921   HG21  VAL 145          HG21      VAL 145  -5.895  10.574  -4.818
  922   HG22  VAL 145          HG22      VAL 145  -4.766  11.249  -5.991
  923   HG23  VAL 145          HG23      VAL 145  -5.852   9.947  -6.467
  924    H    SER 146           HN       SER 146  -8.546  10.956  -8.561
  925    HA   SER 146           HA       SER 146  -9.384   8.211  -8.318
  926    HB2  SER 146           HB2      SER 146  -9.063   9.897 -10.735
  927    HB3  SER 146           HB1      SER 146  -9.924   8.348 -10.605
  928    HG   SER 146           HG       SER 146 -11.006   9.662  -8.747
  929    H    SER 147           HN       SER 147  -6.486   9.649  -8.541
  930    HA   SER 147           HA       SER 147  -5.233   8.091 -10.547
  931    HB2  SER 147           HB2      SER 147  -4.054   9.826  -8.431
  932    HB3  SER 147           HB1      SER 147  -3.221   9.274  -9.887
  933    HG   SER 147           HG       SER 147  -4.249  10.695 -11.038
  934    H    VAL 148           HN       VAL 148  -6.359   6.556  -8.207
  935    HA   VAL 148           HA       VAL 148  -3.814   5.343  -7.387
  936    HB   VAL 148           HB       VAL 148  -6.330   4.467  -5.976
  937   HG11  VAL 148          HG11      VAL 148  -4.343   3.182  -5.864
  938   HG12  VAL 148          HG12      VAL 148  -4.875   3.816  -4.328
  939   HG13  VAL 148          HG13      VAL 148  -3.489   4.555  -5.158
  940   HG21  VAL 148          HG21      VAL 148  -5.937   6.158  -4.300
  941   HG22  VAL 148          HG22      VAL 148  -6.275   6.935  -5.846
  942   HG23  VAL 148          HG23      VAL 148  -4.617   6.835  -5.252
  943    H    GLU 149           HN       GLU 149  -3.259   3.590  -8.081
  944    HA   GLU 149           HA       GLU 149  -5.152   1.943  -9.563
  945    HB2  GLU 149           HB2      GLU 149  -2.370   2.668 -10.426
  946    HB3  GLU 149           HB1      GLU 149  -3.441   1.464 -11.166
  947    HG2  GLU 149           HG2      GLU 149  -4.985   3.099 -11.848
  948    HG3  GLU 149           HG1      GLU 149  -4.279   4.334 -10.826
  949    H    GLY 150           HN       GLY 150  -3.553   1.898  -6.905
  950    HA2  GLY 150           HA2      GLY 150  -3.533  -0.877  -6.685
  951    HA3  GLY 150           HA1      GLY 150  -1.890  -0.320  -7.011
  952    H    THR 151           HN       THR 151  -3.487  -1.438  -4.648
  953    HA   THR 151           HA       THR 151  -2.267   0.365  -2.736
  954    HB   THR 151           HB       THR 151  -4.570   0.969  -2.560
  955    HG1  THR 151           HG1      THR 151  -4.430  -0.928  -0.522
  956   HG21  THR 151          HG21      THR 151  -6.370  -0.664  -2.212
  957   HG22  THR 151          HG22      THR 151  -5.210  -1.980  -2.392
  958   HG23  THR 151          HG23      THR 151  -5.570  -0.929  -3.762
  959    H    LEU 152           HN       LEU 152  -1.635  -0.637  -0.815
  960    HA   LEU 152           HA       LEU 152  -1.246  -3.510  -1.104
  961    HB2  LEU 152           HB2      LEU 152   0.721  -2.036  -0.476
  962    HB3  LEU 152           HB1      LEU 152  -0.115  -1.715   1.017
  963    HG   LEU 152           HG       LEU 152  -0.374  -4.193   1.260
  964   HD11  LEU 152          HD11      LEU 152   2.027  -4.232  -0.509
  965   HD12  LEU 152          HD12      LEU 152   0.431  -4.957  -0.829
  966   HD13  LEU 152          HD13      LEU 152   1.436  -5.558   0.492
  967   HD21  LEU 152          HD21      LEU 152   1.961  -2.585   1.823
  968   HD22  LEU 152          HD22      LEU 152   2.014  -4.338   2.073
  969   HD23  LEU 152          HD23      LEU 152   0.759  -3.391   2.883
  970    H    CYS 153           HN       CYS 153  -2.153  -4.859   0.177
  971    HA   CYS 153           HA       CYS 153  -4.119  -3.767   2.032
  972    HB2  CYS 153           HB2      CYS 153  -4.013  -6.441   0.777
  973    HB3  CYS 153           HB1      CYS 153  -5.379  -5.688   1.579
  974    H    LYS 154           HN       LYS 154  -4.214  -4.542   3.983
  975    HA   LYS 154           HA       LYS 154  -2.297  -6.557   4.806
  976    HB2  LYS 154           HB2      LYS 154  -1.430  -4.501   5.583
  977    HB3  LYS 154           HB1      LYS 154  -3.007  -3.935   6.152
  978    HG2  LYS 154           HG2      LYS 154  -2.916  -5.770   7.837
  979    HG3  LYS 154           HG1      LYS 154  -1.276  -6.117   7.300
  980    HD2  LYS 154           HD2      LYS 154  -0.586  -3.843   7.911
  981    HD3  LYS 154           HD1      LYS 154  -2.245  -3.479   8.389
  982    HE2  LYS 154           HE2      LYS 154  -0.559  -5.638   9.569
  983    HE3  LYS 154           HE1      LYS 154  -0.744  -4.028  10.300
  984    HZ1  LYS 154           HZ1      LYS 154  -2.195  -5.589  11.352
  985    HZ2  LYS 154           HZ2      LYS 154  -2.838  -6.123   9.910
  986    HZ3  LYS 154           HZ3      LYS 154  -3.197  -4.575  10.462
  987    H    THR 155           HN       THR 155  -3.201  -8.043   6.124
  988    HA   THR 155           HA       THR 155  -5.875  -7.594   7.181
  989    HB   THR 155           HB       THR 155  -6.127  -8.820   5.008
  990    HG1  THR 155           HG1      THR 155  -7.734  -9.724   6.017
  991   HG21  THR 155          HG21      THR 155  -3.959  -9.924   4.985
  992   HG22  THR 155          HG22      THR 155  -5.248 -11.125   4.796
  993   HG23  THR 155          HG23      THR 155  -4.426 -10.909   6.355
  994    H    ALA 156           HN       ALA 156  -6.017  -8.454   9.202
  995    HA   ALA 156           HA       ALA 156  -3.602  -9.473  10.386
  996    HB1  ALA 156           HB1      ALA 156  -5.126  -8.034  11.694
  997    HB2  ALA 156           HB2      ALA 156  -4.947  -9.658  12.405
  998    HB3  ALA 156           HB3      ALA 156  -6.382  -9.271  11.482
  999    H    ILE 157           HN       ILE 157  -3.141 -11.623  10.774
 1000    HA   ILE 157           HA       ILE 157  -5.197 -13.334   9.878
 1001    HB   ILE 157           HB       ILE 157  -3.508 -15.136  10.153
 1002   HG12  ILE 157          HG12      ILE 157  -1.621 -12.869  10.153
 1003   HG13  ILE 157          HG11      ILE 157  -2.059 -13.678  11.646
 1004   HG21  ILE 157          HG21      ILE 157  -4.125 -14.224   8.020
 1005   HG22  ILE 157          HG22      ILE 157  -2.378 -14.511   8.041
 1006   HG23  ILE 157          HG23      ILE 157  -3.012 -12.871   8.234
 1007   HD11  ILE 157          HD11      ILE 157  -1.429 -15.718  10.684
 1008   HD12  ILE 157          HD12      ILE 157  -0.042 -14.560  10.761
 1009   HD13  ILE 157          HD13      ILE 157  -0.930 -14.876   9.218
 1010    HA   PRO 158           HA       PRO 158  -6.216 -13.864  14.152
 1011    HB2  PRO 158           HB2      PRO 158  -8.504 -15.309  13.523
 1012    HB3  PRO 158           HB1      PRO 158  -8.375 -13.541  13.643
 1013    HG2  PRO 158           HG2      PRO 158  -8.729 -15.150  11.292
 1014    HG3  PRO 158           HG1      PRO 158  -8.865 -13.398  11.487
 1015    HD2  PRO 158           HD2      PRO 158  -6.640 -14.839  10.307
 1016    HD3  PRO 158           HD1      PRO 158  -6.817 -13.135  10.504
 1017    H    TYR 159           HN       TYR 159  -5.048 -15.841  12.141
 1018    HA   TYR 159           HA       TYR 159  -5.511 -18.424  13.308
 1019    HB2  TYR 159           HB2      TYR 159  -3.433 -17.475  11.347
 1020    HB3  TYR 159           HB1      TYR 159  -3.547 -19.173  11.856
 1021    HD1  TYR 159           HD1      TYR 159  -5.201 -16.382  10.319
 1022    HD2  TYR 159           HD2      TYR 159  -5.054 -20.560  10.668
 1023    HE1  TYR 159           HE1      TYR 159  -6.688 -16.535   8.437
 1024    HE2  TYR 159           HE2      TYR 159  -6.602 -20.801   8.762
 1025    HH   TYR 159           HH       TYR 159  -7.314 -18.135   6.744
 1026    H    LYS 160           HN       LYS 160  -3.247 -15.837  13.581
 1027    HA   LYS 160           HA       LYS 160  -1.867 -17.192  15.770
 1028    HB2  LYS 160           HB2      LYS 160  -0.689 -15.244  13.775
 1029    HB3  LYS 160           HB1      LYS 160   0.177 -15.935  15.146
 1030    HG2  LYS 160           HG2      LYS 160  -0.077 -18.126  14.146
 1031    HG3  LYS 160           HG1      LYS 160  -0.924 -17.416  12.769
 1032    HD2  LYS 160           HD2      LYS 160   1.086 -16.048  12.297
 1033    HD3  LYS 160           HD1      LYS 160   1.918 -16.861  13.621
 1034    HE2  LYS 160           HE2      LYS 160   0.823 -18.169  11.132
 1035    HE3  LYS 160           HE1      LYS 160   2.519 -17.842  11.476
 1036    HZ1  LYS 160           HZ1      LYS 160   0.753 -19.704  12.973
 1037    HZ2  LYS 160           HZ2      LYS 160   2.321 -19.338  13.409
 1038    HZ3  LYS 160           HZ3      LYS 160   2.025 -20.121  11.954
 1039    H    ARG 161           HN       ARG 161  -3.427 -16.257  17.116
 1040    HA   ARG 161           HA       ARG 161  -3.029 -13.426  17.606
 1041    HB2  ARG 161           HB2      ARG 161  -4.993 -13.706  16.110
 1042    HB3  ARG 161           HB1      ARG 161  -5.736 -14.732  17.322
 1043    HG2  ARG 161           HG2      ARG 161  -5.777 -12.861  18.884
 1044    HG3  ARG 161           HG1      ARG 161  -5.022 -11.830  17.665
 1045    HD2  ARG 161           HD2      ARG 161  -6.937 -12.307  16.162
 1046    HD3  ARG 161           HD1      ARG 161  -7.696 -13.192  17.484
 1047    HE   ARG 161           HE       ARG 161  -7.034 -10.679  18.418
 1048   HH11  ARG 161          HH11      ARG 161  -9.328 -12.190  16.173
 1049   HH12  ARG 161          HH12      ARG 161 -10.404 -10.875  16.177
 1050   HH21  ARG 161          HH21      ARG 161  -8.535  -8.874  18.433
 1051   HH22  ARG 161          HH22      ARG 161  -9.935  -8.930  17.495
  Start of MODEL    3
    1    H1   MET  22           HT1      MET  22  -5.289 -21.705   4.479
    2    H2   MET  22           HT2      MET  22  -4.727 -22.392   5.913
    3    H3   MET  22           HT3      MET  22  -4.173 -22.988   4.439
    4    HA   MET  22           HA       MET  22  -2.561 -21.599   5.547
    5    HB2  MET  22           HB2      MET  22  -3.820 -20.339   3.103
    6    HB3  MET  22           HB1      MET  22  -2.260 -19.865   3.742
    7    HG2  MET  22           HG2      MET  22  -1.384 -22.088   3.275
    8    HG3  MET  22           HG1      MET  22  -2.960 -22.594   2.679
    9    HE1  MET  22           HE1      MET  22  -4.094 -21.647   0.470
   10    HE2  MET  22           HE2      MET  22  -3.361 -20.425  -0.562
   11    HE3  MET  22           HE3      MET  22  -3.933 -19.985   1.045
   12    H    ASP  23           HN       ASP  23  -2.040 -19.412   6.254
   13    HA   ASP  23           HA       ASP  23  -4.121 -18.167   7.777
   14    HB2  ASP  23           HB2      ASP  23  -1.378 -17.078   7.037
   15    HB3  ASP  23           HB1      ASP  23  -2.434 -16.446   8.282
   16    H    CYS  24           HN       CYS  24  -2.404 -17.616   4.915
   17    HA   CYS  24           HA       CYS  24  -3.836 -15.205   4.218
   18    HB2  CYS  24           HB2      CYS  24  -1.490 -16.617   2.977
   19    HB3  CYS  24           HB1      CYS  24  -2.180 -15.085   2.457
   20    HA   PRO  25           HA       PRO  25  -6.843 -17.137   1.479
   21    HB2  PRO  25           HB2      PRO  25  -5.913 -14.824  -0.171
   22    HB3  PRO  25           HB1      PRO  25  -7.573 -15.383   0.088
   23    HG2  PRO  25           HG2      PRO  25  -6.768 -13.337   1.435
   24    HG3  PRO  25           HG1      PRO  25  -7.607 -14.638   2.309
   25    HD2  PRO  25           HD2      PRO  25  -4.709 -13.965   2.294
   26    HD3  PRO  25           HD1      PRO  25  -5.731 -14.584   3.610
   27    H    SER  26           HN       SER  26  -3.840 -15.962  -0.093
   28    HA   SER  26           HA       SER  26  -3.622 -18.448  -1.566
   29    HB2  SER  26           HB2      SER  26  -3.790 -15.766  -2.995
   30    HB3  SER  26           HB1      SER  26  -3.440 -17.320  -3.752
   31    HG   SER  26           HG       SER  26  -5.571 -17.806  -2.497
   32    H    SER  27           HN       SER  27  -1.473 -18.202  -3.039
   33    HA   SER  27           HA       SER  27   0.574 -17.624  -1.162
   34    HB2  SER  27           HB2      SER  27   0.750 -18.480  -4.019
   35    HB3  SER  27           HB1      SER  27   2.045 -18.575  -2.824
   36    HG   SER  27           HG       SER  27   0.406 -20.443  -3.325
   37    H    THR  28           HN       THR  28  -0.981 -15.680  -3.448
   38    HA   THR  28           HA       THR  28   1.236 -13.977  -4.122
   39    HB   THR  28           HB       THR  28  -1.690 -13.176  -4.039
   40    HG1  THR  28           HG1      THR  28  -0.658 -15.172  -5.444
   41   HG21  THR  28          HG21      THR  28  -1.047 -11.679  -5.894
   42   HG22  THR  28          HG22      THR  28   0.609 -12.271  -5.798
   43   HG23  THR  28          HG23      THR  28  -0.074 -11.368  -4.462
   44    H    TRP  29           HN       TRP  29  -0.558 -14.561  -1.352
   45    HA   TRP  29           HA       TRP  29  -0.394 -11.940  -0.184
   46    HB2  TRP  29           HB2      TRP  29  -1.501 -14.584   0.693
   47    HB3  TRP  29           HB1      TRP  29  -1.485 -13.154   1.727
   48    HD1  TRP  29           HD1      TRP  29  -2.880 -14.279  -1.630
   49    HE1  TRP  29           HE1      TRP  29  -5.110 -13.012  -2.049
   50    HE3  TRP  29           HE3      TRP  29  -2.841 -11.500   2.419
   51    HZ2  TRP  29           HZ2      TRP  29  -6.592 -11.075  -0.770
   52    HZ3  TRP  29           HZ3      TRP  29  -4.794  -9.862   2.832
   53    HH2  TRP  29           HH2      TRP  29  -6.583  -9.721   1.258
   54    H    ILE  30           HN       ILE  30   1.056 -11.364   1.208
   55    HA   ILE  30           HA       ILE  30   3.218 -13.219   1.890
   56    HB   ILE  30           HB       ILE  30   3.143 -10.205   1.543
   57   HG12  ILE  30          HG12      ILE  30   4.397 -12.477   0.010
   58   HG13  ILE  30          HG11      ILE  30   3.034 -11.507  -0.494
   59   HG21  ILE  30          HG21      ILE  30   5.550 -11.891   2.293
   60   HG22  ILE  30          HG22      ILE  30   4.690 -10.766   3.357
   61   HG23  ILE  30          HG23      ILE  30   5.515 -10.155   1.937
   62   HD11  ILE  30          HD11      ILE  30   5.827 -10.585  -0.084
   63   HD12  ILE  30          HD12      ILE  30   4.454  -9.578  -0.579
   64   HD13  ILE  30          HD13      ILE  30   5.018 -10.884  -1.623
   65    H    GLN  31           HN       GLN  31   3.216 -13.903   3.907
   66    HA   GLN  31           HA       GLN  31   1.702 -12.478   5.929
   67    HB2  GLN  31           HB2      GLN  31   1.431 -14.892   5.716
   68    HB3  GLN  31           HB1      GLN  31   3.150 -15.121   5.975
   69    HG2  GLN  31           HG2      GLN  31   2.892 -14.209   8.271
   70    HG3  GLN  31           HG1      GLN  31   1.176 -14.042   7.954
   71   HE21  GLN  31          HE21      GLN  31   0.807 -15.408   9.657
   72   HE22  GLN  31          HE22      GLN  31   0.879 -17.123   9.483
   73    H    PHE  32           HN       PHE  32   2.640 -11.004   7.138
   74    HA   PHE  32           HA       PHE  32   5.468 -11.307   7.769
   75    HB2  PHE  32           HB2      PHE  32   5.154  -9.574   6.115
   76    HB3  PHE  32           HB1      PHE  32   3.922  -8.817   7.097
   77    HD1  PHE  32           HD2      PHE  32   7.503  -9.796   7.180
   78    HD2  PHE  32           HD1      PHE  32   4.517  -7.056   8.439
   79    HE1  PHE  32           HE2      PHE  32   9.254  -8.346   8.123
   80    HE2  PHE  32           HE1      PHE  32   6.262  -5.591   9.390
   81    HZ   PHE  32           HZ       PHE  32   8.645  -6.240   9.201
   82    H    GLN  33           HN       GLN  33   5.701 -11.610   9.798
   83    HA   GLN  33           HA       GLN  33   5.452 -11.766  11.972
   84    HB2  GLN  33           HB2      GLN  33   4.174  -9.039  11.735
   85    HB3  GLN  33           HB1      GLN  33   4.658  -9.781  13.252
   86    HG2  GLN  33           HG2      GLN  33   6.998  -9.838  12.411
   87    HG3  GLN  33           HG1      GLN  33   6.461  -8.961  10.981
   88   HE21  GLN  33          HE21      GLN  33   7.781  -7.191  11.469
   89   HE22  GLN  33          HE22      GLN  33   7.390  -6.101  12.751
   90    H    ASP  34           HN       ASP  34   2.379 -10.051  11.546
   91    HA   ASP  34           HA       ASP  34   0.983 -12.530  11.986
   92    HB2  ASP  34           HB2      ASP  34  -0.396 -11.544  13.875
   93    HB3  ASP  34           HB1      ASP  34   1.262 -11.947  14.279
   94    H    SER  35           HN       SER  35   1.251 -10.477   9.907
   95    HA   SER  35           HA       SER  35  -1.629 -10.202   9.419
   96    HB2  SER  35           HB2      SER  35   0.464  -8.217   8.599
   97    HB3  SER  35           HB1      SER  35  -1.223  -8.101   8.268
   98    HG   SER  35           HG       SER  35   0.120  -7.834  10.713
   99    H    CYS  36           HN       CYS  36  -1.989  -9.924   7.034
  100    HA   CYS  36           HA       CYS  36   0.181 -10.990   5.327
  101    HB2  CYS  36           HB2      CYS  36  -1.862 -12.634   5.960
  102    HB3  CYS  36           HB1      CYS  36  -2.644 -11.592   4.772
  103    H    TYR  37           HN       TYR  37   0.354 -10.353   3.477
  104    HA   TYR  37           HA       TYR  37  -0.818  -7.712   2.952
  105    HB2  TYR  37           HB2      TYR  37   1.904  -8.843   2.893
  106    HB3  TYR  37           HB1      TYR  37   1.594  -7.345   2.148
  107    HD1  TYR  37           HD1      TYR  37   1.776  -9.151   5.050
  108    HD2  TYR  37           HD2      TYR  37   1.084  -5.462   3.462
  109    HE1  TYR  37           HE1      TYR  37   2.127  -8.258   7.318
  110    HE2  TYR  37           HE2      TYR  37   1.409  -4.370   5.696
  111    HH   TYR  37           HH       TYR  37   2.784  -5.123   7.687
  112    H    ILE  38           HN       ILE  38  -1.315  -7.265   0.898
  113    HA   ILE  38           HA       ILE  38  -0.108  -8.720  -1.261
  114    HB   ILE  38           HB       ILE  38  -2.053 -10.125  -0.786
  115   HG12  ILE  38          HG12      ILE  38  -2.368  -8.515  -3.334
  116   HG13  ILE  38          HG11      ILE  38  -1.280  -9.872  -3.105
  117   HG21  ILE  38          HG21      ILE  38  -4.326  -9.254  -1.094
  118   HG22  ILE  38          HG22      ILE  38  -3.658  -7.625  -1.240
  119   HG23  ILE  38          HG23      ILE  38  -3.484  -8.520   0.271
  120   HD11  ILE  38          HD11      ILE  38  -4.273  -9.986  -2.959
  121   HD12  ILE  38          HD12      ILE  38  -3.146 -11.329  -2.731
  122   HD13  ILE  38          HD13      ILE  38  -3.260 -10.538  -4.311
  123    H    PHE  39           HN       PHE  39   0.173  -7.481  -3.073
  124    HA   PHE  39           HA       PHE  39  -1.074  -4.814  -2.986
  125    HB2  PHE  39           HB2      PHE  39   1.573  -5.432  -3.549
  126    HB3  PHE  39           HB1      PHE  39   0.818  -5.495  -5.075
  127    HD1  PHE  39           HD1      PHE  39   0.675  -3.171  -2.216
  128    HD2  PHE  39           HD2      PHE  39   0.859  -3.673  -6.393
  129    HE1  PHE  39           HE1      PHE  39   0.730  -0.736  -2.489
  130    HE2  PHE  39           HE2      PHE  39   0.918  -1.205  -6.679
  131    HZ   PHE  39           HZ       PHE  39   0.841   0.239  -4.752
  132    H    LEU  40           HN       LEU  40  -2.684  -4.622  -4.335
  133    HA   LEU  40           HA       LEU  40  -2.377  -6.211  -6.576
  134    HB2  LEU  40           HB2      LEU  40  -5.020  -5.979  -6.663
  135    HB3  LEU  40           HB1      LEU  40  -4.228  -7.379  -5.974
  136    HG   LEU  40           HG       LEU  40  -6.120  -6.748  -4.643
  137   HD11  LEU  40          HD11      LEU  40  -5.124  -6.371  -2.443
  138   HD12  LEU  40          HD12      LEU  40  -3.604  -5.994  -3.262
  139   HD13  LEU  40          HD13      LEU  40  -4.268  -7.595  -3.393
  140   HD21  LEU  40          HD21      LEU  40  -6.351  -4.571  -3.513
  141   HD22  LEU  40          HD22      LEU  40  -6.379  -4.401  -5.263
  142   HD23  LEU  40          HD23      LEU  40  -4.921  -3.989  -4.364
  143    H    GLN  41           HN       GLN  41  -1.594  -4.837  -7.853
  144    HA   GLN  41           HA       GLN  41  -2.520  -2.191  -7.965
  145    HB2  GLN  41           HB2      GLN  41  -1.181  -3.619 -10.266
  146    HB3  GLN  41           HB1      GLN  41  -1.219  -1.885  -9.963
  147    HG2  GLN  41           HG2      GLN  41  -0.081  -2.327  -7.835
  148    HG3  GLN  41           HG1      GLN  41   0.177  -3.977  -8.339
  149   HE21  GLN  41          HE21      GLN  41   2.375  -2.229  -7.664
  150   HE22  GLN  41          HE22      GLN  41   3.137  -1.827  -9.165
  151    H    GLU  42           HN       GLU  42  -4.630  -2.145  -8.076
  152    HA   GLU  42           HA       GLU  42  -6.037  -3.109 -10.465
  153    HB2  GLU  42           HB2      GLU  42  -7.007  -2.441  -7.711
  154    HB3  GLU  42           HB1      GLU  42  -8.092  -2.836  -9.016
  155    HG2  GLU  42           HG2      GLU  42  -5.991  -4.694  -7.856
  156    HG3  GLU  42           HG1      GLU  42  -7.705  -4.794  -7.506
  157    H    ALA  43           HN       ALA  43  -6.401  -1.531 -11.838
  158    HA   ALA  43           HA       ALA  43  -6.351   1.270 -11.043
  159    HB1  ALA  43           HB1      ALA  43  -5.312   0.617 -13.163
  160    HB2  ALA  43           HB2      ALA  43  -6.675   1.701 -13.436
  161    HB3  ALA  43           HB3      ALA  43  -6.855  -0.024 -13.732
  162    H    ILE  44           HN       ILE  44  -8.143   2.178 -10.270
  163    HA   ILE  44           HA       ILE  44 -10.718   1.546 -11.463
  164    HB   ILE  44           HB       ILE  44 -11.922   1.293  -9.388
  165   HG12  ILE  44          HG12      ILE  44  -9.339   1.316  -7.857
  166   HG13  ILE  44          HG11      ILE  44 -10.363   2.737  -8.050
  167   HG21  ILE  44          HG21      ILE  44 -11.069  -0.858  -8.506
  168   HG22  ILE  44          HG22      ILE  44  -9.599  -0.629  -9.434
  169   HG23  ILE  44          HG23      ILE  44 -11.140  -0.810 -10.260
  170   HD11  ILE  44          HD11      ILE  44 -10.795   1.644  -5.931
  171   HD12  ILE  44          HD12      ILE  44 -11.176   0.139  -6.783
  172   HD13  ILE  44          HD13      ILE  44 -12.194   1.567  -7.007
  173    H    LYS  45           HN       LYS  45 -12.310   3.159 -11.057
  174    HA   LYS  45           HA       LYS  45 -11.343   5.753 -10.805
  175    HB2  LYS  45           HB2      LYS  45 -13.353   5.273 -12.072
  176    HB3  LYS  45           HB1      LYS  45 -14.126   4.579 -10.654
  177    HG2  LYS  45           HG2      LYS  45 -15.022   6.786 -11.131
  178    HG3  LYS  45           HG1      LYS  45 -14.146   6.779  -9.597
  179    HD2  LYS  45           HD2      LYS  45 -12.196   7.666 -10.736
  180    HD3  LYS  45           HD1      LYS  45 -13.104   7.785 -12.241
  181    HE2  LYS  45           HE2      LYS  45 -14.680   9.245 -11.162
  182    HE3  LYS  45           HE1      LYS  45 -13.773   9.179  -9.652
  183    HZ1  LYS  45           HZ1      LYS  45 -12.798  10.326 -12.231
  184    HZ2  LYS  45           HZ2      LYS  45 -11.891  10.192 -10.810
  185    HZ3  LYS  45           HZ3      LYS  45 -13.228  11.197 -10.850
  186    H    VAL  46           HN       VAL  46 -10.506   6.352  -8.911
  187    HA   VAL  46           HA       VAL  46 -11.767   5.528  -6.420
  188    HB   VAL  46           HB       VAL  46  -9.073   6.871  -6.824
  189   HG11  VAL  46          HG11      VAL  46 -10.203   7.317  -4.687
  190   HG12  VAL  46          HG12      VAL  46  -8.694   6.427  -4.504
  191   HG13  VAL  46          HG13      VAL  46 -10.243   5.595  -4.373
  192   HG21  VAL  46          HG21      VAL  46  -9.094   4.645  -7.759
  193   HG22  VAL  46          HG22      VAL  46  -9.765   4.005  -6.260
  194   HG23  VAL  46          HG23      VAL  46  -8.129   4.686  -6.277
  195    H    GLU  47           HN       GLU  47 -13.013   6.757  -5.511
  196    HA   GLU  47           HA       GLU  47 -13.106   9.531  -6.314
  197    HB2  GLU  47           HB2      GLU  47 -15.099   7.912  -4.771
  198    HB3  GLU  47           HB1      GLU  47 -15.283   9.457  -5.609
  199    HG2  GLU  47           HG2      GLU  47 -14.533   8.230  -7.624
  200    HG3  GLU  47           HG1      GLU  47 -14.931   6.755  -6.780
  201    H    SER  48           HN       SER  48 -12.875   7.359  -3.664
  202    HA   SER  48           HA       SER  48 -11.859   9.449  -1.896
  203    HB2  SER  48           HB2      SER  48 -13.958   7.385  -1.283
  204    HB3  SER  48           HB1      SER  48 -13.054   8.359  -0.114
  205    HG   SER  48           HG       SER  48 -13.954  10.157  -0.889
  206    H    ILE  49           HN       ILE  49 -10.616   8.392  -0.112
  207    HA   ILE  49           HA       ILE  49  -9.093   6.316  -1.161
  208    HB   ILE  49           HB       ILE  49  -8.267   7.920   0.530
  209   HG12  ILE  49          HG12      ILE  49  -8.090   4.974   1.156
  210   HG13  ILE  49          HG11      ILE  49  -7.266   5.842   0.118
  211   HG21  ILE  49          HG21      ILE  49  -8.793   7.331   2.859
  212   HG22  ILE  49          HG22      ILE  49 -10.115   6.340   2.144
  213   HG23  ILE  49          HG23      ILE  49 -10.099   8.131   1.921
  214   HD11  ILE  49          HD11      ILE  49  -5.852   5.683   2.187
  215   HD12  ILE  49          HD12      ILE  49  -7.008   6.786   2.960
  216   HD13  ILE  49          HD13      ILE  49  -6.102   7.314   1.583
  217    H    GLU  50           HN       GLU  50 -11.835   6.478   0.607
  218    HA   GLU  50           HA       GLU  50 -12.262   3.865   1.582
  219    HB2  GLU  50           HB2      GLU  50 -14.371   5.612   0.314
  220    HB3  GLU  50           HB1      GLU  50 -14.670   4.275   1.404
  221    HG2  GLU  50           HG2      GLU  50 -13.226   6.804   2.153
  222    HG3  GLU  50           HG1      GLU  50 -14.944   6.509   2.383
  223    H    ASP  51           HN       ASP  51 -12.386   5.113  -1.759
  224    HA   ASP  51           HA       ASP  51 -13.702   2.892  -2.896
  225    HB2  ASP  51           HB2      ASP  51 -12.184   5.248  -3.945
  226    HB3  ASP  51           HB1      ASP  51 -12.645   3.975  -4.983
  227    H    VAL  52           HN       VAL  52 -10.460   3.768  -2.156
  228    HA   VAL  52           HA       VAL  52  -9.430   1.785  -3.975
  229    HB   VAL  52           HB       VAL  52  -8.185   3.853  -4.054
  230   HG11  VAL  52          HG11      VAL  52  -8.195   4.010  -1.203
  231   HG12  VAL  52          HG12      VAL  52  -9.106   4.868  -2.461
  232   HG13  VAL  52          HG13      VAL  52  -7.347   5.073  -2.368
  233   HG21  VAL  52          HG21      VAL  52  -6.588   2.111  -4.166
  234   HG22  VAL  52          HG22      VAL  52  -6.851   1.743  -2.465
  235   HG23  VAL  52          HG23      VAL  52  -5.962   3.211  -2.913
  236    H    ARG  53           HN       ARG  53  -9.895   2.475  -0.648
  237    HA   ARG  53           HA       ARG  53  -8.427   0.363   0.345
  238    HB2  ARG  53           HB2      ARG  53  -9.463   1.191   2.498
  239    HB3  ARG  53           HB1      ARG  53  -9.228   2.506   1.417
  240    HG2  ARG  53           HG2      ARG  53 -11.109   2.745   2.510
  241    HG3  ARG  53           HG1      ARG  53 -11.543   2.256   0.821
  242    HD2  ARG  53           HD2      ARG  53 -12.765   0.525   1.771
  243    HD3  ARG  53           HD1      ARG  53 -11.133   0.135   2.140
  244    HE   ARG  53           HE       ARG  53 -11.154   0.672   4.307
  245   HH11  ARG  53          HH11      ARG  53 -14.326   1.552   2.921
  246   HH12  ARG  53          HH12      ARG  53 -15.010   1.900   4.428
  247   HH21  ARG  53          HH21      ARG  53 -12.167   1.109   6.367
  248   HH22  ARG  53          HH22      ARG  53 -13.783   1.643   6.404
  249    H    ASN  54           HN       ASN  54 -11.414   0.612  -1.246
  250    HA   ASN  54           HA       ASN  54 -12.863  -1.670  -0.401
  251    HB2  ASN  54           HB2      ASN  54 -12.800  -0.042  -2.874
  252    HB3  ASN  54           HB1      ASN  54 -13.764  -1.531  -2.872
  253   HD21  ASN  54          HD21      ASN  54 -14.734   1.102  -3.271
  254   HD22  ASN  54          HD22      ASN  54 -15.790   1.482  -1.969
  255    H    GLN  55           HN       GLN  55 -10.258  -1.178  -2.514
  256    HA   GLN  55           HA       GLN  55 -10.374  -3.563  -4.041
  257    HB2  GLN  55           HB2      GLN  55  -7.920  -1.987  -3.265
  258    HB3  GLN  55           HB1      GLN  55  -8.032  -3.159  -4.567
  259    HG2  GLN  55           HG2      GLN  55  -9.689  -1.721  -5.673
  260    HG3  GLN  55           HG1      GLN  55  -9.526  -0.585  -4.375
  261   HE21  GLN  55          HE21      GLN  55  -8.851   1.030  -5.779
  262   HE22  GLN  55          HE22      GLN  55  -7.235   1.081  -6.392
  263    H    CYS  56           HN       CYS  56  -9.062  -2.819  -0.888
  264    HA   CYS  56           HA       CYS  56  -7.826  -5.362  -0.674
  265    HB2  CYS  56           HB2      CYS  56  -8.179  -3.232   1.453
  266    HB3  CYS  56           HB1      CYS  56  -7.299  -4.698   1.476
  267    H    THR  57           HN       THR  57 -10.702  -3.730   0.541
  268    HA   THR  57           HA       THR  57 -11.408  -5.782   2.331
  269    HB   THR  57           HB       THR  57 -13.592  -4.645   2.452
  270    HG1  THR  57           HG1      THR  57 -13.986  -2.896   1.136
  271   HG21  THR  57          HG21      THR  57 -11.183  -2.862   2.410
  272   HG22  THR  57          HG22      THR  57 -11.748  -3.811   3.783
  273   HG23  THR  57          HG23      THR  57 -12.704  -2.436   3.200
  274    H    ASP  58           HN       ASP  58 -11.633  -5.409  -0.936
  275    HA   ASP  58           HA       ASP  58 -13.667  -7.186  -1.767
  276    HB2  ASP  58           HB2      ASP  58 -12.531  -5.766  -3.363
  277    HB3  ASP  58           HB1      ASP  58 -10.987  -6.517  -2.998
  278    H    HIS  59           HN       HIS  59 -10.547  -7.704  -0.406
  279    HA   HIS  59           HA       HIS  59 -10.723 -10.591  -0.918
  280    HB2  HIS  59           HB2      HIS  59  -8.258  -9.007  -0.124
  281    HB3  HIS  59           HB1      HIS  59  -8.372 -10.712  -0.463
  282    HD1  HIS  59           HD1      HIS  59  -7.905 -11.405  -2.914
  283    HD2  HIS  59           HD2      HIS  59  -8.670  -7.357  -2.463
  284    HE1  HIS  59           HE1      HIS  59  -7.466 -10.326  -5.179
  285    HE2  HIS  59           HE2      HIS  59  -8.423  -8.069  -4.902
  286    H    GLY  60           HN       GLY  60 -11.800  -8.623   1.231
  287    HA2  GLY  60           HA2      GLY  60 -12.345  -8.871   3.440
  288    HA3  GLY  60           HA1      GLY  60 -11.516 -10.428   3.387
  289    H    ALA  61           HN       ALA  61  -9.853  -7.680   2.354
  290    HA   ALA  61           HA       ALA  61  -8.254  -7.670   4.841
  291    HB1  ALA  61           HB1      ALA  61  -6.988  -8.563   2.937
  292    HB2  ALA  61           HB2      ALA  61  -6.320  -7.007   3.432
  293    HB3  ALA  61           HB3      ALA  61  -7.347  -7.117   2.003
  294    H    ASP  62           HN       ASP  62  -6.941  -5.402   4.835
  295    HA   ASP  62           HA       ASP  62  -8.654  -3.282   3.841
  296    HB2  ASP  62           HB2      ASP  62  -8.199  -1.963   5.951
  297    HB3  ASP  62           HB1      ASP  62  -9.282  -3.325   6.170
  298    H    MET  63           HN       MET  63  -7.335  -1.117   4.005
  299    HA   MET  63           HA       MET  63  -4.961  -1.731   2.579
  300    HB2  MET  63           HB2      MET  63  -5.956   0.941   3.582
  301    HB3  MET  63           HB1      MET  63  -4.484   0.738   2.648
  302    HG2  MET  63           HG2      MET  63  -5.781  -0.128   0.770
  303    HG3  MET  63           HG1      MET  63  -7.237   0.045   1.761
  304    HE1  MET  63           HE1      MET  63  -4.680   3.674   0.434
  305    HE2  MET  63           HE2      MET  63  -4.290   2.112  -0.194
  306    HE3  MET  63           HE3      MET  63  -4.112   2.442   1.547
  307    H    ILE  64           HN       ILE  64  -2.954  -1.411   3.032
  308    HA   ILE  64           HA       ILE  64  -1.662  -2.380   5.142
  309    HB   ILE  64           HB       ILE  64  -0.431  -1.981   3.278
  310   HG12  ILE  64          HG12      ILE  64   0.325   0.087   5.245
  311   HG13  ILE  64          HG11      ILE  64   0.983  -1.610   5.158
  312   HG21  ILE  64          HG21      ILE  64  -1.743  -0.386   2.152
  313   HG22  ILE  64          HG22      ILE  64  -0.097   0.220   2.198
  314   HG23  ILE  64          HG23      ILE  64  -1.314   0.881   3.303
  315   HD11  ILE  64          HD11      ILE  64   1.470   0.634   3.216
  316   HD12  ILE  64          HD12      ILE  64   2.025  -1.034   3.099
  317   HD13  ILE  64          HD13      ILE  64   2.625  -0.009   4.401
  318    H    SER  65           HN       SER  65  -0.635  -1.713   7.083
  319    HA   SER  65           HA       SER  65  -1.015   0.969   7.972
  320    HB2  SER  65           HB2      SER  65  -2.030   0.086  10.139
  321    HB3  SER  65           HB1      SER  65  -3.072   0.133   8.709
  322    HG   SER  65           HG       SER  65  -3.126  -1.948   8.632
  323    H    ILE  66           HN       ILE  66   0.761   1.625   8.931
  324    HA   ILE  66           HA       ILE  66   2.779  -0.337   9.676
  325    HB   ILE  66           HB       ILE  66   3.009   2.595   9.058
  326   HG12  ILE  66          HG12      ILE  66   3.696   0.108   7.453
  327   HG13  ILE  66          HG11      ILE  66   2.338   1.186   7.167
  328   HG21  ILE  66          HG21      ILE  66   5.433   2.126   9.010
  329   HG22  ILE  66          HG22      ILE  66   5.060   0.533   9.708
  330   HG23  ILE  66          HG23      ILE  66   4.665   1.996  10.586
  331   HD11  ILE  66          HD11      ILE  66   4.174   1.488   5.602
  332   HD12  ILE  66          HD12      ILE  66   5.229   1.964   6.945
  333   HD13  ILE  66          HD13      ILE  66   3.827   2.946   6.525
  334    H    HIS  67           HN       HIS  67   3.097  -0.773  11.643
  335    HA   HIS  67           HA       HIS  67   2.802   1.364  13.615
  336    HB2  HIS  67           HB2      HIS  67   2.483  -1.628  14.030
  337    HB3  HIS  67           HB1      HIS  67   2.477  -0.424  15.301
  338    HD1  HIS  67           HD1      HIS  67   0.265   0.639  15.857
  339    HD2  HIS  67           HD2      HIS  67   0.179  -1.384  12.229
  340    HE1  HIS  67           HE1      HIS  67  -2.133   0.581  15.193
  341    HE2  HIS  67           HE2      HIS  67  -2.185  -1.054  13.291
  342    H    ASN  68           HN       ASN  68   5.135   0.114  11.771
  343    HA   ASN  68           HA       ASN  68   7.178   0.731  13.559
  344    HB2  ASN  68           HB2      ASN  68   8.308  -1.573  13.109
  345    HB3  ASN  68           HB1      ASN  68   7.493  -1.396  14.595
  346   HD21  ASN  68          HD21      ASN  68   5.336  -2.403  14.672
  347   HD22  ASN  68          HD22      ASN  68   4.945  -3.722  13.633
  348    H    GLU  69           HN       GLU  69   9.286   0.437  12.738
  349    HA   GLU  69           HA       GLU  69   9.453   1.240  10.063
  350    HB2  GLU  69           HB2      GLU  69  11.802   1.126  10.422
  351    HB3  GLU  69           HB1      GLU  69  11.052   1.911  11.816
  352    HG2  GLU  69           HG2      GLU  69  11.115  -0.555  12.693
  353    HG3  GLU  69           HG1      GLU  69  12.414  -0.696  11.534
  354    H    GLU  70           HN       GLU  70   9.402  -1.907  11.696
  355    HA   GLU  70           HA       GLU  70  10.790  -3.193   9.701
  356    HB2  GLU  70           HB2      GLU  70   9.358  -3.699  12.129
  357    HB3  GLU  70           HB1      GLU  70   9.136  -4.967  10.966
  358    HG2  GLU  70           HG2      GLU  70  11.783  -3.873  11.945
  359    HG3  GLU  70           HG1      GLU  70  11.041  -5.382  12.482
  360    H    GLU  71           HN       GLU  71   7.404  -2.587  10.429
  361    HA   GLU  71           HA       GLU  71   6.159  -3.870   8.263
  362    HB2  GLU  71           HB2      GLU  71   5.284  -2.252  10.342
  363    HB3  GLU  71           HB1      GLU  71   5.204  -1.190   8.956
  364    HG2  GLU  71           HG2      GLU  71   3.607  -3.744   9.318
  365    HG3  GLU  71           HG1      GLU  71   3.070  -2.053   9.089
  366    H    ASN  72           HN       ASN  72   7.313  -0.523   8.704
  367    HA   ASN  72           HA       ASN  72   6.510   0.565   6.328
  368    HB2  ASN  72           HB2      ASN  72   7.337   1.911   8.238
  369    HB3  ASN  72           HB1      ASN  72   8.941   1.228   7.987
  370   HD21  ASN  72          HD21      ASN  72  10.204   1.930   6.295
  371   HD22  ASN  72          HD22      ASN  72   9.764   3.261   5.304
  372    H    ALA  73           HN       ALA  73   9.600  -0.749   7.215
  373    HA   ALA  73           HA       ALA  73  10.736  -0.430   4.625
  374    HB1  ALA  73           HB1      ALA  73  11.722  -2.096   6.900
  375    HB2  ALA  73           HB2      ALA  73  11.940  -0.361   6.722
  376    HB3  ALA  73           HB3      ALA  73  12.649  -1.472   5.506
  377    H    PHE  74           HN       PHE  74   8.947  -2.987   6.128
  378    HA   PHE  74           HA       PHE  74   9.676  -5.149   4.467
  379    HB2  PHE  74           HB2      PHE  74   8.213  -5.695   6.525
  380    HB3  PHE  74           HB1      PHE  74   7.224  -4.398   5.912
  381    HD1  PHE  74           HD2      PHE  74   8.481  -7.691   4.698
  382    HD2  PHE  74           HD1      PHE  74   5.383  -4.936   5.350
  383    HE1  PHE  74           HE2      PHE  74   6.848  -9.299   3.772
  384    HE2  PHE  74           HE1      PHE  74   3.846  -6.325   4.545
  385    HZ   PHE  74           HZ       PHE  74   4.466  -8.647   3.664
  386    H    ILE  75           HN       ILE  75   7.195  -2.796   4.419
  387    HA   ILE  75           HA       ILE  75   5.591  -3.732   2.215
  388    HB   ILE  75           HB       ILE  75   5.950  -0.935   3.305
  389   HG12  ILE  75          HG12      ILE  75   5.463  -2.661   4.978
  390   HG13  ILE  75          HG11      ILE  75   4.208  -1.488   4.992
  391   HG21  ILE  75          HG21      ILE  75   3.716  -2.234   1.852
  392   HG22  ILE  75          HG22      ILE  75   4.843  -1.025   1.184
  393   HG23  ILE  75          HG23      ILE  75   3.750  -0.600   2.529
  394   HD11  ILE  75          HD11      ILE  75   3.346  -3.565   5.196
  395   HD12  ILE  75          HD12      ILE  75   4.206  -4.207   3.769
  396   HD13  ILE  75          HD13      ILE  75   2.899  -3.016   3.584
  397    H    LEU  76           HN       LEU  76   8.025  -1.603   2.759
  398    HA   LEU  76           HA       LEU  76   8.332  -0.363   0.375
  399    HB2  LEU  76           HB2      LEU  76   9.314  -0.377   2.795
  400    HB3  LEU  76           HB1      LEU  76  10.671  -1.056   1.960
  401    HG   LEU  76           HG       LEU  76  10.072   1.034   0.366
  402   HD11  LEU  76          HD11      LEU  76   8.847   1.786   2.940
  403   HD12  LEU  76          HD12      LEU  76   8.022   1.282   1.495
  404   HD13  LEU  76          HD13      LEU  76   8.958   2.786   1.479
  405   HD21  LEU  76          HD21      LEU  76  11.325   1.561   3.037
  406   HD22  LEU  76          HD22      LEU  76  11.382   2.534   1.540
  407   HD23  LEU  76          HD23      LEU  76  12.165   0.947   1.584
  408    H    ASP  77           HN       ASP  77   9.912  -3.253   1.611
  409    HA   ASP  77           HA       ASP  77  11.366  -3.629  -0.951
  410    HB2  ASP  77           HB2      ASP  77  12.538  -5.442   0.138
  411    HB3  ASP  77           HB1      ASP  77  12.305  -4.185   1.458
  412    H    THR  78           HN       THR  78   8.718  -4.840   0.629
  413    HA   THR  78           HA       THR  78   8.743  -7.375  -0.660
  414    HB   THR  78           HB       THR  78   6.928  -5.953   1.204
  415    HG1  THR  78           HG1      THR  78   8.688  -6.713   2.120
  416   HG21  THR  78          HG21      THR  78   6.558  -8.725   0.100
  417   HG22  THR  78          HG22      THR  78   5.519  -7.334  -0.224
  418   HG23  THR  78          HG23      THR  78   5.614  -8.003   1.411
  419    H    LEU  79           HN       LEU  79   7.299  -4.353  -1.040
  420    HA   LEU  79           HA       LEU  79   5.256  -4.844  -2.653
  421    HB2  LEU  79           HB2      LEU  79   6.430  -2.793  -1.605
  422    HB3  LEU  79           HB1      LEU  79   7.019  -2.549  -3.203
  423    HG   LEU  79           HG       LEU  79   5.079  -1.313  -3.182
  424   HD11  LEU  79          HD11      LEU  79   3.252  -2.441  -4.227
  425   HD12  LEU  79          HD12      LEU  79   3.807  -3.966  -3.560
  426   HD13  LEU  79          HD13      LEU  79   4.761  -3.182  -4.823
  427   HD21  LEU  79          HD21      LEU  79   3.112  -1.920  -1.714
  428   HD22  LEU  79          HD22      LEU  79   4.607  -1.576  -0.890
  429   HD23  LEU  79          HD23      LEU  79   4.100  -3.259  -1.091
  430    H    LYS  80           HN       LYS  80   8.475  -3.813  -3.491
  431    HA   LYS  80           HA       LYS  80   8.404  -4.373  -6.264
  432    HB2  LYS  80           HB2      LYS  80  10.606  -3.870  -4.354
  433    HB3  LYS  80           HB1      LYS  80  10.828  -3.851  -6.131
  434    HG2  LYS  80           HG2      LYS  80  10.195  -1.695  -6.065
  435    HG3  LYS  80           HG1      LYS  80   8.622  -2.272  -5.497
  436    HD2  LYS  80           HD2      LYS  80   9.369  -0.782  -3.960
  437    HD3  LYS  80           HD1      LYS  80   9.539  -2.360  -3.237
  438    HE2  LYS  80           HE2      LYS  80  11.900  -2.474  -3.749
  439    HE3  LYS  80           HE1      LYS  80  11.870  -0.893  -4.528
  440    HZ1  LYS  80           HZ1      LYS  80  11.448   0.100  -2.303
  441    HZ2  LYS  80           HZ2      LYS  80  12.795  -0.895  -2.240
  442    HZ3  LYS  80           HZ3      LYS  80  11.335  -1.445  -1.656
  443    H    LYS  81           HN       LYS  81   9.220  -6.270  -3.559
  444    HA   LYS  81           HA       LYS  81  11.039  -8.083  -4.758
  445    HB2  LYS  81           HB2      LYS  81  10.873  -7.483  -2.412
  446    HB3  LYS  81           HB1      LYS  81   9.323  -8.283  -2.346
  447    HG2  LYS  81           HG2      LYS  81  10.359 -10.407  -2.702
  448    HG3  LYS  81           HG1      LYS  81  11.902  -9.600  -2.993
  449    HD2  LYS  81           HD2      LYS  81  12.085 -10.203  -0.677
  450    HD3  LYS  81           HD1      LYS  81  11.526  -8.559  -0.670
  451    HE2  LYS  81           HE2      LYS  81   9.223  -9.495  -0.743
  452    HE3  LYS  81           HE1      LYS  81   9.931 -11.012  -0.266
  453    HZ1  LYS  81           HZ1      LYS  81  10.851 -10.088   1.718
  454    HZ2  LYS  81           HZ2      LYS  81   9.220  -9.641   1.734
  455    HZ3  LYS  81           HZ3      LYS  81  10.410  -8.532   1.280
  456    H    GLN  82           HN       GLN  82   7.735  -8.384  -3.743
  457    HA   GLN  82           HA       GLN  82   7.429 -10.961  -5.143
  458    HB2  GLN  82           HB2      GLN  82   6.609 -10.558  -2.845
  459    HB3  GLN  82           HB1      GLN  82   5.405  -9.473  -3.527
  460    HG2  GLN  82           HG2      GLN  82   4.304 -11.580  -3.247
  461    HG3  GLN  82           HG1      GLN  82   4.643 -11.373  -4.946
  462   HE21  GLN  82          HE21      GLN  82   5.865 -12.932  -2.050
  463   HE22  GLN  82          HE22      GLN  82   6.607 -14.239  -2.890
  464    H    TRP  83           HN       TRP  83   6.060  -7.718  -5.140
  465    HA   TRP  83           HA       TRP  83   4.485  -8.440  -7.482
  466    HB2  TRP  83           HB2      TRP  83   4.067  -6.074  -5.569
  467    HB3  TRP  83           HB1      TRP  83   2.958  -6.675  -6.795
  468    HD1  TRP  83           HD1      TRP  83   2.140  -9.461  -6.204
  469    HE1  TRP  83           HE1      TRP  83   1.367 -10.316  -3.842
  470    HE3  TRP  83           HE3      TRP  83   4.113  -5.890  -3.395
  471    HZ2  TRP  83           HZ2      TRP  83   1.561  -9.523  -1.204
  472    HZ3  TRP  83           HZ3      TRP  83   3.826  -5.903  -0.894
  473    HH2  TRP  83           HH2      TRP  83   2.570  -7.672   0.179
  474    H    LYS  84           HN       LYS  84   4.146  -5.709  -8.352
  475    HA   LYS  84           HA       LYS  84   6.679  -5.374  -9.689
  476    HB2  LYS  84           HB2      LYS  84   4.283  -3.552  -9.701
  477    HB3  LYS  84           HB1      LYS  84   5.655  -3.473 -10.795
  478    HG2  LYS  84           HG2      LYS  84   5.056  -5.632 -11.723
  479    HG3  LYS  84           HG1      LYS  84   3.696  -5.755 -10.611
  480    HD2  LYS  84           HD2      LYS  84   2.803  -4.966 -12.686
  481    HD3  LYS  84           HD1      LYS  84   2.876  -3.599 -11.562
  482    HE2  LYS  84           HE2      LYS  84   4.854  -2.748 -12.579
  483    HE3  LYS  84           HE1      LYS  84   5.011  -4.176 -13.598
  484    HZ1  LYS  84           HZ1      LYS  84   4.105  -2.275 -14.785
  485    HZ2  LYS  84           HZ2      LYS  84   2.784  -2.217 -13.746
  486    HZ3  LYS  84           HZ3      LYS  84   3.006  -3.545 -14.744
  487    H    GLY  85           HN       GLY  85   4.882  -2.895  -7.993
  488    HA2  GLY  85           HA2      GLY  85   5.505  -1.894  -6.310
  489    HA3  GLY  85           HA1      GLY  85   7.041  -1.951  -6.197
  490    HA   PRO  86           HA       PRO  86   5.842   1.647  -8.803
  491    HB2  PRO  86           HB2      PRO  86   3.932   2.994  -7.469
  492    HB3  PRO  86           HB1      PRO  86   3.701   1.488  -8.439
  493    HG2  PRO  86           HG2      PRO  86   3.505   1.669  -5.510
  494    HG3  PRO  86           HG1      PRO  86   2.768   0.584  -6.727
  495    HD2  PRO  86           HD2      PRO  86   5.237   0.105  -5.243
  496    HD3  PRO  86           HD1      PRO  86   4.173  -0.870  -6.247
  497    H    ASP  87           HN       ASP  87   6.017   4.103  -8.008
  498    HA   ASP  87           HA       ASP  87   8.431   4.227  -6.508
  499    HB2  ASP  87           HB2      ASP  87   6.614   6.472  -7.357
  500    HB3  ASP  87           HB1      ASP  87   8.172   6.715  -6.577
  501    H    ASP  88           HN       ASP  88   5.113   5.120  -5.703
  502    HA   ASP  88           HA       ASP  88   5.815   4.526  -2.935
  503    HB2  ASP  88           HB2      ASP  88   3.839   6.803  -3.301
  504    HB3  ASP  88           HB1      ASP  88   4.822   6.274  -1.977
  505    H    ILE  89           HN       ILE  89   4.231   3.632  -1.890
  506    HA   ILE  89           HA       ILE  89   1.926   2.682  -3.491
  507    HB   ILE  89           HB       ILE  89   1.689   0.934  -1.885
  508   HG12  ILE  89          HG12      ILE  89   2.955   2.614  -0.371
  509   HG13  ILE  89          HG11      ILE  89   2.646   1.055   0.245
  510   HG21  ILE  89          HG21      ILE  89   3.100   0.536  -3.792
  511   HG22  ILE  89          HG22      ILE  89   3.802  -0.223  -2.358
  512   HG23  ILE  89          HG23      ILE  89   4.456   1.303  -2.951
  513   HD11  ILE  89          HD11      ILE  89   5.119   0.598  -0.508
  514   HD12  ILE  89          HD12      ILE  89   4.997   2.031   0.577
  515   HD13  ILE  89          HD13      ILE  89   5.074   2.231  -1.131
  516    H    LEU  90           HN       LEU  90  -0.250   2.752  -2.446
  517    HA   LEU  90           HA       LEU  90  -0.309   5.000  -0.822
  518    HB2  LEU  90           HB2      LEU  90  -2.307   3.556  -2.375
  519    HB3  LEU  90           HB1      LEU  90  -2.746   3.454  -0.795
  520    HG   LEU  90           HG       LEU  90  -2.292   6.116  -2.075
  521   HD11  LEU  90          HD11      LEU  90  -4.724   6.186  -2.092
  522   HD12  LEU  90          HD12      LEU  90  -4.742   4.474  -1.610
  523   HD13  LEU  90          HD13      LEU  90  -4.007   4.976  -3.145
  524   HD21  LEU  90          HD21      LEU  90  -3.665   5.304   0.453
  525   HD22  LEU  90          HD22      LEU  90  -3.557   6.945  -0.206
  526   HD23  LEU  90          HD23      LEU  90  -2.100   6.097   0.334
  527    H    LEU  91           HN       LEU  91  -0.569   5.188   1.248
  528    HA   LEU  91           HA       LEU  91  -0.156   2.825   2.898
  529    HB2  LEU  91           HB2      LEU  91  -0.349   5.813   3.618
  530    HB3  LEU  91           HB1      LEU  91  -0.828   4.604   4.472
  531    HG   LEU  91           HG       LEU  91   0.945   4.023   5.494
  532   HD11  LEU  91          HD11      LEU  91   2.986   3.339   4.430
  533   HD12  LEU  91          HD12      LEU  91   2.308   3.724   2.853
  534   HD13  LEU  91          HD13      LEU  91   1.578   2.454   3.872
  535   HD21  LEU  91          HD21      LEU  91   2.323   6.104   3.853
  536   HD22  LEU  91          HD22      LEU  91   2.911   5.385   5.359
  537   HD23  LEU  91          HD23      LEU  91   1.463   6.352   5.369
  538    H    GLY  92           HN       GLY  92  -1.539   2.587   4.558
  539    HA2  GLY  92           HA2      GLY  92  -4.190   2.814   3.491
  540    HA3  GLY  92           HA1      GLY  92  -3.835   1.630   4.690
  541    H    MET  93           HN       MET  93  -3.631   5.091   4.252
  542    HA   MET  93           HA       MET  93  -4.536   5.321   6.872
  543    HB2  MET  93           HB2      MET  93  -2.716   6.092   7.636
  544    HB3  MET  93           HB1      MET  93  -1.965   6.005   6.040
  545    HG2  MET  93           HG2      MET  93  -2.691   8.277   5.548
  546    HG3  MET  93           HG1      MET  93  -3.550   8.351   7.081
  547    HE1  MET  93           HE1      MET  93   1.003   7.864   7.014
  548    HE2  MET  93           HE2      MET  93  -0.021   7.645   5.582
  549    HE3  MET  93           HE3      MET  93  -0.154   6.534   6.946
  550    H    PHE  94           HN       PHE  94  -5.918   7.022   7.193
  551    HA   PHE  94           HA       PHE  94  -6.478   8.476   4.752
  552    HB2  PHE  94           HB2      PHE  94  -8.869   8.074   5.013
  553    HB3  PHE  94           HB1      PHE  94  -7.972   6.658   5.066
  554    HD1  PHE  94           HD1      PHE  94  -7.768   5.491   6.900
  555    HD2  PHE  94           HD2      PHE  94 -10.191   8.823   6.977
  556    HE1  PHE  94           HE1      PHE  94  -8.913   4.501   8.851
  557    HE2  PHE  94           HE2      PHE  94 -11.388   7.940   8.958
  558    HZ   PHE  94           HZ       PHE  94 -10.667   5.676   9.860
  559    H    TYR  95           HN       TYR  95  -7.661  10.351   5.124
  560    HA   TYR  95           HA       TYR  95  -6.623  11.500   7.585
  561    HB2  TYR  95           HB2      TYR  95  -5.401  12.461   5.712
  562    HB3  TYR  95           HB1      TYR  95  -6.874  12.990   4.936
  563    HD1  TYR  95           HD1      TYR  95  -5.627  13.230   8.383
  564    HD2  TYR  95           HD2      TYR  95  -6.998  15.268   4.970
  565    HE1  TYR  95           HE1      TYR  95  -5.456  15.313   9.628
  566    HE2  TYR  95           HE2      TYR  95  -6.826  17.403   6.149
  567    HH   TYR  95           HH       TYR  95  -6.757  18.282   8.379
  568    H    ASP  96           HN       ASP  96  -8.129  11.433   8.868
  569    HA   ASP  96           HA       ASP  96 -10.833  12.007   8.211
  570    HB2  ASP  96           HB2      ASP  96 -10.121  10.460   9.928
  571    HB3  ASP  96           HB1      ASP  96  -9.474  11.801  10.859
  572    H    THR  97           HN       THR  97 -11.260  14.199   7.870
  573    HA   THR  97           HA       THR  97  -9.409  16.167   8.788
  574    HB   THR  97           HB       THR  97 -10.887  17.724   7.589
  575    HG1  THR  97           HG1      THR  97 -12.883  16.953   7.610
  576   HG21  THR  97          HG21      THR  97 -10.175  15.200   6.113
  577   HG22  THR  97          HG22      THR  97  -9.087  16.535   6.430
  578   HG23  THR  97          HG23      THR  97 -10.459  16.759   5.336
  579    H    ASP  98           HN       ASP  98 -12.304  14.813   9.814
  580    HA   ASP  98           HA       ASP  98 -13.475  16.873  11.328
  581    HB2  ASP  98           HB2      ASP  98 -14.562  14.814  10.634
  582    HB3  ASP  98           HB1      ASP  98 -13.518  13.890  11.683
  583    H    ASP  99           HN       ASP  99 -11.329  14.252  12.208
  584    HA   ASP  99           HA       ASP  99 -10.825  15.349  14.899
  585    HB2  ASP  99           HB2      ASP  99 -10.879  12.787  14.230
  586    HB3  ASP  99           HB1      ASP  99  -9.320  13.139  13.581
  587    H    ALA 100           HN       ALA 100  -9.637  15.333  11.767
  588    HA   ALA 100           HA       ALA 100  -7.914  16.009  10.666
  589    HB1  ALA 100           HB1      ALA 100  -7.147  17.612  13.122
  590    HB2  ALA 100           HB2      ALA 100  -8.184  18.185  11.812
  591    HB3  ALA 100           HB3      ALA 100  -6.478  17.839  11.504
  592    H    SER 101           HN       SER 101  -7.703  13.581  11.386
  593    HA   SER 101           HA       SER 101  -4.969  13.287  12.329
  594    HB2  SER 101           HB2      SER 101  -5.992  12.737  14.131
  595    HB3  SER 101           HB1      SER 101  -7.455  12.026  13.414
  596    HG   SER 101           HG       SER 101  -4.801  10.969  13.611
  597    H    PHE 102           HN       PHE 102  -3.916  11.663  11.530
  598    HA   PHE 102           HA       PHE 102  -5.068  10.533   9.217
  599    HB2  PHE 102           HB2      PHE 102  -2.241  10.359  10.227
  600    HB3  PHE 102           HB1      PHE 102  -2.848   9.496   8.834
  601    HD1  PHE 102           HD1      PHE 102  -3.640  10.689   6.925
  602    HD2  PHE 102           HD2      PHE 102  -1.689  12.579  10.179
  603    HE1  PHE 102           HE1      PHE 102  -3.160  12.664   5.511
  604    HE2  PHE 102           HE2      PHE 102  -1.203  14.532   8.805
  605    HZ   PHE 102           HZ       PHE 102  -1.921  14.596   6.488
  606    H    LYS 103           HN       LYS 103  -5.544   8.441   9.044
  607    HA   LYS 103           HA       LYS 103  -5.497   6.987  11.583
  608    HB2  LYS 103           HB2      LYS 103  -7.821   7.219   9.708
  609    HB3  LYS 103           HB1      LYS 103  -7.815   6.488  11.308
  610    HG2  LYS 103           HG2      LYS 103  -7.103   8.771  12.143
  611    HG3  LYS 103           HG1      LYS 103  -7.490   9.346  10.562
  612    HD2  LYS 103           HD2      LYS 103  -9.664   9.066  10.850
  613    HD3  LYS 103           HD1      LYS 103  -9.579   7.846  12.015
  614    HE2  LYS 103           HE2      LYS 103  -8.822  10.725  12.469
  615    HE3  LYS 103           HE1      LYS 103 -10.218   9.848  13.081
  616    HZ1  LYS 103           HZ1      LYS 103  -8.625  10.030  14.815
  617    HZ2  LYS 103           HZ2      LYS 103  -7.391   9.403  13.886
  618    HZ3  LYS 103           HZ3      LYS 103  -8.683   8.423  14.346
  619    H    TRP 104           HN       TRP 104  -5.220   4.841  11.371
  620    HA   TRP 104           HA       TRP 104  -4.582   3.838   8.760
  621    HB2  TRP 104           HB2      TRP 104  -4.655   2.575  11.515
  622    HB3  TRP 104           HB1      TRP 104  -4.298   1.696  10.019
  623    HD1  TRP 104           HD1      TRP 104  -2.510   2.970  12.812
  624    HE1  TRP 104           HE1      TRP 104  -0.074   3.561  12.216
  625    HE3  TRP 104           HE3      TRP 104  -2.862   3.172   7.700
  626    HZ2  TRP 104           HZ2      TRP 104   1.461   4.115   9.959
  627    HZ3  TRP 104           HZ3      TRP 104  -0.873   3.749   6.425
  628    HH2  TRP 104           HH2      TRP 104   1.259   4.212   7.533
  629    H    PHE 105           HN       PHE 105  -5.814   2.550   7.561
  630    HA   PHE 105           HA       PHE 105  -8.534   2.250   8.140
  631    HB2  PHE 105           HB2      PHE 105  -6.759   1.056   6.018
  632    HB3  PHE 105           HB1      PHE 105  -8.365   0.384   6.264
  633    HD1  PHE 105           HD2      PHE 105 -10.238   2.214   6.511
  634    HD2  PHE 105           HD1      PHE 105  -6.590   2.854   4.289
  635    HE1  PHE 105           HE2      PHE 105 -11.258   3.997   5.186
  636    HE2  PHE 105           HE1      PHE 105  -7.569   4.501   3.112
  637    HZ   PHE 105           HZ       PHE 105  -9.925   5.151   3.477
  638    H    ASP 106           HN       ASP 106  -5.895   0.770   9.285
  639    HA   ASP 106           HA       ASP 106  -6.800  -1.834  10.083
  640    HB2  ASP 106           HB2      ASP 106  -4.423  -1.126  10.011
  641    HB3  ASP 106           HB1      ASP 106  -4.732  -0.016  11.332
  642    H    ASN 107           HN       ASN 107  -7.562   1.348  11.051
  643    HA   ASN 107           HA       ASN 107  -8.725   2.348  12.633
  644    HB2  ASN 107           HB2      ASN 107  -9.757  -0.431  13.080
  645    HB3  ASN 107           HB1      ASN 107 -10.207   0.855  14.192
  646   HD21  ASN 107          HD21      ASN 107 -11.548   2.506  13.487
  647   HD22  ASN 107          HD22      ASN 107 -12.399   2.433  12.005
  648    H    SER 108           HN       SER 108  -6.120   0.804  13.252
  649    HA   SER 108           HA       SER 108  -6.239   1.229  16.111
  650    HB2  SER 108           HB2      SER 108  -3.994   0.055  14.485
  651    HB3  SER 108           HB1      SER 108  -4.191  -0.026  16.242
  652    HG   SER 108           HG       SER 108  -5.081  -1.616  14.345
  653    H    ASN 109           HN       ASN 109  -4.541   2.444  17.086
  654    HA   ASN 109           HA       ASN 109  -4.272   5.028  16.083
  655    HB2  ASN 109           HB2      ASN 109  -3.959   4.407  18.548
  656    HB3  ASN 109           HB1      ASN 109  -2.456   3.669  18.054
  657   HD21  ASN 109          HD21      ASN 109  -1.469   4.960  19.508
  658   HD22  ASN 109          HD22      ASN 109  -1.247   6.623  19.128
  659    H    MET 110           HN       MET 110  -2.687   6.056  14.996
  660    HA   MET 110           HA       MET 110  -0.676   4.483  13.707
  661    HB2  MET 110           HB2      MET 110  -1.756   6.372  12.611
  662    HB3  MET 110           HB1      MET 110  -1.076   7.466  13.801
  663    HG2  MET 110           HG2      MET 110   1.149   7.030  13.013
  664    HG3  MET 110           HG1      MET 110   0.559   5.761  11.938
  665    HE1  MET 110           HE1      MET 110  -2.230   7.263  10.963
  666    HE2  MET 110           HE2      MET 110  -1.176   6.176  10.070
  667    HE3  MET 110           HE3      MET 110  -1.584   7.750   9.396
  668    H    THR 111           HN       THR 111   0.562   3.630  15.295
  669    HA   THR 111           HA       THR 111   1.632   5.306  17.343
  670    HB   THR 111           HB       THR 111   2.559   3.054  18.115
  671    HG1  THR 111           HG1      THR 111   2.059   1.341  17.011
  672   HG21  THR 111          HG21      THR 111  -0.453   3.429  17.802
  673   HG22  THR 111          HG22      THR 111   0.543   4.082  19.087
  674   HG23  THR 111          HG23      THR 111   0.337   2.343  18.939
  675    H    PHE 112           HN       PHE 112   2.611   4.552  14.223
  676    HA   PHE 112           HA       PHE 112   5.398   5.198  14.819
  677    HB2  PHE 112           HB2      PHE 112   4.975   2.580  14.393
  678    HB3  PHE 112           HB1      PHE 112   4.707   3.143  12.799
  679    HD1  PHE 112           HD2      PHE 112   7.307   3.527  15.426
  680    HD2  PHE 112           HD1      PHE 112   6.294   3.375  11.355
  681    HE1  PHE 112           HE2      PHE 112   9.697   3.679  14.862
  682    HE2  PHE 112           HE1      PHE 112   8.709   3.521  10.722
  683    HZ   PHE 112           HZ       PHE 112  10.399   3.693  12.508
  684    H    ASP 113           HN       ASP 113   6.416   6.199  13.033
  685    HA   ASP 113           HA       ASP 113   4.978   6.557  10.590
  686    HB2  ASP 113           HB2      ASP 113   4.682   8.918  10.694
  687    HB3  ASP 113           HB1      ASP 113   3.842   8.216  12.065
  688    H    LYS 114           HN       LYS 114   6.011   7.220   9.001
  689    HA   LYS 114           HA       LYS 114   8.791   8.001   9.430
  690    HB2  LYS 114           HB2      LYS 114   7.600   6.311   7.227
  691    HB3  LYS 114           HB1      LYS 114   9.245   6.914   7.298
  692    HG2  LYS 114           HG2      LYS 114   8.139   5.081   9.396
  693    HG3  LYS 114           HG1      LYS 114   8.885   4.577   7.868
  694    HD2  LYS 114           HD2      LYS 114  10.278   6.358   9.823
  695    HD3  LYS 114           HD1      LYS 114  10.447   4.601   9.813
  696    HE2  LYS 114           HE2      LYS 114  11.175   6.455   7.499
  697    HE3  LYS 114           HE1      LYS 114  12.237   5.553   8.589
  698    HZ1  LYS 114           HZ1      LYS 114  11.554   3.562   7.712
  699    HZ2  LYS 114           HZ2      LYS 114  12.002   4.576   6.466
  700    HZ3  LYS 114           HZ3      LYS 114  10.362   4.295   6.759
  701    H    TRP 115           HN       TRP 115   7.510  10.096   9.405
  702    HA   TRP 115           HA       TRP 115   6.259  10.811   6.909
  703    HB2  TRP 115           HB2      TRP 115   6.609  12.278   9.497
  704    HB3  TRP 115           HB1      TRP 115   5.909  13.058   8.095
  705    HD1  TRP 115           HD1      TRP 115   4.939  11.376  11.014
  706    HE1  TRP 115           HE1      TRP 115   2.441  10.633  10.884
  707    HE3  TRP 115           HE3      TRP 115   4.327  11.897   6.111
  708    HZ2  TRP 115           HZ2      TRP 115   0.511  10.323   8.864
  709    HZ3  TRP 115           HZ3      TRP 115   2.224  11.391   5.109
  710    HH2  TRP 115           HH2      TRP 115   0.317  10.604   6.416
  711    H    THR 116           HN       THR 116   6.782  12.675   5.707
  712    HA   THR 116           HA       THR 116   9.544  13.527   5.963
  713    HB   THR 116           HB       THR 116   9.206  11.984   4.026
  714    HG1  THR 116           HG1      THR 116  10.809  13.125   3.498
  715   HG21  THR 116          HG21      THR 116   7.483  14.217   2.931
  716   HG22  THR 116          HG22      THR 116   6.909  12.622   3.412
  717   HG23  THR 116          HG23      THR 116   7.991  12.785   2.033
  718    H    ASP 117           HN       ASP 117   9.709  15.682   4.622
  719    HA   ASP 117           HA       ASP 117   7.510  17.333   5.569
  720    HB2  ASP 117           HB2      ASP 117   9.810  18.100   6.064
  721    HB3  ASP 117           HB1      ASP 117  10.138  18.205   4.338
  722    H    GLN 118           HN       GLN 118   5.785  17.671   4.254
  723    HA   GLN 118           HA       GLN 118   6.149  18.003   1.460
  724    HB2  GLN 118           HB2      GLN 118   4.930  15.867   2.486
  725    HB3  GLN 118           HB1      GLN 118   3.992  17.212   3.192
  726    HG2  GLN 118           HG2      GLN 118   3.231  17.902   1.569
  727    HG3  GLN 118           HG1      GLN 118   4.111  17.025   0.273
  728   HE21  GLN 118          HE21      GLN 118   1.400  17.083   2.387
  729   HE22  GLN 118          HE22      GLN 118   0.755  15.514   1.997
  730    H    ASP 119           HN       ASP 119   4.102  19.462   1.022
  731    HA   ASP 119           HA       ASP 119   3.855  21.582   2.812
  732    HB2  ASP 119           HB2      ASP 119   2.321  22.419   1.255
  733    HB3  ASP 119           HB1      ASP 119   3.376  21.188   0.472
  734    H    ASP 120           HN       ASP 120   2.540  21.907   4.426
  735    HA   ASP 120           HA       ASP 120   0.324  20.425   5.236
  736    HB2  ASP 120           HB2      ASP 120   1.702  18.512   5.615
  737    HB3  ASP 120           HB1      ASP 120   2.941  19.474   6.406
  738    H    ASP 121           HN       ASP 121  -0.295  22.509   5.639
  739    HA   ASP 121           HA       ASP 121   0.670  23.485   8.230
  740    HB2  ASP 121           HB2      ASP 121   1.046  24.980   6.244
  741    HB3  ASP 121           HB1      ASP 121  -0.686  25.094   6.070
  742    H    GLU 122           HN       GLU 122  -2.164  23.954   6.129
  743    HA   GLU 122           HA       GLU 122  -3.871  23.388   8.366
  744    HB2  GLU 122           HB2      GLU 122  -4.333  24.568   5.648
  745    HB3  GLU 122           HB1      GLU 122  -5.598  24.280   6.838
  746    HG2  GLU 122           HG2      GLU 122  -4.469  25.582   8.337
  747    HG3  GLU 122           HG1      GLU 122  -3.194  26.009   7.197
  748    H    ASP 123           HN       ASP 123  -4.967  23.003   5.256
  749    HA   ASP 123           HA       ASP 123  -5.511  20.160   5.701
  750    HB2  ASP 123           HB2      ASP 123  -7.065  20.327   3.839
  751    HB3  ASP 123           HB1      ASP 123  -7.431  21.543   5.061
  752    H    LEU 124           HN       LEU 124  -4.815  18.530   4.531
  753    HA   LEU 124           HA       LEU 124  -3.190  19.096   2.206
  754    HB2  LEU 124           HB2      LEU 124  -2.040  16.886   2.987
  755    HB3  LEU 124           HB1      LEU 124  -1.490  18.423   3.644
  756    HG   LEU 124           HG       LEU 124  -1.512  16.627   5.246
  757   HD11  LEU 124          HD11      LEU 124  -1.837  18.767   6.200
  758   HD12  LEU 124          HD12      LEU 124  -2.775  17.573   7.089
  759   HD13  LEU 124          HD13      LEU 124  -3.577  18.659   5.958
  760   HD21  LEU 124          HD21      LEU 124  -4.390  16.378   4.571
  761   HD22  LEU 124          HD22      LEU 124  -3.725  15.764   6.082
  762   HD23  LEU 124          HD23      LEU 124  -3.119  15.147   4.541
  763    H    VAL 125           HN       VAL 125  -5.811  18.698   2.114
  764    HA   VAL 125           HA       VAL 125  -6.541  15.930   1.842
  765    HB   VAL 125           HB       VAL 125  -8.152  18.480   1.393
  766   HG11  VAL 125          HG11      VAL 125  -9.207  15.670   1.691
  767   HG12  VAL 125          HG12      VAL 125  -9.149  16.587   0.188
  768   HG13  VAL 125          HG13      VAL 125 -10.168  17.141   1.518
  769   HG21  VAL 125          HG21      VAL 125  -9.133  18.024   3.576
  770   HG22  VAL 125          HG22      VAL 125  -7.374  18.209   3.685
  771   HG23  VAL 125          HG23      VAL 125  -8.099  16.606   3.734
  772    H    ASP 126           HN       ASP 126  -5.192  18.237  -0.085
  773    HA   ASP 126           HA       ASP 126  -6.345  17.513  -2.618
  774    HB2  ASP 126           HB2      ASP 126  -5.498  19.758  -2.285
  775    HB3  ASP 126           HB1      ASP 126  -3.902  19.132  -1.907
  776    H    THR 127           HN       THR 127  -4.069  16.136  -0.667
  777    HA   THR 127           HA       THR 127  -2.967  14.531  -2.849
  778    HB   THR 127           HB       THR 127  -1.266  16.100  -2.241
  779    HG1  THR 127           HG1      THR 127  -0.237  14.062  -0.709
  780   HG21  THR 127          HG21      THR 127  -0.457  16.398   0.071
  781   HG22  THR 127          HG22      THR 127  -1.672  15.234   0.592
  782   HG23  THR 127          HG23      THR 127  -2.195  16.770  -0.062
  783    H    CYS 128           HN       CYS 128  -1.802  12.529  -1.641
  784    HA   CYS 128           HA       CYS 128  -3.671  11.651   0.430
  785    HB2  CYS 128           HB2      CYS 128  -2.522   9.448  -1.155
  786    HB3  CYS 128           HB1      CYS 128  -4.085   9.716  -0.523
  787    H    ALA 129           HN       ALA 129  -2.458   9.175   1.100
  788    HA   ALA 129           HA       ALA 129   0.194  10.073   1.964
  789    HB1  ALA 129           HB1      ALA 129  -0.061   8.635   3.847
  790    HB2  ALA 129           HB2      ALA 129  -1.485   7.886   3.221
  791    HB3  ALA 129           HB3      ALA 129  -1.547   9.582   3.764
  792    H    PHE 130           HN       PHE 130   1.770   9.036   0.840
  793    HA   PHE 130           HA       PHE 130   1.260   6.229   0.346
  794    HB2  PHE 130           HB2      PHE 130   2.838   7.969  -1.580
  795    HB3  PHE 130           HB1      PHE 130   2.645   6.302  -1.570
  796    HD1  PHE 130           HD1      PHE 130  -0.254   8.636  -1.236
  797    HD2  PHE 130           HD2      PHE 130   1.810   5.784  -3.614
  798    HE1  PHE 130           HE1      PHE 130  -2.123   8.596  -2.861
  799    HE2  PHE 130           HE2      PHE 130  -0.046   5.750  -5.210
  800    HZ   PHE 130           HZ       PHE 130  -2.016   7.170  -4.827
  801    H    LEU 131           HN       LEU 131   2.739   5.109   1.110
  802    HA   LEU 131           HA       LEU 131   5.203   6.119   2.186
  803    HB2  LEU 131           HB2      LEU 131   4.291   4.312   3.214
  804    HB3  LEU 131           HB1      LEU 131   4.030   3.452   1.709
  805    HG   LEU 131           HG       LEU 131   6.456   3.209   1.538
  806   HD11  LEU 131          HD11      LEU 131   6.408   4.418   4.218
  807   HD12  LEU 131          HD12      LEU 131   7.289   4.965   2.782
  808   HD13  LEU 131          HD13      LEU 131   7.729   3.448   3.599
  809   HD21  LEU 131          HD21      LEU 131   6.608   1.444   3.141
  810   HD22  LEU 131          HD22      LEU 131   4.977   1.495   2.424
  811   HD23  LEU 131          HD23      LEU 131   5.253   2.147   4.042
  812    H    HIS 132           HN       HIS 132   6.996   6.503   1.191
  813    HA   HIS 132           HA       HIS 132   7.383   5.989  -1.611
  814    HB2  HIS 132           HB2      HIS 132   8.360   7.973  -0.228
  815    HB3  HIS 132           HB1      HIS 132   9.546   6.831   0.299
  816    HD1  HIS 132           HD1      HIS 132  11.163   8.653  -0.965
  817    HD2  HIS 132           HD2      HIS 132   8.911   6.128  -3.298
  818    HE1  HIS 132           HE1      HIS 132  12.208   8.727  -3.229
  819    HE2  HIS 132           HE2      HIS 132  10.479   7.676  -4.667
  820    H    ILE 133           HN       ILE 133   7.919   4.203  -2.391
  821    HA   ILE 133           HA       ILE 133   8.881   1.954  -1.160
  822    HB   ILE 133           HB       ILE 133   8.464   2.970  -3.855
  823   HG12  ILE 133          HG12      ILE 133   6.622   1.804  -2.933
  824   HG13  ILE 133          HG11      ILE 133   7.314   0.744  -4.115
  825   HG21  ILE 133          HG21      ILE 133  10.365   0.723  -3.523
  826   HG22  ILE 133          HG22      ILE 133  10.565   2.202  -4.460
  827   HG23  ILE 133          HG23      ILE 133   9.444   0.945  -4.992
  828   HD11  ILE 133          HD11      ILE 133   6.753  -0.502  -2.231
  829   HD12  ILE 133          HD12      ILE 133   7.484   0.692  -1.178
  830   HD13  ILE 133          HD13      ILE 133   8.527  -0.342  -2.188
  831    H    LYS 134           HN       LYS 134  10.531   4.619  -2.408
  832    HA   LYS 134           HA       LYS 134  13.063   3.228  -2.462
  833    HB2  LYS 134           HB2      LYS 134  12.454   6.115  -2.903
  834    HB3  LYS 134           HB1      LYS 134  14.057   5.425  -3.062
  835    HG2  LYS 134           HG2      LYS 134  11.655   4.672  -4.772
  836    HG3  LYS 134           HG1      LYS 134  12.953   5.741  -5.221
  837    HD2  LYS 134           HD2      LYS 134  13.316   2.855  -4.485
  838    HD3  LYS 134           HD1      LYS 134  13.145   3.476  -6.132
  839    HE2  LYS 134           HE2      LYS 134  14.858   5.041  -5.595
  840    HE3  LYS 134           HE1      LYS 134  15.253   4.142  -4.139
  841    HZ1  LYS 134           HZ1      LYS 134  16.718   3.300  -5.873
  842    HZ2  LYS 134           HZ2      LYS 134  15.435   3.056  -6.914
  843    HZ3  LYS 134           HZ3      LYS 134  15.582   2.106  -5.544
  844    H    THR 135           HN       THR 135  11.702   5.890  -0.520
  845    HA   THR 135           HA       THR 135  14.068   5.575   1.222
  846    HB   THR 135           HB       THR 135  13.510   7.879   2.069
  847    HG1  THR 135           HG1      THR 135  12.063   9.047   1.062
  848   HG21  THR 135          HG21      THR 135  14.122   7.581  -0.871
  849   HG22  THR 135          HG22      THR 135  15.299   7.499   0.441
  850   HG23  THR 135          HG23      THR 135  14.455   9.012   0.103
  851    H    GLY 136           HN       GLY 136  10.690   5.185   1.212
  852    HA2  GLY 136           HA2      GLY 136   9.312   4.377   2.857
  853    HA3  GLY 136           HA1      GLY 136  10.726   4.281   3.920
  854    H    GLU 137           HN       GLU 137   9.289   6.887   2.164
  855    HA   GLU 137           HA       GLU 137   8.936   8.359   4.665
  856    HB2  GLU 137           HB2      GLU 137   9.631   9.188   1.918
  857    HB3  GLU 137           HB1      GLU 137   9.023  10.370   3.060
  858    HG2  GLU 137           HG2      GLU 137  10.913   9.839   4.539
  859    HG3  GLU 137           HG1      GLU 137  11.537   8.712   3.327
  860    H    TRP 138           HN       TRP 138   6.952   9.244   4.990
  861    HA   TRP 138           HA       TRP 138   4.877   8.408   3.105
  862    HB2  TRP 138           HB2      TRP 138   4.590   9.412   5.913
  863    HB3  TRP 138           HB1      TRP 138   3.343   8.682   4.912
  864    HD1  TRP 138           HD1      TRP 138   5.963   6.477   4.123
  865    HE1  TRP 138           HE1      TRP 138   6.159   4.540   5.779
  866    HE3  TRP 138           HE3      TRP 138   3.122   8.295   7.844
  867    HZ2  TRP 138           HZ2      TRP 138   5.214   3.812   8.160
  868    HZ3  TRP 138           HZ3      TRP 138   2.772   6.853   9.865
  869    HH2  TRP 138           HH2      TRP 138   3.792   4.638   9.995
  870    H    LYS 139           HN       LYS 139   3.264   9.717   2.560
  871    HA   LYS 139           HA       LYS 139   3.725  12.640   2.603
  872    HB2  LYS 139           HB2      LYS 139   2.535  10.804   0.546
  873    HB3  LYS 139           HB1      LYS 139   2.220  12.535   0.546
  874    HG2  LYS 139           HG2      LYS 139   4.459  13.023   0.396
  875    HG3  LYS 139           HG1      LYS 139   4.915  11.343   0.588
  876    HD2  LYS 139           HD2      LYS 139   3.363  12.568  -1.736
  877    HD3  LYS 139           HD1      LYS 139   5.074  12.159  -1.795
  878    HE2  LYS 139           HE2      LYS 139   4.455   9.787  -1.407
  879    HE3  LYS 139           HE1      LYS 139   2.763  10.248  -1.485
  880    HZ1  LYS 139           HZ1      LYS 139   4.726  10.652  -3.676
  881    HZ2  LYS 139           HZ2      LYS 139   3.092  11.003  -3.768
  882    HZ3  LYS 139           HZ3      LYS 139   3.597   9.415  -3.644
  883    H    LYS 140           HN       LYS 140   2.117  13.832   2.948
  884    HA   LYS 140           HA       LYS 140   0.104  12.562   4.657
  885    HB2  LYS 140           HB2      LYS 140   0.843  15.436   4.313
  886    HB3  LYS 140           HB1      LYS 140  -0.466  14.880   5.336
  887    HG2  LYS 140           HG2      LYS 140   1.210  13.479   6.536
  888    HG3  LYS 140           HG1      LYS 140   2.456  14.327   5.616
  889    HD2  LYS 140           HD2      LYS 140   1.673  16.381   6.407
  890    HD3  LYS 140           HD1      LYS 140   0.393  15.619   7.356
  891    HE2  LYS 140           HE2      LYS 140   2.170  14.305   8.548
  892    HE3  LYS 140           HE1      LYS 140   3.373  15.317   7.758
  893    HZ1  LYS 140           HZ1      LYS 140   2.949  16.178   9.923
  894    HZ2  LYS 140           HZ2      LYS 140   1.292  16.145   9.686
  895    HZ3  LYS 140           HZ3      LYS 140   2.220  17.270   8.852
  896    H    GLY 141           HN       GLY 141  -2.011  12.438   4.210
  897    HA2  GLY 141           HA2      GLY 141  -3.628  14.204   2.997
  898    HA3  GLY 141           HA1      GLY 141  -2.863  13.375   1.664
  899    H    ASN 142           HN       ASN 142  -5.081  12.970   1.317
  900    HA   ASN 142           HA       ASN 142  -5.815  10.341   2.280
  901    HB2  ASN 142           HB2      ASN 142  -8.266  11.107   2.183
  902    HB3  ASN 142           HB1      ASN 142  -7.358  11.586   3.604
  903   HD21  ASN 142          HD21      ASN 142  -7.144  13.219   0.450
  904   HD22  ASN 142          HD22      ASN 142  -7.951  14.649   0.947
  905    H    CYS 143           HN       CYS 143  -6.546   9.047   0.547
  906    HA   CYS 143           HA       CYS 143  -6.069  10.428  -1.903
  907    HB2  CYS 143           HB2      CYS 143  -5.338   7.901  -1.144
  908    HB3  CYS 143           HB1      CYS 143  -6.580   7.641  -2.378
  909    H    GLU 144           HN       GLU 144  -7.819  11.567  -1.626
  910    HA   GLU 144           HA       GLU 144 -10.324  10.423  -2.552
  911    HB2  GLU 144           HB2      GLU 144  -9.554  13.262  -1.827
  912    HB3  GLU 144           HB1      GLU 144 -11.186  12.708  -2.168
  913    HG2  GLU 144           HG2      GLU 144  -9.510  11.681   0.134
  914    HG3  GLU 144           HG1      GLU 144 -10.707  12.978   0.280
  915    H    VAL 145           HN       VAL 145  -8.115  10.266  -4.219
  916    HA   VAL 145           HA       VAL 145  -8.963  11.864  -6.519
  917    HB   VAL 145           HB       VAL 145  -6.692  12.058  -7.331
  918   HG11  VAL 145          HG11      VAL 145  -5.682  13.470  -5.573
  919   HG12  VAL 145          HG12      VAL 145  -6.942  12.843  -4.476
  920   HG13  VAL 145          HG13      VAL 145  -7.396  13.780  -5.908
  921   HG21  VAL 145          HG21      VAL 145  -4.741  11.310  -6.041
  922   HG22  VAL 145          HG22      VAL 145  -5.762   9.951  -6.511
  923   HG23  VAL 145          HG23      VAL 145  -5.811  10.560  -4.858
  924    H    SER 146           HN       SER 146  -8.523  10.795  -8.534
  925    HA   SER 146           HA       SER 146  -9.202   8.009  -8.307
  926    HB2  SER 146           HB2      SER 146  -8.936   9.703 -10.724
  927    HB3  SER 146           HB1      SER 146  -9.662   8.086 -10.637
  928    HG   SER 146           HG       SER 146 -10.756   9.495  -8.743
  929    H    SER 147           HN       SER 147  -6.305   9.489  -8.437
  930    HA   SER 147           HA       SER 147  -5.013   8.016 -10.491
  931    HB2  SER 147           HB2      SER 147  -3.826   9.613  -8.272
  932    HB3  SER 147           HB1      SER 147  -3.064   9.225  -9.819
  933    HG   SER 147           HG       SER 147  -4.905  10.344 -10.782
  934    H    VAL 148           HN       VAL 148  -6.185   6.429  -8.212
  935    HA   VAL 148           HA       VAL 148  -3.670   5.191  -7.370
  936    HB   VAL 148           HB       VAL 148  -6.217   4.372  -5.975
  937   HG11  VAL 148          HG11      VAL 148  -4.755   3.676  -4.296
  938   HG12  VAL 148          HG12      VAL 148  -3.375   4.361  -5.148
  939   HG13  VAL 148          HG13      VAL 148  -4.263   3.010  -5.846
  940   HG21  VAL 148          HG21      VAL 148  -4.419   6.672  -5.216
  941   HG22  VAL 148          HG22      VAL 148  -5.773   6.040  -4.277
  942   HG23  VAL 148          HG23      VAL 148  -6.066   6.840  -5.821
  943    H    GLU 149           HN       GLU 149  -3.149   3.458  -8.079
  944    HA   GLU 149           HA       GLU 149  -5.041   1.780  -9.560
  945    HB2  GLU 149           HB2      GLU 149  -2.264   2.499 -10.483
  946    HB3  GLU 149           HB1      GLU 149  -3.323   1.265 -11.178
  947    HG2  GLU 149           HG2      GLU 149  -4.916   2.871 -11.825
  948    HG3  GLU 149           HG1      GLU 149  -4.084   4.168 -10.993
  949    H    GLY 150           HN       GLY 150  -3.413   1.792  -6.931
  950    HA2  GLY 150           HA2      GLY 150  -3.286  -1.027  -6.727
  951    HA3  GLY 150           HA1      GLY 150  -1.696  -0.327  -6.962
  952    H    THR 151           HN       THR 151  -3.417  -1.498  -4.655
  953    HA   THR 151           HA       THR 151  -2.231   0.327  -2.750
  954    HB   THR 151           HB       THR 151  -4.562   0.919  -2.577
  955    HG1  THR 151           HG1      THR 151  -4.376  -0.909  -0.488
  956   HG21  THR 151          HG21      THR 151  -5.141  -2.037  -2.328
  957   HG22  THR 151          HG22      THR 151  -5.585  -1.016  -3.702
  958   HG23  THR 151          HG23      THR 151  -6.316  -0.744  -2.116
  959    H    LEU 152           HN       LEU 152  -1.628  -0.658  -0.838
  960    HA   LEU 152           HA       LEU 152  -1.241  -3.510  -1.164
  961    HB2  LEU 152           HB2      LEU 152   0.713  -2.037  -0.517
  962    HB3  LEU 152           HB1      LEU 152  -0.125  -1.746   0.982
  963    HG   LEU 152           HG       LEU 152  -0.400  -4.225   1.156
  964   HD11  LEU 152          HD11      LEU 152   1.427  -5.584   0.394
  965   HD12  LEU 152          HD12      LEU 152   2.045  -4.236  -0.550
  966   HD13  LEU 152          HD13      LEU 152   0.457  -4.947  -0.932
  967   HD21  LEU 152          HD21      LEU 152   1.987  -4.368   2.085
  968   HD22  LEU 152          HD22      LEU 152   0.636  -3.516   2.790
  969   HD23  LEU 152          HD23      LEU 152   1.868  -2.597   1.858
  970    H    CYS 153           HN       CYS 153  -2.226  -4.842   0.038
  971    HA   CYS 153           HA       CYS 153  -4.126  -3.741   1.944
  972    HB2  CYS 153           HB2      CYS 153  -4.120  -6.380   0.613
  973    HB3  CYS 153           HB1      CYS 153  -5.438  -5.650   1.509
  974    H    LYS 154           HN       LYS 154  -4.241  -4.571   3.846
  975    HA   LYS 154           HA       LYS 154  -2.336  -6.599   4.632
  976    HB2  LYS 154           HB2      LYS 154  -1.287  -4.575   5.246
  977    HB3  LYS 154           HB1      LYS 154  -2.794  -3.894   5.871
  978    HG2  LYS 154           HG2      LYS 154  -2.704  -5.423   7.744
  979    HG3  LYS 154           HG1      LYS 154  -1.281  -6.202   7.055
  980    HD2  LYS 154           HD2      LYS 154   0.034  -4.230   7.320
  981    HD3  LYS 154           HD1      LYS 154  -1.388  -3.283   7.761
  982    HE2  LYS 154           HE2      LYS 154  -0.426  -5.646   9.322
  983    HE3  LYS 154           HE1      LYS 154   0.104  -3.991   9.671
  984    HZ1  LYS 154           HZ1      LYS 154  -2.712  -4.945   9.695
  985    HZ2  LYS 154           HZ2      LYS 154  -2.205  -3.379   9.977
  986    HZ3  LYS 154           HZ3      LYS 154  -1.782  -4.613  11.049
  987    H    THR 155           HN       THR 155  -3.192  -7.992   5.990
  988    HA   THR 155           HA       THR 155  -5.792  -7.390   7.126
  989    HB   THR 155           HB       THR 155  -6.157  -8.698   5.053
  990    HG1  THR 155           HG1      THR 155  -7.471  -9.101   6.947
  991   HG21  THR 155          HG21      THR 155  -4.438 -10.800   6.368
  992   HG22  THR 155          HG22      THR 155  -3.975  -9.823   5.005
  993   HG23  THR 155          HG23      THR 155  -5.296 -10.999   4.830
  994    H    ALA 156           HN       ALA 156  -5.797  -7.886   9.221
  995    HA   ALA 156           HA       ALA 156  -3.627  -9.222  10.456
  996    HB1  ALA 156           HB1      ALA 156  -5.087  -7.650  11.684
  997    HB2  ALA 156           HB2      ALA 156  -5.021  -9.286  12.393
  998    HB3  ALA 156           HB3      ALA 156  -6.413  -8.815  11.434
  999    H    ILE 157           HN       ILE 157  -3.476 -11.358  10.884
 1000    HA   ILE 157           HA       ILE 157  -5.611 -12.824   9.749
 1001    HB   ILE 157           HB       ILE 157  -4.017 -14.756   9.899
 1002   HG12  ILE 157          HG12      ILE 157  -2.152 -12.453  10.105
 1003   HG13  ILE 157          HG11      ILE 157  -2.443 -13.626  11.388
 1004   HG21  ILE 157          HG21      ILE 157  -3.528 -12.410   8.055
 1005   HG22  ILE 157          HG22      ILE 157  -4.743 -13.677   7.837
 1006   HG23  ILE 157          HG23      ILE 157  -3.024 -14.074   7.740
 1007   HD11  ILE 157          HD11      ILE 157  -1.755 -15.337  10.000
 1008   HD12  ILE 157          HD12      ILE 157  -0.449 -14.096  10.149
 1009   HD13  ILE 157          HD13      ILE 157  -1.500 -14.197   8.683
 1010    HA   PRO 158           HA       PRO 158  -6.935 -13.708  13.877
 1011    HB2  PRO 158           HB2      PRO 158  -8.805 -15.500  12.497
 1012    HB3  PRO 158           HB1      PRO 158  -9.153 -14.073  13.491
 1013    HG2  PRO 158           HG2      PRO 158  -9.472 -14.076  10.814
 1014    HG3  PRO 158           HG1      PRO 158  -9.050 -12.630  11.741
 1015    HD2  PRO 158           HD2      PRO 158  -7.232 -14.247   9.984
 1016    HD3  PRO 158           HD1      PRO 158  -7.192 -12.571  10.394
 1017    H    TYR 159           HN       TYR 159  -5.541 -15.596  11.818
 1018    HA   TYR 159           HA       TYR 159  -5.720 -18.150  13.067
 1019    HB2  TYR 159           HB2      TYR 159  -3.817 -17.087  10.997
 1020    HB3  TYR 159           HB1      TYR 159  -3.714 -18.765  11.581
 1021    HD1  TYR 159           HD1      TYR 159  -5.667 -16.250   9.947
 1022    HD2  TYR 159           HD2      TYR 159  -5.244 -20.364  10.679
 1023    HE1  TYR 159           HE1      TYR 159  -7.283 -16.673   8.210
 1024    HE2  TYR 159           HE2      TYR 159  -6.905 -20.870   8.938
 1025    HH   TYR 159           HH       TYR 159  -7.922 -18.632   6.668
 1026    H    LYS 160           HN       LYS 160  -3.712 -15.355  13.305
 1027    HA   LYS 160           HA       LYS 160  -1.896 -16.606  15.229
 1028    HB2  LYS 160           HB2      LYS 160  -1.826 -13.882  13.905
 1029    HB3  LYS 160           HB1      LYS 160  -0.641 -14.455  15.060
 1030    HG2  LYS 160           HG2      LYS 160  -1.181 -15.673  12.355
 1031    HG3  LYS 160           HG1      LYS 160   0.151 -14.588  12.740
 1032    HD2  LYS 160           HD2      LYS 160   0.969 -16.267  14.390
 1033    HD3  LYS 160           HD1      LYS 160  -0.321 -17.356  13.866
 1034    HE2  LYS 160           HE2      LYS 160   0.574 -17.296  11.574
 1035    HE3  LYS 160           HE1      LYS 160   1.859 -16.227  12.114
 1036    HZ1  LYS 160           HZ1      LYS 160   2.640 -18.025  13.580
 1037    HZ2  LYS 160           HZ2      LYS 160   2.653 -18.471  11.963
 1038    HZ3  LYS 160           HZ3      LYS 160   1.444 -19.048  12.958
 1039    H    ARG 161           HN       ARG 161  -4.812 -15.658  15.452
 1040    HA   ARG 161           HA       ARG 161  -4.494 -13.930  17.772
 1041    HB2  ARG 161           HB2      ARG 161  -6.055 -13.056  16.091
 1042    HB3  ARG 161           HB1      ARG 161  -6.943 -14.572  16.103
 1043    HG2  ARG 161           HG2      ARG 161  -7.634 -14.187  18.388
 1044    HG3  ARG 161           HG1      ARG 161  -6.684 -12.706  18.454
 1045    HD2  ARG 161           HD2      ARG 161  -8.996 -13.204  16.576
 1046    HD3  ARG 161           HD1      ARG 161  -9.095 -12.298  18.086
 1047    HE   ARG 161           HE       ARG 161  -7.158 -11.405  16.111
 1048   HH11  ARG 161          HH11      ARG 161 -10.412 -10.904  17.493
 1049   HH12  ARG 161          HH12      ARG 161 -10.476  -9.261  17.026
 1050   HH21  ARG 161          HH21      ARG 161  -7.338  -9.152  15.443
 1051   HH22  ARG 161          HH22      ARG 161  -8.736  -8.268  15.861
  Start of MODEL    4
    1    H1   MET  22           HT1      MET  22  -4.003 -21.628   2.903
    2    H2   MET  22           HT2      MET  22  -3.291 -20.213   3.487
    3    H3   MET  22           HT3      MET  22  -4.948 -20.280   3.260
    4    HA   MET  22           HA       MET  22  -5.210 -21.924   4.950
    5    HB2  MET  22           HB2      MET  22  -2.967 -22.965   4.675
    6    HB3  MET  22           HB1      MET  22  -2.244 -21.534   5.387
    7    HG2  MET  22           HG2      MET  22  -2.362 -23.324   7.007
    8    HG3  MET  22           HG1      MET  22  -3.411 -21.989   7.481
    9    HE1  MET  22           HE1      MET  22  -4.068 -24.785   4.729
   10    HE2  MET  22           HE2      MET  22  -4.924 -25.983   5.696
   11    HE3  MET  22           HE3      MET  22  -3.226 -25.638   6.024
   12    H    ASP  23           HN       ASP  23  -2.609 -19.632   5.844
   13    HA   ASP  23           HA       ASP  23  -4.408 -18.345   7.774
   14    HB2  ASP  23           HB2      ASP  23  -1.554 -17.510   7.093
   15    HB3  ASP  23           HB1      ASP  23  -2.483 -17.120   8.519
   16    H    CYS  24           HN       CYS  24  -2.498 -17.669   5.048
   17    HA   CYS  24           HA       CYS  24  -3.992 -15.279   4.426
   18    HB2  CYS  24           HB2      CYS  24  -1.499 -16.501   3.244
   19    HB3  CYS  24           HB1      CYS  24  -2.242 -14.984   2.743
   20    HA   PRO  25           HA       PRO  25  -6.548 -17.376   1.370
   21    HB2  PRO  25           HB2      PRO  25  -5.803 -15.038  -0.326
   22    HB3  PRO  25           HB1      PRO  25  -7.414 -15.706  -0.007
   23    HG2  PRO  25           HG2      PRO  25  -6.735 -13.531   1.216
   24    HG3  PRO  25           HG1      PRO  25  -7.487 -14.840   2.156
   25    HD2  PRO  25           HD2      PRO  25  -4.610 -14.044   2.041
   26    HD3  PRO  25           HD1      PRO  25  -5.604 -14.524   3.434
   27    H    SER  26           HN       SER  26  -3.377 -16.153   0.283
   28    HA   SER  26           HA       SER  26  -3.016 -18.493  -1.321
   29    HB2  SER  26           HB2      SER  26  -4.275 -17.115  -2.902
   30    HB3  SER  26           HB1      SER  26  -3.206 -15.749  -2.627
   31    HG   SER  26           HG       SER  26  -2.815 -18.073  -4.121
   32    H    SER  27           HN       SER  27  -0.784 -18.216  -2.508
   33    HA   SER  27           HA       SER  27   1.154 -17.538  -0.542
   34    HB2  SER  27           HB2      SER  27   2.653 -18.317  -2.517
   35    HB3  SER  27           HB1      SER  27   1.605 -19.499  -1.725
   36    HG   SER  27           HG       SER  27   1.471 -18.416  -4.269
   37    H    THR  28           HN       THR  28  -0.409 -15.871  -3.029
   38    HA   THR  28           HA       THR  28   1.612 -13.983  -3.725
   39    HB   THR  28           HB       THR  28  -1.403 -13.655  -3.802
   40    HG1  THR  28           HG1      THR  28   0.433 -15.013  -5.445
   41   HG21  THR  28          HG21      THR  28  -0.919 -12.157  -5.716
   42   HG22  THR  28          HG22      THR  28   0.807 -12.427  -5.488
   43   HG23  THR  28          HG23      THR  28  -0.120 -11.597  -4.253
   44    H    TRP  29           HN       TRP  29  -0.218 -14.576  -0.979
   45    HA   TRP  29           HA       TRP  29  -0.230 -11.879   0.011
   46    HB2  TRP  29           HB2      TRP  29  -1.321 -14.493   1.010
   47    HB3  TRP  29           HB1      TRP  29  -1.336 -13.021   1.972
   48    HD1  TRP  29           HD1      TRP  29  -2.675 -14.314  -1.337
   49    HE1  TRP  29           HE1      TRP  29  -4.913 -13.132  -1.848
   50    HE3  TRP  29           HE3      TRP  29  -2.699 -11.329   2.553
   51    HZ2  TRP  29           HZ2      TRP  29  -6.461 -11.099  -0.645
   52    HZ3  TRP  29           HZ3      TRP  29  -4.664  -9.696   2.891
   53    HH2  TRP  29           HH2      TRP  29  -6.463  -9.654   1.308
   54    H    ILE  30           HN       ILE  30   1.131 -11.224   1.421
   55    HA   ILE  30           HA       ILE  30   3.329 -12.982   2.221
   56    HB   ILE  30           HB       ILE  30   3.188 -10.009   1.655
   57   HG12  ILE  30          HG12      ILE  30   4.501 -12.329   0.254
   58   HG13  ILE  30          HG11      ILE  30   3.101 -11.433  -0.292
   59   HG21  ILE  30          HG21      ILE  30   4.775 -10.523   3.505
   60   HG22  ILE  30          HG22      ILE  30   5.547  -9.891   2.066
   61   HG23  ILE  30          HG23      ILE  30   5.642 -11.624   2.422
   62   HD11  ILE  30          HD11      ILE  30   5.885 -10.420   0.007
   63   HD12  ILE  30          HD12      ILE  30   4.470  -9.460  -0.462
   64   HD13  ILE  30          HD13      ILE  30   5.021 -10.783  -1.492
   65    H    GLN  31           HN       GLN  31   3.460 -13.399   4.315
   66    HA   GLN  31           HA       GLN  31   1.668 -11.966   6.145
   67    HB2  GLN  31           HB2      GLN  31   1.643 -14.472   5.882
   68    HB3  GLN  31           HB1      GLN  31   3.231 -14.488   6.633
   69    HG2  GLN  31           HG2      GLN  31   2.241 -13.405   8.621
   70    HG3  GLN  31           HG1      GLN  31   0.657 -13.552   7.861
   71   HE21  GLN  31          HE21      GLN  31   3.207 -15.181   9.439
   72   HE22  GLN  31          HE22      GLN  31   2.380 -16.704   9.603
   73    H    PHE  32           HN       PHE  32   2.552 -10.288   7.333
   74    HA   PHE  32           HA       PHE  32   5.291 -10.647   8.157
   75    HB2  PHE  32           HB2      PHE  32   4.833  -8.851   6.512
   76    HB3  PHE  32           HB1      PHE  32   3.775  -8.111   7.706
   77    HD1  PHE  32           HD2      PHE  32   7.164  -9.522   7.488
   78    HD2  PHE  32           HD1      PHE  32   4.655  -6.419   8.923
   79    HE1  PHE  32           HE2      PHE  32   9.144  -8.386   8.425
   80    HE2  PHE  32           HE1      PHE  32   6.629  -5.297   9.894
   81    HZ   PHE  32           HZ       PHE  32   8.881  -6.278   9.598
   82    H    GLN  33           HN       GLN  33   5.530 -10.822  10.252
   83    HA   GLN  33           HA       GLN  33   5.209 -10.961  12.418
   84    HB2  GLN  33           HB2      GLN  33   3.463  -8.519  12.068
   85    HB3  GLN  33           HB1      GLN  33   4.095  -9.116  13.599
   86    HG2  GLN  33           HG2      GLN  33   6.380  -8.759  12.762
   87    HG3  GLN  33           HG1      GLN  33   5.710  -8.096  11.275
   88   HE21  GLN  33          HE21      GLN  33   7.441  -6.874  13.221
   89   HE22  GLN  33          HE22      GLN  33   6.629  -5.473  13.798
   90    H    ASP  34           HN       ASP  34   1.977  -9.825  11.638
   91    HA   ASP  34           HA       ASP  34   0.822 -12.428  12.083
   92    HB2  ASP  34           HB2      ASP  34  -0.662 -11.699  13.934
   93    HB3  ASP  34           HB1      ASP  34   1.030 -11.658  14.402
   94    H    SER  35           HN       SER  35   1.039 -10.365  10.023
   95    HA   SER  35           HA       SER  35  -1.824 -10.023   9.486
   96    HB2  SER  35           HB2      SER  35   0.339  -8.115   8.774
   97    HB3  SER  35           HB1      SER  35  -1.331  -7.888   8.433
   98    HG   SER  35           HG       SER  35   0.029  -7.392  10.749
   99    H    CYS  36           HN       CYS  36  -2.138  -9.705   7.116
  100    HA   CYS  36           HA       CYS  36   0.071 -10.760   5.467
  101    HB2  CYS  36           HB2      CYS  36  -1.980 -12.404   6.141
  102    HB3  CYS  36           HB1      CYS  36  -2.693 -11.493   4.808
  103    H    TYR  37           HN       TYR  37   0.367 -10.111   3.696
  104    HA   TYR  37           HA       TYR  37  -0.869  -7.558   3.001
  105    HB2  TYR  37           HB2      TYR  37   1.893  -8.603   3.153
  106    HB3  TYR  37           HB1      TYR  37   1.593  -7.154   2.293
  107    HD1  TYR  37           HD2      TYR  37   0.661  -5.277   3.439
  108    HD2  TYR  37           HD1      TYR  37   1.861  -8.706   5.320
  109    HE1  TYR  37           HE2      TYR  37   0.614  -4.029   5.635
  110    HE2  TYR  37           HE1      TYR  37   1.865  -7.709   7.485
  111    HH   TYR  37           HH       TYR  37   2.054  -5.176   8.321
  112    H    ILE  38           HN       ILE  38  -1.322  -7.169   0.942
  113    HA   ILE  38           HA       ILE  38  -0.085  -8.652  -1.190
  114    HB   ILE  38           HB       ILE  38  -2.043 -10.068  -0.681
  115   HG12  ILE  38          HG12      ILE  38  -2.299  -8.542  -3.288
  116   HG13  ILE  38          HG11      ILE  38  -1.222  -9.899  -2.992
  117   HG21  ILE  38          HG21      ILE  38  -4.301  -9.208  -1.091
  118   HG22  ILE  38          HG22      ILE  38  -3.625  -7.583  -1.255
  119   HG23  ILE  38          HG23      ILE  38  -3.505  -8.444   0.285
  120   HD11  ILE  38          HD11      ILE  38  -3.127 -11.337  -2.625
  121   HD12  ILE  38          HD12      ILE  38  -3.183 -10.589  -4.227
  122   HD13  ILE  38          HD13      ILE  38  -4.224  -9.987  -2.920
  123    H    PHE  39           HN       PHE  39   0.215  -7.448  -2.996
  124    HA   PHE  39           HA       PHE  39  -1.009  -4.766  -2.952
  125    HB2  PHE  39           HB2      PHE  39   1.617  -5.399  -3.488
  126    HB3  PHE  39           HB1      PHE  39   0.880  -5.512  -5.020
  127    HD1  PHE  39           HD1      PHE  39   0.523  -3.103  -2.258
  128    HD2  PHE  39           HD2      PHE  39   1.134  -3.750  -6.368
  129    HE1  PHE  39           HE1      PHE  39   0.591  -0.679  -2.607
  130    HE2  PHE  39           HE2      PHE  39   1.200  -1.312  -6.738
  131    HZ   PHE  39           HZ       PHE  39   0.921   0.217  -4.872
  132    H    LEU  40           HN       LEU  40  -2.620  -4.523  -4.293
  133    HA   LEU  40           HA       LEU  40  -2.321  -6.080  -6.550
  134    HB2  LEU  40           HB2      LEU  40  -4.962  -5.810  -6.639
  135    HB3  LEU  40           HB1      LEU  40  -4.181  -7.241  -6.004
  136    HG   LEU  40           HG       LEU  40  -6.073  -6.624  -4.659
  137   HD11  LEU  40          HD11      LEU  40  -5.058  -6.378  -2.451
  138   HD12  LEU  40          HD12      LEU  40  -3.534  -5.992  -3.255
  139   HD13  LEU  40          HD13      LEU  40  -4.227  -7.575  -3.456
  140   HD21  LEU  40          HD21      LEU  40  -6.247  -4.493  -3.443
  141   HD22  LEU  40          HD22      LEU  40  -6.250  -4.240  -5.182
  142   HD23  LEU  40          HD23      LEU  40  -4.789  -3.923  -4.251
  143    H    GLN  41           HN       GLN  41  -1.536  -4.725  -7.821
  144    HA   GLN  41           HA       GLN  41  -2.559  -2.124  -8.003
  145    HB2  GLN  41           HB2      GLN  41  -0.918  -3.671 -10.007
  146    HB3  GLN  41           HB1      GLN  41  -1.398  -1.991 -10.244
  147    HG2  GLN  41           HG2      GLN  41  -0.377  -1.435  -8.086
  148    HG3  GLN  41           HG1      GLN  41   0.203  -3.089  -7.972
  149   HE21  GLN  41          HE21      GLN  41   2.395  -2.329  -7.820
  150   HE22  GLN  41          HE22      GLN  41   3.124  -1.668  -9.251
  151    H    GLU  42           HN       GLU  42  -4.640  -2.118  -8.093
  152    HA   GLU  42           HA       GLU  42  -6.085  -3.120 -10.457
  153    HB2  GLU  42           HB2      GLU  42  -7.019  -2.414  -7.689
  154    HB3  GLU  42           HB1      GLU  42  -8.115  -2.836  -8.978
  155    HG2  GLU  42           HG2      GLU  42  -5.968  -4.670  -7.909
  156    HG3  GLU  42           HG1      GLU  42  -7.639  -4.718  -7.365
  157    H    ALA  43           HN       ALA  43  -6.617  -1.523 -11.829
  158    HA   ALA  43           HA       ALA  43  -6.453   1.273 -10.943
  159    HB1  ALA  43           HB1      ALA  43  -6.693   1.798 -13.316
  160    HB2  ALA  43           HB2      ALA  43  -6.902   0.084 -13.680
  161    HB3  ALA  43           HB3      ALA  43  -5.367   0.671 -13.038
  162    H    ILE  44           HN       ILE  44  -8.239   2.162 -10.178
  163    HA   ILE  44           HA       ILE  44 -10.807   1.602 -11.406
  164    HB   ILE  44           HB       ILE  44 -12.002   1.303  -9.322
  165   HG12  ILE  44          HG12      ILE  44  -9.381   1.152  -7.861
  166   HG13  ILE  44          HG11      ILE  44 -10.381   2.602  -7.916
  167   HG21  ILE  44          HG21      ILE  44 -11.208  -0.926  -8.594
  168   HG22  ILE  44          HG22      ILE  44  -9.748  -0.688  -9.530
  169   HG23  ILE  44          HG23      ILE  44 -11.307  -0.776 -10.346
  170   HD11  ILE  44          HD11      ILE  44 -11.185  -0.073  -6.818
  171   HD12  ILE  44          HD12      ILE  44 -12.211   1.356  -6.938
  172   HD13  ILE  44          HD13      ILE  44 -10.794   1.380  -5.884
  173    H    LYS  45           HN       LYS  45 -12.408   3.202 -10.875
  174    HA   LYS  45           HA       LYS  45 -11.344   5.768 -10.676
  175    HB2  LYS  45           HB2      LYS  45 -13.376   5.212 -11.955
  176    HB3  LYS  45           HB1      LYS  45 -14.201   4.817 -10.450
  177    HG2  LYS  45           HG2      LYS  45 -14.858   7.013 -11.164
  178    HG3  LYS  45           HG1      LYS  45 -13.850   7.114  -9.701
  179    HD2  LYS  45           HD2      LYS  45 -11.924   7.664 -11.030
  180    HD3  LYS  45           HD1      LYS  45 -12.854   7.506 -12.517
  181    HE2  LYS  45           HE2      LYS  45 -14.243   9.322 -11.840
  182    HE3  LYS  45           HE1      LYS  45 -13.366   9.497 -10.325
  183    HZ1  LYS  45           HZ1      LYS  45 -11.415  10.121 -11.498
  184    HZ2  LYS  45           HZ2      LYS  45 -12.655  11.100 -12.100
  185    HZ3  LYS  45           HZ3      LYS  45 -12.097   9.794 -13.000
  186    H    VAL  46           HN       VAL  46 -10.578   6.441  -8.817
  187    HA   VAL  46           HA       VAL  46 -11.830   5.604  -6.337
  188    HB   VAL  46           HB       VAL  46  -9.143   6.938  -6.744
  189   HG11  VAL  46          HG11      VAL  46 -10.280   5.705  -4.258
  190   HG12  VAL  46          HG12      VAL  46 -10.168   7.415  -4.557
  191   HG13  VAL  46          HG13      VAL  46  -8.697   6.448  -4.438
  192   HG21  VAL  46          HG21      VAL  46  -9.195   4.721  -7.682
  193   HG22  VAL  46          HG22      VAL  46  -9.873   4.089  -6.185
  194   HG23  VAL  46          HG23      VAL  46  -8.217   4.729  -6.205
  195    H    GLU  47           HN       GLU  47 -13.196   6.828  -5.592
  196    HA   GLU  47           HA       GLU  47 -13.316   9.668  -6.187
  197    HB2  GLU  47           HB2      GLU  47 -15.236   7.787  -4.781
  198    HB3  GLU  47           HB1      GLU  47 -15.445   9.495  -5.102
  199    HG2  GLU  47           HG2      GLU  47 -14.778   7.758  -7.131
  200    HG3  GLU  47           HG1      GLU  47 -16.508   7.815  -6.696
  201    H    SER  48           HN       SER  48 -12.891   7.382  -3.590
  202    HA   SER  48           HA       SER  48 -11.953   9.444  -1.797
  203    HB2  SER  48           HB2      SER  48 -14.116   7.431  -1.273
  204    HB3  SER  48           HB1      SER  48 -13.171   8.262  -0.037
  205    HG   SER  48           HG       SER  48 -13.930  10.158  -0.682
  206    H    ILE  49           HN       ILE  49 -10.735   8.352  -0.034
  207    HA   ILE  49           HA       ILE  49  -9.167   6.346  -1.135
  208    HB   ILE  49           HB       ILE  49  -8.386   7.898   0.608
  209   HG12  ILE  49          HG12      ILE  49  -8.136   4.937   1.115
  210   HG13  ILE  49          HG11      ILE  49  -7.335   5.907   0.133
  211   HG21  ILE  49          HG21      ILE  49  -8.906   7.224   2.919
  212   HG22  ILE  49          HG22      ILE  49 -10.239   6.268   2.164
  213   HG23  ILE  49          HG23      ILE  49 -10.189   8.063   1.990
  214   HD11  ILE  49          HD11      ILE  49  -5.928   5.656   2.184
  215   HD12  ILE  49          HD12      ILE  49  -7.133   6.656   3.026
  216   HD13  ILE  49          HD13      ILE  49  -6.243   7.320   1.701
  217    H    GLU  50           HN       GLU  50 -11.918   6.364   0.615
  218    HA   GLU  50           HA       GLU  50 -12.339   3.719   1.486
  219    HB2  GLU  50           HB2      GLU  50 -14.332   5.593   0.220
  220    HB3  GLU  50           HB1      GLU  50 -14.765   4.124   1.073
  221    HG2  GLU  50           HG2      GLU  50 -13.322   6.451   2.310
  222    HG3  GLU  50           HG1      GLU  50 -15.061   6.172   2.412
  223    H    ASP  51           HN       ASP  51 -12.511   5.073  -1.802
  224    HA   ASP  51           HA       ASP  51 -13.715   2.857  -3.013
  225    HB2  ASP  51           HB2      ASP  51 -12.191   5.238  -3.898
  226    HB3  ASP  51           HB1      ASP  51 -12.628   4.044  -5.048
  227    H    VAL  52           HN       VAL  52 -10.484   3.773  -2.175
  228    HA   VAL  52           HA       VAL  52  -9.417   1.862  -4.044
  229    HB   VAL  52           HB       VAL  52  -8.194   3.956  -4.114
  230   HG11  VAL  52          HG11      VAL  52  -8.169   4.051  -1.250
  231   HG12  VAL  52          HG12      VAL  52  -9.113   4.924  -2.473
  232   HG13  VAL  52          HG13      VAL  52  -7.355   5.154  -2.405
  233   HG21  VAL  52          HG21      VAL  52  -5.950   3.330  -3.087
  234   HG22  VAL  52          HG22      VAL  52  -6.621   2.230  -4.269
  235   HG23  VAL  52          HG23      VAL  52  -6.799   1.863  -2.532
  236    H    ARG  53           HN       ARG  53  -9.881   2.489  -0.688
  237    HA   ARG  53           HA       ARG  53  -8.376   0.377   0.212
  238    HB2  ARG  53           HB2      ARG  53  -9.549   0.986   2.400
  239    HB3  ARG  53           HB1      ARG  53  -9.091   2.423   1.511
  240    HG2  ARG  53           HG2      ARG  53 -11.075   2.718   2.498
  241    HG3  ARG  53           HG1      ARG  53 -11.412   2.305   0.778
  242    HD2  ARG  53           HD2      ARG  53 -12.828   0.668   1.655
  243    HD3  ARG  53           HD1      ARG  53 -11.248   0.131   1.643
  244    HE   ARG  53           HE       ARG  53 -10.817   0.166   3.856
  245   HH11  ARG  53          HH11      ARG  53 -14.057   1.503   3.339
  246   HH12  ARG  53          HH12      ARG  53 -14.690   0.878   4.789
  247   HH21  ARG  53          HH21      ARG  53 -11.694  -0.609   5.868
  248   HH22  ARG  53          HH22      ARG  53 -13.328  -0.278   6.284
  249    H    ASN  54           HN       ASN  54 -11.387   0.643  -1.302
  250    HA   ASN  54           HA       ASN  54 -12.847  -1.628  -0.467
  251    HB2  ASN  54           HB2      ASN  54 -12.752  -0.013  -2.939
  252    HB3  ASN  54           HB1      ASN  54 -13.684  -1.516  -2.976
  253   HD21  ASN  54          HD21      ASN  54 -14.665   1.104  -3.383
  254   HD22  ASN  54          HD22      ASN  54 -15.779   1.472  -2.124
  255    H    GLN  55           HN       GLN  55 -10.285  -1.157  -2.599
  256    HA   GLN  55           HA       GLN  55 -10.353  -3.561  -4.096
  257    HB2  GLN  55           HB2      GLN  55  -7.915  -1.972  -3.298
  258    HB3  GLN  55           HB1      GLN  55  -8.005  -3.150  -4.598
  259    HG2  GLN  55           HG2      GLN  55  -9.630  -1.739  -5.745
  260    HG3  GLN  55           HG1      GLN  55  -9.542  -0.585  -4.464
  261   HE21  GLN  55          HE21      GLN  55  -8.825   1.059  -5.772
  262   HE22  GLN  55          HE22      GLN  55  -7.201   1.121  -6.379
  263    H    CYS  56           HN       CYS  56  -8.970  -2.752  -0.967
  264    HA   CYS  56           HA       CYS  56  -7.764  -5.308  -0.719
  265    HB2  CYS  56           HB2      CYS  56  -8.027  -3.094   1.313
  266    HB3  CYS  56           HB1      CYS  56  -7.187  -4.588   1.413
  267    H    THR  57           HN       THR  57 -10.597  -3.619   0.553
  268    HA   THR  57           HA       THR  57 -11.207  -5.603   2.438
  269    HB   THR  57           HB       THR  57 -13.410  -4.494   2.576
  270    HG1  THR  57           HG1      THR  57 -13.809  -2.764   1.258
  271   HG21  THR  57          HG21      THR  57 -12.514  -2.302   3.313
  272   HG22  THR  57          HG22      THR  57 -11.003  -2.716   2.480
  273   HG23  THR  57          HG23      THR  57 -11.529  -3.670   3.859
  274    H    ASP  58           HN       ASP  58 -11.626  -5.332  -0.810
  275    HA   ASP  58           HA       ASP  58 -13.707  -7.173  -1.407
  276    HB2  ASP  58           HB2      ASP  58 -12.704  -5.671  -3.103
  277    HB3  ASP  58           HB1      ASP  58 -11.192  -6.538  -2.962
  278    H    HIS  59           HN       HIS  59 -10.496  -7.578  -0.247
  279    HA   HIS  59           HA       HIS  59 -10.508 -10.440  -0.888
  280    HB2  HIS  59           HB2      HIS  59  -8.096  -8.748  -0.119
  281    HB3  HIS  59           HB1      HIS  59  -8.175 -10.449  -0.455
  282    HD1  HIS  59           HD1      HIS  59  -7.935 -11.211  -2.858
  283    HD2  HIS  59           HD2      HIS  59  -8.476  -7.127  -2.501
  284    HE1  HIS  59           HE1      HIS  59  -7.367 -10.216  -5.136
  285    HE2  HIS  59           HE2      HIS  59  -8.208  -7.902  -4.927
  286    H    GLY  60           HN       GLY  60 -11.611  -8.677   1.456
  287    HA2  GLY  60           HA2      GLY  60 -11.990  -9.180   3.680
  288    HA3  GLY  60           HA1      GLY  60 -11.031 -10.645   3.414
  289    H    ALA  61           HN       ALA  61  -9.786  -7.666   2.546
  290    HA   ALA  61           HA       ALA  61  -8.010  -7.553   4.893
  291    HB1  ALA  61           HB1      ALA  61  -6.775  -8.415   2.939
  292    HB2  ALA  61           HB2      ALA  61  -6.213  -6.798   3.367
  293    HB3  ALA  61           HB3      ALA  61  -7.297  -7.021   1.996
  294    H    ASP  62           HN       ASP  62  -6.911  -5.178   4.722
  295    HA   ASP  62           HA       ASP  62  -8.755  -3.284   3.553
  296    HB2  ASP  62           HB2      ASP  62  -9.132  -3.689   6.177
  297    HB3  ASP  62           HB1      ASP  62  -7.714  -2.646   6.299
  298    H    MET  63           HN       MET  63  -7.505  -1.050   3.793
  299    HA   MET  63           HA       MET  63  -5.069  -1.621   2.452
  300    HB2  MET  63           HB2      MET  63  -6.010   1.046   3.498
  301    HB3  MET  63           HB1      MET  63  -4.534   0.820   2.570
  302    HG2  MET  63           HG2      MET  63  -5.836  -0.012   0.690
  303    HG3  MET  63           HG1      MET  63  -7.286   0.205   1.682
  304    HE1  MET  63           HE1      MET  63  -4.295   2.172  -0.284
  305    HE2  MET  63           HE2      MET  63  -4.098   2.511   1.430
  306    HE3  MET  63           HE3      MET  63  -4.649   3.770   0.340
  307    H    ILE  64           HN       ILE  64  -3.034  -1.201   2.879
  308    HA   ILE  64           HA       ILE  64  -1.749  -2.331   4.924
  309    HB   ILE  64           HB       ILE  64  -0.533  -1.914   3.066
  310   HG12  ILE  64          HG12      ILE  64   0.357   0.118   5.020
  311   HG13  ILE  64          HG11      ILE  64   0.938  -1.593   4.953
  312   HG21  ILE  64          HG21      ILE  64  -0.102   0.277   2.055
  313   HG22  ILE  64          HG22      ILE  64  -1.319   0.969   3.143
  314   HG23  ILE  64          HG23      ILE  64  -1.765  -0.279   1.971
  315   HD11  ILE  64          HD11      ILE  64   2.638  -0.073   4.142
  316   HD12  ILE  64          HD12      ILE  64   1.496   0.617   2.972
  317   HD13  ILE  64          HD13      ILE  64   2.003  -1.067   2.838
  318    H    SER  65           HN       SER  65  -0.477  -1.707   6.730
  319    HA   SER  65           HA       SER  65  -0.815   0.864   7.881
  320    HB2  SER  65           HB2      SER  65  -2.804  -0.255   8.685
  321    HB3  SER  65           HB1      SER  65  -1.842  -1.655   9.188
  322    HG   SER  65           HG       SER  65  -1.812   0.964  10.254
  323    H    ILE  66           HN       ILE  66   0.942   1.341   9.017
  324    HA   ILE  66           HA       ILE  66   3.001  -0.727   9.364
  325    HB   ILE  66           HB       ILE  66   3.195   2.262   8.957
  326   HG12  ILE  66          HG12      ILE  66   3.925  -0.091   7.177
  327   HG13  ILE  66          HG11      ILE  66   2.529   0.943   6.951
  328   HG21  ILE  66          HG21      ILE  66   5.540   2.049   9.045
  329   HG22  ILE  66          HG22      ILE  66   5.414   0.296   9.152
  330   HG23  ILE  66          HG23      ILE  66   4.856   1.287  10.489
  331   HD11  ILE  66          HD11      ILE  66   5.389   1.827   6.770
  332   HD12  ILE  66          HD12      ILE  66   3.952   2.787   6.398
  333   HD13  ILE  66          HD13      ILE  66   4.351   1.368   5.425
  334    H    HIS  67           HN       HIS  67   3.235  -1.271  11.371
  335    HA   HIS  67           HA       HIS  67   2.756   0.814  13.338
  336    HB2  HIS  67           HB2      HIS  67   2.526  -2.181  13.611
  337    HB3  HIS  67           HB1      HIS  67   2.562  -1.106  15.003
  338    HD1  HIS  67           HD1      HIS  67   0.345  -0.139  15.713
  339    HD2  HIS  67           HD2      HIS  67   0.228  -1.636  11.840
  340    HE1  HIS  67           HE1      HIS  67  -2.031   0.062  15.003
  341    HE2  HIS  67           HE2      HIS  67  -2.146  -1.297  12.893
  342    H    ASN  68           HN       ASN  68   5.291  -0.350  11.649
  343    HA   ASN  68           HA       ASN  68   7.197   0.411  13.649
  344    HB2  ASN  68           HB2      ASN  68   7.366  -2.447  12.600
  345    HB3  ASN  68           HB1      ASN  68   8.499  -1.674  13.673
  346   HD21  ASN  68          HD21      ASN  68   5.417  -3.202  13.359
  347   HD22  ASN  68          HD22      ASN  68   5.217  -3.549  15.031
  348    H    GLU  69           HN       GLU  69   9.474   0.379  12.713
  349    HA   GLU  69           HA       GLU  69   9.447   1.085   9.999
  350    HB2  GLU  69           HB2      GLU  69  11.821   1.038  10.142
  351    HB3  GLU  69           HB1      GLU  69  11.192   1.982  11.509
  352    HG2  GLU  69           HG2      GLU  69  11.547  -0.039  12.837
  353    HG3  GLU  69           HG1      GLU  69  12.246  -0.822  11.452
  354    H    GLU  70           HN       GLU  70   9.858  -1.900  11.799
  355    HA   GLU  70           HA       GLU  70  11.081  -3.426   9.978
  356    HB2  GLU  70           HB2      GLU  70   9.598  -3.582  12.377
  357    HB3  GLU  70           HB1      GLU  70   8.990  -4.822  11.362
  358    HG2  GLU  70           HG2      GLU  70  11.877  -4.370  12.159
  359    HG3  GLU  70           HG1      GLU  70  10.803  -5.598  12.822
  360    H    GLU  71           HN       GLU  71   7.745  -2.446  10.404
  361    HA   GLU  71           HA       GLU  71   6.587  -4.004   8.291
  362    HB2  GLU  71           HB2      GLU  71   5.378  -2.764  10.399
  363    HB3  GLU  71           HB1      GLU  71   5.518  -1.464   9.328
  364    HG2  GLU  71           HG2      GLU  71   3.371  -2.805   9.362
  365    HG3  GLU  71           HG1      GLU  71   4.001  -2.314   7.729
  366    H    ASN  72           HN       ASN  72   7.600  -0.625   8.740
  367    HA   ASN  72           HA       ASN  72   6.674   0.382   6.329
  368    HB2  ASN  72           HB2      ASN  72   7.439   1.764   8.237
  369    HB3  ASN  72           HB1      ASN  72   9.076   1.211   7.934
  370   HD21  ASN  72          HD21      ASN  72  10.263   2.040   6.309
  371   HD22  ASN  72          HD22      ASN  72   9.715   3.297   5.264
  372    H    ALA  73           HN       ALA  73   9.850  -0.774   7.227
  373    HA   ALA  73           HA       ALA  73  10.903  -0.490   4.626
  374    HB1  ALA  73           HB1      ALA  73  12.883  -1.488   5.576
  375    HB2  ALA  73           HB2      ALA  73  11.946  -1.948   7.038
  376    HB3  ALA  73           HB3      ALA  73  12.206  -0.263   6.670
  377    H    PHE  74           HN       PHE  74   9.207  -3.004   6.319
  378    HA   PHE  74           HA       PHE  74   9.746  -5.261   4.789
  379    HB2  PHE  74           HB2      PHE  74   8.130  -5.492   6.784
  380    HB3  PHE  74           HB1      PHE  74   7.247  -4.247   5.958
  381    HD1  PHE  74           HD2      PHE  74   8.496  -7.635   5.020
  382    HD2  PHE  74           HD1      PHE  74   5.422  -4.821   5.429
  383    HE1  PHE  74           HE2      PHE  74   6.872  -9.274   4.132
  384    HE2  PHE  74           HE1      PHE  74   3.888  -6.218   4.662
  385    HZ   PHE  74           HZ       PHE  74   4.488  -8.589   3.921
  386    H    ILE  75           HN       ILE  75   7.321  -2.805   4.498
  387    HA   ILE  75           HA       ILE  75   5.769  -3.820   2.288
  388    HB   ILE  75           HB       ILE  75   6.096  -0.984   3.269
  389   HG12  ILE  75          HG12      ILE  75   5.471  -2.536   5.093
  390   HG13  ILE  75          HG11      ILE  75   4.240  -1.340   4.852
  391   HG21  ILE  75          HG21      ILE  75   5.112  -1.054   1.162
  392   HG22  ILE  75          HG22      ILE  75   3.851  -0.665   2.341
  393   HG23  ILE  75          HG23      ILE  75   3.983  -2.302   1.668
  394   HD11  ILE  75          HD11      ILE  75   2.962  -2.985   3.606
  395   HD12  ILE  75          HD12      ILE  75   3.330  -3.519   5.256
  396   HD13  ILE  75          HD13      ILE  75   4.241  -4.159   3.875
  397    H    LEU  76           HN       LEU  76   8.210  -1.661   2.806
  398    HA   LEU  76           HA       LEU  76   8.456  -0.394   0.442
  399    HB2  LEU  76           HB2      LEU  76   9.456  -0.391   2.822
  400    HB3  LEU  76           HB1      LEU  76  10.844  -1.047   2.042
  401    HG   LEU  76           HG       LEU  76  10.189   1.017   0.390
  402   HD11  LEU  76          HD11      LEU  76   9.063   2.750   1.516
  403   HD12  LEU  76          HD12      LEU  76   8.956   1.722   2.956
  404   HD13  LEU  76          HD13      LEU  76   8.133   1.245   1.490
  405   HD21  LEU  76          HD21      LEU  76  11.434   1.638   3.049
  406   HD22  LEU  76          HD22      LEU  76  11.433   2.577   1.530
  407   HD23  LEU  76          HD23      LEU  76  12.303   1.043   1.601
  408    H    ASP  77           HN       ASP  77  10.175  -3.247   1.523
  409    HA   ASP  77           HA       ASP  77  11.421  -3.646  -1.169
  410    HB2  ASP  77           HB2      ASP  77  12.608  -4.190   0.929
  411    HB3  ASP  77           HB1      ASP  77  11.425  -5.425   1.254
  412    H    THR  78           HN       THR  78   8.763  -4.672   0.594
  413    HA   THR  78           HA       THR  78   8.689  -7.286  -0.502
  414    HB   THR  78           HB       THR  78   6.872  -5.705   1.233
  415    HG1  THR  78           HG1      THR  78   8.609  -6.356   2.257
  416   HG21  THR  78          HG21      THR  78   5.591  -7.759   1.649
  417   HG22  THR  78          HG22      THR  78   6.552  -8.576   0.406
  418   HG23  THR  78          HG23      THR  78   5.489  -7.240  -0.036
  419    H    LEU  79           HN       LEU  79   7.304  -4.282  -1.005
  420    HA   LEU  79           HA       LEU  79   5.236  -4.799  -2.566
  421    HB2  LEU  79           HB2      LEU  79   6.529  -2.744  -1.621
  422    HB3  LEU  79           HB1      LEU  79   6.976  -2.557  -3.276
  423    HG   LEU  79           HG       LEU  79   5.077  -1.296  -3.085
  424   HD11  LEU  79          HD11      LEU  79   4.660  -3.121  -4.724
  425   HD12  LEU  79          HD12      LEU  79   3.203  -2.401  -4.024
  426   HD13  LEU  79          HD13      LEU  79   3.776  -3.961  -3.437
  427   HD21  LEU  79          HD21      LEU  79   3.182  -1.906  -1.529
  428   HD22  LEU  79          HD22      LEU  79   4.721  -1.568  -0.789
  429   HD23  LEU  79          HD23      LEU  79   4.200  -3.249  -0.966
  430    H    LYS  80           HN       LYS  80   8.458  -3.863  -3.501
  431    HA   LYS  80           HA       LYS  80   8.277  -4.518  -6.231
  432    HB2  LYS  80           HB2      LYS  80  10.601  -3.998  -4.476
  433    HB3  LYS  80           HB1      LYS  80  10.701  -3.991  -6.254
  434    HG2  LYS  80           HG2      LYS  80  10.112  -1.823  -6.169
  435    HG3  LYS  80           HG1      LYS  80   8.562  -2.383  -5.541
  436    HD2  LYS  80           HD2      LYS  80   9.392  -0.859  -4.063
  437    HD3  LYS  80           HD1      LYS  80   9.522  -2.427  -3.308
  438    HE2  LYS  80           HE2      LYS  80  11.861  -2.637  -3.834
  439    HE3  LYS  80           HE1      LYS  80  11.884  -1.091  -4.689
  440    HZ1  LYS  80           HZ1      LYS  80  12.851  -1.069  -2.442
  441    HZ2  LYS  80           HZ2      LYS  80  11.376  -1.452  -1.760
  442    HZ3  LYS  80           HZ3      LYS  80  11.592   0.020  -2.529
  443    H    LYS  81           HN       LYS  81   9.462  -6.482  -3.417
  444    HA   LYS  81           HA       LYS  81  10.946  -8.244  -4.842
  445    HB2  LYS  81           HB2      LYS  81  11.261  -9.170  -2.780
  446    HB3  LYS  81           HB1      LYS  81  10.848  -7.554  -2.382
  447    HG2  LYS  81           HG2      LYS  81   8.670  -8.131  -2.120
  448    HG3  LYS  81           HG1      LYS  81   8.970  -9.817  -2.401
  449    HD2  LYS  81           HD2      LYS  81  10.412  -8.326  -0.186
  450    HD3  LYS  81           HD1      LYS  81   8.992  -9.361   0.104
  451    HE2  LYS  81           HE2      LYS  81  10.279 -11.089  -1.127
  452    HE3  LYS  81           HE1      LYS  81  11.679 -10.061  -0.970
  453    HZ1  LYS  81           HZ1      LYS  81  11.675 -11.607   0.905
  454    HZ2  LYS  81           HZ2      LYS  81  10.125 -11.122   1.324
  455    HZ3  LYS  81           HZ3      LYS  81  11.399 -10.045   1.469
  456    H    GLN  82           HN       GLN  82   7.546  -8.407  -3.834
  457    HA   GLN  82           HA       GLN  82   7.289 -11.044  -5.129
  458    HB2  GLN  82           HB2      GLN  82   6.593 -10.682  -2.821
  459    HB3  GLN  82           HB1      GLN  82   5.387  -9.535  -3.374
  460    HG2  GLN  82           HG2      GLN  82   4.240 -11.598  -3.054
  461    HG3  GLN  82           HG1      GLN  82   4.450 -11.400  -4.777
  462   HE21  GLN  82          HE21      GLN  82   5.775 -13.040  -1.966
  463   HE22  GLN  82          HE22      GLN  82   6.383 -14.388  -2.825
  464    H    TRP  83           HN       TRP  83   5.955  -7.797  -5.069
  465    HA   TRP  83           HA       TRP  83   4.261  -8.496  -7.318
  466    HB2  TRP  83           HB2      TRP  83   3.976  -6.143  -5.388
  467    HB3  TRP  83           HB1      TRP  83   2.803  -6.707  -6.568
  468    HD1  TRP  83           HD1      TRP  83   1.963  -9.485  -5.942
  469    HE1  TRP  83           HE1      TRP  83   1.248 -10.304  -3.570
  470    HE3  TRP  83           HE3      TRP  83   4.094  -5.920  -3.226
  471    HZ2  TRP  83           HZ2      TRP  83   1.540  -9.482  -0.931
  472    HZ3  TRP  83           HZ3      TRP  83   3.870  -5.902  -0.732
  473    HH2  TRP  83           HH2      TRP  83   2.611  -7.622   0.400
  474    H    LYS  84           HN       LYS  84   3.844  -5.888  -8.235
  475    HA   LYS  84           HA       LYS  84   6.185  -5.456  -9.819
  476    HB2  LYS  84           HB2      LYS  84   3.810  -3.647  -9.410
  477    HB3  LYS  84           HB1      LYS  84   5.007  -3.512 -10.686
  478    HG2  LYS  84           HG2      LYS  84   4.255  -5.493 -11.724
  479    HG3  LYS  84           HG1      LYS  84   3.244  -5.917 -10.342
  480    HD2  LYS  84           HD2      LYS  84   1.822  -5.013 -12.070
  481    HD3  LYS  84           HD1      LYS  84   1.939  -3.846 -10.753
  482    HE2  LYS  84           HE2      LYS  84   3.632  -2.601 -12.027
  483    HE3  LYS  84           HE1      LYS  84   3.449  -3.744 -13.355
  484    HZ1  LYS  84           HZ1      LYS  84   1.106  -3.089 -13.509
  485    HZ2  LYS  84           HZ2      LYS  84   2.133  -1.770 -13.725
  486    HZ3  LYS  84           HZ3      LYS  84   1.341  -1.979 -12.258
  487    H    GLY  85           HN       GLY  85   4.668  -3.012  -7.824
  488    HA2  GLY  85           HA2      GLY  85   5.438  -1.985  -6.292
  489    HA3  GLY  85           HA1      GLY  85   6.968  -2.110  -6.227
  490    HA   PRO  86           HA       PRO  86   5.788   1.521  -8.786
  491    HB2  PRO  86           HB2      PRO  86   4.010   2.942  -7.375
  492    HB3  PRO  86           HB1      PRO  86   3.651   1.425  -8.288
  493    HG2  PRO  86           HG2      PRO  86   3.800   1.687  -5.344
  494    HG3  PRO  86           HG1      PRO  86   2.776   0.677  -6.402
  495    HD2  PRO  86           HD2      PRO  86   5.280  -0.056  -5.211
  496    HD3  PRO  86           HD1      PRO  86   4.104  -0.923  -6.198
  497    H    ASP  87           HN       ASP  87   6.106   3.977  -7.918
  498    HA   ASP  87           HA       ASP  87   8.606   3.800  -6.429
  499    HB2  ASP  87           HB2      ASP  87   8.059   5.426  -8.250
  500    HB3  ASP  87           HB1      ASP  87   7.187   6.361  -7.054
  501    H    ASP  88           HN       ASP  88   5.449   4.878  -5.957
  502    HA   ASP  88           HA       ASP  88   5.788   4.434  -3.119
  503    HB2  ASP  88           HB2      ASP  88   4.552   6.442  -2.425
  504    HB3  ASP  88           HB1      ASP  88   6.140   6.762  -3.041
  505    H    ILE  89           HN       ILE  89   4.279   3.606  -2.087
  506    HA   ILE  89           HA       ILE  89   1.897   2.689  -3.596
  507    HB   ILE  89           HB       ILE  89   1.673   0.959  -1.927
  508   HG12  ILE  89          HG12      ILE  89   2.978   2.653  -0.461
  509   HG13  ILE  89          HG11      ILE  89   2.701   1.093   0.166
  510   HG21  ILE  89          HG21      ILE  89   3.693  -0.249  -2.391
  511   HG22  ILE  89          HG22      ILE  89   4.431   1.229  -3.020
  512   HG23  ILE  89          HG23      ILE  89   3.030   0.503  -3.840
  513   HD11  ILE  89          HD11      ILE  89   5.053   2.031   0.439
  514   HD12  ILE  89          HD12      ILE  89   5.105   2.269  -1.286
  515   HD13  ILE  89          HD13      ILE  89   5.124   0.629  -0.640
  516    H    LEU  90           HN       LEU  90  -0.229   2.825  -2.503
  517    HA   LEU  90           HA       LEU  90  -0.231   5.073  -0.862
  518    HB2  LEU  90           HB2      LEU  90  -2.271   3.663  -2.417
  519    HB3  LEU  90           HB1      LEU  90  -2.698   3.559  -0.837
  520    HG   LEU  90           HG       LEU  90  -2.249   6.223  -2.088
  521   HD11  LEU  90          HD11      LEU  90  -4.711   4.582  -1.632
  522   HD12  LEU  90          HD12      LEU  90  -3.966   5.052  -3.175
  523   HD13  LEU  90          HD13      LEU  90  -4.675   6.277  -2.133
  524   HD21  LEU  90          HD21      LEU  90  -2.067   6.211   0.309
  525   HD22  LEU  90          HD22      LEU  90  -3.593   5.347   0.435
  526   HD23  LEU  90          HD23      LEU  90  -3.563   7.002  -0.203
  527    H    LEU  91           HN       LEU  91  -0.490   5.214   1.245
  528    HA   LEU  91           HA       LEU  91  -0.130   2.793   2.818
  529    HB2  LEU  91           HB2      LEU  91  -0.389   5.725   3.665
  530    HB3  LEU  91           HB1      LEU  91  -0.717   4.440   4.561
  531    HG   LEU  91           HG       LEU  91   1.193   4.232   5.420
  532   HD11  LEU  91          HD11      LEU  91   3.045   3.230   4.272
  533   HD12  LEU  91          HD12      LEU  91   2.192   3.393   2.747
  534   HD13  LEU  91          HD13      LEU  91   1.523   2.379   4.048
  535   HD21  LEU  91          HD21      LEU  91   1.680   6.501   4.825
  536   HD22  LEU  91          HD22      LEU  91   2.450   5.954   3.317
  537   HD23  LEU  91          HD23      LEU  91   3.086   5.485   4.904
  538    H    GLY  92           HN       GLY  92  -1.537   2.494   4.451
  539    HA2  GLY  92           HA2      GLY  92  -4.170   2.856   3.387
  540    HA3  GLY  92           HA1      GLY  92  -3.852   1.599   4.528
  541    H    MET  93           HN       MET  93  -3.558   5.065   4.246
  542    HA   MET  93           HA       MET  93  -4.534   5.172   6.868
  543    HB2  MET  93           HB2      MET  93  -2.786   6.115   7.741
  544    HB3  MET  93           HB1      MET  93  -1.938   5.814   6.229
  545    HG2  MET  93           HG2      MET  93  -2.626   8.026   5.415
  546    HG3  MET  93           HG1      MET  93  -3.466   8.305   6.918
  547    HE1  MET  93           HE1      MET  93   1.070   7.604   6.971
  548    HE2  MET  93           HE2      MET  93   0.025   7.240   5.580
  549    HE3  MET  93           HE3      MET  93  -0.154   6.338   7.083
  550    H    PHE  94           HN       PHE  94  -5.877   6.890   7.219
  551    HA   PHE  94           HA       PHE  94  -6.464   8.352   4.790
  552    HB2  PHE  94           HB2      PHE  94  -8.836   7.977   5.072
  553    HB3  PHE  94           HB1      PHE  94  -7.946   6.534   5.027
  554    HD1  PHE  94           HD1      PHE  94  -7.675   5.345   6.890
  555    HD2  PHE  94           HD2      PHE  94 -10.180   8.597   7.005
  556    HE1  PHE  94           HE1      PHE  94  -8.771   4.308   8.848
  557    HE2  PHE  94           HE2      PHE  94 -11.323   7.682   8.990
  558    HZ   PHE  94           HZ       PHE  94 -10.540   5.432   9.883
  559    H    TYR  95           HN       TYR  95  -7.264  10.195   5.023
  560    HA   TYR  95           HA       TYR  95  -6.592  11.404   7.574
  561    HB2  TYR  95           HB2      TYR  95  -5.545  12.480   5.597
  562    HB3  TYR  95           HB1      TYR  95  -7.140  12.869   4.973
  563    HD1  TYR  95           HD1      TYR  95  -5.755  13.106   8.364
  564    HD2  TYR  95           HD2      TYR  95  -7.364  15.200   5.065
  565    HE1  TYR  95           HE1      TYR  95  -5.697  15.142   9.686
  566    HE2  TYR  95           HE2      TYR  95  -7.304  17.303   6.359
  567    HH   TYR  95           HH       TYR  95  -7.213  18.065   8.663
  568    H    ASP  96           HN       ASP  96  -8.108  11.235   8.852
  569    HA   ASP  96           HA       ASP  96 -10.852  11.405   8.172
  570    HB2  ASP  96           HB2      ASP  96  -9.999  10.068   9.934
  571    HB3  ASP  96           HB1      ASP  96  -9.391  11.525  10.727
  572    H    THR  97           HN       THR  97 -11.686  13.505   7.881
  573    HA   THR  97           HA       THR  97 -10.073  15.713   8.761
  574    HB   THR  97           HB       THR  97 -11.726  17.034   7.531
  575    HG1  THR  97           HG1      THR  97 -13.529  16.051   6.987
  576   HG21  THR  97          HG21      THR  97  -9.686  16.240   6.454
  577   HG22  THR  97          HG22      THR  97 -11.010  16.108   5.283
  578   HG23  THR  97          HG23      THR  97 -10.455  14.690   6.186
  579    H    ASP  98           HN       ASP  98 -12.469  13.952  10.038
  580    HA   ASP  98           HA       ASP  98 -14.021  16.022  11.328
  581    HB2  ASP  98           HB2      ASP  98 -14.802  13.661  10.792
  582    HB3  ASP  98           HB1      ASP  98 -13.860  13.141  12.175
  583    H    ASP  99           HN       ASP  99 -11.622  13.725  12.343
  584    HA   ASP  99           HA       ASP  99 -11.141  15.143  14.899
  585    HB2  ASP  99           HB2      ASP  99  -9.990  12.658  13.718
  586    HB3  ASP  99           HB1      ASP  99  -9.302  13.390  15.151
  587    H    ALA 100           HN       ALA 100  -9.964  14.735  11.745
  588    HA   ALA 100           HA       ALA 100  -8.358  15.400  10.571
  589    HB1  ALA 100           HB1      ALA 100  -7.777  17.538  12.642
  590    HB2  ALA 100           HB2      ALA 100  -8.951  17.698  11.337
  591    HB3  ALA 100           HB3      ALA 100  -7.234  17.543  10.965
  592    H    SER 101           HN       SER 101  -7.752  13.284  11.248
  593    HA   SER 101           HA       SER 101  -4.988  13.355  12.171
  594    HB2  SER 101           HB2      SER 101  -6.969  11.299  13.019
  595    HB3  SER 101           HB1      SER 101  -5.373  11.511  13.645
  596    HG   SER 101           HG       SER 101  -6.296  13.778  14.163
  597    H    PHE 102           HN       PHE 102  -3.908  11.507  11.392
  598    HA   PHE 102           HA       PHE 102  -5.114  10.281   9.070
  599    HB2  PHE 102           HB2      PHE 102  -2.280  10.172  10.096
  600    HB3  PHE 102           HB1      PHE 102  -2.884   9.387   8.657
  601    HD1  PHE 102           HD1      PHE 102  -3.796  10.746   6.877
  602    HD2  PHE 102           HD2      PHE 102  -1.606  12.344  10.119
  603    HE1  PHE 102           HE1      PHE 102  -3.348  12.834   5.579
  604    HE2  PHE 102           HE2      PHE 102  -1.136  14.375   8.877
  605    HZ   PHE 102           HZ       PHE 102  -1.986  14.655   6.631
  606    H    LYS 103           HN       LYS 103  -5.746   8.324   9.094
  607    HA   LYS 103           HA       LYS 103  -5.485   6.852  11.614
  608    HB2  LYS 103           HB2      LYS 103  -7.897   7.083   9.831
  609    HB3  LYS 103           HB1      LYS 103  -7.835   6.328  11.418
  610    HG2  LYS 103           HG2      LYS 103  -6.969   8.576  12.152
  611    HG3  LYS 103           HG1      LYS 103  -7.600   9.196  10.677
  612    HD2  LYS 103           HD2      LYS 103  -9.810   8.709  11.130
  613    HD3  LYS 103           HD1      LYS 103  -9.538   7.643  12.413
  614    HE2  LYS 103           HE2      LYS 103  -8.555   9.837  13.657
  615    HE3  LYS 103           HE1      LYS 103  -9.329  10.637  12.378
  616    HZ1  LYS 103           HZ1      LYS 103 -10.937  10.497  14.184
  617    HZ2  LYS 103           HZ2      LYS 103 -10.727   8.846  14.267
  618    HZ3  LYS 103           HZ3      LYS 103 -11.461   9.504  12.923
  619    H    TRP 104           HN       TRP 104  -5.341   4.642  11.370
  620    HA   TRP 104           HA       TRP 104  -4.560   3.746   8.733
  621    HB2  TRP 104           HB2      TRP 104  -4.597   2.452  11.460
  622    HB3  TRP 104           HB1      TRP 104  -4.271   1.573   9.959
  623    HD1  TRP 104           HD1      TRP 104  -2.501   2.803  12.755
  624    HE1  TRP 104           HE1      TRP 104  -0.051   3.295  12.208
  625    HE3  TRP 104           HE3      TRP 104  -2.802   3.058   7.653
  626    HZ2  TRP 104           HZ2      TRP 104   1.537   3.819   9.957
  627    HZ3  TRP 104           HZ3      TRP 104  -0.769   3.570   6.392
  628    HH2  TRP 104           HH2      TRP 104   1.361   3.944   7.521
  629    H    PHE 105           HN       PHE 105  -5.736   2.470   7.461
  630    HA   PHE 105           HA       PHE 105  -8.427   2.051   8.036
  631    HB2  PHE 105           HB2      PHE 105  -6.628   1.063   5.857
  632    HB3  PHE 105           HB1      PHE 105  -8.182   0.276   6.076
  633    HD1  PHE 105           HD2      PHE 105 -10.172   2.004   6.431
  634    HD2  PHE 105           HD1      PHE 105  -6.572   2.886   4.235
  635    HE1  PHE 105           HE2      PHE 105 -11.290   3.789   5.168
  636    HE2  PHE 105           HE1      PHE 105  -7.626   4.517   3.109
  637    HZ   PHE 105           HZ       PHE 105 -10.001   5.058   3.484
  638    H    ASP 106           HN       ASP 106  -5.682   0.535   9.009
  639    HA   ASP 106           HA       ASP 106  -6.513  -2.147   9.589
  640    HB2  ASP 106           HB2      ASP 106  -4.175  -1.543   9.544
  641    HB3  ASP 106           HB1      ASP 106  -4.403  -0.356  10.813
  642    H    ASN 107           HN       ASN 107  -7.332   0.873  10.854
  643    HA   ASN 107           HA       ASN 107  -8.767   1.611  12.365
  644    HB2  ASN 107           HB2      ASN 107  -9.357  -1.296  12.976
  645    HB3  ASN 107           HB1      ASN 107 -10.251   0.060  13.650
  646   HD21  ASN 107          HD21      ASN 107 -11.576   1.275  12.267
  647   HD22  ASN 107          HD22      ASN 107 -12.109   0.658  10.760
  648    H    SER 108           HN       SER 108  -5.985   0.525  12.976
  649    HA   SER 108           HA       SER 108  -6.197   0.762  15.880
  650    HB2  SER 108           HB2      SER 108  -3.868  -0.210  14.240
  651    HB3  SER 108           HB1      SER 108  -4.071  -0.366  15.991
  652    HG   SER 108           HG       SER 108  -4.848  -1.950  14.014
  653    H    ASN 109           HN       ASN 109  -4.494   2.044  16.901
  654    HA   ASN 109           HA       ASN 109  -4.314   4.666  15.939
  655    HB2  ASN 109           HB2      ASN 109  -3.989   4.076  18.398
  656    HB3  ASN 109           HB1      ASN 109  -2.486   3.318  17.935
  657   HD21  ASN 109          HD21      ASN 109  -1.561   4.628  19.448
  658   HD22  ASN 109          HD22      ASN 109  -1.308   6.299  19.091
  659    H    MET 110           HN       MET 110  -2.667   5.826  14.973
  660    HA   MET 110           HA       MET 110  -0.662   4.314  13.586
  661    HB2  MET 110           HB2      MET 110  -1.753   6.249  12.547
  662    HB3  MET 110           HB1      MET 110  -1.102   7.295  13.794
  663    HG2  MET 110           HG2      MET 110   1.129   6.962  13.014
  664    HG3  MET 110           HG1      MET 110   0.606   5.697  11.902
  665    HE1  MET 110           HE1      MET 110  -1.050   6.085   9.945
  666    HE2  MET 110           HE2      MET 110  -1.516   7.662   9.331
  667    HE3  MET 110           HE3      MET 110  -2.200   7.086  10.841
  668    H    THR 111           HN       THR 111   0.527   3.410  15.147
  669    HA   THR 111           HA       THR 111   1.559   4.957  17.307
  670    HB   THR 111           HB       THR 111   2.449   2.687  17.952
  671    HG1  THR 111           HG1      THR 111   2.110   1.064  16.656
  672   HG21  THR 111          HG21      THR 111  -0.542   2.950  17.413
  673   HG22  THR 111          HG22      THR 111   0.294   3.560  18.825
  674   HG23  THR 111          HG23      THR 111   0.195   1.826  18.548
  675    H    PHE 112           HN       PHE 112   2.562   3.971  14.177
  676    HA   PHE 112           HA       PHE 112   5.293   4.879  14.733
  677    HB2  PHE 112           HB2      PHE 112   5.064   2.240  14.368
  678    HB3  PHE 112           HB1      PHE 112   4.725   2.678  12.768
  679    HD1  PHE 112           HD2      PHE 112   7.326   3.400  15.318
  680    HD2  PHE 112           HD1      PHE 112   6.226   3.027  11.307
  681    HE1  PHE 112           HE2      PHE 112   9.680   3.754  14.696
  682    HE2  PHE 112           HE1      PHE 112   8.620   3.387  10.591
  683    HZ   PHE 112           HZ       PHE 112  10.327   3.757  12.323
  684    H    ASP 113           HN       ASP 113   6.307   5.823  12.877
  685    HA   ASP 113           HA       ASP 113   4.806   6.232  10.490
  686    HB2  ASP 113           HB2      ASP 113   4.519   8.554  10.650
  687    HB3  ASP 113           HB1      ASP 113   3.713   7.847  12.042
  688    H    LYS 114           HN       LYS 114   5.849   7.044   8.912
  689    HA   LYS 114           HA       LYS 114   8.614   7.778   9.442
  690    HB2  LYS 114           HB2      LYS 114   7.432   6.244   7.141
  691    HB3  LYS 114           HB1      LYS 114   9.063   6.874   7.207
  692    HG2  LYS 114           HG2      LYS 114   8.001   4.868   9.174
  693    HG3  LYS 114           HG1      LYS 114   8.830   4.498   7.652
  694    HD2  LYS 114           HD2      LYS 114  10.018   6.140   9.842
  695    HD3  LYS 114           HD1      LYS 114  10.326   4.424   9.569
  696    HE2  LYS 114           HE2      LYS 114  10.947   6.666   7.620
  697    HE3  LYS 114           HE1      LYS 114  12.087   5.676   8.564
  698    HZ1  LYS 114           HZ1      LYS 114  11.235   3.800   7.223
  699    HZ2  LYS 114           HZ2      LYS 114  12.081   4.990   6.421
  700    HZ3  LYS 114           HZ3      LYS 114  10.404   4.973   6.304
  701    H    TRP 115           HN       TRP 115   7.330   9.874   9.544
  702    HA   TRP 115           HA       TRP 115   6.175  10.803   7.068
  703    HB2  TRP 115           HB2      TRP 115   6.468  12.021   9.764
  704    HB3  TRP 115           HB1      TRP 115   5.819  12.945   8.427
  705    HD1  TRP 115           HD1      TRP 115   4.774  10.991  11.140
  706    HE1  TRP 115           HE1      TRP 115   2.265  10.295  10.886
  707    HE3  TRP 115           HE3      TRP 115   4.265  12.058   6.312
  708    HZ2  TRP 115           HZ2      TRP 115   0.368  10.247   8.792
  709    HZ3  TRP 115           HZ3      TRP 115   2.170  11.703   5.217
  710    HH2  TRP 115           HH2      TRP 115   0.223  10.800   6.402
  711    H    THR 116           HN       THR 116   6.960  12.242   5.693
  712    HA   THR 116           HA       THR 116   9.599  13.355   6.244
  713    HB   THR 116           HB       THR 116   9.475  11.907   4.226
  714    HG1  THR 116           HG1      THR 116  10.859  13.080   3.413
  715   HG21  THR 116          HG21      THR 116   8.247  12.663   2.215
  716   HG22  THR 116          HG22      THR 116   7.526  13.963   3.161
  717   HG23  THR 116          HG23      THR 116   7.149  12.285   3.542
  718    H    ASP 117           HN       ASP 117   9.754  15.582   5.100
  719    HA   ASP 117           HA       ASP 117   7.483  17.115   6.092
  720    HB2  ASP 117           HB2      ASP 117   9.769  17.895   6.643
  721    HB3  ASP 117           HB1      ASP 117  10.079  18.132   4.926
  722    H    GLN 118           HN       GLN 118   5.717  17.642   4.724
  723    HA   GLN 118           HA       GLN 118   6.260  17.641   1.950
  724    HB2  GLN 118           HB2      GLN 118   4.777  15.850   3.184
  725    HB3  GLN 118           HB1      GLN 118   3.921  17.369   3.570
  726    HG2  GLN 118           HG2      GLN 118   3.332  17.809   1.835
  727    HG3  GLN 118           HG1      GLN 118   4.295  16.768   0.740
  728   HE21  GLN 118          HE21      GLN 118   1.336  17.159   2.422
  729   HE22  GLN 118          HE22      GLN 118   0.724  15.544   2.154
  730    H    ASP 119           HN       ASP 119   4.527  19.028   1.057
  731    HA   ASP 119           HA       ASP 119   4.437  21.650   2.072
  732    HB2  ASP 119           HB2      ASP 119   3.714  22.100  -0.117
  733    HB3  ASP 119           HB1      ASP 119   4.682  20.583  -0.017
  734    H    ASP 120           HN       ASP 120   2.437  22.779   2.065
  735    HA   ASP 120           HA       ASP 120   0.286  23.284   2.359
  736    HB2  ASP 120           HB2      ASP 120  -0.166  20.754   1.456
  737    HB3  ASP 120           HB1      ASP 120  -0.726  20.603   3.113
  738    H    ASP 121           HN       ASP 121  -1.458  22.874   4.216
  739    HA   ASP 121           HA       ASP 121   0.171  22.994   6.670
  740    HB2  ASP 121           HB2      ASP 121  -1.980  24.955   5.893
  741    HB3  ASP 121           HB1      ASP 121  -1.158  24.932   7.442
  742    H    GLU 122           HN       GLU 122  -3.280  23.634   6.179
  743    HA   GLU 122           HA       GLU 122  -3.833  21.959   8.463
  744    HB2  GLU 122           HB2      GLU 122  -5.589  23.836   6.904
  745    HB3  GLU 122           HB1      GLU 122  -5.940  23.099   8.459
  746    HG2  GLU 122           HG2      GLU 122  -3.736  25.031   7.886
  747    HG3  GLU 122           HG1      GLU 122  -5.264  25.449   8.663
  748    H    ASP 123           HN       ASP 123  -5.133  22.536   5.219
  749    HA   ASP 123           HA       ASP 123  -6.317  19.869   5.328
  750    HB2  ASP 123           HB2      ASP 123  -7.745  20.502   3.536
  751    HB3  ASP 123           HB1      ASP 123  -7.958  21.677   4.844
  752    H    LEU 124           HN       LEU 124  -5.144  18.419   4.601
  753    HA   LEU 124           HA       LEU 124  -3.890  18.922   2.078
  754    HB2  LEU 124           HB2      LEU 124  -2.498  16.815   2.797
  755    HB3  LEU 124           HB1      LEU 124  -2.010  18.421   3.292
  756    HG   LEU 124           HG       LEU 124  -1.760  16.644   4.986
  757   HD11  LEU 124          HD11      LEU 124  -1.869  18.910   5.746
  758   HD12  LEU 124          HD12      LEU 124  -2.682  17.853   6.896
  759   HD13  LEU 124          HD13      LEU 124  -3.627  18.845   5.791
  760   HD21  LEU 124          HD21      LEU 124  -3.869  15.922   6.213
  761   HD22  LEU 124          HD22      LEU 124  -3.551  15.236   4.624
  762   HD23  LEU 124          HD23      LEU 124  -4.735  16.519   4.778
  763    H    VAL 125           HN       VAL 125  -6.357  18.447   1.889
  764    HA   VAL 125           HA       VAL 125  -7.009  15.649   1.828
  765    HB   VAL 125           HB       VAL 125  -8.670  18.127   1.189
  766   HG11  VAL 125          HG11      VAL 125 -10.652  16.738   1.212
  767   HG12  VAL 125          HG12      VAL 125  -9.686  15.311   1.553
  768   HG13  VAL 125          HG13      VAL 125  -9.526  16.125  -0.007
  769   HG21  VAL 125          HG21      VAL 125  -8.641  16.303   3.570
  770   HG22  VAL 125          HG22      VAL 125  -9.745  17.664   3.342
  771   HG23  VAL 125          HG23      VAL 125  -8.006  17.945   3.514
  772    H    ASP 126           HN       ASP 126  -5.627  17.834  -0.174
  773    HA   ASP 126           HA       ASP 126  -6.648  16.786  -2.709
  774    HB2  ASP 126           HB2      ASP 126  -6.192  19.161  -2.605
  775    HB3  ASP 126           HB1      ASP 126  -4.537  18.864  -2.112
  776    H    THR 127           HN       THR 127  -4.368  15.939  -0.542
  777    HA   THR 127           HA       THR 127  -2.910  14.356  -2.510
  778    HB   THR 127           HB       THR 127  -1.329  15.962  -1.744
  779    HG1  THR 127           HG1      THR 127  -0.616  14.021   0.107
  780   HG21  THR 127          HG21      THR 127  -2.475  16.861   0.185
  781   HG22  THR 127          HG22      THR 127  -0.847  16.277   0.690
  782   HG23  THR 127          HG23      THR 127  -2.274  15.310   0.995
  783    H    CYS 128           HN       CYS 128  -1.806  12.498  -1.180
  784    HA   CYS 128           HA       CYS 128  -3.717  11.447   0.764
  785    HB2  CYS 128           HB2      CYS 128  -2.612   9.372  -0.980
  786    HB3  CYS 128           HB1      CYS 128  -4.203   9.602  -0.354
  787    H    ALA 129           HN       ALA 129  -2.474   8.996   1.314
  788    HA   ALA 129           HA       ALA 129   0.189   9.941   2.077
  789    HB1  ALA 129           HB1      ALA 129  -1.450   9.416   3.921
  790    HB2  ALA 129           HB2      ALA 129   0.041   8.495   3.936
  791    HB3  ALA 129           HB3      ALA 129  -1.417   7.719   3.378
  792    H    PHE 130           HN       PHE 130   1.728   8.966   0.942
  793    HA   PHE 130           HA       PHE 130   1.284   6.163   0.354
  794    HB2  PHE 130           HB2      PHE 130   2.847   7.902  -1.610
  795    HB3  PHE 130           HB1      PHE 130   2.560   6.260  -1.594
  796    HD1  PHE 130           HD1      PHE 130  -0.197   8.754  -1.199
  797    HD2  PHE 130           HD2      PHE 130   1.633   5.751  -3.580
  798    HE1  PHE 130           HE1      PHE 130  -2.103   8.796  -2.774
  799    HE2  PHE 130           HE2      PHE 130  -0.261   5.804  -5.129
  800    HZ   PHE 130           HZ       PHE 130  -2.125   7.337  -4.727
  801    H    LEU 131           HN       LEU 131   2.752   5.077   1.085
  802    HA   LEU 131           HA       LEU 131   5.244   6.072   2.100
  803    HB2  LEU 131           HB2      LEU 131   4.288   4.255   3.103
  804    HB3  LEU 131           HB1      LEU 131   4.054   3.415   1.587
  805    HG   LEU 131           HG       LEU 131   6.514   3.216   1.451
  806   HD11  LEU 131          HD11      LEU 131   6.360   4.335   4.152
  807   HD12  LEU 131          HD12      LEU 131   7.270   4.943   2.759
  808   HD13  LEU 131          HD13      LEU 131   7.712   3.405   3.537
  809   HD21  LEU 131          HD21      LEU 131   6.633   1.413   3.009
  810   HD22  LEU 131          HD22      LEU 131   5.023   1.472   2.234
  811   HD23  LEU 131          HD23      LEU 131   5.240   2.095   3.871
  812    H    HIS 132           HN       HIS 132   6.986   6.471   1.080
  813    HA   HIS 132           HA       HIS 132   7.382   5.938  -1.736
  814    HB2  HIS 132           HB2      HIS 132   8.262   7.918  -0.341
  815    HB3  HIS 132           HB1      HIS 132   9.471   6.822   0.229
  816    HD1  HIS 132           HD1      HIS 132  10.701   9.069  -1.114
  817    HD2  HIS 132           HD2      HIS 132   9.279   5.865  -3.294
  818    HE1  HIS 132           HE1      HIS 132  11.964   9.110  -3.230
  819    HE2  HIS 132           HE2      HIS 132  10.574   7.536  -4.671
  820    H    ILE 133           HN       ILE 133   8.116   4.233  -2.565
  821    HA   ILE 133           HA       ILE 133   8.903   1.947  -1.227
  822    HB   ILE 133           HB       ILE 133   8.549   2.919  -3.932
  823   HG12  ILE 133          HG12      ILE 133   6.675   1.775  -3.069
  824   HG13  ILE 133          HG11      ILE 133   7.447   0.713  -4.189
  825   HG21  ILE 133          HG21      ILE 133  10.630   2.134  -4.510
  826   HG22  ILE 133          HG22      ILE 133   9.517   0.856  -5.054
  827   HG23  ILE 133          HG23      ILE 133  10.429   0.664  -3.588
  828   HD11  ILE 133          HD11      ILE 133   7.559   0.650  -1.230
  829   HD12  ILE 133          HD12      ILE 133   8.557  -0.380  -2.274
  830   HD13  ILE 133          HD13      ILE 133   6.789  -0.517  -2.310
  831    H    LYS 134           HN       LYS 134  10.709   4.547  -2.306
  832    HA   LYS 134           HA       LYS 134  13.242   3.038  -2.306
  833    HB2  LYS 134           HB2      LYS 134  12.869   5.996  -2.463
  834    HB3  LYS 134           HB1      LYS 134  14.403   5.173  -2.629
  835    HG2  LYS 134           HG2      LYS 134  13.474   4.073  -4.657
  836    HG3  LYS 134           HG1      LYS 134  12.060   5.128  -4.493
  837    HD2  LYS 134           HD2      LYS 134  13.607   7.076  -4.478
  838    HD3  LYS 134           HD1      LYS 134  14.929   5.970  -4.847
  839    HE2  LYS 134           HE2      LYS 134  12.469   6.407  -6.427
  840    HE3  LYS 134           HE1      LYS 134  14.033   7.112  -6.833
  841    HZ1  LYS 134           HZ1      LYS 134  13.585   5.131  -8.166
  842    HZ2  LYS 134           HZ2      LYS 134  13.410   4.183  -6.798
  843    HZ3  LYS 134           HZ3      LYS 134  14.912   4.863  -7.169
  844    H    THR 135           HN       THR 135  11.899   5.725  -0.471
  845    HA   THR 135           HA       THR 135  14.148   5.506   1.348
  846    HB   THR 135           HB       THR 135  13.525   7.818   1.967
  847    HG1  THR 135           HG1      THR 135  11.871   8.761   1.065
  848   HG21  THR 135          HG21      THR 135  15.098   7.393   0.092
  849   HG22  THR 135          HG22      THR 135  14.143   8.852  -0.170
  850   HG23  THR 135          HG23      THR 135  13.736   7.376  -1.029
  851    H    GLY 136           HN       GLY 136  10.686   5.401   1.199
  852    HA2  GLY 136           HA2      GLY 136   9.250   4.390   2.776
  853    HA3  GLY 136           HA1      GLY 136  10.637   4.276   3.865
  854    H    GLU 137           HN       GLU 137   9.272   6.934   2.165
  855    HA   GLU 137           HA       GLU 137   8.869   8.330   4.711
  856    HB2  GLU 137           HB2      GLU 137   9.535   9.223   1.974
  857    HB3  GLU 137           HB1      GLU 137   9.004  10.366   3.206
  858    HG2  GLU 137           HG2      GLU 137  10.903   9.762   4.577
  859    HG3  GLU 137           HG1      GLU 137  11.415   8.565   3.390
  860    H    TRP 138           HN       TRP 138   6.913   9.296   5.010
  861    HA   TRP 138           HA       TRP 138   4.848   8.393   3.150
  862    HB2  TRP 138           HB2      TRP 138   4.596   9.341   5.989
  863    HB3  TRP 138           HB1      TRP 138   3.308   8.673   4.992
  864    HD1  TRP 138           HD1      TRP 138   5.971   6.451   4.121
  865    HE1  TRP 138           HE1      TRP 138   6.135   4.457   5.715
  866    HE3  TRP 138           HE3      TRP 138   3.016   8.105   7.860
  867    HZ2  TRP 138           HZ2      TRP 138   5.136   3.629   8.048
  868    HZ3  TRP 138           HZ3      TRP 138   2.650   6.530   9.835
  869    HH2  TRP 138           HH2      TRP 138   3.675   4.373   9.877
  870    H    LYS 139           HN       LYS 139   3.210   9.685   2.619
  871    HA   LYS 139           HA       LYS 139   3.583  12.630   2.634
  872    HB2  LYS 139           HB2      LYS 139   2.346  10.766   0.605
  873    HB3  LYS 139           HB1      LYS 139   2.084  12.492   0.609
  874    HG2  LYS 139           HG2      LYS 139   4.364  12.925   0.373
  875    HG3  LYS 139           HG1      LYS 139   4.735  11.215   0.510
  876    HD2  LYS 139           HD2      LYS 139   3.068  12.505  -1.692
  877    HD3  LYS 139           HD1      LYS 139   4.772  12.097  -1.872
  878    HE2  LYS 139           HE2      LYS 139   4.217   9.743  -1.490
  879    HE3  LYS 139           HE1      LYS 139   2.520  10.168  -1.350
  880    HZ1  LYS 139           HZ1      LYS 139   4.141  10.698  -3.776
  881    HZ2  LYS 139           HZ2      LYS 139   2.478  10.883  -3.630
  882    HZ3  LYS 139           HZ3      LYS 139   3.168   9.344  -3.596
  883    H    LYS 140           HN       LYS 140   1.899  13.723   2.804
  884    HA   LYS 140           HA       LYS 140   0.005  12.539   4.750
  885    HB2  LYS 140           HB2      LYS 140   0.483  15.414   4.060
  886    HB3  LYS 140           HB1      LYS 140  -0.689  14.854   5.232
  887    HG2  LYS 140           HG2      LYS 140   1.148  13.887   6.547
  888    HG3  LYS 140           HG1      LYS 140   2.293  14.553   5.374
  889    HD2  LYS 140           HD2      LYS 140   1.315  16.749   5.750
  890    HD3  LYS 140           HD1      LYS 140   0.326  16.084   7.037
  891    HE2  LYS 140           HE2      LYS 140   2.270  15.396   8.272
  892    HE3  LYS 140           HE1      LYS 140   3.348  16.010   7.014
  893    HZ1  LYS 140           HZ1      LYS 140   1.475  17.632   8.645
  894    HZ2  LYS 140           HZ2      LYS 140   2.499  18.246   7.468
  895    HZ3  LYS 140           HZ3      LYS 140   3.137  17.563   8.884
  896    H    GLY 141           HN       GLY 141  -2.183  12.417   4.426
  897    HA2  GLY 141           HA2      GLY 141  -3.911  14.004   3.248
  898    HA3  GLY 141           HA1      GLY 141  -3.151  13.292   1.849
  899    H    ASN 142           HN       ASN 142  -5.389  12.839   1.578
  900    HA   ASN 142           HA       ASN 142  -5.973  10.113   2.376
  901    HB2  ASN 142           HB2      ASN 142  -8.465  10.735   2.257
  902    HB3  ASN 142           HB1      ASN 142  -7.624  11.223   3.719
  903   HD21  ASN 142          HD21      ASN 142  -7.368  13.029   0.670
  904   HD22  ASN 142          HD22      ASN 142  -8.320  14.347   1.194
  905    H    CYS 143           HN       CYS 143  -6.663   8.878   0.566
  906    HA   CYS 143           HA       CYS 143  -6.194  10.399  -1.801
  907    HB2  CYS 143           HB2      CYS 143  -5.443   7.838  -1.142
  908    HB3  CYS 143           HB1      CYS 143  -6.632   7.643  -2.438
  909    H    GLU 144           HN       GLU 144  -7.969  11.472  -1.510
  910    HA   GLU 144           HA       GLU 144 -10.455  10.285  -2.429
  911    HB2  GLU 144           HB2      GLU 144  -9.796  13.167  -1.773
  912    HB3  GLU 144           HB1      GLU 144 -11.400  12.507  -2.035
  913    HG2  GLU 144           HG2      GLU 144  -9.598  11.628   0.229
  914    HG3  GLU 144           HG1      GLU 144 -10.807  12.909   0.386
  915    H    VAL 145           HN       VAL 145  -8.186  10.299  -4.060
  916    HA   VAL 145           HA       VAL 145  -9.103  11.834  -6.375
  917    HB   VAL 145           HB       VAL 145  -6.833  12.175  -7.145
  918   HG11  VAL 145          HG11      VAL 145  -7.700  13.842  -5.724
  919   HG12  VAL 145          HG12      VAL 145  -5.966  13.658  -5.376
  920   HG13  VAL 145          HG13      VAL 145  -7.191  12.940  -4.298
  921   HG21  VAL 145          HG21      VAL 145  -5.905  10.747  -4.650
  922   HG22  VAL 145          HG22      VAL 145  -4.861  11.552  -5.825
  923   HG23  VAL 145          HG23      VAL 145  -5.791  10.130  -6.298
  924    H    SER 146           HN       SER 146  -8.694  10.841  -8.376
  925    HA   SER 146           HA       SER 146  -9.150   8.014  -8.245
  926    HB2  SER 146           HB2      SER 146  -9.040   9.822 -10.592
  927    HB3  SER 146           HB1      SER 146  -9.627   8.147 -10.581
  928    HG   SER 146           HG       SER 146 -10.826   9.485  -8.626
  929    H    SER 147           HN       SER 147  -6.395   9.696  -8.314
  930    HA   SER 147           HA       SER 147  -4.959   8.415 -10.389
  931    HB2  SER 147           HB2      SER 147  -3.939   9.957  -8.051
  932    HB3  SER 147           HB1      SER 147  -3.104   9.693  -9.585
  933    HG   SER 147           HG       SER 147  -4.011  11.466 -10.163
  934    H    VAL 148           HN       VAL 148  -6.098   6.643  -8.235
  935    HA   VAL 148           HA       VAL 148  -3.552   5.401  -7.419
  936    HB   VAL 148           HB       VAL 148  -6.117   4.581  -6.048
  937   HG11  VAL 148          HG11      VAL 148  -4.665   3.798  -4.383
  938   HG12  VAL 148          HG12      VAL 148  -3.271   4.478  -5.218
  939   HG13  VAL 148          HG13      VAL 148  -4.192   3.169  -5.953
  940   HG21  VAL 148          HG21      VAL 148  -4.271   6.813  -5.218
  941   HG22  VAL 148          HG22      VAL 148  -5.631   6.173  -4.293
  942   HG23  VAL 148          HG23      VAL 148  -5.915   7.027  -5.810
  943    H    GLU 149           HN       GLU 149  -3.067   3.586  -8.144
  944    HA   GLU 149           HA       GLU 149  -5.060   1.979  -9.552
  945    HB2  GLU 149           HB2      GLU 149  -2.307   2.585 -10.605
  946    HB3  GLU 149           HB1      GLU 149  -3.423   1.345 -11.211
  947    HG2  GLU 149           HG2      GLU 149  -4.984   2.906 -11.904
  948    HG3  GLU 149           HG1      GLU 149  -4.245   4.221 -11.021
  949    H    GLY 150           HN       GLY 150  -3.319   1.935  -6.983
  950    HA2  GLY 150           HA2      GLY 150  -3.451  -0.854  -6.762
  951    HA3  GLY 150           HA1      GLY 150  -1.789  -0.339  -7.059
  952    H    THR 151           HN       THR 151  -3.454  -1.407  -4.726
  953    HA   THR 151           HA       THR 151  -2.234   0.404  -2.819
  954    HB   THR 151           HB       THR 151  -4.557   1.000  -2.699
  955    HG1  THR 151           HG1      THR 151  -4.402  -0.815  -0.588
  956   HG21  THR 151          HG21      THR 151  -5.525  -0.958  -3.822
  957   HG22  THR 151          HG22      THR 151  -6.334  -0.636  -2.286
  958   HG23  THR 151          HG23      THR 151  -5.161  -1.947  -2.405
  959    H    LEU 152           HN       LEU 152  -1.610  -0.587  -0.897
  960    HA   LEU 152           HA       LEU 152  -1.245  -3.461  -1.174
  961    HB2  LEU 152           HB2      LEU 152   0.739  -1.998  -0.562
  962    HB3  LEU 152           HB1      LEU 152  -0.086  -1.661   0.933
  963    HG   LEU 152           HG       LEU 152  -0.344  -4.139   1.236
  964   HD11  LEU 152          HD11      LEU 152   1.367  -5.532   0.433
  965   HD12  LEU 152          HD12      LEU 152   2.027  -4.241  -0.555
  966   HD13  LEU 152          HD13      LEU 152   0.398  -4.904  -0.902
  967   HD21  LEU 152          HD21      LEU 152   0.871  -3.137   2.741
  968   HD22  LEU 152          HD22      LEU 152   2.123  -2.654   1.572
  969   HD23  LEU 152          HD23      LEU 152   1.963  -4.359   2.087
  970    H    CYS 153           HN       CYS 153  -2.124  -4.788   0.164
  971    HA   CYS 153           HA       CYS 153  -4.121  -3.645   1.962
  972    HB2  CYS 153           HB2      CYS 153  -4.004  -6.346   0.769
  973    HB3  CYS 153           HB1      CYS 153  -5.370  -5.589   1.571
  974    H    LYS 154           HN       LYS 154  -4.254  -4.373   3.924
  975    HA   LYS 154           HA       LYS 154  -2.348  -6.361   4.830
  976    HB2  LYS 154           HB2      LYS 154  -1.533  -4.333   5.645
  977    HB3  LYS 154           HB1      LYS 154  -3.134  -3.743   6.144
  978    HG2  LYS 154           HG2      LYS 154  -3.081  -5.672   7.811
  979    HG3  LYS 154           HG1      LYS 154  -1.393  -5.876   7.364
  980    HD2  LYS 154           HD2      LYS 154  -0.974  -3.512   8.007
  981    HD3  LYS 154           HD1      LYS 154  -2.657  -3.404   8.535
  982    HE2  LYS 154           HE2      LYS 154  -0.654  -5.366   9.586
  983    HE3  LYS 154           HE1      LYS 154  -1.029  -3.825  10.376
  984    HZ1  LYS 154           HZ1      LYS 154  -3.271  -4.612  10.759
  985    HZ2  LYS 154           HZ2      LYS 154  -2.183  -5.794  11.317
  986    HZ3  LYS 154           HZ3      LYS 154  -2.985  -6.004   9.855
  987    H    THR 155           HN       THR 155  -3.296  -7.800   6.182
  988    HA   THR 155           HA       THR 155  -5.932  -7.212   7.254
  989    HB   THR 155           HB       THR 155  -6.197  -8.583   5.135
  990    HG1  THR 155           HG1      THR 155  -7.862  -9.516   6.044
  991   HG21  THR 155          HG21      THR 155  -4.134  -9.875   5.286
  992   HG22  THR 155          HG22      THR 155  -5.513 -10.983   5.197
  993   HG23  THR 155          HG23      THR 155  -4.704 -10.660   6.741
  994    H    ALA 156           HN       ALA 156  -6.089  -8.016   9.338
  995    HA   ALA 156           HA       ALA 156  -3.663  -9.081  10.475
  996    HB1  ALA 156           HB1      ALA 156  -4.893  -9.052  12.565
  997    HB2  ALA 156           HB2      ALA 156  -6.372  -8.704  11.699
  998    HB3  ALA 156           HB3      ALA 156  -5.080  -7.478  11.758
  999    H    ILE 157           HN       ILE 157  -3.346 -11.275  10.923
 1000    HA   ILE 157           HA       ILE 157  -5.624 -12.803  10.243
 1001    HB   ILE 157           HB       ILE 157  -4.060 -14.724  10.218
 1002   HG12  ILE 157          HG12      ILE 157  -1.991 -12.643  10.044
 1003   HG13  ILE 157          HG11      ILE 157  -2.354 -13.441  11.577
 1004   HG21  ILE 157          HG21      ILE 157  -4.844 -13.602   8.180
 1005   HG22  ILE 157          HG22      ILE 157  -3.196 -14.193   8.012
 1006   HG23  ILE 157          HG23      ILE 157  -3.486 -12.469   8.290
 1007   HD11  ILE 157          HD11      ILE 157  -0.544 -14.490  10.474
 1008   HD12  ILE 157          HD12      ILE 157  -1.619 -14.672   9.033
 1009   HD13  ILE 157          HD13      ILE 157  -2.023 -15.494  10.561
 1010    HA   PRO 158           HA       PRO 158  -6.128 -13.485  14.612
 1011    HB2  PRO 158           HB2      PRO 158  -8.374 -15.138  14.015
 1012    HB3  PRO 158           HB1      PRO 158  -8.380 -13.453  14.563
 1013    HG2  PRO 158           HG2      PRO 158  -9.091 -14.400  12.022
 1014    HG3  PRO 158           HG1      PRO 158  -8.941 -12.713  12.543
 1015    HD2  PRO 158           HD2      PRO 158  -7.088 -14.241  10.831
 1016    HD3  PRO 158           HD1      PRO 158  -7.133 -12.545  11.140
 1017    H    TYR 159           HN       TYR 159  -5.301 -15.387  12.316
 1018    HA   TYR 159           HA       TYR 159  -5.439 -18.019  13.375
 1019    HB2  TYR 159           HB2      TYR 159  -3.689 -16.816  11.244
 1020    HB3  TYR 159           HB1      TYR 159  -3.633 -18.551  11.626
 1021    HD1  TYR 159           HD1      TYR 159  -5.665 -15.769  10.539
 1022    HD2  TYR 159           HD2      TYR 159  -5.219 -19.944  10.539
 1023    HE1  TYR 159           HE1      TYR 159  -7.366 -15.903   8.863
 1024    HE2  TYR 159           HE2      TYR 159  -6.980 -20.156   8.848
 1025    HH   TYR 159           HH       TYR 159  -8.096 -17.506   7.097
 1026    H    LYS 160           HN       LYS 160  -3.302 -15.336  13.699
 1027    HA   LYS 160           HA       LYS 160  -1.537 -16.887  15.458
 1028    HB2  LYS 160           HB2      LYS 160  -0.850 -14.613  13.613
 1029    HB3  LYS 160           HB1      LYS 160   0.268 -15.286  14.802
 1030    HG2  LYS 160           HG2      LYS 160   0.042 -17.442  13.627
 1031    HG3  LYS 160           HG1      LYS 160  -0.927 -16.642  12.393
 1032    HD2  LYS 160           HD2      LYS 160   1.333 -16.772  11.582
 1033    HD3  LYS 160           HD1      LYS 160   1.000 -15.092  11.994
 1034    HE2  LYS 160           HE2      LYS 160   3.214 -15.746  12.761
 1035    HE3  LYS 160           HE1      LYS 160   2.182 -15.381  14.133
 1036    HZ1  LYS 160           HZ1      LYS 160   2.821 -18.108  13.128
 1037    HZ2  LYS 160           HZ2      LYS 160   1.859 -17.773  14.471
 1038    HZ3  LYS 160           HZ3      LYS 160   3.488 -17.382  14.489
 1039    H    ARG 161           HN       ARG 161  -4.010 -15.172  15.859
 1040    HA   ARG 161           HA       ARG 161  -2.896 -12.967  17.406
 1041    HB2  ARG 161           HB2      ARG 161  -4.765 -12.503  15.849
 1042    HB3  ARG 161           HB1      ARG 161  -5.767 -13.643  16.738
 1043    HG2  ARG 161           HG2      ARG 161  -5.589 -12.206  18.724
 1044    HG3  ARG 161           HG1      ARG 161  -4.633 -11.057  17.783
 1045    HD2  ARG 161           HD2      ARG 161  -6.522 -10.860  16.198
 1046    HD3  ARG 161           HD1      ARG 161  -7.461 -11.914  17.246
 1047    HE   ARG 161           HE       ARG 161  -6.506  -9.779  18.765
 1048   HH11  ARG 161          HH11      ARG 161  -8.886 -10.395  16.201
 1049   HH12  ARG 161          HH12      ARG 161  -9.818  -9.014  16.567
 1050   HH21  ARG 161          HH21      ARG 161  -7.858  -7.874  19.248
 1051   HH22  ARG 161          HH22      ARG 161  -9.240  -7.607  18.277
  Start of MODEL    5
    1    H1   MET  22           HT1      MET  22  -1.464 -21.895   5.899
    2    H2   MET  22           HT2      MET  22  -1.155 -20.792   4.657
    3    H3   MET  22           HT3      MET  22  -1.331 -22.412   4.311
    4    HA   MET  22           HA       MET  22  -3.254 -21.150   3.694
    5    HB2  MET  22           HB2      MET  22  -3.633 -23.167   5.907
    6    HB3  MET  22           HB1      MET  22  -4.958 -22.554   4.931
    7    HG2  MET  22           HG2      MET  22  -3.882 -23.459   2.921
    8    HG3  MET  22           HG1      MET  22  -2.568 -24.078   3.914
    9    HE1  MET  22           HE1      MET  22  -2.820 -26.059   5.651
   10    HE2  MET  22           HE2      MET  22  -4.348 -26.858   6.017
   11    HE3  MET  22           HE3      MET  22  -4.097 -25.184   6.502
   12    H    ASP  23           HN       ASP  23  -1.856 -19.714   6.153
   13    HA   ASP  23           HA       ASP  23  -4.122 -18.787   7.694
   14    HB2  ASP  23           HB2      ASP  23  -1.305 -17.676   7.481
   15    HB3  ASP  23           HB1      ASP  23  -2.513 -17.165   8.649
   16    H    CYS  24           HN       CYS  24  -2.382 -17.858   4.954
   17    HA   CYS  24           HA       CYS  24  -3.906 -15.422   4.608
   18    HB2  CYS  24           HB2      CYS  24  -1.568 -16.604   3.104
   19    HB3  CYS  24           HB1      CYS  24  -2.357 -15.083   2.741
   20    HA   PRO  25           HA       PRO  25  -6.751 -17.207   1.631
   21    HB2  PRO  25           HB2      PRO  25  -5.867 -14.946  -0.105
   22    HB3  PRO  25           HB1      PRO  25  -7.519 -15.457   0.280
   23    HG2  PRO  25           HG2      PRO  25  -6.596 -13.358   1.471
   24    HG3  PRO  25           HG1      PRO  25  -7.417 -14.592   2.452
   25    HD2  PRO  25           HD2      PRO  25  -4.488 -14.068   2.183
   26    HD3  PRO  25           HD1      PRO  25  -5.442 -14.447   3.633
   27    H    SER  26           HN       SER  26  -3.742 -15.980   0.106
   28    HA   SER  26           HA       SER  26  -3.581 -18.441  -1.415
   29    HB2  SER  26           HB2      SER  26  -4.966 -16.891  -2.775
   30    HB3  SER  26           HB1      SER  26  -3.663 -15.715  -2.756
   31    HG   SER  26           HG       SER  26  -4.017 -17.919  -4.288
   32    H    SER  27           HN       SER  27  -1.492 -18.055  -2.979
   33    HA   SER  27           HA       SER  27   0.668 -17.736  -1.138
   34    HB2  SER  27           HB2      SER  27   1.949 -18.401  -3.285
   35    HB3  SER  27           HB1      SER  27   0.883 -19.591  -2.528
   36    HG   SER  27           HG       SER  27   0.619 -18.219  -4.937
   37    H    THR  28           HN       THR  28  -0.903 -15.706  -3.386
   38    HA   THR  28           HA       THR  28   1.282 -13.971  -4.002
   39    HB   THR  28           HB       THR  28  -1.672 -13.262  -3.990
   40    HG1  THR  28           HG1      THR  28  -1.175 -13.945  -6.358
   41   HG21  THR  28          HG21      THR  28  -0.091 -11.410  -4.426
   42   HG22  THR  28          HG22      THR  28  -1.031 -11.781  -5.861
   43   HG23  THR  28          HG23      THR  28   0.636 -12.331  -5.729
   44    H    TRP  29           HN       TRP  29  -0.416 -14.615  -1.206
   45    HA   TRP  29           HA       TRP  29  -0.361 -11.957  -0.094
   46    HB2  TRP  29           HB2      TRP  29  -1.477 -14.591   0.850
   47    HB3  TRP  29           HB1      TRP  29  -1.461 -13.133   1.830
   48    HD1  TRP  29           HD1      TRP  29  -2.852 -14.341  -1.485
   49    HE1  TRP  29           HE1      TRP  29  -5.088 -13.082  -1.935
   50    HE3  TRP  29           HE3      TRP  29  -2.785 -11.432   2.463
   51    HZ2  TRP  29           HZ2      TRP  29  -6.556 -11.094  -0.708
   52    HZ3  TRP  29           HZ3      TRP  29  -4.724  -9.772   2.849
   53    HH2  TRP  29           HH2      TRP  29  -6.529  -9.674   1.278
   54    H    ILE  30           HN       ILE  30   1.060 -11.363   1.284
   55    HA   ILE  30           HA       ILE  30   3.228 -13.192   2.015
   56    HB   ILE  30           HB       ILE  30   3.152 -10.190   1.560
   57   HG12  ILE  30          HG12      ILE  30   4.388 -12.512   0.079
   58   HG13  ILE  30          HG11      ILE  30   3.018 -11.556  -0.431
   59   HG21  ILE  30          HG21      ILE  30   5.550 -11.883   2.338
   60   HG22  ILE  30          HG22      ILE  30   4.708 -10.728   3.382
   61   HG23  ILE  30          HG23      ILE  30   5.533 -10.153   1.946
   62   HD11  ILE  30          HD11      ILE  30   4.422  -9.626  -0.572
   63   HD12  ILE  30          HD12      ILE  30   4.985 -10.947  -1.604
   64   HD13  ILE  30          HD13      ILE  30   5.809 -10.598  -0.079
   65    H    GLN  31           HN       GLN  31   3.193 -13.785   4.082
   66    HA   GLN  31           HA       GLN  31   1.592 -12.281   5.958
   67    HB2  GLN  31           HB2      GLN  31   1.624 -14.819   5.704
   68    HB3  GLN  31           HB1      GLN  31   3.178 -14.759   6.527
   69    HG2  GLN  31           HG2      GLN  31   2.077 -13.594   8.403
   70    HG3  GLN  31           HG1      GLN  31   0.533 -13.827   7.587
   71   HE21  GLN  31          HE21      GLN  31   3.056 -15.283   9.392
   72   HE22  GLN  31          HE22      GLN  31   2.245 -16.793   9.618
   73    H    PHE  32           HN       PHE  32   2.401 -10.994   7.486
   74    HA   PHE  32           HA       PHE  32   5.199 -11.192   8.200
   75    HB2  PHE  32           HB2      PHE  32   4.968  -9.574   6.375
   76    HB3  PHE  32           HB1      PHE  32   3.763  -8.705   7.297
   77    HD1  PHE  32           HD2      PHE  32   7.296  -9.803   7.390
   78    HD2  PHE  32           HD1      PHE  32   4.383  -7.013   8.598
   79    HE1  PHE  32           HE2      PHE  32   9.090  -8.368   8.270
   80    HE2  PHE  32           HE1      PHE  32   6.157  -5.531   9.501
   81    HZ   PHE  32           HZ       PHE  32   8.535  -6.216   9.294
   82    H    GLN  33           HN       GLN  33   5.409 -11.074  10.309
   83    HA   GLN  33           HA       GLN  33   4.944 -11.091  12.471
   84    HB2  GLN  33           HB2      GLN  33   3.280  -8.665  11.791
   85    HB3  GLN  33           HB1      GLN  33   3.710  -9.150  13.420
   86    HG2  GLN  33           HG2      GLN  33   6.057  -8.866  12.957
   87    HG3  GLN  33           HG1      GLN  33   5.704  -8.500  11.271
   88   HE21  GLN  33          HE21      GLN  33   7.058  -6.967  13.356
   89   HE22  GLN  33          HE22      GLN  33   6.208  -5.471  13.476
   90    H    ASP  34           HN       ASP  34   1.736  -9.885  11.747
   91    HA   ASP  34           HA       ASP  34   0.588 -12.524  12.155
   92    HB2  ASP  34           HB2      ASP  34  -0.946 -11.765  13.920
   93    HB3  ASP  34           HB1      ASP  34   0.720 -11.587  14.446
   94    H    SER  35           HN       SER  35   0.866 -10.537  10.010
   95    HA   SER  35           HA       SER  35  -1.958 -10.441   9.345
   96    HB2  SER  35           HB2      SER  35  -0.027  -8.209   8.852
   97    HB3  SER  35           HB1      SER  35  -1.656  -8.274   8.276
   98    HG   SER  35           HG       SER  35  -1.460  -8.700  10.993
   99    H    CYS  36           HN       CYS  36  -2.223 -10.066   7.011
  100    HA   CYS  36           HA       CYS  36   0.060 -11.002   5.393
  101    HB2  CYS  36           HB2      CYS  36  -1.999 -12.625   5.995
  102    HB3  CYS  36           HB1      CYS  36  -2.708 -11.699   4.681
  103    H    TYR  37           HN       TYR  37   0.333 -10.321   3.603
  104    HA   TYR  37           HA       TYR  37  -0.841  -7.700   3.027
  105    HB2  TYR  37           HB2      TYR  37   1.887  -8.835   3.031
  106    HB3  TYR  37           HB1      TYR  37   1.563  -7.355   2.257
  107    HD1  TYR  37           HD1      TYR  37   1.551  -9.089   5.235
  108    HD2  TYR  37           HD2      TYR  37   1.263  -5.439   3.469
  109    HE1  TYR  37           HE1      TYR  37   1.912  -8.127   7.482
  110    HE2  TYR  37           HE2      TYR  37   1.594  -4.269   5.650
  111    HH   TYR  37           HH       TYR  37   1.826  -4.534   7.738
  112    H    ILE  38           HN       ILE  38  -1.307  -7.256   0.967
  113    HA   ILE  38           HA       ILE  38  -0.071  -8.729  -1.162
  114    HB   ILE  38           HB       ILE  38  -2.032 -10.128  -0.696
  115   HG12  ILE  38          HG12      ILE  38  -2.309  -8.559  -3.273
  116   HG13  ILE  38          HG11      ILE  38  -1.207  -9.900  -3.010
  117   HG21  ILE  38          HG21      ILE  38  -3.609  -7.625  -1.218
  118   HG22  ILE  38          HG22      ILE  38  -3.487  -8.514   0.305
  119   HG23  ILE  38          HG23      ILE  38  -4.294  -9.245  -1.082
  120   HD11  ILE  38          HD11      ILE  38  -4.203 -10.041  -2.919
  121   HD12  ILE  38          HD12      ILE  38  -3.080 -11.377  -2.649
  122   HD13  ILE  38          HD13      ILE  38  -3.163 -10.608  -4.239
  123    H    PHE  39           HN       PHE  39   0.233  -7.504  -2.973
  124    HA   PHE  39           HA       PHE  39  -0.990  -4.820  -2.908
  125    HB2  PHE  39           HB2      PHE  39   1.637  -5.427  -3.405
  126    HB3  PHE  39           HB1      PHE  39   0.934  -5.543  -4.955
  127    HD1  PHE  39           HD1      PHE  39   0.688  -3.164  -2.164
  128    HD2  PHE  39           HD2      PHE  39   1.003  -3.774  -6.311
  129    HE1  PHE  39           HE1      PHE  39   0.735  -0.737  -2.493
  130    HE2  PHE  39           HE2      PHE  39   1.051  -1.330  -6.662
  131    HZ   PHE  39           HZ       PHE  39   0.910   0.180  -4.766
  132    H    LEU  40           HN       LEU  40  -2.603  -4.595  -4.249
  133    HA   LEU  40           HA       LEU  40  -2.267  -6.118  -6.516
  134    HB2  LEU  40           HB2      LEU  40  -4.899  -5.942  -6.629
  135    HB3  LEU  40           HB1      LEU  40  -4.082  -7.331  -5.946
  136    HG   LEU  40           HG       LEU  40  -6.029  -6.730  -4.653
  137   HD11  LEU  40          HD11      LEU  40  -4.250  -7.662  -3.403
  138   HD12  LEU  40          HD12      LEU  40  -5.038  -6.412  -2.426
  139   HD13  LEU  40          HD13      LEU  40  -3.504  -6.089  -3.233
  140   HD21  LEU  40          HD21      LEU  40  -4.787  -4.015  -4.224
  141   HD22  LEU  40          HD22      LEU  40  -6.257  -4.606  -3.450
  142   HD23  LEU  40          HD23      LEU  40  -6.216  -4.354  -5.194
  143    H    GLN  41           HN       GLN  41  -1.494  -4.694  -7.740
  144    HA   GLN  41           HA       GLN  41  -2.571  -2.130  -7.923
  145    HB2  GLN  41           HB2      GLN  41  -0.926  -3.671  -9.922
  146    HB3  GLN  41           HB1      GLN  41  -1.457  -2.011 -10.217
  147    HG2  GLN  41           HG2      GLN  41  -0.417  -1.325  -8.120
  148    HG3  GLN  41           HG1      GLN  41   0.157  -2.969  -7.886
  149   HE21  GLN  41          HE21      GLN  41   2.366  -2.211  -7.755
  150   HE22  GLN  41          HE22      GLN  41   3.097  -1.631  -9.220
  151    H    GLU  42           HN       GLU  42  -4.678  -2.166  -7.979
  152    HA   GLU  42           HA       GLU  42  -6.115  -3.217 -10.316
  153    HB2  GLU  42           HB2      GLU  42  -7.096  -2.395  -7.600
  154    HB3  GLU  42           HB1      GLU  42  -8.151  -2.924  -8.880
  155    HG2  GLU  42           HG2      GLU  42  -6.042  -4.583  -7.489
  156    HG3  GLU  42           HG1      GLU  42  -7.773  -4.734  -7.254
  157    H    ALA  43           HN       ALA  43  -6.572  -1.668 -11.755
  158    HA   ALA  43           HA       ALA  43  -6.501   1.156 -11.003
  159    HB1  ALA  43           HB1      ALA  43  -7.003  -0.172 -13.667
  160    HB2  ALA  43           HB2      ALA  43  -5.459   0.461 -13.095
  161    HB3  ALA  43           HB3      ALA  43  -6.804   1.560 -13.402
  162    H    ILE  44           HN       ILE  44  -8.263   2.085 -10.251
  163    HA   ILE  44           HA       ILE  44 -10.881   1.481 -11.369
  164    HB   ILE  44           HB       ILE  44 -11.997   1.261  -9.234
  165   HG12  ILE  44          HG12      ILE  44  -9.329   1.144  -7.864
  166   HG13  ILE  44          HG11      ILE  44 -10.322   2.600  -7.959
  167   HG21  ILE  44          HG21      ILE  44  -9.748  -0.744  -9.423
  168   HG22  ILE  44          HG22      ILE  44 -11.303  -0.859 -10.230
  169   HG23  ILE  44          HG23      ILE  44 -11.207  -0.955  -8.474
  170   HD11  ILE  44          HD11      ILE  44 -11.123  -0.008  -6.727
  171   HD12  ILE  44          HD12      ILE  44 -12.121   1.440  -6.873
  172   HD13  ILE  44          HD13      ILE  44 -10.671   1.471  -5.863
  173    H    LYS  45           HN       LYS  45 -12.447   3.100 -10.878
  174    HA   LYS  45           HA       LYS  45 -11.420   5.694 -10.682
  175    HB2  LYS  45           HB2      LYS  45 -13.535   5.170 -11.826
  176    HB3  LYS  45           HB1      LYS  45 -14.261   4.743 -10.275
  177    HG2  LYS  45           HG2      LYS  45 -15.000   6.936 -10.777
  178    HG3  LYS  45           HG1      LYS  45 -13.751   7.109  -9.542
  179    HD2  LYS  45           HD2      LYS  45 -12.117   7.487 -11.439
  180    HD3  LYS  45           HD1      LYS  45 -13.518   7.612 -12.497
  181    HE2  LYS  45           HE2      LYS  45 -12.805   9.386 -10.172
  182    HE3  LYS  45           HE1      LYS  45 -12.856   9.816 -11.873
  183    HZ1  LYS  45           HZ1      LYS  45 -14.779  10.665 -10.884
  184    HZ2  LYS  45           HZ2      LYS  45 -15.072   9.293 -10.023
  185    HZ3  LYS  45           HZ3      LYS  45 -15.352   9.303 -11.705
  186    H    VAL  46           HN       VAL  46 -10.515   6.326  -8.841
  187    HA   VAL  46           HA       VAL  46 -11.718   5.515  -6.324
  188    HB   VAL  46           HB       VAL  46  -9.118   6.985  -6.763
  189   HG11  VAL  46          HG11      VAL  46 -10.199   5.633  -4.299
  190   HG12  VAL  46          HG12      VAL  46 -10.140   7.352  -4.543
  191   HG13  VAL  46          HG13      VAL  46  -8.638   6.429  -4.448
  192   HG21  VAL  46          HG21      VAL  46  -9.034   4.810  -7.759
  193   HG22  VAL  46          HG22      VAL  46  -9.722   4.085  -6.317
  194   HG23  VAL  46          HG23      VAL  46  -8.090   4.783  -6.258
  195    H    GLU  47           HN       GLU  47 -13.168   6.642  -5.680
  196    HA   GLU  47           HA       GLU  47 -13.524   9.450  -6.286
  197    HB2  GLU  47           HB2      GLU  47 -15.209   7.574  -4.599
  198    HB3  GLU  47           HB1      GLU  47 -15.597   9.143  -5.274
  199    HG2  GLU  47           HG2      GLU  47 -14.713   7.181  -6.956
  200    HG3  GLU  47           HG1      GLU  47 -16.410   6.972  -6.439
  201    H    SER  48           HN       SER  48 -12.918   7.240  -3.652
  202    HA   SER  48           HA       SER  48 -11.990   9.357  -1.891
  203    HB2  SER  48           HB2      SER  48 -14.088   7.296  -1.283
  204    HB3  SER  48           HB1      SER  48 -13.209   8.291  -0.114
  205    HG   SER  48           HG       SER  48 -14.072  10.098  -1.040
  206    H    ILE  49           HN       ILE  49 -10.787   8.289  -0.064
  207    HA   ILE  49           HA       ILE  49  -9.169   6.311  -1.140
  208    HB   ILE  49           HB       ILE  49  -8.439   7.908   0.592
  209   HG12  ILE  49          HG12      ILE  49  -8.138   4.962   1.180
  210   HG13  ILE  49          HG11      ILE  49  -7.334   5.863   0.159
  211   HG21  ILE  49          HG21      ILE  49 -10.230   6.214   2.149
  212   HG22  ILE  49          HG22      ILE  49 -10.289   8.023   1.972
  213   HG23  ILE  49          HG23      ILE  49  -8.975   7.208   2.913
  214   HD11  ILE  49          HD11      ILE  49  -5.927   5.765   2.208
  215   HD12  ILE  49          HD12      ILE  49  -7.147   6.760   3.022
  216   HD13  ILE  49          HD13      ILE  49  -6.278   7.401   1.673
  217    H    GLU  50           HN       GLU  50 -11.934   6.297   0.605
  218    HA   GLU  50           HA       GLU  50 -12.273   3.648   1.498
  219    HB2  GLU  50           HB2      GLU  50 -14.346   5.436   0.246
  220    HB3  GLU  50           HB1      GLU  50 -14.717   3.986   1.160
  221    HG2  GLU  50           HG2      GLU  50 -13.295   6.381   2.289
  222    HG3  GLU  50           HG1      GLU  50 -15.035   6.119   2.387
  223    H    ASP  51           HN       ASP  51 -12.456   4.974  -1.802
  224    HA   ASP  51           HA       ASP  51 -13.619   2.702  -2.968
  225    HB2  ASP  51           HB2      ASP  51 -12.244   5.143  -3.935
  226    HB3  ASP  51           HB1      ASP  51 -12.587   3.888  -5.037
  227    H    VAL  52           HN       VAL  52 -10.431   3.749  -2.201
  228    HA   VAL  52           HA       VAL  52  -9.302   1.847  -4.051
  229    HB   VAL  52           HB       VAL  52  -8.146   3.986  -4.064
  230   HG11  VAL  52          HG11      VAL  52  -7.319   5.140  -2.301
  231   HG12  VAL  52          HG12      VAL  52  -8.188   4.002  -1.217
  232   HG13  VAL  52          HG13      VAL  52  -9.067   4.912  -2.461
  233   HG21  VAL  52          HG21      VAL  52  -6.521   2.261  -4.250
  234   HG22  VAL  52          HG22      VAL  52  -6.740   1.871  -2.552
  235   HG23  VAL  52          HG23      VAL  52  -5.891   3.363  -2.999
  236    H    ARG  53           HN       ARG  53  -9.862   2.439  -0.730
  237    HA   ARG  53           HA       ARG  53  -8.309   0.356   0.185
  238    HB2  ARG  53           HB2      ARG  53  -9.347   1.084   2.381
  239    HB3  ARG  53           HB1      ARG  53  -9.138   2.464   1.360
  240    HG2  ARG  53           HG2      ARG  53 -11.057   2.619   2.464
  241    HG3  ARG  53           HG1      ARG  53 -11.437   2.130   0.767
  242    HD2  ARG  53           HD2      ARG  53 -12.640   0.387   1.741
  243    HD3  ARG  53           HD1      ARG  53 -10.998   0.012   1.770
  244    HE   ARG  53           HE       ARG  53 -10.627   0.119   3.941
  245   HH11  ARG  53          HH11      ARG  53 -13.908   1.330   3.310
  246   HH12  ARG  53          HH12      ARG  53 -14.428   1.207   4.915
  247   HH21  ARG  53          HH21      ARG  53 -11.339  -0.120   6.092
  248   HH22  ARG  53          HH22      ARG  53 -12.907   0.387   6.583
  249    H    ASN  54           HN       ASN  54 -11.314   0.596  -1.393
  250    HA   ASN  54           HA       ASN  54 -12.767  -1.716  -0.631
  251    HB2  ASN  54           HB2      ASN  54 -12.620  -0.122  -3.132
  252    HB3  ASN  54           HB1      ASN  54 -13.577  -1.608  -3.129
  253   HD21  ASN  54          HD21      ASN  54 -14.488   1.034  -3.615
  254   HD22  ASN  54          HD22      ASN  54 -15.598   1.465  -2.366
  255    H    GLN  55           HN       GLN  55 -10.120  -1.176  -2.607
  256    HA   GLN  55           HA       GLN  55 -10.127  -3.543  -4.168
  257    HB2  GLN  55           HB2      GLN  55  -7.739  -1.913  -3.301
  258    HB3  GLN  55           HB1      GLN  55  -7.776  -3.072  -4.621
  259    HG2  GLN  55           HG2      GLN  55  -9.449  -1.672  -5.756
  260    HG3  GLN  55           HG1      GLN  55  -9.355  -0.545  -4.446
  261   HE21  GLN  55          HE21      GLN  55  -8.706   1.111  -5.818
  262   HE22  GLN  55          HE22      GLN  55  -7.081   1.213  -6.411
  263    H    CYS  56           HN       CYS  56  -8.947  -2.796  -0.963
  264    HA   CYS  56           HA       CYS  56  -7.706  -5.343  -0.732
  265    HB2  CYS  56           HB2      CYS  56  -8.045  -3.189   1.372
  266    HB3  CYS  56           HB1      CYS  56  -7.210  -4.677   1.423
  267    H    THR  57           HN       THR  57 -10.575  -3.667   0.435
  268    HA   THR  57           HA       THR  57 -11.340  -5.686   2.221
  269    HB   THR  57           HB       THR  57 -13.534  -4.530   2.204
  270    HG1  THR  57           HG1      THR  57 -13.912  -3.342   0.394
  271   HG21  THR  57          HG21      THR  57 -11.067  -2.846   2.384
  272   HG22  THR  57          HG22      THR  57 -11.771  -3.799   3.690
  273   HG23  THR  57          HG23      THR  57 -12.623  -2.367   3.073
  274    H    ASP  58           HN       ASP  58 -11.519  -5.336  -1.049
  275    HA   ASP  58           HA       ASP  58 -13.601  -7.098  -1.847
  276    HB2  ASP  58           HB2      ASP  58 -12.230  -5.560  -3.334
  277    HB3  ASP  58           HB1      ASP  58 -10.938  -6.742  -3.233
  278    H    HIS  59           HN       HIS  59 -10.499  -7.607  -0.471
  279    HA   HIS  59           HA       HIS  59 -10.597 -10.491  -1.001
  280    HB2  HIS  59           HB2      HIS  59  -8.203  -8.865  -0.077
  281    HB3  HIS  59           HB1      HIS  59  -8.300 -10.571  -0.422
  282    HD1  HIS  59           HD1      HIS  59  -7.707 -11.292  -2.804
  283    HD2  HIS  59           HD2      HIS  59  -8.451  -7.228  -2.462
  284    HE1  HIS  59           HE1      HIS  59  -7.038 -10.262  -5.019
  285    HE2  HIS  59           HE2      HIS  59  -7.837  -7.927  -4.859
  286    H    GLY  60           HN       GLY  60 -11.794  -8.540   1.152
  287    HA2  GLY  60           HA2      GLY  60 -12.371  -8.811   3.358
  288    HA3  GLY  60           HA1      GLY  60 -11.575 -10.385   3.279
  289    H    ALA  61           HN       ALA  61  -9.858  -7.629   2.344
  290    HA   ALA  61           HA       ALA  61  -8.287  -7.631   4.844
  291    HB1  ALA  61           HB1      ALA  61  -6.981  -8.551   2.973
  292    HB2  ALA  61           HB2      ALA  61  -6.349  -6.963   3.417
  293    HB3  ALA  61           HB3      ALA  61  -7.368  -7.138   1.995
  294    H    ASP  62           HN       ASP  62  -7.009  -5.310   4.806
  295    HA   ASP  62           HA       ASP  62  -8.738  -3.305   3.589
  296    HB2  ASP  62           HB2      ASP  62  -9.054  -3.692   6.225
  297    HB3  ASP  62           HB1      ASP  62  -7.599  -2.701   6.293
  298    H    MET  63           HN       MET  63  -7.427  -1.131   3.793
  299    HA   MET  63           HA       MET  63  -5.002  -1.710   2.422
  300    HB2  MET  63           HB2      MET  63  -5.932   0.958   3.511
  301    HB3  MET  63           HB1      MET  63  -4.468   0.741   2.565
  302    HG2  MET  63           HG2      MET  63  -5.785  -0.033   0.673
  303    HG3  MET  63           HG1      MET  63  -7.229   0.141   1.681
  304    HE1  MET  63           HE1      MET  63  -4.277   2.258  -0.270
  305    HE2  MET  63           HE2      MET  63  -4.071   2.472   1.464
  306    HE3  MET  63           HE3      MET  63  -4.654   3.800   0.482
  307    H    ILE  64           HN       ILE  64  -2.939  -1.320   2.898
  308    HA   ILE  64           HA       ILE  64  -1.702  -2.388   5.031
  309    HB   ILE  64           HB       ILE  64  -0.414  -1.964   3.186
  310   HG12  ILE  64          HG12      ILE  64   0.313   0.043   5.218
  311   HG13  ILE  64          HG11      ILE  64   0.964  -1.659   5.103
  312   HG21  ILE  64          HG21      ILE  64  -0.014   0.251   2.177
  313   HG22  ILE  64          HG22      ILE  64  -1.268   0.913   3.240
  314   HG23  ILE  64          HG23      ILE  64  -1.660  -0.343   2.062
  315   HD11  ILE  64          HD11      ILE  64   2.082  -1.013   3.085
  316   HD12  ILE  64          HD12      ILE  64   2.641  -0.050   4.450
  317   HD13  ILE  64          HD13      ILE  64   1.534   0.652   3.250
  318    H    SER  65           HN       SER  65  -0.466  -1.543   6.916
  319    HA   SER  65           HA       SER  65  -1.070   1.020   7.900
  320    HB2  SER  65           HB2      SER  65  -2.343  -1.372   9.228
  321    HB3  SER  65           HB1      SER  65  -2.196   0.221   9.984
  322    HG   SER  65           HG       SER  65  -3.297   0.215   7.445
  323    H    ILE  66           HN       ILE  66   0.677   1.655   8.855
  324    HA   ILE  66           HA       ILE  66   2.712  -0.304   9.566
  325    HB   ILE  66           HB       ILE  66   2.935   2.657   9.101
  326   HG12  ILE  66          HG12      ILE  66   3.417   0.287   7.303
  327   HG13  ILE  66          HG11      ILE  66   2.101   1.404   7.102
  328   HG21  ILE  66          HG21      ILE  66   4.676   1.824  10.463
  329   HG22  ILE  66          HG22      ILE  66   5.338   2.078   8.843
  330   HG23  ILE  66          HG23      ILE  66   4.897   0.456   9.400
  331   HD11  ILE  66          HD11      ILE  66   5.037   1.965   6.778
  332   HD12  ILE  66          HD12      ILE  66   3.742   3.143   6.533
  333   HD13  ILE  66          HD13      ILE  66   3.859   1.719   5.492
  334    H    HIS  67           HN       HIS  67   2.957  -0.731  11.565
  335    HA   HIS  67           HA       HIS  67   2.717   1.476  13.445
  336    HB2  HIS  67           HB2      HIS  67   2.185  -1.458  13.933
  337    HB3  HIS  67           HB1      HIS  67   2.226  -0.236  15.197
  338    HD1  HIS  67           HD1      HIS  67   0.029   0.937  15.682
  339    HD2  HIS  67           HD2      HIS  67  -0.010  -1.037  12.023
  340    HE1  HIS  67           HE1      HIS  67  -2.323   1.040  14.888
  341    HE2  HIS  67           HE2      HIS  67  -2.351  -0.628  13.035
  342    H    ASN  68           HN       ASN  68   5.002   0.018  11.690
  343    HA   ASN  68           HA       ASN  68   7.025   0.457  13.657
  344    HB2  ASN  68           HB2      ASN  68   6.749  -2.314  12.435
  345    HB3  ASN  68           HB1      ASN  68   8.106  -1.776  13.393
  346   HD21  ASN  68          HD21      ASN  68   4.843  -2.886  13.361
  347   HD22  ASN  68          HD22      ASN  68   4.778  -3.312  15.015
  348    H    GLU  69           HN       GLU  69   9.190   0.422  12.622
  349    HA   GLU  69           HA       GLU  69   9.075   1.042   9.892
  350    HB2  GLU  69           HB2      GLU  69  11.455   0.883   9.947
  351    HB3  GLU  69           HB1      GLU  69  10.886   2.024  11.191
  352    HG2  GLU  69           HG2      GLU  69  11.217   0.052  12.738
  353    HG3  GLU  69           HG1      GLU  69  12.020  -0.751  11.406
  354    H    GLU  70           HN       GLU  70   9.330  -1.895  11.739
  355    HA   GLU  70           HA       GLU  70  10.504  -3.576  10.110
  356    HB2  GLU  70           HB2      GLU  70   8.429  -3.417  12.095
  357    HB3  GLU  70           HB1      GLU  70   8.447  -4.932  11.331
  358    HG2  GLU  70           HG2      GLU  70  10.582  -3.566  12.949
  359    HG3  GLU  70           HG1      GLU  70   9.739  -5.068  13.332
  360    H    GLU  71           HN       GLU  71   7.158  -2.455  10.339
  361    HA   GLU  71           HA       GLU  71   6.038  -3.947   8.198
  362    HB2  GLU  71           HB2      GLU  71   4.956  -2.545  10.274
  363    HB3  GLU  71           HB1      GLU  71   5.058  -1.293   9.078
  364    HG2  GLU  71           HG2      GLU  71   3.348  -3.797   8.662
  365    HG3  GLU  71           HG1      GLU  71   2.859  -2.230   9.268
  366    H    ASN  72           HN       ASN  72   7.137  -0.550   8.632
  367    HA   ASN  72           HA       ASN  72   6.389   0.495   6.241
  368    HB2  ASN  72           HB2      ASN  72   7.204   1.832   8.180
  369    HB3  ASN  72           HB1      ASN  72   8.812   1.171   7.899
  370   HD21  ASN  72          HD21      ASN  72  10.051   1.946   6.263
  371   HD22  ASN  72          HD22      ASN  72   9.575   3.284   5.270
  372    H    ALA  73           HN       ALA  73   9.470  -0.829   7.185
  373    HA   ALA  73           HA       ALA  73  10.719  -0.487   4.644
  374    HB1  ALA  73           HB1      ALA  73  11.588  -2.182   6.943
  375    HB2  ALA  73           HB2      ALA  73  11.839  -0.465   6.811
  376    HB3  ALA  73           HB3      ALA  73  12.576  -1.561   5.591
  377    H    PHE  74           HN       PHE  74   8.953  -3.067   6.143
  378    HA   PHE  74           HA       PHE  74   9.711  -5.239   4.524
  379    HB2  PHE  74           HB2      PHE  74   8.235  -5.754   6.571
  380    HB3  PHE  74           HB1      PHE  74   7.253  -4.459   5.936
  381    HD1  PHE  74           HD2      PHE  74   8.499  -7.755   4.732
  382    HD2  PHE  74           HD1      PHE  74   5.409  -5.006   5.452
  383    HE1  PHE  74           HE2      PHE  74   6.846  -9.374   3.851
  384    HE2  PHE  74           HE1      PHE  74   3.846  -6.402   4.679
  385    HZ   PHE  74           HZ       PHE  74   4.451  -8.722   3.801
  386    H    ILE  75           HN       ILE  75   7.209  -2.912   4.415
  387    HA   ILE  75           HA       ILE  75   5.585  -3.819   2.207
  388    HB   ILE  75           HB       ILE  75   6.059  -1.002   3.169
  389   HG12  ILE  75          HG12      ILE  75   5.576  -2.404   5.024
  390   HG13  ILE  75          HG11      ILE  75   4.254  -1.312   4.699
  391   HG21  ILE  75          HG21      ILE  75   3.854  -0.654   2.575
  392   HG22  ILE  75          HG22      ILE  75   3.726  -2.316   1.983
  393   HG23  ILE  75          HG23      ILE  75   4.790  -1.136   1.128
  394   HD11  ILE  75          HD11      ILE  75   3.021  -3.093   3.686
  395   HD12  ILE  75          HD12      ILE  75   3.529  -3.458   5.342
  396   HD13  ILE  75          HD13      ILE  75   4.370  -4.204   3.962
  397    H    LEU  76           HN       LEU  76   7.978  -1.618   2.727
  398    HA   LEU  76           HA       LEU  76   8.312  -0.419   0.350
  399    HB2  LEU  76           HB2      LEU  76   9.274  -0.406   2.762
  400    HB3  LEU  76           HB1      LEU  76  10.656  -1.077   1.975
  401    HG   LEU  76           HG       LEU  76  10.027   0.997   0.333
  402   HD11  LEU  76          HD11      LEU  76   8.804   1.745   2.903
  403   HD12  LEU  76          HD12      LEU  76   7.980   1.230   1.462
  404   HD13  LEU  76          HD13      LEU  76   8.904   2.747   1.445
  405   HD21  LEU  76          HD21      LEU  76  12.129   0.941   1.568
  406   HD22  LEU  76          HD22      LEU  76  11.261   1.592   2.991
  407   HD23  LEU  76          HD23      LEU  76  11.336   2.515   1.464
  408    H    ASP  77           HN       ASP  77   9.964  -3.264   1.576
  409    HA   ASP  77           HA       ASP  77  11.385  -3.663  -1.003
  410    HB2  ASP  77           HB2      ASP  77  12.589  -5.426   0.126
  411    HB3  ASP  77           HB1      ASP  77  12.272  -4.204   1.462
  412    H    THR  78           HN       THR  78   8.750  -4.875   0.605
  413    HA   THR  78           HA       THR  78   8.752  -7.410  -0.694
  414    HB   THR  78           HB       THR  78   6.926  -5.981   1.163
  415    HG1  THR  78           HG1      THR  78   8.666  -6.759   2.094
  416   HG21  THR  78          HG21      THR  78   5.598  -8.023   1.360
  417   HG22  THR  78          HG22      THR  78   6.543  -8.738   0.043
  418   HG23  THR  78          HG23      THR  78   5.507  -7.343  -0.267
  419    H    LEU  79           HN       LEU  79   7.307  -4.395  -1.058
  420    HA   LEU  79           HA       LEU  79   5.265  -4.846  -2.671
  421    HB2  LEU  79           HB2      LEU  79   6.448  -2.830  -1.588
  422    HB3  LEU  79           HB1      LEU  79   7.037  -2.545  -3.182
  423    HG   LEU  79           HG       LEU  79   5.102  -1.311  -3.140
  424   HD11  LEU  79          HD11      LEU  79   3.283  -2.410  -4.210
  425   HD12  LEU  79          HD12      LEU  79   3.820  -3.951  -3.570
  426   HD13  LEU  79          HD13      LEU  79   4.788  -3.152  -4.813
  427   HD21  LEU  79          HD21      LEU  79   4.126  -3.284  -1.072
  428   HD22  LEU  79          HD22      LEU  79   3.116  -1.993  -1.729
  429   HD23  LEU  79          HD23      LEU  79   4.572  -1.580  -0.857
  430    H    LYS  80           HN       LYS  80   8.479  -3.784  -3.558
  431    HA   LYS  80           HA       LYS  80   8.358  -4.311  -6.329
  432    HB2  LYS  80           HB2      LYS  80  10.584  -3.864  -4.432
  433    HB3  LYS  80           HB1      LYS  80  10.816  -3.840  -6.208
  434    HG2  LYS  80           HG2      LYS  80  10.231  -1.673  -6.126
  435    HG3  LYS  80           HG1      LYS  80   8.636  -2.222  -5.593
  436    HD2  LYS  80           HD2      LYS  80   9.403  -0.758  -4.032
  437    HD3  LYS  80           HD1      LYS  80   9.497  -2.344  -3.316
  438    HE2  LYS  80           HE2      LYS  80  11.885  -2.538  -3.754
  439    HE3  LYS  80           HE1      LYS  80  11.914  -0.963  -4.546
  440    HZ1  LYS  80           HZ1      LYS  80  11.218  -1.401  -1.689
  441    HZ2  LYS  80           HZ2      LYS  80  11.608   0.097  -2.397
  442    HZ3  LYS  80           HZ3      LYS  80  12.761  -1.074  -2.208
  443    H    LYS  81           HN       LYS  81   9.395  -6.187  -3.642
  444    HA   LYS  81           HA       LYS  81  11.099  -8.040  -4.889
  445    HB2  LYS  81           HB2      LYS  81  10.988  -7.442  -2.556
  446    HB3  LYS  81           HB1      LYS  81   9.412  -8.189  -2.462
  447    HG2  LYS  81           HG2      LYS  81  10.389 -10.347  -2.854
  448    HG3  LYS  81           HG1      LYS  81  11.963  -9.582  -3.079
  449    HD2  LYS  81           HD2      LYS  81  12.051 -10.178  -0.758
  450    HD3  LYS  81           HD1      LYS  81  11.499  -8.535  -0.775
  451    HE2  LYS  81           HE2      LYS  81   9.200  -9.410  -0.926
  452    HE3  LYS  81           HE1      LYS  81   9.848 -10.964  -0.495
  453    HZ1  LYS  81           HZ1      LYS  81  10.666 -10.188   1.571
  454    HZ2  LYS  81           HZ2      LYS  81   9.086  -9.578   1.507
  455    HZ3  LYS  81           HZ3      LYS  81  10.399  -8.587   1.161
  456    H    GLN  82           HN       GLN  82   7.793  -8.357  -3.791
  457    HA   GLN  82           HA       GLN  82   7.484 -10.942  -5.187
  458    HB2  GLN  82           HB2      GLN  82   6.688 -10.559  -2.863
  459    HB3  GLN  82           HB1      GLN  82   5.458  -9.492  -3.531
  460    HG2  GLN  82           HG2      GLN  82   4.372 -11.593  -3.274
  461    HG3  GLN  82           HG1      GLN  82   4.745 -11.422  -4.969
  462   HE21  GLN  82          HE21      GLN  82   5.864 -12.928  -2.018
  463   HE22  GLN  82          HE22      GLN  82   6.657 -14.235  -2.782
  464    H    TRP  83           HN       TRP  83   6.069  -7.715  -5.168
  465    HA   TRP  83           HA       TRP  83   4.427  -8.494  -7.447
  466    HB2  TRP  83           HB2      TRP  83   4.022  -6.117  -5.552
  467    HB3  TRP  83           HB1      TRP  83   2.901  -6.738  -6.754
  468    HD1  TRP  83           HD1      TRP  83   2.109  -9.529  -6.114
  469    HE1  TRP  83           HE1      TRP  83   1.378 -10.346  -3.725
  470    HE3  TRP  83           HE3      TRP  83   4.122  -5.911  -3.396
  471    HZ2  TRP  83           HZ2      TRP  83   1.612  -9.510  -1.112
  472    HZ3  TRP  83           HZ3      TRP  83   3.877  -5.889  -0.901
  473    HH2  TRP  83           HH2      TRP  83   2.645  -7.638   0.220
  474    H    LYS  84           HN       LYS  84   3.966  -5.745  -8.222
  475    HA   LYS  84           HA       LYS  84   6.327  -5.323  -9.820
  476    HB2  LYS  84           HB2      LYS  84   3.915  -3.553  -9.452
  477    HB3  LYS  84           HB1      LYS  84   5.163  -3.357 -10.669
  478    HG2  LYS  84           HG2      LYS  84   4.472  -5.320 -11.813
  479    HG3  LYS  84           HG1      LYS  84   3.408  -5.798 -10.491
  480    HD2  LYS  84           HD2      LYS  84   2.042  -4.830 -12.236
  481    HD3  LYS  84           HD1      LYS  84   2.110  -3.714 -10.869
  482    HE2  LYS  84           HE2      LYS  84   3.933  -2.481 -12.063
  483    HE3  LYS  84           HE1      LYS  84   3.626  -3.504 -13.462
  484    HZ1  LYS  84           HZ1      LYS  84   2.445  -1.381 -13.598
  485    HZ2  LYS  84           HZ2      LYS  84   1.628  -1.742 -12.167
  486    HZ3  LYS  84           HZ3      LYS  84   1.353  -2.665 -13.532
  487    H    GLY  85           HN       GLY  85   4.736  -2.890  -7.865
  488    HA2  GLY  85           HA2      GLY  85   5.476  -1.889  -6.288
  489    HA3  GLY  85           HA1      GLY  85   7.010  -1.967  -6.225
  490    HA   PRO  86           HA       PRO  86   5.637   1.633  -8.796
  491    HB2  PRO  86           HB2      PRO  86   3.828   2.972  -7.350
  492    HB3  PRO  86           HB1      PRO  86   3.515   1.427  -8.230
  493    HG2  PRO  86           HG2      PRO  86   3.750   1.738  -5.296
  494    HG3  PRO  86           HG1      PRO  86   2.734   0.679  -6.314
  495    HD2  PRO  86           HD2      PRO  86   5.284   0.044  -5.188
  496    HD3  PRO  86           HD1      PRO  86   4.120  -0.864  -6.154
  497    H    ASP  87           HN       ASP  87   5.851   4.084  -8.038
  498    HA   ASP  87           HA       ASP  87   8.361   4.277  -6.680
  499    HB2  ASP  87           HB2      ASP  87   6.418   6.395  -7.535
  500    HB3  ASP  87           HB1      ASP  87   7.872   6.797  -6.643
  501    H    ASP  88           HN       ASP  88   5.068   5.070  -5.743
  502    HA   ASP  88           HA       ASP  88   5.847   4.486  -2.986
  503    HB2  ASP  88           HB2      ASP  88   3.790   6.672  -3.305
  504    HB3  ASP  88           HB1      ASP  88   4.859   6.225  -2.013
  505    H    ILE  89           HN       ILE  89   4.262   3.622  -1.902
  506    HA   ILE  89           HA       ILE  89   1.964   2.641  -3.482
  507    HB   ILE  89           HB       ILE  89   1.708   0.929  -1.821
  508   HG12  ILE  89          HG12      ILE  89   3.011   2.638  -0.361
  509   HG13  ILE  89          HG11      ILE  89   2.680   1.099   0.297
  510   HG21  ILE  89          HG21      ILE  89   3.110   0.480  -3.728
  511   HG22  ILE  89          HG22      ILE  89   3.795  -0.259  -2.282
  512   HG23  ILE  89          HG23      ILE  89   4.474   1.246  -2.899
  513   HD11  ILE  89          HD11      ILE  89   5.120   2.207  -1.123
  514   HD12  ILE  89          HD12      ILE  89   5.150   0.583  -0.414
  515   HD13  ILE  89          HD13      ILE  89   5.019   2.041   0.594
  516    H    LEU  90           HN       LEU  90  -0.208   2.789  -2.444
  517    HA   LEU  90           HA       LEU  90  -0.216   5.068  -0.849
  518    HB2  LEU  90           HB2      LEU  90  -2.252   3.649  -2.402
  519    HB3  LEU  90           HB1      LEU  90  -2.699   3.578  -0.828
  520    HG   LEU  90           HG       LEU  90  -2.183   6.229  -2.090
  521   HD11  LEU  90          HD11      LEU  90  -3.894   5.079  -3.221
  522   HD12  LEU  90          HD12      LEU  90  -4.613   6.327  -2.196
  523   HD13  LEU  90          HD13      LEU  90  -4.677   4.622  -1.708
  524   HD21  LEU  90          HD21      LEU  90  -3.659   5.410   0.378
  525   HD22  LEU  90          HD22      LEU  90  -3.484   7.057  -0.249
  526   HD23  LEU  90          HD23      LEU  90  -2.071   6.162   0.331
  527    H    LEU  91           HN       LEU  91  -0.517   5.268   1.250
  528    HA   LEU  91           HA       LEU  91  -0.138   2.879   2.857
  529    HB2  LEU  91           HB2      LEU  91  -0.466   5.800   3.702
  530    HB3  LEU  91           HB1      LEU  91  -0.732   4.505   4.590
  531    HG   LEU  91           HG       LEU  91   1.178   4.389   5.427
  532   HD11  LEU  91          HD11      LEU  91   1.476   2.480   4.137
  533   HD12  LEU  91          HD12      LEU  91   3.012   3.332   4.310
  534   HD13  LEU  91          HD13      LEU  91   2.143   3.421   2.790
  535   HD21  LEU  91          HD21      LEU  91   3.100   5.597   4.796
  536   HD22  LEU  91          HD22      LEU  91   1.709   6.625   4.802
  537   HD23  LEU  91          HD23      LEU  91   2.381   6.048   3.247
  538    H    GLY  92           HN       GLY  92  -1.530   2.526   4.453
  539    HA2  GLY  92           HA2      GLY  92  -4.173   2.805   3.409
  540    HA3  GLY  92           HA1      GLY  92  -3.766   1.585   4.560
  541    H    MET  93           HN       MET  93  -3.576   5.087   4.322
  542    HA   MET  93           HA       MET  93  -4.566   5.056   6.946
  543    HB2  MET  93           HB2      MET  93  -3.062   6.374   7.853
  544    HB3  MET  93           HB1      MET  93  -2.042   5.709   6.585
  545    HG2  MET  93           HG2      MET  93  -2.549   7.731   5.182
  546    HG3  MET  93           HG1      MET  93  -3.463   8.357   6.521
  547    HE1  MET  93           HE1      MET  93  -0.330   6.351   7.307
  548    HE2  MET  93           HE2      MET  93   0.997   7.494   6.994
  549    HE3  MET  93           HE3      MET  93  -0.020   6.893   5.665
  550    H    PHE  94           HN       PHE  94  -5.708   6.952   7.367
  551    HA   PHE  94           HA       PHE  94  -6.464   8.339   4.961
  552    HB2  PHE  94           HB2      PHE  94  -8.801   8.041   5.410
  553    HB3  PHE  94           HB1      PHE  94  -7.978   6.556   5.290
  554    HD1  PHE  94           HD1      PHE  94  -7.424   5.513   7.287
  555    HD2  PHE  94           HD2      PHE  94 -10.196   8.553   7.256
  556    HE1  PHE  94           HE1      PHE  94  -8.398   4.541   9.361
  557    HE2  PHE  94           HE2      PHE  94 -11.216   7.701   9.338
  558    HZ   PHE  94           HZ       PHE  94 -10.232   5.609  10.365
  559    H    TYR  95           HN       TYR  95  -7.282  10.207   5.247
  560    HA   TYR  95           HA       TYR  95  -6.401  11.431   7.732
  561    HB2  TYR  95           HB2      TYR  95  -5.308  12.417   5.783
  562    HB3  TYR  95           HB1      TYR  95  -6.862  12.796   5.062
  563    HD1  TYR  95           HD1      TYR  95  -5.405  13.259   8.400
  564    HD2  TYR  95           HD2      TYR  95  -7.263  15.066   5.076
  565    HE1  TYR  95           HE1      TYR  95  -5.381  15.374   9.598
  566    HE2  TYR  95           HE2      TYR  95  -7.238  17.242   6.226
  567    HH   TYR  95           HH       TYR  95  -5.422  17.764   9.048
  568    H    ASP  96           HN       ASP  96  -7.957  11.261   9.051
  569    HA   ASP  96           HA       ASP  96 -10.652  11.830   8.278
  570    HB2  ASP  96           HB2      ASP  96 -10.453  10.210   9.895
  571    HB3  ASP  96           HB1      ASP  96  -9.315  11.194  10.838
  572    H    THR  97           HN       THR  97 -11.235  13.875   8.076
  573    HA   THR  97           HA       THR  97  -9.469  15.951   8.895
  574    HB   THR  97           HB       THR  97 -11.144  17.399   7.812
  575    HG1  THR  97           HG1      THR  97 -12.780  16.133   6.555
  576   HG21  THR  97          HG21      THR  97  -9.294  16.426   6.478
  577   HG22  THR  97          HG22      THR  97 -10.739  16.491   5.485
  578   HG23  THR  97          HG23      THR  97 -10.250  14.981   6.242
  579    H    ASP  98           HN       ASP  98 -12.225  14.438  10.119
  580    HA   ASP  98           HA       ASP  98 -13.408  16.522  11.610
  581    HB2  ASP  98           HB2      ASP  98 -14.452  14.348  11.119
  582    HB3  ASP  98           HB1      ASP  98 -13.402  13.601  12.306
  583    H    ASP  99           HN       ASP  99 -11.064  14.083  12.593
  584    HA   ASP  99           HA       ASP  99 -10.524  15.713  14.992
  585    HB2  ASP  99           HB2      ASP  99  -9.383  13.045  14.243
  586    HB3  ASP  99           HB1      ASP  99  -9.009  13.924  15.702
  587    H    ALA 100           HN       ALA 100  -9.505  15.181  11.913
  588    HA   ALA 100           HA       ALA 100  -7.817  15.642  10.674
  589    HB1  ALA 100           HB1      ALA 100  -7.135  17.828  12.656
  590    HB2  ALA 100           HB2      ALA 100  -8.332  17.982  11.368
  591    HB3  ALA 100           HB3      ALA 100  -6.629  17.753  10.967
  592    H    SER 101           HN       SER 101  -7.226  13.626  11.235
  593    HA   SER 101           HA       SER 101  -4.440  13.617  12.069
  594    HB2  SER 101           HB2      SER 101  -6.418  11.681  13.108
  595    HB3  SER 101           HB1      SER 101  -4.777  11.807  13.596
  596    HG   SER 101           HG       SER 101  -5.626  14.160  14.135
  597    H    PHE 102           HN       PHE 102  -3.450  11.794  11.285
  598    HA   PHE 102           HA       PHE 102  -4.834  10.408   9.163
  599    HB2  PHE 102           HB2      PHE 102  -1.925  10.271   9.968
  600    HB3  PHE 102           HB1      PHE 102  -2.687   9.499   8.600
  601    HD1  PHE 102           HD1      PHE 102  -3.534  10.763   6.793
  602    HD2  PHE 102           HD2      PHE 102  -1.350  12.492   9.994
  603    HE1  PHE 102           HE1      PHE 102  -3.133  12.786   5.457
  604    HE2  PHE 102           HE2      PHE 102  -0.921  14.498   8.683
  605    HZ   PHE 102           HZ       PHE 102  -1.782  14.681   6.446
  606    H    LYS 103           HN       LYS 103  -5.547   8.519   9.526
  607    HA   LYS 103           HA       LYS 103  -4.577   7.024  11.790
  608    HB2  LYS 103           HB2      LYS 103  -7.182   6.410  11.934
  609    HB3  LYS 103           HB1      LYS 103  -6.484   7.766  12.827
  610    HG2  LYS 103           HG2      LYS 103  -6.869   9.087  10.891
  611    HG3  LYS 103           HG1      LYS 103  -7.916   7.836  10.186
  612    HD2  LYS 103           HD2      LYS 103  -9.431   9.275  11.182
  613    HD3  LYS 103           HD1      LYS 103  -9.282   8.153  12.464
  614    HE2  LYS 103           HE2      LYS 103  -7.410   9.878  13.392
  615    HE3  LYS 103           HE1      LYS 103  -8.047  10.874  12.167
  616    HZ1  LYS 103           HZ1      LYS 103  -9.064  11.183  14.410
  617    HZ2  LYS 103           HZ2      LYS 103  -9.844   9.732  14.199
  618    HZ3  LYS 103           HZ3      LYS 103 -10.164  11.025  13.151
  619    H    TRP 104           HN       TRP 104  -5.098   4.753  11.627
  620    HA   TRP 104           HA       TRP 104  -4.529   3.967   8.891
  621    HB2  TRP 104           HB2      TRP 104  -4.444   2.597  11.550
  622    HB3  TRP 104           HB1      TRP 104  -4.135   1.760  10.007
  623    HD1  TRP 104           HD1      TRP 104  -2.379   3.267  12.784
  624    HE1  TRP 104           HE1      TRP 104   0.036   3.907  12.119
  625    HE3  TRP 104           HE3      TRP 104  -2.772   3.006   7.704
  626    HZ2  TRP 104           HZ2      TRP 104   1.524   4.299   9.827
  627    HZ3  TRP 104           HZ3      TRP 104  -0.799   3.530   6.351
  628    HH2  TRP 104           HH2      TRP 104   1.317   4.167   7.402
  629    H    PHE 105           HN       PHE 105  -5.708   2.626   7.675
  630    HA   PHE 105           HA       PHE 105  -8.426   2.263   8.226
  631    HB2  PHE 105           HB2      PHE 105  -6.571   1.156   6.134
  632    HB3  PHE 105           HB1      PHE 105  -8.154   0.428   6.363
  633    HD1  PHE 105           HD2      PHE 105 -10.084   2.183   6.607
  634    HD2  PHE 105           HD1      PHE 105  -6.467   2.950   4.379
  635    HE1  PHE 105           HE2      PHE 105 -11.168   3.915   5.263
  636    HE2  PHE 105           HE1      PHE 105  -7.505   4.537   3.193
  637    HZ   PHE 105           HZ       PHE 105  -9.888   5.103   3.552
  638    H    ASP 106           HN       ASP 106  -5.715   0.703   9.326
  639    HA   ASP 106           HA       ASP 106  -6.698  -1.840  10.132
  640    HB2  ASP 106           HB2      ASP 106  -4.322  -1.289  10.106
  641    HB3  ASP 106           HB1      ASP 106  -4.566  -0.043  11.310
  642    H    ASN 107           HN       ASN 107  -7.524   1.305  11.097
  643    HA   ASN 107           HA       ASN 107  -9.010   2.154  12.548
  644    HB2  ASN 107           HB2      ASN 107  -9.535  -0.738  13.278
  645    HB3  ASN 107           HB1      ASN 107 -10.477   0.618  13.888
  646   HD21  ASN 107          HD21      ASN 107 -11.084  -1.733  12.153
  647   HD22  ASN 107          HD22      ASN 107 -11.857  -1.062  10.773
  648    H    SER 108           HN       SER 108  -6.236   1.390  13.180
  649    HA   SER 108           HA       SER 108  -6.451   1.711  16.058
  650    HB2  SER 108           HB2      SER 108  -4.274   0.349  14.474
  651    HB3  SER 108           HB1      SER 108  -4.256   0.583  16.225
  652    HG   SER 108           HG       SER 108  -6.562  -0.548  15.383
  653    H    ASN 109           HN       ASN 109  -4.764   2.984  17.008
  654    HA   ASN 109           HA       ASN 109  -4.489   5.530  15.929
  655    HB2  ASN 109           HB2      ASN 109  -4.143   4.973  18.417
  656    HB3  ASN 109           HB1      ASN 109  -2.647   4.226  17.924
  657   HD21  ASN 109          HD21      ASN 109  -1.690   5.540  19.345
  658   HD22  ASN 109          HD22      ASN 109  -1.429   7.206  18.968
  659    H    MET 110           HN       MET 110  -2.925   6.484  14.764
  660    HA   MET 110           HA       MET 110  -0.884   4.862  13.588
  661    HB2  MET 110           HB2      MET 110  -1.837   6.756  12.396
  662    HB3  MET 110           HB1      MET 110  -1.211   7.856  13.608
  663    HG2  MET 110           HG2      MET 110   1.030   7.456  12.960
  664    HG3  MET 110           HG1      MET 110   0.563   6.082  11.957
  665    HE1  MET 110           HE1      MET 110  -0.907   6.210   9.897
  666    HE2  MET 110           HE2      MET 110  -1.350   7.687   9.063
  667    HE3  MET 110           HE3      MET 110  -2.144   7.273  10.571
  668    H    THR 111           HN       THR 111   0.235   3.992  15.235
  669    HA   THR 111           HA       THR 111   1.353   5.623  17.272
  670    HB   THR 111           HB       THR 111   2.283   3.382  18.025
  671    HG1  THR 111           HG1      THR 111   1.987   1.707  16.802
  672   HG21  THR 111          HG21      THR 111   0.193   4.308  18.943
  673   HG22  THR 111          HG22      THR 111   0.039   2.566  18.752
  674   HG23  THR 111          HG23      THR 111  -0.726   3.650  17.602
  675    H    PHE 112           HN       PHE 112   2.446   4.066  14.335
  676    HA   PHE 112           HA       PHE 112   5.145   5.181  14.799
  677    HB2  PHE 112           HB2      PHE 112   4.806   2.546  14.497
  678    HB3  PHE 112           HB1      PHE 112   4.520   3.005  12.886
  679    HD1  PHE 112           HD2      PHE 112   7.120   3.649  15.469
  680    HD2  PHE 112           HD1      PHE 112   6.063   3.176  11.446
  681    HE1  PHE 112           HE2      PHE 112   9.501   3.821  14.870
  682    HE2  PHE 112           HE1      PHE 112   8.461   3.343  10.762
  683    HZ   PHE 112           HZ       PHE 112  10.173   3.678  12.495
  684    H    ASP 113           HN       ASP 113   6.121   6.172  13.029
  685    HA   ASP 113           HA       ASP 113   4.727   6.405  10.559
  686    HB2  ASP 113           HB2      ASP 113   4.338   8.749  10.614
  687    HB3  ASP 113           HB1      ASP 113   3.465   8.014  11.943
  688    H    LYS 114           HN       LYS 114   5.796   7.096   8.954
  689    HA   LYS 114           HA       LYS 114   8.544   7.868   9.535
  690    HB2  LYS 114           HB2      LYS 114   7.435   6.261   7.235
  691    HB3  LYS 114           HB1      LYS 114   9.089   6.817   7.408
  692    HG2  LYS 114           HG2      LYS 114   7.813   4.965   9.395
  693    HG3  LYS 114           HG1      LYS 114   8.648   4.467   7.917
  694    HD2  LYS 114           HD2      LYS 114   9.918   6.145  10.039
  695    HD3  LYS 114           HD1      LYS 114  10.086   4.395   9.914
  696    HE2  LYS 114           HE2      LYS 114  10.964   6.403   7.806
  697    HE3  LYS 114           HE1      LYS 114  11.961   5.386   8.874
  698    HZ1  LYS 114           HZ1      LYS 114  11.145   3.510   7.772
  699    HZ2  LYS 114           HZ2      LYS 114  11.888   4.589   6.730
  700    HZ3  LYS 114           HZ3      LYS 114  10.195   4.487   6.751
  701    H    TRP 115           HN       TRP 115   7.232   9.960   9.514
  702    HA   TRP 115           HA       TRP 115   6.146  10.750   6.966
  703    HB2  TRP 115           HB2      TRP 115   6.351  12.148   9.603
  704    HB3  TRP 115           HB1      TRP 115   5.741  12.968   8.182
  705    HD1  TRP 115           HD1      TRP 115   4.629  11.224  10.999
  706    HE1  TRP 115           HE1      TRP 115   2.124  10.478  10.746
  707    HE3  TRP 115           HE3      TRP 115   4.220  11.952   6.110
  708    HZ2  TRP 115           HZ2      TRP 115   0.261  10.276   8.588
  709    HZ3  TRP 115           HZ3      TRP 115   2.153  11.515   4.995
  710    HH2  TRP 115           HH2      TRP 115   0.182  10.687   6.194
  711    H    THR 116           HN       THR 116   6.799  12.512   5.774
  712    HA   THR 116           HA       THR 116   9.431  13.545   6.389
  713    HB   THR 116           HB       THR 116   9.492  12.036   4.415
  714    HG1  THR 116           HG1      THR 116  10.994  13.227   3.950
  715   HG21  THR 116          HG21      THR 116   8.468  12.764   2.270
  716   HG22  THR 116          HG22      THR 116   7.640  14.063   3.127
  717   HG23  THR 116          HG23      THR 116   7.244  12.384   3.478
  718    H    ASP 117           HN       ASP 117   9.573  15.751   5.406
  719    HA   ASP 117           HA       ASP 117   7.068  17.068   6.003
  720    HB2  ASP 117           HB2      ASP 117   9.821  18.205   5.591
  721    HB3  ASP 117           HB1      ASP 117   8.401  19.236   5.764
  722    H    GLN 118           HN       GLN 118   5.579  17.648   4.534
  723    HA   GLN 118           HA       GLN 118   6.406  17.855   1.820
  724    HB2  GLN 118           HB2      GLN 118   5.177  15.719   2.472
  725    HB3  GLN 118           HB1      GLN 118   4.035  16.874   3.195
  726    HG2  GLN 118           HG2      GLN 118   3.553  17.799   1.457
  727    HG3  GLN 118           HG1      GLN 118   4.525  16.841   0.300
  728   HE21  GLN 118          HE21      GLN 118   1.604  17.029   2.133
  729   HE22  GLN 118          HE22      GLN 118   0.931  15.497   1.666
  730    H    ASP 119           HN       ASP 119   5.018  19.297   0.771
  731    HA   ASP 119           HA       ASP 119   3.993  21.636   1.827
  732    HB2  ASP 119           HB2      ASP 119   4.476  21.491  -0.335
  733    HB3  ASP 119           HB1      ASP 119   3.544  19.935  -0.502
  734    H    ASP 120           HN       ASP 120   1.835  22.172   1.663
  735    HA   ASP 120           HA       ASP 120  -0.337  22.230   2.526
  736    HB2  ASP 120           HB2      ASP 120  -0.321  19.236   1.995
  737    HB3  ASP 120           HB1      ASP 120  -1.714  20.163   2.530
  738    H    ASP 121           HN       ASP 121   0.035  22.856   4.529
  739    HA   ASP 121           HA       ASP 121   0.844  20.813   6.473
  740    HB2  ASP 121           HB2      ASP 121   2.253  22.883   6.211
  741    HB3  ASP 121           HB1      ASP 121   0.897  23.803   6.837
  742    H    GLU 122           HN       GLU 122  -1.508  23.435   6.018
  743    HA   GLU 122           HA       GLU 122  -2.975  22.817   8.389
  744    HB2  GLU 122           HB2      GLU 122  -3.755  24.387   5.917
  745    HB3  GLU 122           HB1      GLU 122  -4.655  24.316   7.412
  746    HG2  GLU 122           HG2      GLU 122  -1.879  25.310   7.158
  747    HG3  GLU 122           HG1      GLU 122  -3.293  26.368   7.111
  748    H    ASP 123           HN       ASP 123  -4.031  22.777   5.040
  749    HA   ASP 123           HA       ASP 123  -5.348  20.223   5.570
  750    HB2  ASP 123           HB2      ASP 123  -6.795  20.682   3.664
  751    HB3  ASP 123           HB1      ASP 123  -7.022  21.878   4.937
  752    H    LEU 124           HN       LEU 124  -4.777  18.512   4.509
  753    HA   LEU 124           HA       LEU 124  -3.119  18.864   2.158
  754    HB2  LEU 124           HB2      LEU 124  -2.067  16.641   3.027
  755    HB3  LEU 124           HB1      LEU 124  -1.472  18.176   3.620
  756    HG   LEU 124           HG       LEU 124  -1.611  16.422   5.300
  757   HD11  LEU 124          HD11      LEU 124  -1.645  18.639   6.131
  758   HD12  LEU 124          HD12      LEU 124  -2.727  17.641   7.100
  759   HD13  LEU 124          HD13      LEU 124  -3.387  18.745   5.902
  760   HD21  LEU 124          HD21      LEU 124  -3.890  15.820   6.203
  761   HD22  LEU 124          HD22      LEU 124  -3.382  15.124   4.676
  762   HD23  LEU 124          HD23      LEU 124  -4.521  16.469   4.671
  763    H    VAL 125           HN       VAL 125  -5.774  18.636   2.131
  764    HA   VAL 125           HA       VAL 125  -6.620  15.923   1.862
  765    HB   VAL 125           HB       VAL 125  -8.042  18.545   1.313
  766   HG11  VAL 125          HG11      VAL 125 -10.149  17.337   1.252
  767   HG12  VAL 125          HG12      VAL 125  -9.321  15.813   1.530
  768   HG13  VAL 125          HG13      VAL 125  -9.075  16.681   0.010
  769   HG21  VAL 125          HG21      VAL 125  -7.463  18.225   3.622
  770   HG22  VAL 125          HG22      VAL 125  -8.182  16.616   3.606
  771   HG23  VAL 125          HG23      VAL 125  -9.209  18.039   3.424
  772    H    ASP 126           HN       ASP 126  -5.125  18.163  -0.113
  773    HA   ASP 126           HA       ASP 126  -6.267  17.489  -2.679
  774    HB2  ASP 126           HB2      ASP 126  -5.226  19.666  -2.271
  775    HB3  ASP 126           HB1      ASP 126  -3.682  18.892  -1.980
  776    H    THR 127           HN       THR 127  -4.004  16.153  -0.682
  777    HA   THR 127           HA       THR 127  -2.894  14.423  -2.770
  778    HB   THR 127           HB       THR 127  -1.118  15.862  -2.162
  779    HG1  THR 127           HG1      THR 127  -0.473  13.894  -0.303
  780   HG21  THR 127          HG21      THR 127  -2.002  16.969  -0.239
  781   HG22  THR 127          HG22      THR 127  -0.469  16.183   0.280
  782   HG23  THR 127          HG23      THR 127  -2.026  15.448   0.633
  783    H    CYS 128           HN       CYS 128  -1.777  12.504  -1.435
  784    HA   CYS 128           HA       CYS 128  -3.671  11.575   0.594
  785    HB2  CYS 128           HB2      CYS 128  -2.632   9.392  -1.083
  786    HB3  CYS 128           HB1      CYS 128  -4.181   9.688  -0.415
  787    H    ALA 129           HN       ALA 129  -2.442   9.065   1.165
  788    HA   ALA 129           HA       ALA 129   0.214  10.017   1.969
  789    HB1  ALA 129           HB1      ALA 129  -1.453   9.477   3.799
  790    HB2  ALA 129           HB2      ALA 129   0.051   8.568   3.834
  791    HB3  ALA 129           HB3      ALA 129  -1.383   7.783   3.262
  792    H    PHE 130           HN       PHE 130   1.775   9.055   0.779
  793    HA   PHE 130           HA       PHE 130   1.312   6.240   0.304
  794    HB2  PHE 130           HB2      PHE 130   2.927   7.973  -1.589
  795    HB3  PHE 130           HB1      PHE 130   2.663   6.319  -1.592
  796    HD1  PHE 130           HD1      PHE 130  -0.159   8.734  -1.233
  797    HD2  PHE 130           HD2      PHE 130   1.832   5.868  -3.660
  798    HE1  PHE 130           HE1      PHE 130  -2.034   8.762  -2.849
  799    HE2  PHE 130           HE2      PHE 130  -0.030   5.909  -5.253
  800    HZ   PHE 130           HZ       PHE 130  -1.960   7.365  -4.844
  801    H    LEU 131           HN       LEU 131   2.735   5.139   1.115
  802    HA   LEU 131           HA       LEU 131   5.208   6.113   2.188
  803    HB2  LEU 131           HB2      LEU 131   4.270   4.305   3.199
  804    HB3  LEU 131           HB1      LEU 131   4.025   3.445   1.692
  805    HG   LEU 131           HG       LEU 131   6.477   3.194   1.555
  806   HD11  LEU 131          HD11      LEU 131   7.728   3.452   3.589
  807   HD12  LEU 131          HD12      LEU 131   6.394   4.434   4.211
  808   HD13  LEU 131          HD13      LEU 131   7.277   4.950   2.771
  809   HD21  LEU 131          HD21      LEU 131   5.244   2.139   4.050
  810   HD22  LEU 131          HD22      LEU 131   6.611   1.439   3.140
  811   HD23  LEU 131          HD23      LEU 131   4.986   1.484   2.433
  812    H    HIS 132           HN       HIS 132   6.977   6.520   1.190
  813    HA   HIS 132           HA       HIS 132   7.373   6.060  -1.621
  814    HB2  HIS 132           HB2      HIS 132   8.280   8.000  -0.145
  815    HB3  HIS 132           HB1      HIS 132   9.518   6.866   0.317
  816    HD1  HIS 132           HD1      HIS 132  10.858   9.022  -0.859
  817    HD2  HIS 132           HD2      HIS 132   9.019   6.251  -3.298
  818    HE1  HIS 132           HE1      HIS 132  11.909   9.317  -3.067
  819    HE2  HIS 132           HE2      HIS 132  10.397   8.023  -4.602
  820    H    ILE 133           HN       ILE 133   8.008   4.330  -2.477
  821    HA   ILE 133           HA       ILE 133   8.981   2.069  -1.205
  822    HB   ILE 133           HB       ILE 133   8.583   3.021  -3.951
  823   HG12  ILE 133          HG12      ILE 133   6.688   1.871  -3.014
  824   HG13  ILE 133          HG11      ILE 133   7.411   0.820  -4.169
  825   HG21  ILE 133          HG21      ILE 133   9.589   0.968  -4.996
  826   HG22  ILE 133          HG22      ILE 133  10.409   0.724  -3.468
  827   HG23  ILE 133          HG23      ILE 133  10.705   2.189  -4.387
  828   HD11  ILE 133          HD11      ILE 133   6.789  -0.403  -2.276
  829   HD12  ILE 133          HD12      ILE 133   7.589   0.749  -1.225
  830   HD13  ILE 133          HD13      ILE 133   8.565  -0.312  -2.268
  831    H    LYS 134           HN       LYS 134  10.564   4.780  -2.505
  832    HA   LYS 134           HA       LYS 134  13.142   3.473  -2.634
  833    HB2  LYS 134           HB2      LYS 134  12.494   6.388  -2.876
  834    HB3  LYS 134           HB1      LYS 134  14.103   5.704  -3.073
  835    HG2  LYS 134           HG2      LYS 134  13.278   4.387  -5.020
  836    HG3  LYS 134           HG1      LYS 134  11.693   5.114  -4.754
  837    HD2  LYS 134           HD2      LYS 134  12.861   6.220  -6.589
  838    HD3  LYS 134           HD1      LYS 134  12.548   7.308  -5.237
  839    HE2  LYS 134           HE2      LYS 134  14.716   6.936  -4.431
  840    HE3  LYS 134           HE1      LYS 134  15.145   5.903  -5.796
  841    HZ1  LYS 134           HZ1      LYS 134  15.954   8.159  -6.194
  842    HZ2  LYS 134           HZ2      LYS 134  14.430   8.802  -5.948
  843    HZ3  LYS 134           HZ3      LYS 134  14.726   7.825  -7.286
  844    H    THR 135           HN       THR 135  11.731   5.912  -0.476
  845    HA   THR 135           HA       THR 135  14.087   5.487   1.217
  846    HB   THR 135           HB       THR 135  13.481   7.697   2.272
  847    HG1  THR 135           HG1      THR 135  12.076   8.953   1.316
  848   HG21  THR 135          HG21      THR 135  14.149   7.640  -0.665
  849   HG22  THR 135          HG22      THR 135  15.299   7.465   0.665
  850   HG23  THR 135          HG23      THR 135  14.438   8.990   0.430
  851    H    GLY 136           HN       GLY 136  10.628   5.472   1.258
  852    HA2  GLY 136           HA2      GLY 136   9.277   4.380   2.854
  853    HA3  GLY 136           HA1      GLY 136  10.704   4.242   3.897
  854    H    GLU 137           HN       GLU 137   9.268   6.923   2.274
  855    HA   GLU 137           HA       GLU 137   8.816   8.283   4.837
  856    HB2  GLU 137           HB2      GLU 137   9.763   9.278   2.203
  857    HB3  GLU 137           HB1      GLU 137   9.080  10.374   3.400
  858    HG2  GLU 137           HG2      GLU 137  10.780   9.816   4.941
  859    HG3  GLU 137           HG1      GLU 137  11.476   8.601   3.850
  860    H    TRP 138           HN       TRP 138   6.886   9.213   5.053
  861    HA   TRP 138           HA       TRP 138   4.918   8.406   3.072
  862    HB2  TRP 138           HB2      TRP 138   4.507   9.435   5.858
  863    HB3  TRP 138           HB1      TRP 138   3.303   8.696   4.808
  864    HD1  TRP 138           HD1      TRP 138   5.966   6.479   4.117
  865    HE1  TRP 138           HE1      TRP 138   6.116   4.554   5.783
  866    HE3  TRP 138           HE3      TRP 138   2.975   8.260   7.758
  867    HZ2  TRP 138           HZ2      TRP 138   5.147   3.826   8.100
  868    HZ3  TRP 138           HZ3      TRP 138   2.611   6.728   9.799
  869    HH2  TRP 138           HH2      TRP 138   3.664   4.604   9.909
  870    H    LYS 139           HN       LYS 139   3.350   9.705   2.448
  871    HA   LYS 139           HA       LYS 139   3.778  12.626   2.453
  872    HB2  LYS 139           HB2      LYS 139   2.659  10.740   0.378
  873    HB3  LYS 139           HB1      LYS 139   2.299  12.450   0.357
  874    HG2  LYS 139           HG2      LYS 139   4.507  13.025   0.271
  875    HG3  LYS 139           HG1      LYS 139   5.042  11.369   0.463
  876    HD2  LYS 139           HD2      LYS 139   3.458  12.498  -1.888
  877    HD3  LYS 139           HD1      LYS 139   5.199  12.254  -1.915
  878    HE2  LYS 139           HE2      LYS 139   4.790   9.839  -1.516
  879    HE3  LYS 139           HE1      LYS 139   3.069  10.142  -1.672
  880    HZ1  LYS 139           HZ1      LYS 139   4.967  10.915  -3.805
  881    HZ2  LYS 139           HZ2      LYS 139   3.299  10.694  -3.964
  882    HZ3  LYS 139           HZ3      LYS 139   4.336   9.382  -3.772
  883    H    LYS 140           HN       LYS 140   2.104  13.801   2.674
  884    HA   LYS 140           HA       LYS 140   0.184  12.594   4.550
  885    HB2  LYS 140           HB2      LYS 140   0.736  15.476   3.954
  886    HB3  LYS 140           HB1      LYS 140  -0.447  14.892   5.108
  887    HG2  LYS 140           HG2      LYS 140   1.366  13.796   6.355
  888    HG3  LYS 140           HG1      LYS 140   2.523  14.510   5.227
  889    HD2  LYS 140           HD2      LYS 140   1.629  16.695   5.773
  890    HD3  LYS 140           HD1      LYS 140   0.597  15.974   6.997
  891    HE2  LYS 140           HE2      LYS 140   2.482  15.101   8.193
  892    HE3  LYS 140           HE1      LYS 140   3.610  15.737   6.991
  893    HZ1  LYS 140           HZ1      LYS 140   2.836  17.995   7.629
  894    HZ2  LYS 140           HZ2      LYS 140   3.579  17.178   8.882
  895    HZ3  LYS 140           HZ3      LYS 140   1.905  17.312   8.865
  896    H    GLY 141           HN       GLY 141  -1.995  12.463   4.223
  897    HA2  GLY 141           HA2      GLY 141  -3.701  14.142   3.077
  898    HA3  GLY 141           HA1      GLY 141  -2.986  13.379   1.683
  899    H    ASN 142           HN       ASN 142  -5.330  13.023   1.539
  900    HA   ASN 142           HA       ASN 142  -5.911  10.301   2.390
  901    HB2  ASN 142           HB2      ASN 142  -8.398  10.941   2.301
  902    HB3  ASN 142           HB1      ASN 142  -7.540  11.450   3.744
  903   HD21  ASN 142          HD21      ASN 142  -7.351  13.172   0.625
  904   HD22  ASN 142          HD22      ASN 142  -8.288  14.517   1.135
  905    H    CYS 143           HN       CYS 143  -6.644   9.001   0.649
  906    HA   CYS 143           HA       CYS 143  -6.181  10.422  -1.777
  907    HB2  CYS 143           HB2      CYS 143  -5.380   7.917  -1.045
  908    HB3  CYS 143           HB1      CYS 143  -6.641   7.623  -2.250
  909    H    GLU 144           HN       GLU 144  -7.971  11.517  -1.508
  910    HA   GLU 144           HA       GLU 144 -10.418  10.276  -2.424
  911    HB2  GLU 144           HB2      GLU 144  -9.783  13.156  -1.755
  912    HB3  GLU 144           HB1      GLU 144 -11.386  12.528  -2.092
  913    HG2  GLU 144           HG2      GLU 144  -9.689  11.587   0.227
  914    HG3  GLU 144           HG1      GLU 144 -10.897  12.876   0.354
  915    H    VAL 145           HN       VAL 145  -8.047  10.458  -3.977
  916    HA   VAL 145           HA       VAL 145  -9.012  11.960  -6.313
  917    HB   VAL 145           HB       VAL 145  -6.775  12.221  -7.158
  918   HG11  VAL 145          HG11      VAL 145  -5.752  13.652  -5.456
  919   HG12  VAL 145          HG12      VAL 145  -6.900  12.991  -4.276
  920   HG13  VAL 145          HG13      VAL 145  -7.487  13.913  -5.663
  921   HG21  VAL 145          HG21      VAL 145  -5.772  10.125  -6.439
  922   HG22  VAL 145          HG22      VAL 145  -5.793  10.662  -4.758
  923   HG23  VAL 145          HG23      VAL 145  -4.764  11.480  -5.936
  924    H    SER 146           HN       SER 146  -8.421  10.962  -8.387
  925    HA   SER 146           HA       SER 146  -9.204   8.188  -8.205
  926    HB2  SER 146           HB2      SER 146  -8.957   9.910 -10.609
  927    HB3  SER 146           HB1      SER 146  -9.803   8.356 -10.461
  928    HG   SER 146           HG       SER 146 -10.791   9.726  -8.560
  929    H    SER 147           HN       SER 147  -6.298   9.677  -8.387
  930    HA   SER 147           HA       SER 147  -5.070   8.257 -10.508
  931    HB2  SER 147           HB2      SER 147  -3.832   9.799  -8.282
  932    HB3  SER 147           HB1      SER 147  -3.057   9.385  -9.814
  933    HG   SER 147           HG       SER 147  -4.814  10.568 -10.826
  934    H    VAL 148           HN       VAL 148  -6.175   6.563  -8.300
  935    HA   VAL 148           HA       VAL 148  -3.641   5.292  -7.550
  936    HB   VAL 148           HB       VAL 148  -6.150   4.574  -6.016
  937   HG11  VAL 148          HG11      VAL 148  -4.272   3.133  -5.930
  938   HG12  VAL 148          HG12      VAL 148  -4.675   3.851  -4.397
  939   HG13  VAL 148          HG13      VAL 148  -3.274   4.449  -5.305
  940   HG21  VAL 148          HG21      VAL 148  -5.905   7.028  -5.918
  941   HG22  VAL 148          HG22      VAL 148  -4.237   6.813  -5.382
  942   HG23  VAL 148          HG23      VAL 148  -5.571   6.248  -4.374
  943    H    GLU 149           HN       GLU 149  -3.196   3.480  -8.232
  944    HA   GLU 149           HA       GLU 149  -5.178   1.814  -9.621
  945    HB2  GLU 149           HB2      GLU 149  -2.346   2.331 -10.504
  946    HB3  GLU 149           HB1      GLU 149  -3.439   1.125 -11.170
  947    HG2  GLU 149           HG2      GLU 149  -4.798   2.680 -12.141
  948    HG3  GLU 149           HG1      GLU 149  -4.188   4.009 -11.165
  949    H    GLY 150           HN       GLY 150  -3.510   1.881  -6.980
  950    HA2  GLY 150           HA2      GLY 150  -3.525  -0.906  -6.655
  951    HA3  GLY 150           HA1      GLY 150  -1.893  -0.370  -7.033
  952    H    THR 151           HN       THR 151  -3.447  -1.416  -4.635
  953    HA   THR 151           HA       THR 151  -2.147   0.378  -2.773
  954    HB   THR 151           HB       THR 151  -4.460   1.030  -2.591
  955    HG1  THR 151           HG1      THR 151  -4.233  -0.778  -0.469
  956   HG21  THR 151          HG21      THR 151  -5.090  -1.906  -2.255
  957   HG22  THR 151          HG22      THR 151  -5.497  -0.923  -3.662
  958   HG23  THR 151          HG23      THR 151  -6.246  -0.582  -2.100
  959    H    LEU 152           HN       LEU 152  -1.514  -0.633  -0.862
  960    HA   LEU 152           HA       LEU 152  -1.193  -3.512  -1.143
  961    HB2  LEU 152           HB2      LEU 152   0.774  -2.055  -0.477
  962    HB3  LEU 152           HB1      LEU 152  -0.091  -1.733   0.999
  963    HG   LEU 152           HG       LEU 152  -0.366  -4.210   1.244
  964   HD11  LEU 152          HD11      LEU 152   0.467  -4.960  -0.849
  965   HD12  LEU 152          HD12      LEU 152   1.399  -5.601   0.506
  966   HD13  LEU 152          HD13      LEU 152   2.073  -4.295  -0.470
  967   HD21  LEU 152          HD21      LEU 152   2.064  -4.334   2.108
  968   HD22  LEU 152          HD22      LEU 152   0.715  -3.508   2.859
  969   HD23  LEU 152          HD23      LEU 152   1.893  -2.564   1.885
  970    H    CYS 153           HN       CYS 153  -2.116  -4.853   0.180
  971    HA   CYS 153           HA       CYS 153  -4.075  -3.706   2.007
  972    HB2  CYS 153           HB2      CYS 153  -4.030  -6.415   0.775
  973    HB3  CYS 153           HB1      CYS 153  -5.365  -5.634   1.604
  974    H    LYS 154           HN       LYS 154  -4.214  -4.482   3.965
  975    HA   LYS 154           HA       LYS 154  -2.312  -6.497   4.841
  976    HB2  LYS 154           HB2      LYS 154  -1.347  -4.410   5.505
  977    HB3  LYS 154           HB1      LYS 154  -2.876  -3.837   6.190
  978    HG2  LYS 154           HG2      LYS 154  -2.683  -5.679   7.863
  979    HG3  LYS 154           HG1      LYS 154  -1.097  -6.056   7.198
  980    HD2  LYS 154           HD2      LYS 154  -0.366  -3.758   7.711
  981    HD3  LYS 154           HD1      LYS 154  -1.944  -3.446   8.438
  982    HE2  LYS 154           HE2      LYS 154  -0.058  -5.596   9.290
  983    HE3  LYS 154           HE1      LYS 154  -0.157  -4.020  10.104
  984    HZ1  LYS 154           HZ1      LYS 154  -2.642  -4.745  10.424
  985    HZ2  LYS 154           HZ2      LYS 154  -1.451  -5.371  11.379
  986    HZ3  LYS 154           HZ3      LYS 154  -2.040  -6.312  10.137
  987    H    THR 155           HN       THR 155  -3.238  -7.885   6.238
  988    HA   THR 155           HA       THR 155  -5.791  -7.221   7.417
  989    HB   THR 155           HB       THR 155  -6.305  -8.254   5.210
  990    HG1  THR 155           HG1      THR 155  -7.755  -8.607   6.865
  991   HG21  THR 155          HG21      THR 155  -4.324  -9.649   4.976
  992   HG22  THR 155          HG22      THR 155  -5.774 -10.659   4.817
  993   HG23  THR 155          HG23      THR 155  -4.836 -10.642   6.323
  994    H    ALA 156           HN       ALA 156  -5.852  -8.022   9.429
  995    HA   ALA 156           HA       ALA 156  -3.540  -9.388  10.413
  996    HB1  ALA 156           HB1      ALA 156  -4.744  -7.733  11.782
  997    HB2  ALA 156           HB2      ALA 156  -4.692  -9.342  12.531
  998    HB3  ALA 156           HB3      ALA 156  -6.159  -8.800  11.734
  999    H    ILE 157           HN       ILE 157  -3.397 -11.543  10.930
 1000    HA   ILE 157           HA       ILE 157  -5.679 -13.014  10.090
 1001    HB   ILE 157           HB       ILE 157  -4.168 -14.990  10.317
 1002   HG12  ILE 157          HG12      ILE 157  -2.134 -12.880  10.213
 1003   HG13  ILE 157          HG11      ILE 157  -2.543 -13.680  11.718
 1004   HG21  ILE 157          HG21      ILE 157  -3.152 -14.594   8.133
 1005   HG22  ILE 157          HG22      ILE 157  -3.437 -12.858   8.302
 1006   HG23  ILE 157          HG23      ILE 157  -4.804 -13.974   8.160
 1007   HD11  ILE 157          HD11      ILE 157  -1.536 -14.895   9.238
 1008   HD12  ILE 157          HD12      ILE 157  -2.108 -15.751  10.692
 1009   HD13  ILE 157          HD13      ILE 157  -0.632 -14.711  10.778
 1010    HA   PRO 158           HA       PRO 158  -6.516 -13.626  14.466
 1011    HB2  PRO 158           HB2      PRO 158  -8.942 -14.905  13.549
 1012    HB3  PRO 158           HB1      PRO 158  -8.742 -13.330  14.343
 1013    HG2  PRO 158           HG2      PRO 158  -9.506 -13.660  11.722
 1014    HG3  PRO 158           HG1      PRO 158  -8.827 -12.179  12.421
 1015    HD2  PRO 158           HD2      PRO 158  -7.412 -14.171  10.661
 1016    HD3  PRO 158           HD1      PRO 158  -7.121 -12.484  10.919
 1017    H    TYR 159           HN       TYR 159  -5.740 -15.490  12.141
 1018    HA   TYR 159           HA       TYR 159  -6.323 -18.174  12.936
 1019    HB2  TYR 159           HB2      TYR 159  -4.256 -16.992  11.102
 1020    HB3  TYR 159           HB1      TYR 159  -4.355 -18.742  11.360
 1021    HD1  TYR 159           HD1      TYR 159  -6.091 -15.751  10.280
 1022    HD2  TYR 159           HD2      TYR 159  -5.829 -19.937   9.987
 1023    HE1  TYR 159           HE1      TYR 159  -7.577 -15.661   8.408
 1024    HE2  TYR 159           HE2      TYR 159  -7.380 -19.923   8.069
 1025    HH   TYR 159           HH       TYR 159  -8.222 -16.974   6.506
 1026    H    LYS 160           HN       LYS 160  -3.822 -15.852  13.440
 1027    HA   LYS 160           HA       LYS 160  -2.732 -17.464  15.558
 1028    HB2  LYS 160           HB2      LYS 160  -1.212 -16.043  13.414
 1029    HB3  LYS 160           HB1      LYS 160  -0.423 -16.575  14.914
 1030    HG2  LYS 160           HG2      LYS 160  -1.199 -18.855  14.347
 1031    HG3  LYS 160           HG1      LYS 160  -1.763 -18.242  12.797
 1032    HD2  LYS 160           HD2      LYS 160   0.524 -17.581  12.236
 1033    HD3  LYS 160           HD1      LYS 160   1.083 -18.186  13.801
 1034    HE2  LYS 160           HE2      LYS 160   0.221 -20.419  13.205
 1035    HE3  LYS 160           HE1      LYS 160  -0.216 -19.801  11.613
 1036    HZ1  LYS 160           HZ1      LYS 160   2.146 -19.313  11.249
 1037    HZ2  LYS 160           HZ2      LYS 160   1.855 -20.929  11.500
 1038    HZ3  LYS 160           HZ3      LYS 160   2.519 -20.001  12.745
 1039    H    ARG 161           HN       ARG 161  -4.008 -16.281  16.831
 1040    HA   ARG 161           HA       ARG 161  -3.067 -13.600  17.489
 1041    HB2  ARG 161           HB2      ARG 161  -5.100 -13.365  16.133
 1042    HB3  ARG 161           HB1      ARG 161  -5.947 -14.471  17.200
 1043    HG2  ARG 161           HG2      ARG 161  -5.704 -12.887  19.039
 1044    HG3  ARG 161           HG1      ARG 161  -4.835 -11.783  17.971
 1045    HD2  ARG 161           HD2      ARG 161  -7.169 -11.169  18.230
 1046    HD3  ARG 161           HD1      ARG 161  -6.789 -11.566  16.554
 1047    HE   ARG 161           HE       ARG 161  -7.754 -13.826  17.982
 1048   HH11  ARG 161          HH11      ARG 161  -8.953 -10.862  16.442
 1049   HH12  ARG 161          HH12      ARG 161 -10.446 -11.519  16.005
 1050   HH21  ARG 161          HH21      ARG 161  -9.845 -14.740  17.380
 1051   HH22  ARG 161          HH22      ARG 161 -10.973 -13.776  16.567
  Start of MODEL    6
    1    H1   MET  22           HT1      MET  22  -0.164 -22.622   6.699
    2    H2   MET  22           HT2      MET  22  -1.389 -22.269   7.814
    3    H3   MET  22           HT3      MET  22  -0.275 -21.093   7.404
    4    HA   MET  22           HA       MET  22  -1.098 -20.965   5.188
    5    HB2  MET  22           HB2      MET  22  -3.173 -22.987   6.101
    6    HB3  MET  22           HB1      MET  22  -3.150 -22.161   4.555
    7    HG2  MET  22           HG2      MET  22  -1.035 -23.309   4.003
    8    HG3  MET  22           HG1      MET  22  -1.130 -24.160   5.540
    9    HE1  MET  22           HE1      MET  22  -2.676 -23.718   1.960
   10    HE2  MET  22           HE2      MET  22  -4.049 -23.270   2.974
   11    HE3  MET  22           HE3      MET  22  -4.094 -24.759   2.034
   12    H    ASP  23           HN       ASP  23  -1.352 -18.937   6.024
   13    HA   ASP  23           HA       ASP  23  -3.947 -18.434   7.346
   14    HB2  ASP  23           HB2      ASP  23  -1.408 -16.801   7.566
   15    HB3  ASP  23           HB1      ASP  23  -2.935 -16.452   8.362
   16    H    CYS  24           HN       CYS  24  -1.916 -17.818   4.736
   17    HA   CYS  24           HA       CYS  24  -3.415 -15.505   3.925
   18    HB2  CYS  24           HB2      CYS  24  -0.854 -16.702   2.886
   19    HB3  CYS  24           HB1      CYS  24  -1.680 -15.289   2.248
   20    HA   PRO  25           HA       PRO  25  -6.113 -17.695   1.157
   21    HB2  PRO  25           HB2      PRO  25  -5.556 -15.285  -0.520
   22    HB3  PRO  25           HB1      PRO  25  -7.120 -16.024  -0.128
   23    HG2  PRO  25           HG2      PRO  25  -6.414 -13.863   1.121
   24    HG3  PRO  25           HG1      PRO  25  -7.112 -15.211   2.050
   25    HD2  PRO  25           HD2      PRO  25  -4.284 -14.311   1.873
   26    HD3  PRO  25           HD1      PRO  25  -5.203 -14.938   3.256
   27    H    SER  26           HN       SER  26  -3.345 -16.081  -0.456
   28    HA   SER  26           HA       SER  26  -2.930 -18.485  -2.051
   29    HB2  SER  26           HB2      SER  26  -3.177 -15.701  -3.241
   30    HB3  SER  26           HB1      SER  26  -2.770 -17.163  -4.129
   31    HG   SER  26           HG       SER  26  -5.063 -17.480  -2.695
   32    H    SER  27           HN       SER  27  -0.749 -18.230  -3.336
   33    HA   SER  27           HA       SER  27   1.348 -17.789  -1.579
   34    HB2  SER  27           HB2      SER  27   1.459 -17.738  -4.557
   35    HB3  SER  27           HB1      SER  27   2.720 -18.277  -3.443
   36    HG   SER  27           HG       SER  27   1.645 -20.107  -3.077
   37    H    THR  28           HN       THR  28  -0.244 -15.632  -3.827
   38    HA   THR  28           HA       THR  28   1.703 -13.647  -4.154
   39    HB   THR  28           HB       THR  28  -1.289 -13.270  -4.145
   40    HG1  THR  28           HG1      THR  28   0.423 -14.668  -5.907
   41   HG21  THR  28          HG21      THR  28   0.073 -11.260  -4.547
   42   HG22  THR  28          HG22      THR  28  -0.778 -11.718  -6.011
   43   HG23  THR  28          HG23      THR  28   0.936 -12.080  -5.835
   44    H    TRP  29           HN       TRP  29  -0.141 -14.540  -1.444
   45    HA   TRP  29           HA       TRP  29  -0.214 -11.932  -0.236
   46    HB2  TRP  29           HB2      TRP  29  -1.263 -14.645   0.477
   47    HB3  TRP  29           HB1      TRP  29  -1.328 -13.285   1.595
   48    HD1  TRP  29           HD1      TRP  29  -2.618 -14.308  -1.829
   49    HE1  TRP  29           HE1      TRP  29  -4.889 -13.114  -2.246
   50    HE3  TRP  29           HE3      TRP  29  -2.691 -11.639   2.281
   51    HZ2  TRP  29           HZ2      TRP  29  -6.472 -11.211  -0.877
   52    HZ3  TRP  29           HZ3      TRP  29  -4.667 -10.071   2.748
   53    HH2  TRP  29           HH2      TRP  29  -6.476  -9.926   1.178
   54    H    ILE  30           HN       ILE  30   1.179 -11.335   1.210
   55    HA   ILE  30           HA       ILE  30   3.367 -13.144   1.966
   56    HB   ILE  30           HB       ILE  30   3.289 -10.123   1.559
   57   HG12  ILE  30          HG12      ILE  30   4.535 -12.411   0.038
   58   HG13  ILE  30          HG11      ILE  30   3.169 -11.435  -0.452
   59   HG21  ILE  30          HG21      ILE  30   5.671 -10.080   1.940
   60   HG22  ILE  30          HG22      ILE  30   5.723 -11.803   2.259
   61   HG23  ILE  30          HG23      ILE  30   4.877 -10.711   3.380
   62   HD11  ILE  30          HD11      ILE  30   4.595  -9.504  -0.534
   63   HD12  ILE  30          HD12      ILE  30   5.099 -10.808  -1.603
   64   HD13  ILE  30          HD13      ILE  30   5.979 -10.519  -0.091
   65    H    GLN  31           HN       GLN  31   3.339 -13.784   3.995
   66    HA   GLN  31           HA       GLN  31   1.679 -12.409   5.946
   67    HB2  GLN  31           HB2      GLN  31   1.556 -14.865   5.684
   68    HB3  GLN  31           HB1      GLN  31   3.241 -14.984   6.158
   69    HG2  GLN  31           HG2      GLN  31   2.580 -14.030   8.431
   70    HG3  GLN  31           HG1      GLN  31   0.946 -14.041   7.836
   71   HE21  GLN  31          HE21      GLN  31   0.518 -15.384   9.578
   72   HE22  GLN  31          HE22      GLN  31   0.663 -17.097   9.408
   73    H    PHE  32           HN       PHE  32   2.485 -11.084   7.428
   74    HA   PHE  32           HA       PHE  32   5.259 -11.331   8.166
   75    HB2  PHE  32           HB2      PHE  32   5.198  -9.770   6.337
   76    HB3  PHE  32           HB1      PHE  32   3.925  -8.856   7.109
   77    HD1  PHE  32           HD2      PHE  32   7.452  -9.935   7.547
   78    HD2  PHE  32           HD1      PHE  32   4.452  -7.083   8.408
   79    HE1  PHE  32           HE2      PHE  32   9.162  -8.469   8.517
   80    HE2  PHE  32           HE1      PHE  32   6.156  -5.579   9.385
   81    HZ   PHE  32           HZ       PHE  32   8.526  -6.275   9.416
   82    H    GLN  33           HN       GLN  33   5.307 -11.447  10.225
   83    HA   GLN  33           HA       GLN  33   5.017 -11.224  12.405
   84    HB2  GLN  33           HB2      GLN  33   3.601  -8.655  11.693
   85    HB3  GLN  33           HB1      GLN  33   4.088  -9.119  13.317
   86    HG2  GLN  33           HG2      GLN  33   6.399  -9.058  12.738
   87    HG3  GLN  33           HG1      GLN  33   6.021  -8.858  11.031
   88   HE21  GLN  33          HE21      GLN  33   7.644  -7.203  12.711
   89   HE22  GLN  33          HE22      GLN  33   6.925  -5.631  12.665
   90    H    ASP  34           HN       ASP  34   1.916  -9.879  11.398
   91    HA   ASP  34           HA       ASP  34   0.578 -12.320  12.157
   92    HB2  ASP  34           HB2      ASP  34  -0.800 -11.393  13.930
   93    HB3  ASP  34           HB1      ASP  34   0.878 -11.069  14.339
   94    H    SER  35           HN       SER  35   0.954 -10.460   9.874
   95    HA   SER  35           HA       SER  35  -1.862 -10.308   9.233
   96    HB2  SER  35           HB2      SER  35   0.118  -8.124   8.730
   97    HB3  SER  35           HB1      SER  35  -1.506  -8.155   8.113
   98    HG   SER  35           HG       SER  35  -1.373  -8.596  10.818
   99    H    CYS  36           HN       CYS  36  -2.140 -10.069   6.903
  100    HA   CYS  36           HA       CYS  36   0.151 -11.022   5.287
  101    HB2  CYS  36           HB2      CYS  36  -1.807 -12.728   5.845
  102    HB3  CYS  36           HB1      CYS  36  -2.676 -11.691   4.717
  103    H    TYR  37           HN       TYR  37   0.411 -10.351   3.476
  104    HA   TYR  37           HA       TYR  37  -0.775  -7.731   2.920
  105    HB2  TYR  37           HB2      TYR  37   1.954  -8.856   2.916
  106    HB3  TYR  37           HB1      TYR  37   1.657  -7.363   2.167
  107    HD1  TYR  37           HD1      TYR  37   1.679  -9.149   5.096
  108    HD2  TYR  37           HD2      TYR  37   1.250  -5.480   3.414
  109    HE1  TYR  37           HE1      TYR  37   2.062  -8.215   7.359
  110    HE2  TYR  37           HE2      TYR  37   1.590  -4.347   5.595
  111    HH   TYR  37           HH       TYR  37   1.967  -4.620   7.636
  112    H    ILE  38           HN       ILE  38  -1.260  -7.290   0.860
  113    HA   ILE  38           HA       ILE  38  -0.017  -8.723  -1.301
  114    HB   ILE  38           HB       ILE  38  -1.952 -10.158  -0.866
  115   HG12  ILE  38          HG12      ILE  38  -2.243  -8.503  -3.387
  116   HG13  ILE  38          HG11      ILE  38  -1.189  -9.888  -3.175
  117   HG21  ILE  38          HG21      ILE  38  -3.408  -8.592   0.217
  118   HG22  ILE  38          HG22      ILE  38  -4.233  -9.309  -1.171
  119   HG23  ILE  38          HG23      ILE  38  -3.581  -7.671  -1.278
  120   HD11  ILE  38          HD11      ILE  38  -3.185 -10.468  -4.423
  121   HD12  ILE  38          HD12      ILE  38  -4.187  -9.942  -3.057
  122   HD13  ILE  38          HD13      ILE  38  -3.110 -11.324  -2.881
  123    H    PHE  39           HN       PHE  39   0.329  -7.449  -3.060
  124    HA   PHE  39           HA       PHE  39  -0.968  -4.803  -2.977
  125    HB2  PHE  39           HB2      PHE  39   1.677  -5.371  -3.525
  126    HB3  PHE  39           HB1      PHE  39   0.943  -5.442  -5.057
  127    HD1  PHE  39           HD1      PHE  39   0.567  -3.136  -2.208
  128    HD2  PHE  39           HD2      PHE  39   1.114  -3.638  -6.341
  129    HE1  PHE  39           HE1      PHE  39   0.565  -0.701  -2.482
  130    HE2  PHE  39           HE2      PHE  39   1.111  -1.188  -6.639
  131    HZ   PHE  39           HZ       PHE  39   0.829   0.274  -4.724
  132    H    LEU  40           HN       LEU  40  -2.587  -4.586  -4.310
  133    HA   LEU  40           HA       LEU  40  -2.259  -6.101  -6.591
  134    HB2  LEU  40           HB2      LEU  40  -4.905  -5.916  -6.672
  135    HB3  LEU  40           HB1      LEU  40  -4.082  -7.309  -6.009
  136    HG   LEU  40           HG       LEU  40  -5.989  -6.748  -4.682
  137   HD11  LEU  40          HD11      LEU  40  -3.488  -5.997  -3.273
  138   HD12  LEU  40          HD12      LEU  40  -4.149  -7.601  -3.445
  139   HD13  LEU  40          HD13      LEU  40  -5.004  -6.388  -2.469
  140   HD21  LEU  40          HD21      LEU  40  -6.286  -4.398  -5.246
  141   HD22  LEU  40          HD22      LEU  40  -4.846  -3.978  -4.320
  142   HD23  LEU  40          HD23      LEU  40  -6.269  -4.618  -3.499
  143    H    GLN  41           HN       GLN  41  -1.487  -4.655  -7.839
  144    HA   GLN  41           HA       GLN  41  -2.591  -2.080  -7.918
  145    HB2  GLN  41           HB2      GLN  41  -0.887  -3.462  -9.987
  146    HB3  GLN  41           HB1      GLN  41  -1.439  -1.800 -10.130
  147    HG2  GLN  41           HG2      GLN  41  -0.418  -1.265  -8.021
  148    HG3  GLN  41           HG1      GLN  41   0.180  -2.916  -7.900
  149   HE21  GLN  41          HE21      GLN  41   2.367  -2.193  -7.791
  150   HE22  GLN  41          HE22      GLN  41   3.073  -1.518  -9.225
  151    H    GLU  42           HN       GLU  42  -4.675  -2.138  -8.058
  152    HA   GLU  42           HA       GLU  42  -6.036  -3.130 -10.473
  153    HB2  GLU  42           HB2      GLU  42  -7.022  -2.461  -7.719
  154    HB3  GLU  42           HB1      GLU  42  -8.098  -2.909  -9.013
  155    HG2  GLU  42           HG2      GLU  42  -5.915  -4.675  -7.874
  156    HG3  GLU  42           HG1      GLU  42  -7.607  -4.793  -7.421
  157    H    ALA  43           HN       ALA  43  -6.565  -1.546 -11.844
  158    HA   ALA  43           HA       ALA  43  -6.474   1.252 -10.996
  159    HB1  ALA  43           HB1      ALA  43  -5.442   0.642 -13.127
  160    HB2  ALA  43           HB2      ALA  43  -6.789   1.753 -13.369
  161    HB3  ALA  43           HB3      ALA  43  -6.990   0.035 -13.715
  162    H    ILE  44           HN       ILE  44  -8.230   2.120 -10.186
  163    HA   ILE  44           HA       ILE  44 -10.826   1.531 -11.369
  164    HB   ILE  44           HB       ILE  44 -11.987   1.300  -9.261
  165   HG12  ILE  44          HG12      ILE  44  -9.350   1.205  -7.818
  166   HG13  ILE  44          HG11      ILE  44 -10.327   2.664  -7.956
  167   HG21  ILE  44          HG21      ILE  44  -9.732  -0.692  -9.434
  168   HG22  ILE  44          HG22      ILE  44 -11.300  -0.812 -10.221
  169   HG23  ILE  44          HG23      ILE  44 -11.179  -0.900  -8.468
  170   HD11  ILE  44          HD11      ILE  44 -10.722   1.550  -5.844
  171   HD12  ILE  44          HD12      ILE  44 -11.195   0.080  -6.710
  172   HD13  ILE  44          HD13      ILE  44 -12.159   1.551  -6.869
  173    H    LYS  45           HN       LYS  45 -12.407   3.125 -10.909
  174    HA   LYS  45           HA       LYS  45 -11.421   5.730 -10.681
  175    HB2  LYS  45           HB2      LYS  45 -13.480   5.168 -11.898
  176    HB3  LYS  45           HB1      LYS  45 -14.246   4.694 -10.381
  177    HG2  LYS  45           HG2      LYS  45 -15.047   6.844 -10.814
  178    HG3  LYS  45           HG1      LYS  45 -13.780   7.069  -9.607
  179    HD2  LYS  45           HD2      LYS  45 -12.206   7.534 -11.497
  180    HD3  LYS  45           HD1      LYS  45 -13.604   7.541 -12.568
  181    HE2  LYS  45           HE2      LYS  45 -13.029   9.421 -10.290
  182    HE3  LYS  45           HE1      LYS  45 -13.134   9.815 -11.999
  183    HZ1  LYS  45           HZ1      LYS  45 -15.563   9.112 -11.817
  184    HZ2  LYS  45           HZ2      LYS  45 -15.112  10.521 -11.022
  185    HZ3  LYS  45           HZ3      LYS  45 -15.310   9.115 -10.126
  186    H    VAL  46           HN       VAL  46 -10.610   6.316  -8.767
  187    HA   VAL  46           HA       VAL  46 -11.870   5.430  -6.303
  188    HB   VAL  46           HB       VAL  46  -9.316   6.979  -6.710
  189   HG11  VAL  46          HG11      VAL  46 -10.341   7.293  -4.482
  190   HG12  VAL  46          HG12      VAL  46  -8.807   6.441  -4.427
  191   HG13  VAL  46          HG13      VAL  46 -10.311   5.549  -4.263
  192   HG21  VAL  46          HG21      VAL  46  -9.154   4.849  -7.719
  193   HG22  VAL  46          HG22      VAL  46  -9.858   4.085  -6.294
  194   HG23  VAL  46          HG23      VAL  46  -8.247   4.826  -6.192
  195    H    GLU  47           HN       GLU  47 -13.394   6.562  -5.677
  196    HA   GLU  47           HA       GLU  47 -13.719   9.356  -6.281
  197    HB2  GLU  47           HB2      GLU  47 -15.387   7.498  -4.536
  198    HB3  GLU  47           HB1      GLU  47 -15.762   9.115  -5.085
  199    HG2  GLU  47           HG2      GLU  47 -15.097   7.125  -6.864
  200    HG3  GLU  47           HG1      GLU  47 -16.798   7.141  -6.331
  201    H    SER  48           HN       SER  48 -13.006   7.263  -3.554
  202    HA   SER  48           HA       SER  48 -11.884   9.433  -2.004
  203    HB2  SER  48           HB2      SER  48 -14.144   7.643  -1.119
  204    HB3  SER  48           HB1      SER  48 -13.082   8.589  -0.076
  205    HG   SER  48           HG       SER  48 -13.851  10.413  -0.833
  206    H    ILE  49           HN       ILE  49 -10.672   8.437  -0.134
  207    HA   ILE  49           HA       ILE  49  -9.207   6.339  -1.163
  208    HB   ILE  49           HB       ILE  49  -8.299   7.977   0.417
  209   HG12  ILE  49          HG12      ILE  49  -8.122   5.070   1.186
  210   HG13  ILE  49          HG11      ILE  49  -7.338   5.860   0.056
  211   HG21  ILE  49          HG21      ILE  49 -10.043   8.290   1.903
  212   HG22  ILE  49          HG22      ILE  49  -8.746   7.392   2.822
  213   HG23  ILE  49          HG23      ILE  49 -10.140   6.529   2.109
  214   HD11  ILE  49          HD11      ILE  49  -5.816   5.784   2.043
  215   HD12  ILE  49          HD12      ILE  49  -6.936   6.892   2.861
  216   HD13  ILE  49          HD13      ILE  49  -6.105   7.410   1.430
  217    H    GLU  50           HN       GLU  50 -11.909   6.398   0.703
  218    HA   GLU  50           HA       GLU  50 -12.135   3.755   1.671
  219    HB2  GLU  50           HB2      GLU  50 -14.299   5.486   0.477
  220    HB3  GLU  50           HB1      GLU  50 -14.626   3.991   1.323
  221    HG2  GLU  50           HG2      GLU  50 -13.185   6.259   2.642
  222    HG3  GLU  50           HG1      GLU  50 -14.940   6.202   2.561
  223    H    ASP  51           HN       ASP  51 -12.569   5.020  -1.655
  224    HA   ASP  51           HA       ASP  51 -13.758   2.782  -2.796
  225    HB2  ASP  51           HB2      ASP  51 -12.223   5.120  -3.826
  226    HB3  ASP  51           HB1      ASP  51 -12.773   3.893  -4.882
  227    H    VAL  52           HN       VAL  52 -10.522   3.760  -2.197
  228    HA   VAL  52           HA       VAL  52  -9.441   1.768  -3.976
  229    HB   VAL  52           HB       VAL  52  -8.274   3.849  -3.982
  230   HG11  VAL  52          HG11      VAL  52  -7.428   5.033  -2.243
  231   HG12  VAL  52          HG12      VAL  52  -8.353   3.957  -1.150
  232   HG13  VAL  52          HG13      VAL  52  -9.177   4.864  -2.428
  233   HG21  VAL  52          HG21      VAL  52  -6.030   3.265  -2.913
  234   HG22  VAL  52          HG22      VAL  52  -6.637   2.167  -4.137
  235   HG23  VAL  52          HG23      VAL  52  -6.845   1.769  -2.410
  236    H    ARG  53           HN       ARG  53  -9.955   2.433  -0.691
  237    HA   ARG  53           HA       ARG  53  -8.319   0.416   0.279
  238    HB2  ARG  53           HB2      ARG  53  -8.978   1.497   2.397
  239    HB3  ARG  53           HB1      ARG  53  -9.299   2.621   1.182
  240    HG2  ARG  53           HG2      ARG  53 -10.950   2.700   2.662
  241    HG3  ARG  53           HG1      ARG  53 -11.485   1.947   1.098
  242    HD2  ARG  53           HD2      ARG  53 -11.823  -0.099   2.137
  243    HD3  ARG  53           HD1      ARG  53 -10.375   0.308   3.087
  244    HE   ARG  53           HE       ARG  53 -11.584   1.403   4.653
  245   HH11  ARG  53          HH11      ARG  53 -13.731  -0.229   2.321
  246   HH12  ARG  53          HH12      ARG  53 -15.054  -0.296   3.383
  247   HH21  ARG  53          HH21      ARG  53 -13.489   1.286   6.098
  248   HH22  ARG  53          HH22      ARG  53 -14.934   0.570   5.526
  249    H    ASN  54           HN       ASN  54 -11.378   0.591  -1.045
  250    HA   ASN  54           HA       ASN  54 -12.735  -1.748  -0.255
  251    HB2  ASN  54           HB2      ASN  54 -12.727  -0.145  -2.748
  252    HB3  ASN  54           HB1      ASN  54 -13.682  -1.627  -2.669
  253   HD21  ASN  54          HD21      ASN  54 -14.653   1.023  -3.084
  254   HD22  ASN  54          HD22      ASN  54 -15.645   1.431  -1.737
  255    H    GLN  55           HN       GLN  55 -10.157  -1.229  -2.559
  256    HA   GLN  55           HA       GLN  55 -10.324  -3.598  -4.016
  257    HB2  GLN  55           HB2      GLN  55  -7.854  -2.036  -3.270
  258    HB3  GLN  55           HB1      GLN  55  -7.972  -3.213  -4.567
  259    HG2  GLN  55           HG2      GLN  55  -9.623  -1.783  -5.688
  260    HG3  GLN  55           HG1      GLN  55  -9.495  -0.653  -4.383
  261   HE21  GLN  55          HE21      GLN  55  -8.853   0.966  -5.767
  262   HE22  GLN  55          HE22      GLN  55  -7.236   1.072  -6.378
  263    H    CYS  56           HN       CYS  56  -8.973  -2.884  -0.896
  264    HA   CYS  56           HA       CYS  56  -7.749  -5.426  -0.694
  265    HB2  CYS  56           HB2      CYS  56  -8.122  -3.295   1.420
  266    HB3  CYS  56           HB1      CYS  56  -7.248  -4.769   1.479
  267    H    THR  57           HN       THR  57 -10.645  -3.822   0.548
  268    HA   THR  57           HA       THR  57 -11.327  -5.905   2.293
  269    HB   THR  57           HB       THR  57 -13.527  -4.847   2.442
  270    HG1  THR  57           HG1      THR  57 -13.509  -4.119   0.102
  271   HG21  THR  57          HG21      THR  57 -11.188  -2.983   2.396
  272   HG22  THR  57          HG22      THR  57 -11.703  -3.975   3.758
  273   HG23  THR  57          HG23      THR  57 -12.713  -2.617   3.214
  274    H    ASP  58           HN       ASP  58 -11.557  -5.552  -0.971
  275    HA   ASP  58           HA       ASP  58 -13.650  -7.353  -1.665
  276    HB2  ASP  58           HB2      ASP  58 -12.574  -5.849  -3.321
  277    HB3  ASP  58           HB1      ASP  58 -11.095  -6.790  -3.201
  278    H    HIS  59           HN       HIS  59 -10.534  -7.838  -0.381
  279    HA   HIS  59           HA       HIS  59 -10.629 -10.724  -0.957
  280    HB2  HIS  59           HB2      HIS  59  -8.194  -9.113  -0.101
  281    HB3  HIS  59           HB1      HIS  59  -8.272 -10.807  -0.507
  282    HD1  HIS  59           HD1      HIS  59  -7.818 -11.426  -2.933
  283    HD2  HIS  59           HD2      HIS  59  -8.575  -7.387  -2.390
  284    HE1  HIS  59           HE1      HIS  59  -7.285 -10.286  -5.148
  285    HE2  HIS  59           HE2      HIS  59  -8.127  -7.993  -4.849
  286    H    GLY  60           HN       GLY  60 -11.756  -8.783   1.262
  287    HA2  GLY  60           HA2      GLY  60 -12.291  -9.107   3.468
  288    HA3  GLY  60           HA1      GLY  60 -11.373 -10.613   3.408
  289    H    ALA  61           HN       ALA  61  -9.776  -7.881   2.313
  290    HA   ALA  61           HA       ALA  61  -8.119  -7.799   4.751
  291    HB1  ALA  61           HB1      ALA  61  -7.362  -7.214   1.874
  292    HB2  ALA  61           HB2      ALA  61  -6.907  -8.649   2.777
  293    HB3  ALA  61           HB3      ALA  61  -6.282  -7.070   3.258
  294    H    ASP  62           HN       ASP  62  -6.911  -5.471   4.671
  295    HA   ASP  62           HA       ASP  62  -8.717  -3.461   3.613
  296    HB2  ASP  62           HB2      ASP  62  -9.071  -3.984   6.214
  297    HB3  ASP  62           HB1      ASP  62  -7.613  -3.002   6.378
  298    H    MET  63           HN       MET  63  -7.431  -1.255   3.937
  299    HA   MET  63           HA       MET  63  -5.002  -1.778   2.529
  300    HB2  MET  63           HB2      MET  63  -5.972   0.879   3.635
  301    HB3  MET  63           HB1      MET  63  -4.501   0.707   2.694
  302    HG2  MET  63           HG2      MET  63  -5.811  -0.109   0.802
  303    HG3  MET  63           HG1      MET  63  -7.258   0.101   1.795
  304    HE1  MET  63           HE1      MET  63  -4.599   3.672   0.467
  305    HE2  MET  63           HE2      MET  63  -4.306   2.114  -0.231
  306    HE3  MET  63           HE3      MET  63  -4.031   2.377   1.506
  307    H    ILE  64           HN       ILE  64  -2.962  -1.376   2.999
  308    HA   ILE  64           HA       ILE  64  -1.701  -2.425   5.136
  309    HB   ILE  64           HB       ILE  64  -0.428  -1.985   3.278
  310   HG12  ILE  64          HG12      ILE  64   0.259   0.052   5.298
  311   HG13  ILE  64          HG11      ILE  64   0.949  -1.639   5.198
  312   HG21  ILE  64          HG21      ILE  64  -1.345   0.869   3.346
  313   HG22  ILE  64          HG22      ILE  64  -1.707  -0.391   2.143
  314   HG23  ILE  64          HG23      ILE  64  -0.083   0.248   2.275
  315   HD11  ILE  64          HD11      ILE  64   2.016  -0.967   3.134
  316   HD12  ILE  64          HD12      ILE  64   2.611  -0.039   4.508
  317   HD13  ILE  64          HD13      ILE  64   1.474   0.694   3.354
  318    H    SER  65           HN       SER  65  -0.748  -1.701   7.098
  319    HA   SER  65           HA       SER  65  -1.086   0.998   7.929
  320    HB2  SER  65           HB2      SER  65  -2.543  -1.227   9.377
  321    HB3  SER  65           HB1      SER  65  -2.328   0.413  10.011
  322    HG   SER  65           HG       SER  65  -3.322   0.358   7.462
  323    H    ILE  66           HN       ILE  66   0.555   1.605   9.060
  324    HA   ILE  66           HA       ILE  66   2.615  -0.376   9.703
  325    HB   ILE  66           HB       ILE  66   2.822   2.605   9.246
  326   HG12  ILE  66          HG12      ILE  66   3.354   0.233   7.460
  327   HG13  ILE  66          HG11      ILE  66   2.016   1.337   7.277
  328   HG21  ILE  66          HG21      ILE  66   4.856   0.453   9.520
  329   HG22  ILE  66          HG22      ILE  66   4.564   1.778  10.642
  330   HG23  ILE  66          HG23      ILE  66   5.219   2.114   9.045
  331   HD11  ILE  66          HD11      ILE  66   3.763   1.703   5.644
  332   HD12  ILE  66          HD12      ILE  66   4.937   1.976   6.938
  333   HD13  ILE  66          HD13      ILE  66   3.599   3.103   6.700
  334    H    HIS  67           HN       HIS  67   3.023  -0.832  11.699
  335    HA   HIS  67           HA       HIS  67   2.669   1.285  13.695
  336    HB2  HIS  67           HB2      HIS  67   2.383  -1.705  14.071
  337    HB3  HIS  67           HB1      HIS  67   2.362  -0.533  15.379
  338    HD1  HIS  67           HD1      HIS  67   0.127   0.365  15.990
  339    HD2  HIS  67           HD2      HIS  67   0.134  -1.342  12.210
  340    HE1  HIS  67           HE1      HIS  67  -2.232   0.493  15.192
  341    HE2  HIS  67           HE2      HIS  67  -2.184  -1.086  13.245
  342    H    ASN  68           HN       ASN  68   4.973   0.027  11.858
  343    HA   ASN  68           HA       ASN  68   7.027   0.687  13.629
  344    HB2  ASN  68           HB2      ASN  68   8.112  -1.649  13.112
  345    HB3  ASN  68           HB1      ASN  68   7.404  -1.394  14.654
  346   HD21  ASN  68          HD21      ASN  68   5.282  -2.432  14.955
  347   HD22  ASN  68          HD22      ASN  68   4.805  -3.744  13.948
  348    H    GLU  69           HN       GLU  69   9.155   0.460  12.727
  349    HA   GLU  69           HA       GLU  69   9.096   1.118  10.024
  350    HB2  GLU  69           HB2      GLU  69  11.487   1.120  10.182
  351    HB3  GLU  69           HB1      GLU  69  10.767   2.078  11.495
  352    HG2  GLU  69           HG2      GLU  69  11.109   0.043  12.890
  353    HG3  GLU  69           HG1      GLU  69  12.052  -0.628  11.581
  354    H    GLU  70           HN       GLU  70   9.299  -1.912  11.823
  355    HA   GLU  70           HA       GLU  70  10.611  -3.314   9.934
  356    HB2  GLU  70           HB2      GLU  70   9.126  -3.640  12.304
  357    HB3  GLU  70           HB1      GLU  70   8.652  -4.875  11.176
  358    HG2  GLU  70           HG2      GLU  70  11.422  -4.234  12.169
  359    HG3  GLU  70           HG1      GLU  70  10.453  -5.650  12.580
  360    H    GLU  71           HN       GLU  71   7.145  -2.716  10.515
  361    HA   GLU  71           HA       GLU  71   6.012  -3.959   8.267
  362    HB2  GLU  71           HB2      GLU  71   4.958  -2.541  10.382
  363    HB3  GLU  71           HB1      GLU  71   5.040  -1.316   9.157
  364    HG2  GLU  71           HG2      GLU  71   3.349  -3.843   8.810
  365    HG3  GLU  71           HG1      GLU  71   2.839  -2.260   9.362
  366    H    ASN  72           HN       ASN  72   7.074  -0.574   8.758
  367    HA   ASN  72           HA       ASN  72   6.277   0.489   6.380
  368    HB2  ASN  72           HB2      ASN  72   7.067   1.848   8.298
  369    HB3  ASN  72           HB1      ASN  72   8.682   1.183   8.043
  370   HD21  ASN  72          HD21      ASN  72   9.926   1.921   6.352
  371   HD22  ASN  72          HD22      ASN  72   9.518   3.382   5.528
  372    H    ALA  73           HN       ALA  73   9.428  -0.724   7.294
  373    HA   ALA  73           HA       ALA  73  10.514  -0.318   4.692
  374    HB1  ALA  73           HB1      ALA  73  12.569  -1.170   5.680
  375    HB2  ALA  73           HB2      ALA  73  11.635  -1.567   7.177
  376    HB3  ALA  73           HB3      ALA  73  11.789   0.094   6.654
  377    H    PHE  74           HN       PHE  74   8.925  -2.935   6.281
  378    HA   PHE  74           HA       PHE  74   9.768  -5.153   4.754
  379    HB2  PHE  74           HB2      PHE  74   8.191  -5.637   6.717
  380    HB3  PHE  74           HB1      PHE  74   7.235  -4.357   6.031
  381    HD1  PHE  74           HD2      PHE  74   8.548  -7.652   4.897
  382    HD2  PHE  74           HD1      PHE  74   5.416  -4.930   5.487
  383    HE1  PHE  74           HE2      PHE  74   6.944  -9.292   3.964
  384    HE2  PHE  74           HE1      PHE  74   3.895  -6.333   4.675
  385    HZ   PHE  74           HZ       PHE  74   4.550  -8.665   3.822
  386    H    ILE  75           HN       ILE  75   7.234  -2.867   4.490
  387    HA   ILE  75           HA       ILE  75   5.670  -3.843   2.265
  388    HB   ILE  75           HB       ILE  75   6.018  -0.998   3.231
  389   HG12  ILE  75          HG12      ILE  75   5.571  -2.484   5.079
  390   HG13  ILE  75          HG11      ILE  75   4.274  -1.353   4.815
  391   HG21  ILE  75          HG21      ILE  75   4.753  -1.190   1.188
  392   HG22  ILE  75          HG22      ILE  75   3.803  -0.752   2.654
  393   HG23  ILE  75          HG23      ILE  75   3.726  -2.397   2.038
  394   HD11  ILE  75          HD11      ILE  75   3.508  -3.470   5.400
  395   HD12  ILE  75          HD12      ILE  75   4.313  -4.222   3.990
  396   HD13  ILE  75          HD13      ILE  75   2.986  -3.074   3.765
  397    H    LEU  76           HN       LEU  76   8.034  -1.616   2.801
  398    HA   LEU  76           HA       LEU  76   8.276  -0.305   0.478
  399    HB2  LEU  76           HB2      LEU  76   9.282  -0.340   2.847
  400    HB3  LEU  76           HB1      LEU  76  10.673  -0.984   2.055
  401    HG   LEU  76           HG       LEU  76  10.021   1.077   0.430
  402   HD11  LEU  76          HD11      LEU  76   7.967   1.278   1.583
  403   HD12  LEU  76          HD12      LEU  76   8.877   2.781   1.517
  404   HD13  LEU  76          HD13      LEU  76   8.808   1.833   3.016
  405   HD21  LEU  76          HD21      LEU  76  11.282   1.637   3.099
  406   HD22  LEU  76          HD22      LEU  76  11.305   2.598   1.593
  407   HD23  LEU  76          HD23      LEU  76  12.141   1.040   1.643
  408    H    ASP  77           HN       ASP  77  10.100  -3.114   1.493
  409    HA   ASP  77           HA       ASP  77  11.313  -3.418  -1.214
  410    HB2  ASP  77           HB2      ASP  77  12.562  -3.823   0.858
  411    HB3  ASP  77           HB1      ASP  77  11.479  -5.141   1.223
  412    H    THR  78           HN       THR  78   8.801  -4.712   0.633
  413    HA   THR  78           HA       THR  78   8.792  -7.260  -0.592
  414    HB   THR  78           HB       THR  78   6.965  -5.779   1.224
  415    HG1  THR  78           HG1      THR  78   8.729  -6.484   2.190
  416   HG21  THR  78          HG21      THR  78   5.553  -7.234  -0.108
  417   HG22  THR  78          HG22      THR  78   5.677  -7.842   1.546
  418   HG23  THR  78          HG23      THR  78   6.609  -8.601   0.243
  419    H    LEU  79           HN       LEU  79   7.314  -4.295  -1.031
  420    HA   LEU  79           HA       LEU  79   5.234  -4.815  -2.582
  421    HB2  LEU  79           HB2      LEU  79   6.458  -2.786  -1.572
  422    HB3  LEU  79           HB1      LEU  79   6.983  -2.527  -3.192
  423    HG   LEU  79           HG       LEU  79   5.040  -1.299  -3.078
  424   HD11  LEU  79          HD11      LEU  79   3.226  -2.409  -4.127
  425   HD12  LEU  79          HD12      LEU  79   3.772  -3.945  -3.486
  426   HD13  LEU  79          HD13      LEU  79   4.724  -3.153  -4.743
  427   HD21  LEU  79          HD21      LEU  79   4.590  -1.592  -0.798
  428   HD22  LEU  79          HD22      LEU  79   4.184  -3.292  -1.001
  429   HD23  LEU  79          HD23      LEU  79   3.090  -2.035  -1.611
  430    H    LYS  80           HN       LYS  80   8.403  -3.826  -3.550
  431    HA   LYS  80           HA       LYS  80   8.252  -4.474  -6.287
  432    HB2  LYS  80           HB2      LYS  80  10.594  -4.018  -4.541
  433    HB3  LYS  80           HB1      LYS  80  10.674  -3.992  -6.330
  434    HG2  LYS  80           HG2      LYS  80  10.217  -1.830  -6.117
  435    HG3  LYS  80           HG1      LYS  80   8.611  -2.356  -5.650
  436    HD2  LYS  80           HD2      LYS  80   9.304  -0.983  -3.968
  437    HD3  LYS  80           HD1      LYS  80   9.438  -2.596  -3.323
  438    HE2  LYS  80           HE2      LYS  80  11.746  -1.205  -4.560
  439    HE3  LYS  80           HE1      LYS  80  11.446  -1.066  -2.813
  440    HZ1  LYS  80           HZ1      LYS  80  12.294  -3.408  -4.460
  441    HZ2  LYS  80           HZ2      LYS  80  11.817  -3.616  -2.874
  442    HZ3  LYS  80           HZ3      LYS  80  13.135  -2.639  -3.254
  443    H    LYS  81           HN       LYS  81   9.857  -6.213  -3.518
  444    HA   LYS  81           HA       LYS  81  11.106  -8.156  -4.853
  445    HB2  LYS  81           HB2      LYS  81  11.601  -8.825  -2.786
  446    HB3  LYS  81           HB1      LYS  81  10.919  -7.311  -2.365
  447    HG2  LYS  81           HG2      LYS  81   8.830  -8.293  -2.133
  448    HG3  LYS  81           HG1      LYS  81   9.483  -9.888  -2.354
  449    HD2  LYS  81           HD2      LYS  81  10.549  -8.059  -0.177
  450    HD3  LYS  81           HD1      LYS  81   9.361  -9.353   0.134
  451    HE2  LYS  81           HE2      LYS  81  10.946 -10.812  -0.973
  452    HE3  LYS  81           HE1      LYS  81  12.155  -9.541  -0.906
  453    HZ1  LYS  81           HZ1      LYS  81  12.446 -10.919   1.071
  454    HZ2  LYS  81           HZ2      LYS  81  10.827 -10.731   1.497
  455    HZ3  LYS  81           HZ3      LYS  81  11.857  -9.417   1.527
  456    H    GLN  82           HN       GLN  82   7.694  -8.221  -3.861
  457    HA   GLN  82           HA       GLN  82   7.402 -10.907  -5.072
  458    HB2  GLN  82           HB2      GLN  82   6.579 -10.432  -2.826
  459    HB3  GLN  82           HB1      GLN  82   5.498  -9.248  -3.497
  460    HG2  GLN  82           HG2      GLN  82   4.139 -11.164  -3.266
  461    HG3  GLN  82           HG1      GLN  82   4.521 -11.042  -4.961
  462   HE21  GLN  82          HE21      GLN  82   6.763 -12.325  -2.536
  463   HE22  GLN  82          HE22      GLN  82   6.710 -13.926  -3.129
  464    H    TRP  83           HN       TRP  83   6.140  -7.624  -5.229
  465    HA   TRP  83           HA       TRP  83   4.433  -8.444  -7.442
  466    HB2  TRP  83           HB2      TRP  83   4.076  -6.089  -5.522
  467    HB3  TRP  83           HB1      TRP  83   2.938  -6.652  -6.745
  468    HD1  TRP  83           HD1      TRP  83   2.117  -9.438  -6.172
  469    HE1  TRP  83           HE1      TRP  83   1.396 -10.298  -3.802
  470    HE3  TRP  83           HE3      TRP  83   4.172  -5.905  -3.385
  471    HZ2  TRP  83           HZ2      TRP  83   1.645  -9.531  -1.175
  472    HZ3  TRP  83           HZ3      TRP  83   3.933  -5.935  -0.883
  473    HH2  TRP  83           HH2      TRP  83   2.686  -7.714   0.200
  474    H    LYS  84           HN       LYS  84   3.882  -5.792  -8.290
  475    HA   LYS  84           HA       LYS  84   6.125  -5.298  -9.987
  476    HB2  LYS  84           HB2      LYS  84   3.757  -3.520  -9.417
  477    HB3  LYS  84           HB1      LYS  84   4.867  -3.376 -10.768
  478    HG2  LYS  84           HG2      LYS  84   4.059  -5.393 -11.743
  479    HG3  LYS  84           HG1      LYS  84   3.096  -5.771 -10.315
  480    HD2  LYS  84           HD2      LYS  84   1.618  -4.881 -12.002
  481    HD3  LYS  84           HD1      LYS  84   1.809  -3.686 -10.717
  482    HE2  LYS  84           HE2      LYS  84   3.489  -2.509 -12.098
  483    HE3  LYS  84           HE1      LYS  84   3.189  -3.674 -13.392
  484    HZ1  LYS  84           HZ1      LYS  84   0.882  -2.940 -13.436
  485    HZ2  LYS  84           HZ2      LYS  84   1.910  -1.649 -13.735
  486    HZ3  LYS  84           HZ3      LYS  84   1.200  -1.835 -12.214
  487    H    GLY  85           HN       GLY  85   4.661  -3.191  -7.588
  488    HA2  GLY  85           HA2      GLY  85   5.397  -2.051  -6.257
  489    HA3  GLY  85           HA1      GLY  85   6.930  -2.188  -6.121
  490    HA   PRO  86           HA       PRO  86   5.626   1.388  -8.794
  491    HB2  PRO  86           HB2      PRO  86   3.867   2.788  -7.346
  492    HB3  PRO  86           HB1      PRO  86   3.504   1.213  -8.158
  493    HG2  PRO  86           HG2      PRO  86   3.929   1.635  -5.258
  494    HG3  PRO  86           HG1      PRO  86   2.762   0.622  -6.155
  495    HD2  PRO  86           HD2      PRO  86   5.265  -0.160  -5.138
  496    HD3  PRO  86           HD1      PRO  86   4.060  -0.989  -6.136
  497    H    ASP  87           HN       ASP  87   5.880   3.834  -8.147
  498    HA   ASP  87           HA       ASP  87   8.415   4.159  -6.872
  499    HB2  ASP  87           HB2      ASP  87   6.319   6.212  -7.556
  500    HB3  ASP  87           HB1      ASP  87   7.938   6.609  -7.011
  501    H    ASP  88           HN       ASP  88   5.130   4.735  -5.896
  502    HA   ASP  88           HA       ASP  88   5.810   4.313  -3.139
  503    HB2  ASP  88           HB2      ASP  88   4.474   6.216  -2.356
  504    HB3  ASP  88           HB1      ASP  88   5.970   6.697  -3.106
  505    H    ILE  89           HN       ILE  89   4.219   3.599  -1.986
  506    HA   ILE  89           HA       ILE  89   1.886   2.617  -3.482
  507    HB   ILE  89           HB       ILE  89   1.615   0.929  -1.816
  508   HG12  ILE  89          HG12      ILE  89   2.903   2.597  -0.319
  509   HG13  ILE  89          HG11      ILE  89   2.632   1.014   0.274
  510   HG21  ILE  89          HG21      ILE  89   3.645  -0.304  -2.274
  511   HG22  ILE  89          HG22      ILE  89   4.397   1.184  -2.860
  512   HG23  ILE  89          HG23      ILE  89   3.012   0.478  -3.722
  513   HD11  ILE  89          HD11      ILE  89   4.963   1.931   0.607
  514   HD12  ILE  89          HD12      ILE  89   5.043   2.250  -1.104
  515   HD13  ILE  89          HD13      ILE  89   5.055   0.582  -0.534
  516    H    LEU  90           HN       LEU  90  -0.235   2.668  -2.403
  517    HA   LEU  90           HA       LEU  90  -0.320   4.929  -0.826
  518    HB2  LEU  90           HB2      LEU  90  -2.249   3.463  -2.400
  519    HB3  LEU  90           HB1      LEU  90  -2.814   3.432  -0.859
  520    HG   LEU  90           HG       LEU  90  -2.049   5.968  -2.199
  521   HD11  LEU  90          HD11      LEU  90  -4.424   6.325  -2.392
  522   HD12  LEU  90          HD12      LEU  90  -4.724   4.674  -1.795
  523   HD13  LEU  90          HD13      LEU  90  -3.838   4.958  -3.314
  524   HD21  LEU  90          HD21      LEU  90  -3.629   5.461   0.275
  525   HD22  LEU  90          HD22      LEU  90  -3.305   7.047  -0.481
  526   HD23  LEU  90          HD23      LEU  90  -1.980   6.086   0.191
  527    H    LEU  91           HN       LEU  91  -0.588   5.158   1.199
  528    HA   LEU  91           HA       LEU  91  -0.115   2.866   2.895
  529    HB2  LEU  91           HB2      LEU  91  -0.306   5.869   3.420
  530    HB3  LEU  91           HB1      LEU  91  -0.966   4.784   4.335
  531    HG   LEU  91           HG       LEU  91   0.672   3.993   5.489
  532   HD11  LEU  91          HD11      LEU  91   2.322   4.020   3.009
  533   HD12  LEU  91          HD12      LEU  91   1.641   2.624   3.872
  534   HD13  LEU  91          HD13      LEU  91   2.915   3.584   4.606
  535   HD21  LEU  91          HD21      LEU  91   2.122   6.302   4.242
  536   HD22  LEU  91          HD22      LEU  91   2.469   5.575   5.808
  537   HD23  LEU  91          HD23      LEU  91   0.959   6.426   5.546
  538    H    GLY  92           HN       GLY  92  -1.551   2.663   4.559
  539    HA2  GLY  92           HA2      GLY  92  -4.193   2.863   3.458
  540    HA3  GLY  92           HA1      GLY  92  -3.888   1.686   4.678
  541    H    MET  93           HN       MET  93  -3.590   5.119   4.176
  542    HA   MET  93           HA       MET  93  -4.308   5.510   6.860
  543    HB2  MET  93           HB2      MET  93  -2.306   5.856   7.127
  544    HB3  MET  93           HB1      MET  93  -1.887   6.359   5.444
  545    HG2  MET  93           HG2      MET  93  -3.189   8.409   6.170
  546    HG3  MET  93           HG1      MET  93  -2.933   7.818   7.824
  547    HE1  MET  93           HE1      MET  93  -0.112   6.387   7.289
  548    HE2  MET  93           HE2      MET  93  -0.328   7.342   8.745
  549    HE3  MET  93           HE3      MET  93   1.068   7.622   7.707
  550    H    PHE  94           HN       PHE  94  -5.738   7.120   7.072
  551    HA   PHE  94           HA       PHE  94  -6.271   8.563   4.618
  552    HB2  PHE  94           HB2      PHE  94  -8.665   8.368   4.985
  553    HB3  PHE  94           HB1      PHE  94  -7.899   6.854   4.979
  554    HD1  PHE  94           HD1      PHE  94  -7.654   5.728   6.860
  555    HD2  PHE  94           HD2      PHE  94  -9.892   9.177   6.935
  556    HE1  PHE  94           HE1      PHE  94  -8.759   4.854   8.893
  557    HE2  PHE  94           HE2      PHE  94 -11.045   8.417   8.993
  558    HZ   PHE  94           HZ       PHE  94 -10.402   6.151   9.937
  559    H    TYR  95           HN       TYR  95  -7.279  10.482   4.932
  560    HA   TYR  95           HA       TYR  95  -6.298  11.637   7.397
  561    HB2  TYR  95           HB2      TYR  95  -5.160  12.638   5.485
  562    HB3  TYR  95           HB1      TYR  95  -6.689  13.087   4.754
  563    HD1  TYR  95           HD1      TYR  95  -5.262  13.388   8.119
  564    HD2  TYR  95           HD2      TYR  95  -7.049  15.341   4.847
  565    HE1  TYR  95           HE1      TYR  95  -5.241  15.465   9.402
  566    HE2  TYR  95           HE2      TYR  95  -7.015  17.471   6.079
  567    HH   TYR  95           HH       TYR  95  -5.223  17.866   8.906
  568    H    ASP  96           HN       ASP  96  -7.722  11.799   8.752
  569    HA   ASP  96           HA       ASP  96 -10.471  12.035   8.164
  570    HB2  ASP  96           HB2      ASP  96  -9.513  10.897  10.072
  571    HB3  ASP  96           HB1      ASP  96  -8.994  12.478  10.682
  572    H    THR  97           HN       THR  97 -11.275  14.106   7.756
  573    HA   THR  97           HA       THR  97  -9.521  16.317   8.261
  574    HB   THR  97           HB       THR  97 -11.213  17.559   7.003
  575    HG1  THR  97           HG1      THR  97 -12.964  16.437   6.209
  576   HG21  THR  97          HG21      THR  97 -10.062  15.060   5.829
  577   HG22  THR  97          HG22      THR  97  -9.213  16.573   5.998
  578   HG23  THR  97          HG23      THR  97 -10.552  16.437   4.838
  579    H    ASP  98           HN       ASP  98 -12.143  14.870   9.700
  580    HA   ASP  98           HA       ASP  98 -13.368  17.144  10.958
  581    HB2  ASP  98           HB2      ASP  98 -14.447  14.937  10.575
  582    HB3  ASP  98           HB1      ASP  98 -13.433  14.268  11.834
  583    H    ASP  99           HN       ASP  99 -11.212  14.611  12.033
  584    HA   ASP  99           HA       ASP  99 -10.705  15.994  14.585
  585    HB2  ASP  99           HB2      ASP  99  -9.712  13.381  13.534
  586    HB3  ASP  99           HB1      ASP  99  -9.281  14.021  15.110
  587    H    ALA 100           HN       ALA 100  -9.481  15.397  11.519
  588    HA   ALA 100           HA       ALA 100  -7.745  15.847  10.405
  589    HB1  ALA 100           HB1      ALA 100  -7.093  17.990  12.444
  590    HB2  ALA 100           HB2      ALA 100  -8.172  18.183  11.052
  591    HB3  ALA 100           HB3      ALA 100  -6.456  17.881  10.800
  592    H    SER 101           HN       SER 101  -7.260  13.722  10.988
  593    HA   SER 101           HA       SER 101  -4.492  13.718  11.759
  594    HB2  SER 101           HB2      SER 101  -5.237  13.394  13.768
  595    HB3  SER 101           HB1      SER 101  -6.616  12.316  13.399
  596    HG   SER 101           HG       SER 101  -3.783  11.807  13.306
  597    H    PHE 102           HN       PHE 102  -3.476  11.876  11.197
  598    HA   PHE 102           HA       PHE 102  -4.778  10.671   9.035
  599    HB2  PHE 102           HB2      PHE 102  -1.906  10.437   9.920
  600    HB3  PHE 102           HB1      PHE 102  -2.594   9.577   8.562
  601    HD1  PHE 102           HD1      PHE 102  -3.397  10.718   6.668
  602    HD2  PHE 102           HD2      PHE 102  -1.429  12.695   9.848
  603    HE1  PHE 102           HE1      PHE 102  -3.023  12.713   5.224
  604    HE2  PHE 102           HE2      PHE 102  -1.048  14.664   8.453
  605    HZ   PHE 102           HZ       PHE 102  -1.832  14.690   6.160
  606    H    LYS 103           HN       LYS 103  -4.962   8.351   8.857
  607    HA   LYS 103           HA       LYS 103  -5.148   7.114  11.476
  608    HB2  LYS 103           HB2      LYS 103  -7.505   7.507   9.649
  609    HB3  LYS 103           HB1      LYS 103  -7.526   6.725  11.218
  610    HG2  LYS 103           HG2      LYS 103  -6.611   8.946  12.046
  611    HG3  LYS 103           HG1      LYS 103  -7.103   9.590  10.540
  612    HD2  LYS 103           HD2      LYS 103  -9.366   9.140  10.792
  613    HD3  LYS 103           HD1      LYS 103  -9.180   8.114  12.152
  614    HE2  LYS 103           HE2      LYS 103  -8.303  10.280  13.408
  615    HE3  LYS 103           HE1      LYS 103  -8.858  11.063  11.998
  616    HZ1  LYS 103           HZ1      LYS 103 -11.068  10.357  12.246
  617    HZ2  LYS 103           HZ2      LYS 103 -10.644  11.016  13.723
  618    HZ3  LYS 103           HZ3      LYS 103 -10.717   9.347  13.524
  619    H    TRP 104           HN       TRP 104  -5.298   4.908  11.294
  620    HA   TRP 104           HA       TRP 104  -4.613   3.825   8.707
  621    HB2  TRP 104           HB2      TRP 104  -4.780   2.627  11.492
  622    HB3  TRP 104           HB1      TRP 104  -4.386   1.733  10.012
  623    HD1  TRP 104           HD1      TRP 104  -2.650   2.981  12.848
  624    HE1  TRP 104           HE1      TRP 104  -0.205   3.574  12.306
  625    HE3  TRP 104           HE3      TRP 104  -2.916   3.237   7.725
  626    HZ2  TRP 104           HZ2      TRP 104   1.366   4.140  10.076
  627    HZ3  TRP 104           HZ3      TRP 104  -0.947   3.832   6.501
  628    HH2  TRP 104           HH2      TRP 104   1.194   4.269   7.638
  629    H    PHE 105           HN       PHE 105  -5.914   2.644   7.509
  630    HA   PHE 105           HA       PHE 105  -8.655   2.554   8.104
  631    HB2  PHE 105           HB2      PHE 105  -7.017   1.240   5.957
  632    HB3  PHE 105           HB1      PHE 105  -8.667   0.704   6.233
  633    HD1  PHE 105           HD2      PHE 105 -10.331   2.712   6.596
  634    HD2  PHE 105           HD1      PHE 105  -6.744   2.924   4.255
  635    HE1  PHE 105           HE2      PHE 105 -11.199   4.597   5.321
  636    HE2  PHE 105           HE1      PHE 105  -7.559   4.681   3.108
  637    HZ   PHE 105           HZ       PHE 105  -9.831   5.599   3.582
  638    H    ASP 106           HN       ASP 106  -6.065   0.737   9.043
  639    HA   ASP 106           HA       ASP 106  -7.379  -1.714   9.779
  640    HB2  ASP 106           HB2      ASP 106  -4.963  -1.634   9.528
  641    HB3  ASP 106           HB1      ASP 106  -4.841  -0.406  10.770
  642    H    ASN 107           HN       ASN 107  -7.549   1.438  10.940
  643    HA   ASN 107           HA       ASN 107  -8.637   2.483  12.547
  644    HB2  ASN 107           HB2      ASN 107  -9.861  -0.222  13.066
  645    HB3  ASN 107           HB1      ASN 107 -10.268   1.184  14.038
  646   HD21  ASN 107          HD21      ASN 107 -10.649  -0.387  10.977
  647   HD22  ASN 107          HD22      ASN 107 -11.847   0.701  10.370
  648    H    SER 108           HN       SER 108  -6.161   0.682  13.117
  649    HA   SER 108           HA       SER 108  -6.260   0.939  15.983
  650    HB2  SER 108           HB2      SER 108  -4.049  -0.134  14.231
  651    HB3  SER 108           HB1      SER 108  -4.189  -0.317  15.982
  652    HG   SER 108           HG       SER 108  -5.230  -1.782  14.013
  653    H    ASN 109           HN       ASN 109  -4.442   2.025  17.070
  654    HA   ASN 109           HA       ASN 109  -4.299   4.726  16.315
  655    HB2  ASN 109           HB2      ASN 109  -3.947   3.906  18.714
  656    HB3  ASN 109           HB1      ASN 109  -2.404   3.287  18.169
  657   HD21  ASN 109          HD21      ASN 109  -1.467   4.497  19.679
  658   HD22  ASN 109          HD22      ASN 109  -1.342   6.205  19.499
  659    H    MET 110           HN       MET 110  -2.743   5.901  15.291
  660    HA   MET 110           HA       MET 110  -0.693   4.434  13.910
  661    HB2  MET 110           HB2      MET 110  -1.826   6.310  12.890
  662    HB3  MET 110           HB1      MET 110  -1.184   7.399  14.108
  663    HG2  MET 110           HG2      MET 110   1.066   7.027  13.290
  664    HG3  MET 110           HG1      MET 110   0.470   5.828  12.139
  665    HE1  MET 110           HE1      MET 110  -2.362   7.379  11.413
  666    HE2  MET 110           HE2      MET 110  -1.379   6.377  10.357
  667    HE3  MET 110           HE3      MET 110  -1.832   8.010   9.864
  668    H    THR 111           HN       THR 111   0.537   3.550  15.465
  669    HA   THR 111           HA       THR 111   1.595   5.127  17.576
  670    HB   THR 111           HB       THR 111   2.606   2.858  18.183
  671    HG1  THR 111           HG1      THR 111   2.125   1.182  16.987
  672   HG21  THR 111          HG21      THR 111   0.540   3.698  19.227
  673   HG22  THR 111          HG22      THR 111   0.405   1.966  18.937
  674   HG23  THR 111          HG23      THR 111  -0.418   3.103  17.882
  675    H    PHE 112           HN       PHE 112   2.552   4.290  14.398
  676    HA   PHE 112           HA       PHE 112   5.326   5.112  14.933
  677    HB2  PHE 112           HB2      PHE 112   4.981   2.494  14.503
  678    HB3  PHE 112           HB1      PHE 112   4.660   3.052  12.915
  679    HD1  PHE 112           HD2      PHE 112   7.292   3.533  15.488
  680    HD2  PHE 112           HD1      PHE 112   6.210   3.320  11.444
  681    HE1  PHE 112           HE2      PHE 112   9.664   3.782  14.890
  682    HE2  PHE 112           HE1      PHE 112   8.618   3.552  10.767
  683    HZ   PHE 112           HZ       PHE 112  10.332   3.803  12.527
  684    H    ASP 113           HN       ASP 113   6.335   6.049  13.116
  685    HA   ASP 113           HA       ASP 113   4.850   6.528  10.719
  686    HB2  ASP 113           HB2      ASP 113   4.659   8.891  10.945
  687    HB3  ASP 113           HB1      ASP 113   3.841   8.165  12.323
  688    H    LYS 114           HN       LYS 114   5.912   7.231   9.128
  689    HA   LYS 114           HA       LYS 114   8.758   7.825   9.514
  690    HB2  LYS 114           HB2      LYS 114   7.348   6.229   7.395
  691    HB3  LYS 114           HB1      LYS 114   9.001   6.784   7.263
  692    HG2  LYS 114           HG2      LYS 114   8.109   5.094   9.552
  693    HG3  LYS 114           HG1      LYS 114   8.513   4.386   7.993
  694    HD2  LYS 114           HD2      LYS 114  10.366   6.073   9.688
  695    HD3  LYS 114           HD1      LYS 114  10.414   4.315   9.574
  696    HE2  LYS 114           HE2      LYS 114  10.750   4.734   6.985
  697    HE3  LYS 114           HE1      LYS 114  11.040   6.329   7.423
  698    HZ1  LYS 114           HZ1      LYS 114  13.097   5.250   7.295
  699    HZ2  LYS 114           HZ2      LYS 114  12.663   4.067   8.402
  700    HZ3  LYS 114           HZ3      LYS 114  12.862   5.657   8.907
  701    H    TRP 115           HN       TRP 115   7.593  10.004   9.577
  702    HA   TRP 115           HA       TRP 115   6.487  10.859   7.049
  703    HB2  TRP 115           HB2      TRP 115   6.742  12.311   9.688
  704    HB3  TRP 115           HB1      TRP 115   6.088  13.060   8.251
  705    HD1  TRP 115           HD1      TRP 115   5.136  11.238  11.093
  706    HE1  TRP 115           HE1      TRP 115   2.630  10.432  10.913
  707    HE3  TRP 115           HE3      TRP 115   4.481  12.131   6.242
  708    HZ2  TRP 115           HZ2      TRP 115   0.681  10.265   8.845
  709    HZ3  TRP 115           HZ3      TRP 115   2.368  11.675   5.196
  710    HH2  TRP 115           HH2      TRP 115   0.480  10.751   6.437
  711    H    THR 116           HN       THR 116   7.303  12.282   5.667
  712    HA   THR 116           HA       THR 116  10.041  13.118   6.131
  713    HB   THR 116           HB       THR 116   9.736  11.789   4.103
  714    HG1  THR 116           HG1      THR 116  11.260  13.024   3.646
  715   HG21  THR 116          HG21      THR 116   8.389  12.588   2.194
  716   HG22  THR 116          HG22      THR 116   7.786  13.914   3.191
  717   HG23  THR 116          HG23      THR 116   7.388  12.246   3.602
  718    H    ASP 117           HN       ASP 117  10.240  15.446   4.797
  719    HA   ASP 117           HA       ASP 117   8.173  17.136   5.989
  720    HB2  ASP 117           HB2      ASP 117  10.507  17.852   6.275
  721    HB3  ASP 117           HB1      ASP 117  10.714  17.908   4.527
  722    H    GLN 118           HN       GLN 118   6.285  17.759   4.755
  723    HA   GLN 118           HA       GLN 118   6.659  17.872   1.966
  724    HB2  GLN 118           HB2      GLN 118   5.334  15.874   3.010
  725    HB3  GLN 118           HB1      GLN 118   4.362  17.242   3.618
  726    HG2  GLN 118           HG2      GLN 118   3.828  17.945   1.912
  727    HG3  GLN 118           HG1      GLN 118   4.762  16.987   0.732
  728   HE21  GLN 118          HE21      GLN 118   1.809  17.249   2.410
  729   HE22  GLN 118          HE22      GLN 118   1.156  15.679   2.041
  730    H    ASP 119           HN       ASP 119   4.982  19.285   1.213
  731    HA   ASP 119           HA       ASP 119   4.578  21.738   2.611
  732    HB2  ASP 119           HB2      ASP 119   5.124  21.907   0.491
  733    HB3  ASP 119           HB1      ASP 119   4.101  20.472   0.051
  734    H    ASP 120           HN       ASP 120   2.471  22.623   2.411
  735    HA   ASP 120           HA       ASP 120   0.292  22.904   3.137
  736    HB2  ASP 120           HB2      ASP 120  -0.057  19.988   2.417
  737    HB3  ASP 120           HB1      ASP 120  -1.366  20.997   3.015
  738    H    ASP 121           HN       ASP 121  -0.128  23.350   5.059
  739    HA   ASP 121           HA       ASP 121   0.672  21.445   7.158
  740    HB2  ASP 121           HB2      ASP 121   1.655  23.757   7.158
  741    HB3  ASP 121           HB1      ASP 121   0.041  24.376   7.487
  742    H    GLU 122           HN       GLU 122  -1.958  23.560   6.110
  743    HA   GLU 122           HA       GLU 122  -3.755  22.771   8.171
  744    HB2  GLU 122           HB2      GLU 122  -4.138  24.285   5.584
  745    HB3  GLU 122           HB1      GLU 122  -5.381  24.024   6.796
  746    HG2  GLU 122           HG2      GLU 122  -2.799  25.285   7.370
  747    HG3  GLU 122           HG1      GLU 122  -4.159  26.239   6.772
  748    H    ASP 123           HN       ASP 123  -4.521  22.783   4.802
  749    HA   ASP 123           HA       ASP 123  -5.524  20.056   5.081
  750    HB2  ASP 123           HB2      ASP 123  -6.989  20.515   3.219
  751    HB3  ASP 123           HB1      ASP 123  -7.336  21.605   4.571
  752    H    LEU 124           HN       LEU 124  -4.599  18.554   4.120
  753    HA   LEU 124           HA       LEU 124  -3.102  19.080   1.701
  754    HB2  LEU 124           HB2      LEU 124  -1.907  16.858   2.524
  755    HB3  LEU 124           HB1      LEU 124  -1.339  18.433   3.033
  756    HG   LEU 124           HG       LEU 124  -1.320  16.700   4.760
  757   HD11  LEU 124          HD11      LEU 124  -3.102  19.012   5.422
  758   HD12  LEU 124          HD12      LEU 124  -1.344  18.959   5.510
  759   HD13  LEU 124          HD13      LEU 124  -2.309  17.968   6.597
  760   HD21  LEU 124          HD21      LEU 124  -3.514  16.084   5.855
  761   HD22  LEU 124          HD22      LEU 124  -3.169  15.367   4.288
  762   HD23  LEU 124          HD23      LEU 124  -4.288  16.721   4.389
  763    H    VAL 125           HN       VAL 125  -5.699  18.654   1.664
  764    HA   VAL 125           HA       VAL 125  -6.396  15.873   1.532
  765    HB   VAL 125           HB       VAL 125  -8.049  18.364   0.984
  766   HG11  VAL 125          HG11      VAL 125  -9.064  15.587   1.579
  767   HG12  VAL 125          HG12      VAL 125  -9.010  16.317  -0.018
  768   HG13  VAL 125          HG13      VAL 125 -10.042  17.017   1.233
  769   HG21  VAL 125          HG21      VAL 125  -7.822  16.690   3.464
  770   HG22  VAL 125          HG22      VAL 125  -8.949  18.026   3.243
  771   HG23  VAL 125          HG23      VAL 125  -7.206  18.328   3.251
  772    H    ASP 126           HN       ASP 126  -5.049  18.022  -0.524
  773    HA   ASP 126           HA       ASP 126  -6.364  17.147  -2.961
  774    HB2  ASP 126           HB2      ASP 126  -5.622  19.467  -2.822
  775    HB3  ASP 126           HB1      ASP 126  -3.964  18.948  -2.585
  776    H    THR 127           HN       THR 127  -3.953  16.027  -1.035
  777    HA   THR 127           HA       THR 127  -2.932  14.322  -3.167
  778    HB   THR 127           HB       THR 127  -1.260  16.044  -2.600
  779    HG1  THR 127           HG1      THR 127   0.264  14.250  -1.534
  780   HG21  THR 127          HG21      THR 127  -1.271  14.861   0.166
  781   HG22  THR 127          HG22      THR 127  -2.089  16.334  -0.247
  782   HG23  THR 127          HG23      THR 127  -0.309  16.239  -0.375
  783    H    CYS 128           HN       CYS 128  -1.647  12.453  -1.800
  784    HA   CYS 128           HA       CYS 128  -3.512  11.704   0.325
  785    HB2  CYS 128           HB2      CYS 128  -2.457   9.445  -1.270
  786    HB3  CYS 128           HB1      CYS 128  -3.969   9.698  -0.491
  787    H    ALA 129           HN       ALA 129  -2.330   9.221   1.057
  788    HA   ALA 129           HA       ALA 129   0.305  10.170   1.908
  789    HB1  ALA 129           HB1      ALA 129  -0.003   8.804   3.871
  790    HB2  ALA 129           HB2      ALA 129  -1.437   8.071   3.218
  791    HB3  ALA 129           HB3      ALA 129  -1.465   9.781   3.697
  792    H    PHE 130           HN       PHE 130   1.893   9.122   0.923
  793    HA   PHE 130           HA       PHE 130   1.340   6.342   0.232
  794    HB2  PHE 130           HB2      PHE 130   3.185   7.958  -1.492
  795    HB3  PHE 130           HB1      PHE 130   2.379   6.478  -1.781
  796    HD1  PHE 130           HD1      PHE 130  -0.295   6.822  -1.387
  797    HD2  PHE 130           HD2      PHE 130   2.389   9.582  -3.058
  798    HE1  PHE 130           HE1      PHE 130  -2.152   7.825  -2.726
  799    HE2  PHE 130           HE2      PHE 130   0.560  10.596  -4.371
  800    HZ   PHE 130           HZ       PHE 130  -1.753   9.636  -4.153
  801    H    LEU 131           HN       LEU 131   2.728   5.134   1.097
  802    HA   LEU 131           HA       LEU 131   5.203   6.068   2.154
  803    HB2  LEU 131           HB2      LEU 131   4.226   4.285   3.176
  804    HB3  LEU 131           HB1      LEU 131   3.975   3.409   1.672
  805    HG   LEU 131           HG       LEU 131   6.400   3.159   1.561
  806   HD11  LEU 131          HD11      LEU 131   7.166   4.953   2.861
  807   HD12  LEU 131          HD12      LEU 131   7.635   3.433   3.660
  808   HD13  LEU 131          HD13      LEU 131   6.274   4.362   4.261
  809   HD21  LEU 131          HD21      LEU 131   5.140   2.120   4.044
  810   HD22  LEU 131          HD22      LEU 131   6.513   1.403   3.149
  811   HD23  LEU 131          HD23      LEU 131   4.898   1.469   2.422
  812    H    HIS 132           HN       HIS 132   6.930   6.456   1.169
  813    HA   HIS 132           HA       HIS 132   7.391   6.064  -1.651
  814    HB2  HIS 132           HB2      HIS 132   8.251   7.930  -0.048
  815    HB3  HIS 132           HB1      HIS 132   9.445   6.758   0.407
  816    HD1  HIS 132           HD1      HIS 132  10.834   8.987  -0.563
  817    HD2  HIS 132           HD2      HIS 132   9.140   6.343  -3.254
  818    HE1  HIS 132           HE1      HIS 132  12.044   9.359  -2.675
  819    HE2  HIS 132           HE2      HIS 132  10.576   8.187  -4.339
  820    H    ILE 133           HN       ILE 133   7.964   4.271  -2.470
  821    HA   ILE 133           HA       ILE 133   8.901   1.988  -1.202
  822    HB   ILE 133           HB       ILE 133   8.581   2.954  -3.963
  823   HG12  ILE 133          HG12      ILE 133   6.610   1.862  -3.149
  824   HG13  ILE 133          HG11      ILE 133   7.378   0.748  -4.191
  825   HG21  ILE 133          HG21      ILE 133  10.366   0.630  -3.462
  826   HG22  ILE 133          HG22      ILE 133  10.659   2.045  -4.463
  827   HG23  ILE 133          HG23      ILE 133   9.512   0.810  -4.973
  828   HD11  ILE 133          HD11      ILE 133   8.361  -0.349  -2.220
  829   HD12  ILE 133          HD12      ILE 133   6.602  -0.356  -2.302
  830   HD13  ILE 133          HD13      ILE 133   7.420   0.777  -1.225
  831    H    LYS 134           HN       LYS 134  10.517   4.667  -2.417
  832    HA   LYS 134           HA       LYS 134  13.070   3.322  -2.618
  833    HB2  LYS 134           HB2      LYS 134  12.389   6.219  -2.890
  834    HB3  LYS 134           HB1      LYS 134  14.018   5.568  -3.074
  835    HG2  LYS 134           HG2      LYS 134  13.280   4.228  -4.999
  836    HG3  LYS 134           HG1      LYS 134  11.633   4.790  -4.709
  837    HD2  LYS 134           HD2      LYS 134  12.789   5.946  -6.586
  838    HD3  LYS 134           HD1      LYS 134  12.148   6.992  -5.319
  839    HE2  LYS 134           HE2      LYS 134  14.261   7.093  -4.309
  840    HE3  LYS 134           HE1      LYS 134  15.015   6.091  -5.554
  841    HZ1  LYS 134           HZ1      LYS 134  15.418   8.454  -5.976
  842    HZ2  LYS 134           HZ2      LYS 134  13.782   8.789  -5.974
  843    HZ3  LYS 134           HZ3      LYS 134  14.444   7.829  -7.191
  844    H    THR 135           HN       THR 135  11.738   5.779  -0.422
  845    HA   THR 135           HA       THR 135  14.109   5.311   1.250
  846    HB   THR 135           HB       THR 135  13.617   7.545   2.250
  847    HG1  THR 135           HG1      THR 135  12.093   8.755   1.485
  848   HG21  THR 135          HG21      THR 135  14.439   8.827   0.309
  849   HG22  THR 135          HG22      THR 135  14.042   7.468  -0.742
  850   HG23  THR 135          HG23      THR 135  15.298   7.294   0.485
  851    H    GLY 136           HN       GLY 136  10.647   5.217   1.256
  852    HA2  GLY 136           HA2      GLY 136   9.264   4.205   2.833
  853    HA3  GLY 136           HA1      GLY 136  10.652   4.044   3.909
  854    H    GLU 137           HN       GLU 137   9.264   6.752   2.285
  855    HA   GLU 137           HA       GLU 137   8.777   7.944   4.901
  856    HB2  GLU 137           HB2      GLU 137   9.680   9.149   2.347
  857    HB3  GLU 137           HB1      GLU 137   9.116  10.077   3.747
  858    HG2  GLU 137           HG2      GLU 137  10.914   9.090   5.102
  859    HG3  GLU 137           HG1      GLU 137  11.449   8.173   3.703
  860    H    TRP 138           HN       TRP 138   6.950   9.134   5.105
  861    HA   TRP 138           HA       TRP 138   4.869   8.374   3.215
  862    HB2  TRP 138           HB2      TRP 138   4.602   9.370   6.025
  863    HB3  TRP 138           HB1      TRP 138   3.323   8.718   5.005
  864    HD1  TRP 138           HD1      TRP 138   5.792   6.346   4.195
  865    HE1  TRP 138           HE1      TRP 138   5.889   4.421   5.859
  866    HE3  TRP 138           HE3      TRP 138   3.140   8.349   7.979
  867    HZ2  TRP 138           HZ2      TRP 138   5.008   3.775   8.214
  868    HZ3  TRP 138           HZ3      TRP 138   2.765   6.894  10.031
  869    HH2  TRP 138           HH2      TRP 138   3.675   4.660  10.117
  870    H    LYS 139           HN       LYS 139   3.364   9.765   2.650
  871    HA   LYS 139           HA       LYS 139   3.909  12.661   2.752
  872    HB2  LYS 139           HB2      LYS 139   2.873  10.841   0.603
  873    HB3  LYS 139           HB1      LYS 139   2.611  12.586   0.557
  874    HG2  LYS 139           HG2      LYS 139   4.842  13.009   0.677
  875    HG3  LYS 139           HG1      LYS 139   5.261  11.331   0.913
  876    HD2  LYS 139           HD2      LYS 139   4.038  12.590  -1.579
  877    HD3  LYS 139           HD1      LYS 139   5.730  12.143  -1.419
  878    HE2  LYS 139           HE2      LYS 139   5.039   9.797  -1.124
  879    HE3  LYS 139           HE1      LYS 139   3.372  10.283  -1.380
  880    HZ1  LYS 139           HZ1      LYS 139   4.460   9.457  -3.488
  881    HZ2  LYS 139           HZ2      LYS 139   5.523  10.738  -3.370
  882    HZ3  LYS 139           HZ3      LYS 139   3.898  11.040  -3.576
  883    H    LYS 140           HN       LYS 140   2.377  13.889   3.035
  884    HA   LYS 140           HA       LYS 140   0.222  12.751   4.650
  885    HB2  LYS 140           HB2      LYS 140   1.048  15.579   4.172
  886    HB3  LYS 140           HB1      LYS 140  -0.376  15.119   5.076
  887    HG2  LYS 140           HG2      LYS 140   1.098  13.874   6.627
  888    HG3  LYS 140           HG1      LYS 140   2.479  14.572   5.761
  889    HD2  LYS 140           HD2      LYS 140   1.646  16.740   6.125
  890    HD3  LYS 140           HD1      LYS 140   0.245  16.144   7.004
  891    HE2  LYS 140           HE2      LYS 140   1.803  15.098   8.661
  892    HE3  LYS 140           HE1      LYS 140   3.133  15.916   7.855
  893    HZ1  LYS 140           HZ1      LYS 140   2.112  18.043   8.370
  894    HZ2  LYS 140           HZ2      LYS 140   2.401  17.160   9.768
  895    HZ3  LYS 140           HZ3      LYS 140   0.836  17.263   9.160
  896    H    GLY 141           HN       GLY 141  -1.812  12.471   3.960
  897    HA2  GLY 141           HA2      GLY 141  -3.384  14.289   2.713
  898    HA3  GLY 141           HA1      GLY 141  -2.625  13.382   1.422
  899    H    ASN 142           HN       ASN 142  -4.892  12.954   1.084
  900    HA   ASN 142           HA       ASN 142  -5.569  10.340   2.113
  901    HB2  ASN 142           HB2      ASN 142  -8.039  11.046   2.173
  902    HB3  ASN 142           HB1      ASN 142  -7.055  11.558   3.531
  903   HD21  ASN 142          HD21      ASN 142  -7.031  13.186   0.377
  904   HD22  ASN 142          HD22      ASN 142  -7.858  14.587   0.910
  905    H    CYS 143           HN       CYS 143  -6.448   9.036   0.454
  906    HA   CYS 143           HA       CYS 143  -6.103  10.365  -2.032
  907    HB2  CYS 143           HB2      CYS 143  -5.569   7.713  -1.277
  908    HB3  CYS 143           HB1      CYS 143  -6.695   7.684  -2.640
  909    H    GLU 144           HN       GLU 144  -7.819  11.560  -1.651
  910    HA   GLU 144           HA       GLU 144 -10.375  10.430  -2.394
  911    HB2  GLU 144           HB2      GLU 144  -9.578  13.287  -1.795
  912    HB3  GLU 144           HB1      GLU 144 -11.223  12.726  -2.039
  913    HG2  GLU 144           HG2      GLU 144  -9.419  11.789   0.190
  914    HG3  GLU 144           HG1      GLU 144 -10.645  13.055   0.358
  915    H    VAL 145           HN       VAL 145  -8.120  10.454  -4.074
  916    HA   VAL 145           HA       VAL 145  -9.068  12.009  -6.383
  917    HB   VAL 145           HB       VAL 145  -6.835  12.074  -7.295
  918   HG11  VAL 145          HG11      VAL 145  -6.796  12.882  -4.414
  919   HG12  VAL 145          HG12      VAL 145  -7.429  13.808  -5.776
  920   HG13  VAL 145          HG13      VAL 145  -5.693  13.473  -5.670
  921   HG21  VAL 145          HG21      VAL 145  -5.942  10.486  -4.880
  922   HG22  VAL 145          HG22      VAL 145  -4.870  11.213  -6.079
  923   HG23  VAL 145          HG23      VAL 145  -5.973   9.924  -6.557
  924    H    SER 146           HN       SER 146  -8.766  10.944  -8.423
  925    HA   SER 146           HA       SER 146  -9.616   8.211  -8.126
  926    HB2  SER 146           HB2      SER 146  -9.433   9.878 -10.570
  927    HB3  SER 146           HB1      SER 146 -10.303   8.339 -10.371
  928    HG   SER 146           HG       SER 146 -11.269   9.632  -8.474
  929    H    SER 147           HN       SER 147  -6.669   9.565  -8.500
  930    HA   SER 147           HA       SER 147  -5.640   7.986 -10.633
  931    HB2  SER 147           HB2      SER 147  -4.193   9.648  -8.635
  932    HB3  SER 147           HB1      SER 147  -3.581   9.129 -10.209
  933    HG   SER 147           HG       SER 147  -5.791  10.262 -10.807
  934    H    VAL 148           HN       VAL 148  -6.594   6.508  -8.178
  935    HA   VAL 148           HA       VAL 148  -3.999   5.355  -7.464
  936    HB   VAL 148           HB       VAL 148  -6.463   4.417  -5.962
  937   HG11  VAL 148          HG11      VAL 148  -4.947   3.835  -4.340
  938   HG12  VAL 148          HG12      VAL 148  -3.603   4.446  -5.310
  939   HG13  VAL 148          HG13      VAL 148  -4.574   3.089  -5.883
  940   HG21  VAL 148          HG21      VAL 148  -6.404   6.897  -5.820
  941   HG22  VAL 148          HG22      VAL 148  -4.728   6.786  -5.282
  942   HG23  VAL 148          HG23      VAL 148  -6.018   6.101  -4.295
  943    H    GLU 149           HN       GLU 149  -3.372   3.594  -8.099
  944    HA   GLU 149           HA       GLU 149  -5.185   1.859  -9.601
  945    HB2  GLU 149           HB2      GLU 149  -2.378   2.612 -10.355
  946    HB3  GLU 149           HB1      GLU 149  -3.361   1.332 -11.066
  947    HG2  GLU 149           HG2      GLU 149  -4.844   2.816 -12.024
  948    HG3  GLU 149           HG1      GLU 149  -4.270   4.178 -11.066
  949    H    GLY 150           HN       GLY 150  -3.606   1.924  -6.896
  950    HA2  GLY 150           HA2      GLY 150  -3.515  -0.867  -6.649
  951    HA3  GLY 150           HA1      GLY 150  -1.895  -0.267  -6.977
  952    H    THR 151           HN       THR 151  -3.472  -1.420  -4.624
  953    HA   THR 151           HA       THR 151  -2.256   0.374  -2.704
  954    HB   THR 151           HB       THR 151  -4.573   0.963  -2.507
  955    HG1  THR 151           HG1      THR 151  -4.444  -0.923  -0.482
  956   HG21  THR 151          HG21      THR 151  -5.565  -0.946  -3.703
  957   HG22  THR 151          HG22      THR 151  -6.349  -0.692  -2.142
  958   HG23  THR 151          HG23      THR 151  -5.178  -1.995  -2.338
  959    H    LEU 152           HN       LEU 152  -1.612  -0.656  -0.804
  960    HA   LEU 152           HA       LEU 152  -1.206  -3.517  -1.153
  961    HB2  LEU 152           HB2      LEU 152   0.742  -2.058  -0.484
  962    HB3  LEU 152           HB1      LEU 152  -0.110  -1.744   1.009
  963    HG   LEU 152           HG       LEU 152  -0.369  -4.233   1.174
  964   HD11  LEU 152          HD11      LEU 152   0.553  -4.932  -0.908
  965   HD12  LEU 152          HD12      LEU 152   1.491  -5.567   0.444
  966   HD13  LEU 152          HD13      LEU 152   2.119  -4.207  -0.487
  967   HD21  LEU 152          HD21      LEU 152   2.029  -4.329   2.130
  968   HD22  LEU 152          HD22      LEU 152   0.623  -3.563   2.838
  969   HD23  LEU 152          HD23      LEU 152   1.831  -2.555   1.964
  970    H    CYS 153           HN       CYS 153  -2.202  -4.879   0.011
  971    HA   CYS 153           HA       CYS 153  -4.106  -3.815   1.929
  972    HB2  CYS 153           HB2      CYS 153  -4.067  -6.477   0.620
  973    HB3  CYS 153           HB1      CYS 153  -5.383  -5.740   1.507
  974    H    LYS 154           HN       LYS 154  -4.192  -4.591   3.838
  975    HA   LYS 154           HA       LYS 154  -2.266  -6.603   4.678
  976    HB2  LYS 154           HB2      LYS 154  -1.329  -4.515   5.316
  977    HB3  LYS 154           HB1      LYS 154  -2.864  -3.935   5.989
  978    HG2  LYS 154           HG2      LYS 154  -2.639  -5.678   7.732
  979    HG3  LYS 154           HG1      LYS 154  -1.088  -6.131   7.027
  980    HD2  LYS 154           HD2      LYS 154  -0.262  -3.840   7.407
  981    HD3  LYS 154           HD1      LYS 154  -1.793  -3.433   8.182
  982    HE2  LYS 154           HE2      LYS 154  -0.076  -5.692   9.054
  983    HE3  LYS 154           HE1      LYS 154   0.145  -4.062   9.734
  984    HZ1  LYS 154           HZ1      LYS 154  -2.312  -5.757   9.881
  985    HZ2  LYS 154           HZ2      LYS 154  -2.124  -4.236  10.603
  986    HZ3  LYS 154           HZ3      LYS 154  -1.190  -5.529  11.104
  987    H    THR 155           HN       THR 155  -3.196  -8.046   5.952
  988    HA   THR 155           HA       THR 155  -5.862  -7.460   6.971
  989    HB   THR 155           HB       THR 155  -6.036  -8.730   4.809
  990    HG1  THR 155           HG1      THR 155  -7.507 -10.142   5.509
  991   HG21  THR 155          HG21      THR 155  -3.986 -10.019   4.946
  992   HG22  THR 155          HG22      THR 155  -5.354 -11.131   4.753
  993   HG23  THR 155          HG23      THR 155  -4.593 -10.895   6.335
  994    H    ALA 156           HN       ALA 156  -5.922  -7.899   9.055
  995    HA   ALA 156           HA       ALA 156  -3.679  -9.122  10.317
  996    HB1  ALA 156           HB1      ALA 156  -4.967  -7.345  11.409
  997    HB2  ALA 156           HB2      ALA 156  -4.951  -8.859  12.341
  998    HB3  ALA 156           HB3      ALA 156  -6.375  -8.427  11.406
  999    H    ILE 157           HN       ILE 157  -3.478 -11.261  10.900
 1000    HA   ILE 157           HA       ILE 157  -5.777 -12.805  10.240
 1001    HB   ILE 157           HB       ILE 157  -4.230 -14.734  10.412
 1002   HG12  ILE 157          HG12      ILE 157  -2.184 -12.626  10.235
 1003   HG13  ILE 157          HG11      ILE 157  -2.600 -13.371  11.770
 1004   HG21  ILE 157          HG21      ILE 157  -3.582 -12.581   8.383
 1005   HG22  ILE 157          HG22      ILE 157  -4.921 -13.726   8.268
 1006   HG23  ILE 157          HG23      ILE 157  -3.259 -14.308   8.187
 1007   HD11  ILE 157          HD11      ILE 157  -1.612 -14.682   9.336
 1008   HD12  ILE 157          HD12      ILE 157  -2.219 -15.466  10.811
 1009   HD13  ILE 157          HD13      ILE 157  -0.723 -14.465  10.882
 1010    HA   PRO 158           HA       PRO 158  -6.266 -13.266  14.642
 1011    HB2  PRO 158           HB2      PRO 158  -8.864 -14.222  14.323
 1012    HB3  PRO 158           HB1      PRO 158  -8.333 -12.531  14.504
 1013    HG2  PRO 158           HG2      PRO 158  -9.410 -13.787  12.155
 1014    HG3  PRO 158           HG1      PRO 158  -9.058 -12.082  12.455
 1015    HD2  PRO 158           HD2      PRO 158  -7.405 -13.966  10.909
 1016    HD3  PRO 158           HD1      PRO 158  -7.209 -12.264  11.116
 1017    H    TYR 159           HN       TYR 159  -5.730 -15.259  12.410
 1018    HA   TYR 159           HA       TYR 159  -6.568 -17.794  13.396
 1019    HB2  TYR 159           HB2      TYR 159  -4.467 -17.038  11.386
 1020    HB3  TYR 159           HB1      TYR 159  -4.865 -18.728  11.753
 1021    HD1  TYR 159           HD1      TYR 159  -6.053 -15.551  10.571
 1022    HD2  TYR 159           HD2      TYR 159  -6.681 -19.701  10.580
 1023    HE1  TYR 159           HE1      TYR 159  -7.608 -15.268   8.754
 1024    HE2  TYR 159           HE2      TYR 159  -8.319 -19.486   8.749
 1025    HH   TYR 159           HH       TYR 159  -8.586 -16.655   6.923
 1026    H    LYS 160           HN       LYS 160  -3.584 -16.018  13.318
 1027    HA   LYS 160           HA       LYS 160  -2.420 -17.762  15.365
 1028    HB2  LYS 160           HB2      LYS 160  -1.163 -15.955  13.329
 1029    HB3  LYS 160           HB1      LYS 160  -0.249 -16.731  14.628
 1030    HG2  LYS 160           HG2      LYS 160  -0.881 -18.888  13.721
 1031    HG3  LYS 160           HG1      LYS 160  -1.807 -18.102  12.441
 1032    HD2  LYS 160           HD2      LYS 160   0.352 -18.777  11.566
 1033    HD3  LYS 160           HD1      LYS 160   0.283 -17.021  11.651
 1034    HE2  LYS 160           HE2      LYS 160   1.516 -17.157  13.827
 1035    HE3  LYS 160           HE1      LYS 160   1.673 -18.890  13.565
 1036    HZ1  LYS 160           HZ1      LYS 160   3.642 -17.699  12.864
 1037    HZ2  LYS 160           HZ2      LYS 160   2.730 -16.768  11.797
 1038    HZ3  LYS 160           HZ3      LYS 160   2.906 -18.428  11.533
 1039    H    ARG 161           HN       ARG 161  -4.247 -15.300  15.587
 1040    HA   ARG 161           HA       ARG 161  -2.485 -13.555  17.100
 1041    HB2  ARG 161           HB2      ARG 161  -4.102 -12.423  15.579
 1042    HB3  ARG 161           HB1      ARG 161  -5.402 -13.258  16.406
 1043    HG2  ARG 161           HG2      ARG 161  -5.143 -12.018  18.377
 1044    HG3  ARG 161           HG1      ARG 161  -3.587 -11.374  17.865
 1045    HD2  ARG 161           HD2      ARG 161  -6.167 -10.821  16.420
 1046    HD3  ARG 161           HD1      ARG 161  -5.531  -9.782  17.701
 1047    HE   ARG 161           HE       ARG 161  -3.490 -10.112  15.918
 1048   HH11  ARG 161          HH11      ARG 161  -6.775  -8.800  15.669
 1049   HH12  ARG 161          HH12      ARG 161  -6.367  -7.590  14.550
 1050   HH21  ARG 161          HH21      ARG 161  -2.920  -8.483  14.372
 1051   HH22  ARG 161          HH22      ARG 161  -4.109  -7.381  13.819
  Start of MODEL    7
    1    H1   MET  22           HT1      MET  22   1.505 -18.309   5.328
    2    H2   MET  22           HT2      MET  22   0.696 -18.635   3.888
    3    H3   MET  22           HT3      MET  22   2.232 -19.224   4.120
    4    HA   MET  22           HA       MET  22   0.504 -20.881   4.299
    5    HB2  MET  22           HB2      MET  22   1.178 -21.863   6.510
    6    HB3  MET  22           HB1      MET  22   2.509 -21.470   5.440
    7    HG2  MET  22           HG2      MET  22   1.606 -19.732   7.730
    8    HG3  MET  22           HG1      MET  22   2.849 -20.971   7.865
    9    HE1  MET  22           HE1      MET  22   5.698 -19.581   5.572
   10    HE2  MET  22           HE2      MET  22   4.436 -20.713   5.098
   11    HE3  MET  22           HE3      MET  22   5.207 -20.864   6.678
   12    H    ASP  23           HN       ASP  23  -0.002 -18.224   6.569
   13    HA   ASP  23           HA       ASP  23  -2.532 -19.438   7.425
   14    HB2  ASP  23           HB2      ASP  23  -0.990 -17.019   8.340
   15    HB3  ASP  23           HB1      ASP  23  -2.562 -17.483   8.981
   16    H    CYS  24           HN       CYS  24  -1.391 -17.556   5.015
   17    HA   CYS  24           HA       CYS  24  -3.455 -15.575   4.970
   18    HB2  CYS  24           HB2      CYS  24  -1.342 -16.288   2.946
   19    HB3  CYS  24           HB1      CYS  24  -2.379 -14.865   2.965
   20    HA   PRO  25           HA       PRO  25  -6.598 -17.522   2.437
   21    HB2  PRO  25           HB2      PRO  25  -6.074 -15.217   0.602
   22    HB3  PRO  25           HB1      PRO  25  -7.628 -15.827   1.197
   23    HG2  PRO  25           HG2      PRO  25  -6.661 -13.666   2.253
   24    HG3  PRO  25           HG1      PRO  25  -7.337 -14.923   3.312
   25    HD2  PRO  25           HD2      PRO  25  -4.490 -14.228   2.813
   26    HD3  PRO  25           HD1      PRO  25  -5.281 -14.761   4.309
   27    H    SER  26           HN       SER  26  -4.098 -15.990   0.367
   28    HA   SER  26           HA       SER  26  -3.780 -18.542  -0.936
   29    HB2  SER  26           HB2      SER  26  -3.570 -17.339  -3.144
   30    HB3  SER  26           HB1      SER  26  -5.190 -17.303  -2.455
   31    HG   SER  26           HG       SER  26  -4.359 -15.296  -3.324
   32    H    SER  27           HN       SER  27  -1.703 -18.406  -2.393
   33    HA   SER  27           HA       SER  27   0.401 -17.804  -0.624
   34    HB2  SER  27           HB2      SER  27   1.765 -18.647  -2.612
   35    HB3  SER  27           HB1      SER  27   0.610 -19.765  -1.882
   36    HG   SER  27           HG       SER  27   0.670 -19.487  -4.267
   37    H    THR  28           HN       THR  28  -1.218 -15.879  -2.888
   38    HA   THR  28           HA       THR  28   0.942 -14.269  -3.808
   39    HB   THR  28           HB       THR  28  -1.943 -13.411  -3.508
   40    HG1  THR  28           HG1      THR  28  -0.738 -15.318  -5.148
   41   HG21  THR  28          HG21      THR  28  -1.433 -12.067  -5.514
   42   HG22  THR  28          HG22      THR  28   0.188 -12.748  -5.565
   43   HG23  THR  28          HG23      THR  28  -0.272 -11.709  -4.238
   44    H    TRP  29           HN       TRP  29  -0.813 -14.536  -0.901
   45    HA   TRP  29           HA       TRP  29  -0.336 -11.852   0.010
   46    HB2  TRP  29           HB2      TRP  29  -1.284 -14.272   1.501
   47    HB3  TRP  29           HB1      TRP  29  -1.215 -12.642   2.139
   48    HD1  TRP  29           HD1      TRP  29  -2.991 -14.615  -0.558
   49    HE1  TRP  29           HE1      TRP  29  -5.332 -13.600  -0.917
   50    HE3  TRP  29           HE3      TRP  29  -2.534 -10.822   2.498
   51    HZ2  TRP  29           HZ2      TRP  29  -6.757 -11.461   0.057
   52    HZ3  TRP  29           HZ3      TRP  29  -4.527  -9.187   2.792
   53    HH2  TRP  29           HH2      TRP  29  -6.553  -9.580   1.563
   54    H    ILE  30           HN       ILE  30   1.103 -11.284   1.357
   55    HA   ILE  30           HA       ILE  30   3.269 -13.124   1.931
   56    HB   ILE  30           HB       ILE  30   3.160 -10.119   1.569
   57   HG12  ILE  30          HG12      ILE  30   4.422 -12.394   0.048
   58   HG13  ILE  30          HG11      ILE  30   2.994 -11.489  -0.409
   59   HG21  ILE  30          HG21      ILE  30   5.589 -11.822   2.272
   60   HG22  ILE  30          HG22      ILE  30   4.776 -10.691   3.363
   61   HG23  ILE  30          HG23      ILE  30   5.570 -10.086   1.919
   62   HD11  ILE  30          HD11      ILE  30   4.354  -9.501  -0.540
   63   HD12  ILE  30          HD12      ILE  30   4.800 -10.769  -1.672
   64   HD13  ILE  30          HD13      ILE  30   5.789 -10.490  -0.224
   65    H    GLN  31           HN       GLN  31   3.489 -13.729   3.890
   66    HA   GLN  31           HA       GLN  31   1.819 -12.539   5.954
   67    HB2  GLN  31           HB2      GLN  31   1.761 -15.015   5.438
   68    HB3  GLN  31           HB1      GLN  31   3.422 -15.092   5.999
   69    HG2  GLN  31           HG2      GLN  31   2.692 -14.576   8.219
   70    HG3  GLN  31           HG1      GLN  31   1.082 -14.208   7.613
   71   HE21  GLN  31          HE21      GLN  31   2.113 -16.223   9.409
   72   HE22  GLN  31          HE22      GLN  31   1.397 -17.724   8.905
   73    H    PHE  32           HN       PHE  32   2.663 -11.090   7.177
   74    HA   PHE  32           HA       PHE  32   5.483 -11.274   7.876
   75    HB2  PHE  32           HB2      PHE  32   5.129  -9.589   6.188
   76    HB3  PHE  32           HB1      PHE  32   3.868  -8.852   7.151
   77    HD1  PHE  32           HD2      PHE  32   7.473  -9.761   7.295
   78    HD2  PHE  32           HD1      PHE  32   4.416  -7.068   8.461
   79    HE1  PHE  32           HE2      PHE  32   9.172  -8.275   8.237
   80    HE2  PHE  32           HE1      PHE  32   6.115  -5.554   9.419
   81    HZ   PHE  32           HZ       PHE  32   8.516  -6.160   9.273
   82    H    GLN  33           HN       GLN  33   5.713 -11.485   9.956
   83    HA   GLN  33           HA       GLN  33   5.427 -11.534  12.142
   84    HB2  GLN  33           HB2      GLN  33   3.783  -9.037  11.698
   85    HB3  GLN  33           HB1      GLN  33   4.393  -9.594  13.253
   86    HG2  GLN  33           HG2      GLN  33   6.661  -9.285  12.532
   87    HG3  GLN  33           HG1      GLN  33   6.127  -8.893  10.900
   88   HE21  GLN  33          HE21      GLN  33   7.724  -7.335  12.677
   89   HE22  GLN  33          HE22      GLN  33   6.885  -5.852  12.952
   90    H    ASP  34           HN       ASP  34   2.251 -10.223  11.452
   91    HA   ASP  34           HA       ASP  34   1.000 -12.774  11.988
   92    HB2  ASP  34           HB2      ASP  34  -0.317 -12.006  13.870
   93    HB3  ASP  34           HB1      ASP  34   1.368 -11.684  14.242
   94    H    SER  35           HN       SER  35   1.259 -11.091   9.708
   95    HA   SER  35           HA       SER  35  -1.535 -10.555   9.228
   96    HB2  SER  35           HB2      SER  35  -0.994  -8.454   9.765
   97    HB3  SER  35           HB1      SER  35   0.647  -8.510   9.099
   98    HG   SER  35           HG       SER  35  -0.283  -7.943   7.240
   99    H    CYS  36           HN       CYS  36  -1.985 -10.191   7.066
  100    HA   CYS  36           HA       CYS  36  -0.095 -11.275   5.131
  101    HB2  CYS  36           HB2      CYS  36  -3.047 -11.726   5.400
  102    HB3  CYS  36           HB1      CYS  36  -2.088 -12.196   4.013
  103    H    TYR  37           HN       TYR  37   0.285 -10.354   3.601
  104    HA   TYR  37           HA       TYR  37  -0.925  -7.736   3.089
  105    HB2  TYR  37           HB2      TYR  37   1.778  -8.901   3.095
  106    HB3  TYR  37           HB1      TYR  37   1.527  -7.409   2.356
  107    HD1  TYR  37           HD1      TYR  37   1.484  -9.209   5.393
  108    HD2  TYR  37           HD2      TYR  37   1.158  -5.503   3.630
  109    HE1  TYR  37           HE1      TYR  37   1.979  -8.337   7.512
  110    HE2  TYR  37           HE2      TYR  37   1.570  -4.394   5.859
  111    HH   TYR  37           HH       TYR  37   2.822  -5.132   7.832
  112    H    ILE  38           HN       ILE  38  -1.397  -7.272   0.990
  113    HA   ILE  38           HA       ILE  38  -0.156  -8.750  -1.151
  114    HB   ILE  38           HB       ILE  38  -2.137 -10.148  -0.640
  115   HG12  ILE  38          HG12      ILE  38  -2.357  -8.675  -3.274
  116   HG13  ILE  38          HG11      ILE  38  -1.284 -10.026  -2.940
  117   HG21  ILE  38          HG21      ILE  38  -3.709  -7.668  -1.280
  118   HG22  ILE  38          HG22      ILE  38  -3.630  -8.521   0.267
  119   HG23  ILE  38          HG23      ILE  38  -4.394  -9.284  -1.127
  120   HD11  ILE  38          HD11      ILE  38  -3.201 -11.449  -2.541
  121   HD12  ILE  38          HD12      ILE  38  -3.211 -10.755  -4.166
  122   HD13  ILE  38          HD13      ILE  38  -4.286 -10.099  -2.915
  123    H    PHE  39           HN       PHE  39   0.199  -7.502  -2.932
  124    HA   PHE  39           HA       PHE  39  -1.099  -4.845  -2.868
  125    HB2  PHE  39           HB2      PHE  39   1.564  -5.315  -3.279
  126    HB3  PHE  39           HB1      PHE  39   0.926  -5.416  -4.859
  127    HD1  PHE  39           HD1      PHE  39   0.888  -3.181  -2.030
  128    HD2  PHE  39           HD2      PHE  39   0.473  -3.607  -6.142
  129    HE1  PHE  39           HE1      PHE  39   0.854  -0.724  -2.236
  130    HE2  PHE  39           HE2      PHE  39   0.430  -1.132  -6.416
  131    HZ   PHE  39           HZ       PHE  39   0.616   0.298  -4.468
  132    H    LEU  40           HN       LEU  40  -2.525  -4.514  -4.285
  133    HA   LEU  40           HA       LEU  40  -2.195  -6.048  -6.554
  134    HB2  LEU  40           HB2      LEU  40  -4.816  -5.802  -6.721
  135    HB3  LEU  40           HB1      LEU  40  -4.048  -7.242  -6.084
  136    HG   LEU  40           HG       LEU  40  -5.986  -6.677  -4.789
  137   HD11  LEU  40          HD11      LEU  40  -5.074  -6.420  -2.545
  138   HD12  LEU  40          HD12      LEU  40  -3.519  -6.015  -3.280
  139   HD13  LEU  40          HD13      LEU  40  -4.199  -7.603  -3.526
  140   HD21  LEU  40          HD21      LEU  40  -6.251  -4.563  -3.551
  141   HD22  LEU  40          HD22      LEU  40  -6.226  -4.298  -5.289
  142   HD23  LEU  40          HD23      LEU  40  -4.796  -3.941  -4.325
  143    H    GLN  41           HN       GLN  41  -1.358  -4.620  -7.759
  144    HA   GLN  41           HA       GLN  41  -2.450  -2.057  -7.981
  145    HB2  GLN  41           HB2      GLN  41  -0.752  -3.585  -9.946
  146    HB3  GLN  41           HB1      GLN  41  -1.297  -1.934 -10.253
  147    HG2  GLN  41           HG2      GLN  41  -0.315  -1.235  -8.157
  148    HG3  GLN  41           HG1      GLN  41   0.319  -2.867  -7.919
  149   HE21  GLN  41          HE21      GLN  41   2.466  -2.139  -7.812
  150   HE22  GLN  41          HE22      GLN  41   3.222  -1.505  -9.235
  151    H    GLU  42           HN       GLU  42  -4.556  -2.113  -8.071
  152    HA   GLU  42           HA       GLU  42  -5.940  -3.097 -10.473
  153    HB2  GLU  42           HB2      GLU  42  -6.936  -2.414  -7.727
  154    HB3  GLU  42           HB1      GLU  42  -8.011  -2.806  -9.033
  155    HG2  GLU  42           HG2      GLU  42  -5.951  -4.628  -7.789
  156    HG3  GLU  42           HG1      GLU  42  -7.688  -4.712  -7.519
  157    H    ALA  43           HN       ALA  43  -6.486  -1.523 -11.849
  158    HA   ALA  43           HA       ALA  43  -6.439   1.276 -11.022
  159    HB1  ALA  43           HB1      ALA  43  -6.976   0.018 -13.717
  160    HB2  ALA  43           HB2      ALA  43  -5.423   0.638 -13.157
  161    HB3  ALA  43           HB3      ALA  43  -6.779   1.741 -13.392
  162    H    ILE  44           HN       ILE  44  -8.226   2.142 -10.211
  163    HA   ILE  44           HA       ILE  44 -10.813   1.547 -11.397
  164    HB   ILE  44           HB       ILE  44 -12.034   1.243  -9.342
  165   HG12  ILE  44          HG12      ILE  44  -9.460   1.238  -7.791
  166   HG13  ILE  44          HG11      ILE  44 -10.503   2.648  -7.948
  167   HG21  ILE  44          HG21      ILE  44  -9.722  -0.678  -9.425
  168   HG22  ILE  44          HG22      ILE  44 -11.266  -0.847 -10.254
  169   HG23  ILE  44          HG23      ILE  44 -11.186  -0.921  -8.495
  170   HD11  ILE  44          HD11      ILE  44 -11.276   0.005  -6.749
  171   HD12  ILE  44          HD12      ILE  44 -12.326   1.409  -6.941
  172   HD13  ILE  44          HD13      ILE  44 -10.929   1.496  -5.866
  173    H    LYS  45           HN       LYS  45 -12.424   3.123 -10.908
  174    HA   LYS  45           HA       LYS  45 -11.479   5.735 -10.694
  175    HB2  LYS  45           HB2      LYS  45 -13.488   5.012 -11.909
  176    HB3  LYS  45           HB1      LYS  45 -14.268   4.634 -10.375
  177    HG2  LYS  45           HG2      LYS  45 -15.093   6.746 -11.040
  178    HG3  LYS  45           HG1      LYS  45 -13.885   7.006  -9.755
  179    HD2  LYS  45           HD2      LYS  45 -12.217   7.579 -11.359
  180    HD3  LYS  45           HD1      LYS  45 -13.280   7.172 -12.695
  181    HE2  LYS  45           HE2      LYS  45 -13.168   9.596 -12.411
  182    HE3  LYS  45           HE1      LYS  45 -14.795   8.996 -12.107
  183    HZ1  LYS  45           HZ1      LYS  45 -14.373   9.191  -9.720
  184    HZ2  LYS  45           HZ2      LYS  45 -14.066  10.660 -10.473
  185    HZ3  LYS  45           HZ3      LYS  45 -12.792   9.674 -10.036
  186    H    VAL  46           HN       VAL  46 -10.691   6.362  -8.777
  187    HA   VAL  46           HA       VAL  46 -11.938   5.447  -6.326
  188    HB   VAL  46           HB       VAL  46  -9.307   6.881  -6.713
  189   HG11  VAL  46          HG11      VAL  46 -10.392   5.575  -4.243
  190   HG12  VAL  46          HG12      VAL  46 -10.301   7.298  -4.518
  191   HG13  VAL  46          HG13      VAL  46  -8.821   6.346  -4.423
  192   HG21  VAL  46          HG21      VAL  46  -9.249   4.687  -7.681
  193   HG22  VAL  46          HG22      VAL  46  -9.933   4.000  -6.211
  194   HG23  VAL  46          HG23      VAL  46  -8.303   4.697  -6.183
  195    H    GLU  47           HN       GLU  47 -13.365   6.583  -5.603
  196    HA   GLU  47           HA       GLU  47 -13.694   9.386  -6.198
  197    HB2  GLU  47           HB2      GLU  47 -15.318   7.466  -4.506
  198    HB3  GLU  47           HB1      GLU  47 -15.753   9.090  -4.982
  199    HG2  GLU  47           HG2      GLU  47 -15.088   7.075  -6.760
  200    HG3  GLU  47           HG1      GLU  47 -16.794   7.232  -6.274
  201    H    SER  48           HN       SER  48 -12.958   7.262  -3.508
  202    HA   SER  48           HA       SER  48 -11.864   9.428  -1.920
  203    HB2  SER  48           HB2      SER  48 -13.942   7.462  -0.964
  204    HB3  SER  48           HB1      SER  48 -12.947   8.551   0.020
  205    HG   SER  48           HG       SER  48 -13.883  10.278  -1.080
  206    H    ILE  49           HN       ILE  49 -10.537   8.413  -0.150
  207    HA   ILE  49           HA       ILE  49  -9.090   6.317  -1.221
  208    HB   ILE  49           HB       ILE  49  -8.124   7.892   0.346
  209   HG12  ILE  49          HG12      ILE  49  -8.038   4.979   1.094
  210   HG13  ILE  49          HG11      ILE  49  -7.198   5.782   0.022
  211   HG21  ILE  49          HG21      ILE  49  -9.833   8.309   1.830
  212   HG22  ILE  49          HG22      ILE  49  -8.556   7.400   2.754
  213   HG23  ILE  49          HG23      ILE  49  -9.999   6.557   2.123
  214   HD11  ILE  49          HD11      ILE  49  -5.992   7.258   1.435
  215   HD12  ILE  49          HD12      ILE  49  -5.744   5.614   2.017
  216   HD13  ILE  49          HD13      ILE  49  -6.866   6.716   2.847
  217    H    GLU  50           HN       GLU  50 -11.731   6.403   0.697
  218    HA   GLU  50           HA       GLU  50 -12.039   3.798   1.723
  219    HB2  GLU  50           HB2      GLU  50 -14.167   5.459   0.381
  220    HB3  GLU  50           HB1      GLU  50 -14.459   4.141   1.500
  221    HG2  GLU  50           HG2      GLU  50 -12.902   6.547   2.338
  222    HG3  GLU  50           HG1      GLU  50 -14.662   6.566   2.294
  223    H    ASP  51           HN       ASP  51 -12.515   5.036  -1.614
  224    HA   ASP  51           HA       ASP  51 -13.713   2.760  -2.685
  225    HB2  ASP  51           HB2      ASP  51 -12.328   5.154  -3.817
  226    HB3  ASP  51           HB1      ASP  51 -12.874   3.886  -4.810
  227    H    VAL  52           HN       VAL  52 -10.465   3.753  -2.152
  228    HA   VAL  52           HA       VAL  52  -9.480   1.775  -4.010
  229    HB   VAL  52           HB       VAL  52  -8.251   3.832  -4.103
  230   HG11  VAL  52          HG11      VAL  52  -8.182   4.000  -1.264
  231   HG12  VAL  52          HG12      VAL  52  -9.139   4.834  -2.499
  232   HG13  VAL  52          HG13      VAL  52  -7.381   5.067  -2.459
  233   HG21  VAL  52          HG21      VAL  52  -6.681   2.027  -4.226
  234   HG22  VAL  52          HG22      VAL  52  -6.814   1.803  -2.482
  235   HG23  VAL  52          HG23      VAL  52  -5.977   3.231  -3.121
  236    H    ARG  53           HN       ARG  53  -9.839   2.431  -0.693
  237    HA   ARG  53           HA       ARG  53  -8.234   0.365   0.192
  238    HB2  ARG  53           HB2      ARG  53  -8.931   1.343   2.395
  239    HB3  ARG  53           HB1      ARG  53  -9.015   2.547   1.202
  240    HG2  ARG  53           HG2      ARG  53 -10.688   2.794   2.592
  241    HG3  ARG  53           HG1      ARG  53 -11.303   2.119   1.036
  242    HD2  ARG  53           HD2      ARG  53 -11.864   0.114   2.055
  243    HD3  ARG  53           HD1      ARG  53 -10.450   0.377   3.116
  244    HE   ARG  53           HE       ARG  53 -11.569   1.605   4.522
  245   HH11  ARG  53          HH11      ARG  53 -13.819   0.455   1.945
  246   HH12  ARG  53          HH12      ARG  53 -15.226   0.779   2.804
  247   HH21  ARG  53          HH21      ARG  53 -13.637   2.098   5.691
  248   HH22  ARG  53          HH22      ARG  53 -15.133   1.727   4.968
  249    H    ASN  54           HN       ASN  54 -11.309   0.600  -1.042
  250    HA   ASN  54           HA       ASN  54 -12.624  -1.744  -0.183
  251    HB2  ASN  54           HB2      ASN  54 -12.802  -0.039  -2.569
  252    HB3  ASN  54           HB1      ASN  54 -13.764  -1.526  -2.526
  253   HD21  ASN  54          HD21      ASN  54 -14.827   1.092  -2.673
  254   HD22  ASN  54          HD22      ASN  54 -15.667   1.416  -1.209
  255    H    GLN  55           HN       GLN  55 -10.136  -1.224  -2.542
  256    HA   GLN  55           HA       GLN  55 -10.443  -3.599  -4.016
  257    HB2  GLN  55           HB2      GLN  55  -7.907  -2.089  -3.390
  258    HB3  GLN  55           HB1      GLN  55  -8.133  -3.239  -4.700
  259    HG2  GLN  55           HG2      GLN  55  -9.822  -1.726  -5.689
  260    HG3  GLN  55           HG1      GLN  55  -9.560  -0.645  -4.371
  261   HE21  GLN  55          HE21      GLN  55  -8.957   1.001  -5.775
  262   HE22  GLN  55          HE22      GLN  55  -7.366   1.050  -6.461
  263    H    CYS  56           HN       CYS  56  -8.973  -2.829  -0.944
  264    HA   CYS  56           HA       CYS  56  -7.743  -5.364  -0.717
  265    HB2  CYS  56           HB2      CYS  56  -8.061  -3.165   1.317
  266    HB3  CYS  56           HB1      CYS  56  -7.217  -4.653   1.455
  267    H    THR  57           HN       THR  57 -10.632  -3.758   0.555
  268    HA   THR  57           HA       THR  57 -11.246  -5.833   2.347
  269    HB   THR  57           HB       THR  57 -13.471  -4.768   2.469
  270    HG1  THR  57           HG1      THR  57 -14.023  -3.669   0.729
  271   HG21  THR  57          HG21      THR  57 -11.119  -2.908   2.468
  272   HG22  THR  57          HG22      THR  57 -11.638  -3.911   3.820
  273   HG23  THR  57          HG23      THR  57 -12.654  -2.563   3.273
  274    H    ASP  58           HN       ASP  58 -11.551  -5.457  -0.913
  275    HA   ASP  58           HA       ASP  58 -13.599  -7.373  -1.502
  276    HB2  ASP  58           HB2      ASP  58 -12.738  -5.670  -3.148
  277    HB3  ASP  58           HB1      ASP  58 -11.248  -6.592  -3.245
  278    H    HIS  59           HN       HIS  59 -10.314  -7.542  -0.532
  279    HA   HIS  59           HA       HIS  59 -10.093 -10.365  -1.251
  280    HB2  HIS  59           HB2      HIS  59  -7.806  -8.460  -0.478
  281    HB3  HIS  59           HB1      HIS  59  -7.717 -10.155  -0.728
  282    HD1  HIS  59           HD1      HIS  59  -7.125 -11.027  -2.975
  283    HD2  HIS  59           HD2      HIS  59  -8.482  -7.111  -3.058
  284    HE1  HIS  59           HE1      HIS  59  -6.744 -10.225  -5.321
  285    HE2  HIS  59           HE2      HIS  59  -7.842  -7.979  -5.393
  286    H    GLY  60           HN       GLY  60 -11.353  -8.768   1.094
  287    HA2  GLY  60           HA2      GLY  60 -11.821  -9.389   3.271
  288    HA3  GLY  60           HA1      GLY  60 -10.794 -10.797   2.982
  289    H    ALA  61           HN       ALA  61  -9.649  -7.697   2.368
  290    HA   ALA  61           HA       ALA  61  -8.080  -7.617   4.875
  291    HB1  ALA  61           HB1      ALA  61  -6.172  -6.764   3.563
  292    HB2  ALA  61           HB2      ALA  61  -7.089  -7.039   2.083
  293    HB3  ALA  61           HB3      ALA  61  -6.613  -8.406   3.099
  294    H    ASP  62           HN       ASP  62  -7.004  -5.289   4.884
  295    HA   ASP  62           HA       ASP  62  -8.746  -3.373   3.549
  296    HB2  ASP  62           HB2      ASP  62  -9.190  -3.737   6.179
  297    HB3  ASP  62           HB1      ASP  62  -7.780  -2.683   6.300
  298    H    MET  63           HN       MET  63  -7.484  -1.153   3.779
  299    HA   MET  63           HA       MET  63  -5.027  -1.746   2.487
  300    HB2  MET  63           HB2      MET  63  -5.907   0.958   3.532
  301    HB3  MET  63           HB1      MET  63  -4.446   0.688   2.596
  302    HG2  MET  63           HG2      MET  63  -5.780  -0.105   0.722
  303    HG3  MET  63           HG1      MET  63  -7.215   0.178   1.719
  304    HE1  MET  63           HE1      MET  63  -4.441   3.610   0.291
  305    HE2  MET  63           HE2      MET  63  -4.178   2.008  -0.299
  306    HE3  MET  63           HE3      MET  63  -3.929   2.374   1.427
  307    H    ILE  64           HN       ILE  64  -3.011  -1.380   2.937
  308    HA   ILE  64           HA       ILE  64  -1.697  -2.412   5.037
  309    HB   ILE  64           HB       ILE  64  -0.477  -1.956   3.156
  310   HG12  ILE  64          HG12      ILE  64   0.257   0.079   5.174
  311   HG13  ILE  64          HG11      ILE  64   0.939  -1.601   5.062
  312   HG21  ILE  64          HG21      ILE  64  -1.398   0.898   3.255
  313   HG22  ILE  64          HG22      ILE  64  -1.796  -0.360   2.061
  314   HG23  ILE  64          HG23      ILE  64  -0.166   0.277   2.149
  315   HD11  ILE  64          HD11      ILE  64   1.947  -0.919   2.962
  316   HD12  ILE  64          HD12      ILE  64   2.578  -0.026   4.339
  317   HD13  ILE  64          HD13      ILE  64   1.418   0.741   3.226
  318    H    SER  65           HN       SER  65  -0.712  -1.703   6.985
  319    HA   SER  65           HA       SER  65  -0.945   1.030   7.797
  320    HB2  SER  65           HB2      SER  65  -2.335  -1.176   9.273
  321    HB3  SER  65           HB1      SER  65  -2.095   0.468   9.892
  322    HG   SER  65           HG       SER  65  -3.189   0.436   7.385
  323    H    ILE  66           HN       ILE  66   0.723   1.613   8.903
  324    HA   ILE  66           HA       ILE  66   2.674  -0.437   9.536
  325    HB   ILE  66           HB       ILE  66   3.017   2.507   9.037
  326   HG12  ILE  66          HG12      ILE  66   3.706   0.054   7.385
  327   HG13  ILE  66          HG11      ILE  66   2.346   1.125   7.105
  328   HG21  ILE  66          HG21      ILE  66   5.445   1.926   8.970
  329   HG22  ILE  66          HG22      ILE  66   4.999   0.424   9.815
  330   HG23  ILE  66          HG23      ILE  66   4.653   1.981  10.529
  331   HD11  ILE  66          HD11      ILE  66   5.237   1.907   6.924
  332   HD12  ILE  66          HD12      ILE  66   3.840   2.911   6.521
  333   HD13  ILE  66          HD13      ILE  66   4.200   1.467   5.567
  334    H    HIS  67           HN       HIS  67   3.063  -0.962  11.451
  335    HA   HIS  67           HA       HIS  67   2.658   1.060  13.494
  336    HB2  HIS  67           HB2      HIS  67   2.345  -1.944  13.799
  337    HB3  HIS  67           HB1      HIS  67   2.294  -0.791  15.111
  338    HD1  HIS  67           HD1      HIS  67   0.084   0.280  15.612
  339    HD2  HIS  67           HD2      HIS  67   0.087  -1.584  11.908
  340    HE1  HIS  67           HE1      HIS  67  -2.290   0.306  14.864
  341    HE2  HIS  67           HE2      HIS  67  -2.322  -1.236  12.908
  342    H    ASN  68           HN       ASN  68   5.153  -0.169  11.723
  343    HA   ASN  68           HA       ASN  68   7.105   0.521  13.682
  344    HB2  ASN  68           HB2      ASN  68   7.135  -2.353  12.693
  345    HB3  ASN  68           HB1      ASN  68   8.423  -1.598  13.593
  346   HD21  ASN  68          HD21      ASN  68   5.395  -3.079  13.639
  347   HD22  ASN  68          HD22      ASN  68   5.278  -3.349  15.325
  348    H    GLU  69           HN       GLU  69   9.326   0.320  12.754
  349    HA   GLU  69           HA       GLU  69   9.429   1.123  10.066
  350    HB2  GLU  69           HB2      GLU  69  11.786   0.832  10.290
  351    HB3  GLU  69           HB1      GLU  69  11.186   1.743  11.695
  352    HG2  GLU  69           HG2      GLU  69  11.184  -0.559  12.794
  353    HG3  GLU  69           HG1      GLU  69  12.129  -1.078  11.433
  354    H    GLU  70           HN       GLU  70   9.535  -1.941  11.763
  355    HA   GLU  70           HA       GLU  70  10.647  -3.556  10.002
  356    HB2  GLU  70           HB2      GLU  70   8.786  -3.497  12.188
  357    HB3  GLU  70           HB1      GLU  70   8.680  -4.968  11.365
  358    HG2  GLU  70           HG2      GLU  70  11.085  -3.705  12.686
  359    HG3  GLU  70           HG1      GLU  70  10.202  -5.139  13.211
  360    H    GLU  71           HN       GLU  71   7.296  -2.504  10.458
  361    HA   GLU  71           HA       GLU  71   6.079  -3.868   8.308
  362    HB2  GLU  71           HB2      GLU  71   5.214  -2.192  10.358
  363    HB3  GLU  71           HB1      GLU  71   5.117  -1.196   8.917
  364    HG2  GLU  71           HG2      GLU  71   3.588  -3.779   9.348
  365    HG3  GLU  71           HG1      GLU  71   2.977  -2.125   9.138
  366    H    ASN  72           HN       ASN  72   7.307  -0.545   8.721
  367    HA   ASN  72           HA       ASN  72   6.523   0.527   6.322
  368    HB2  ASN  72           HB2      ASN  72   7.343   1.855   8.251
  369    HB3  ASN  72           HB1      ASN  72   8.941   1.177   7.988
  370   HD21  ASN  72          HD21      ASN  72  10.215   1.884   6.324
  371   HD22  ASN  72          HD22      ASN  72   9.798   3.204   5.313
  372    H    ALA  73           HN       ALA  73   9.636  -0.771   7.207
  373    HA   ALA  73           HA       ALA  73  10.790  -0.449   4.642
  374    HB1  ALA  73           HB1      ALA  73  11.680  -2.121   6.956
  375    HB2  ALA  73           HB2      ALA  73  11.984  -0.411   6.739
  376    HB3  ALA  73           HB3      ALA  73  12.666  -1.585   5.565
  377    H    PHE  74           HN       PHE  74   8.978  -2.992   6.145
  378    HA   PHE  74           HA       PHE  74   9.654  -5.182   4.508
  379    HB2  PHE  74           HB2      PHE  74   8.147  -5.611   6.587
  380    HB3  PHE  74           HB1      PHE  74   7.194  -4.342   5.881
  381    HD1  PHE  74           HD2      PHE  74   8.439  -7.651   4.743
  382    HD2  PHE  74           HD1      PHE  74   5.343  -4.908   5.401
  383    HE1  PHE  74           HE2      PHE  74   6.798  -9.273   3.837
  384    HE2  PHE  74           HE1      PHE  74   3.800  -6.301   4.621
  385    HZ   PHE  74           HZ       PHE  74   4.414  -8.625   3.750
  386    H    ILE  75           HN       ILE  75   7.192  -2.804   4.454
  387    HA   ILE  75           HA       ILE  75   5.592  -3.722   2.250
  388    HB   ILE  75           HB       ILE  75   5.921  -0.919   3.353
  389   HG12  ILE  75          HG12      ILE  75   5.441  -2.675   5.011
  390   HG13  ILE  75          HG11      ILE  75   4.197  -1.488   5.039
  391   HG21  ILE  75          HG21      ILE  75   3.759  -0.566   2.588
  392   HG22  ILE  75          HG22      ILE  75   3.674  -2.208   1.933
  393   HG23  ILE  75          HG23      ILE  75   4.802  -1.018   1.223
  394   HD11  ILE  75          HD11      ILE  75   4.157  -4.196   3.792
  395   HD12  ILE  75          HD12      ILE  75   2.871  -2.976   3.620
  396   HD13  ILE  75          HD13      ILE  75   3.329  -3.565   5.226
  397    H    LEU  76           HN       LEU  76   8.025  -1.572   2.801
  398    HA   LEU  76           HA       LEU  76   8.320  -0.324   0.419
  399    HB2  LEU  76           HB2      LEU  76   9.298  -0.322   2.822
  400    HB3  LEU  76           HB1      LEU  76  10.665  -1.014   2.012
  401    HG   LEU  76           HG       LEU  76  10.052   1.043   0.370
  402   HD11  LEU  76          HD11      LEU  76   8.956   2.816   1.480
  403   HD12  LEU  76          HD12      LEU  76   8.844   1.801   2.933
  404   HD13  LEU  76          HD13      LEU  76   8.005   1.324   1.483
  405   HD21  LEU  76          HD21      LEU  76  11.315   1.669   3.016
  406   HD22  LEU  76          HD22      LEU  76  11.355   2.576   1.475
  407   HD23  LEU  76          HD23      LEU  76  12.157   1.001   1.587
  408    H    ASP  77           HN       ASP  77   9.910  -3.225   1.615
  409    HA   ASP  77           HA       ASP  77  11.345  -3.588  -0.966
  410    HB2  ASP  77           HB2      ASP  77  12.539  -5.383   0.109
  411    HB3  ASP  77           HB1      ASP  77  12.264  -4.189   1.478
  412    H    THR  78           HN       THR  78   8.710  -4.783   0.632
  413    HA   THR  78           HA       THR  78   8.719  -7.324  -0.655
  414    HB   THR  78           HB       THR  78   6.911  -5.915   1.237
  415    HG1  THR  78           HG1      THR  78   8.688  -6.714   2.133
  416   HG21  THR  78          HG21      THR  78   5.590  -7.954   1.432
  417   HG22  THR  78          HG22      THR  78   6.528  -8.672   0.112
  418   HG23  THR  78          HG23      THR  78   5.485  -7.283  -0.200
  419    H    LEU  79           HN       LEU  79   7.295  -4.318  -1.039
  420    HA   LEU  79           HA       LEU  79   5.235  -4.796  -2.629
  421    HB2  LEU  79           HB2      LEU  79   6.432  -2.782  -1.567
  422    HB3  LEU  79           HB1      LEU  79   6.988  -2.496  -3.174
  423    HG   LEU  79           HG       LEU  79   5.049  -1.274  -3.099
  424   HD11  LEU  79          HD11      LEU  79   3.210  -2.386  -4.141
  425   HD12  LEU  79          HD12      LEU  79   3.767  -3.921  -3.507
  426   HD13  LEU  79          HD13      LEU  79   4.710  -3.118  -4.766
  427   HD21  LEU  79          HD21      LEU  79   4.634  -1.631  -0.781
  428   HD22  LEU  79          HD22      LEU  79   4.045  -3.270  -1.074
  429   HD23  LEU  79          HD23      LEU  79   3.110  -1.870  -1.626
  430    H    LYS  80           HN       LYS  80   8.459  -3.760  -3.514
  431    HA   LYS  80           HA       LYS  80   8.382  -4.331  -6.289
  432    HB2  LYS  80           HB2      LYS  80  10.592  -3.835  -4.382
  433    HB3  LYS  80           HB1      LYS  80  10.820  -3.828  -6.156
  434    HG2  LYS  80           HG2      LYS  80  10.220  -1.670  -6.103
  435    HG3  LYS  80           HG1      LYS  80   8.634  -2.212  -5.550
  436    HD2  LYS  80           HD2      LYS  80   9.382  -0.732  -4.019
  437    HD3  LYS  80           HD1      LYS  80   9.532  -2.303  -3.279
  438    HE2  LYS  80           HE2      LYS  80  11.897  -2.457  -3.737
  439    HE3  LYS  80           HE1      LYS  80  11.901  -0.914  -4.593
  440    HZ1  LYS  80           HZ1      LYS  80  11.530   0.206  -2.447
  441    HZ2  LYS  80           HZ2      LYS  80  12.804  -0.852  -2.314
  442    HZ3  LYS  80           HZ3      LYS  80  11.309  -1.291  -1.702
  443    H    LYS  81           HN       LYS  81   9.187  -6.229  -3.575
  444    HA   LYS  81           HA       LYS  81  11.030  -8.034  -4.752
  445    HB2  LYS  81           HB2      LYS  81  10.860  -7.424  -2.408
  446    HB3  LYS  81           HB1      LYS  81   9.314  -8.233  -2.341
  447    HG2  LYS  81           HG2      LYS  81  10.364 -10.352  -2.719
  448    HG3  LYS  81           HG1      LYS  81  11.901  -9.527  -2.989
  449    HD2  LYS  81           HD2      LYS  81  12.081 -10.155  -0.688
  450    HD3  LYS  81           HD1      LYS  81  11.504  -8.521  -0.669
  451    HE2  LYS  81           HE2      LYS  81   9.228  -9.411  -0.720
  452    HE3  LYS  81           HE1      LYS  81   9.887 -10.979  -0.338
  453    HZ1  LYS  81           HZ1      LYS  81  10.860 -10.185   1.690
  454    HZ2  LYS  81           HZ2      LYS  81   9.256  -9.669   1.762
  455    HZ3  LYS  81           HZ3      LYS  81  10.481  -8.602   1.328
  456    H    GLN  82           HN       GLN  82   7.728  -8.372  -3.740
  457    HA   GLN  82           HA       GLN  82   7.466 -10.960  -5.150
  458    HB2  GLN  82           HB2      GLN  82   6.620 -10.546  -2.848
  459    HB3  GLN  82           HB1      GLN  82   5.410  -9.489  -3.565
  460    HG2  GLN  82           HG2      GLN  82   4.312 -11.588  -3.299
  461    HG3  GLN  82           HG1      GLN  82   4.739 -11.440  -4.983
  462   HE21  GLN  82          HE21      GLN  82   5.848 -12.836  -1.976
  463   HE22  GLN  82          HE22      GLN  82   6.639 -14.181  -2.716
  464    H    TRP  83           HN       TRP  83   6.065  -7.746  -5.103
  465    HA   TRP  83           HA       TRP  83   4.441  -8.476  -7.401
  466    HB2  TRP  83           HB2      TRP  83   4.030  -6.105  -5.499
  467    HB3  TRP  83           HB1      TRP  83   2.924  -6.730  -6.716
  468    HD1  TRP  83           HD1      TRP  83   2.117  -9.517  -6.072
  469    HE1  TRP  83           HE1      TRP  83   1.348 -10.322  -3.691
  470    HE3  TRP  83           HE3      TRP  83   4.089  -5.878  -3.333
  471    HZ2  TRP  83           HZ2      TRP  83   1.547  -9.467  -1.067
  472    HZ3  TRP  83           HZ3      TRP  83   3.802  -5.841  -0.840
  473    HH2  TRP  83           HH2      TRP  83   2.548  -7.583   0.275
  474    H    LYS  84           HN       LYS  84   4.001  -5.772  -8.200
  475    HA   LYS  84           HA       LYS  84   6.337  -5.367  -9.821
  476    HB2  LYS  84           HB2      LYS  84   3.991  -3.519  -9.431
  477    HB3  LYS  84           HB1      LYS  84   5.148  -3.520 -10.751
  478    HG2  LYS  84           HG2      LYS  84   4.282  -5.553 -11.622
  479    HG3  LYS  84           HG1      LYS  84   3.277  -5.800 -10.191
  480    HD2  LYS  84           HD2      LYS  84   1.888  -4.966 -11.991
  481    HD3  LYS  84           HD1      LYS  84   2.052  -3.727 -10.746
  482    HE2  LYS  84           HE2      LYS  84   3.840  -2.660 -12.113
  483    HE3  LYS  84           HE1      LYS  84   3.520  -3.844 -13.379
  484    HZ1  LYS  84           HZ1      LYS  84   1.556  -1.923 -12.289
  485    HZ2  LYS  84           HZ2      LYS  84   1.255  -3.021 -13.519
  486    HZ3  LYS  84           HZ3      LYS  84   2.360  -1.749 -13.760
  487    H    GLY  85           HN       GLY  85   4.743  -3.090  -7.672
  488    HA2  GLY  85           HA2      GLY  85   5.467  -1.969  -6.245
  489    HA3  GLY  85           HA1      GLY  85   7.004  -2.040  -6.158
  490    HA   PRO  86           HA       PRO  86   5.572   1.502  -8.784
  491    HB2  PRO  86           HB2      PRO  86   3.752   2.837  -7.367
  492    HB3  PRO  86           HB1      PRO  86   3.448   1.255  -8.180
  493    HG2  PRO  86           HG2      PRO  86   3.830   1.659  -5.260
  494    HG3  PRO  86           HG1      PRO  86   2.709   0.612  -6.172
  495    HD2  PRO  86           HD2      PRO  86   5.244  -0.086  -5.155
  496    HD3  PRO  86           HD1      PRO  86   4.073  -0.962  -6.152
  497    H    ASP  87           HN       ASP  87   5.701   3.978  -8.044
  498    HA   ASP  87           HA       ASP  87   8.278   4.256  -6.813
  499    HB2  ASP  87           HB2      ASP  87   6.254   6.343  -7.607
  500    HB3  ASP  87           HB1      ASP  87   7.813   6.740  -6.933
  501    H    ASP  88           HN       ASP  88   4.995   5.034  -5.820
  502    HA   ASP  88           HA       ASP  88   5.807   4.528  -3.056
  503    HB2  ASP  88           HB2      ASP  88   3.733   6.708  -3.314
  504    HB3  ASP  88           HB1      ASP  88   4.885   6.287  -2.099
  505    H    ILE  89           HN       ILE  89   4.247   3.662  -1.923
  506    HA   ILE  89           HA       ILE  89   1.944   2.626  -3.471
  507    HB   ILE  89           HB       ILE  89   1.715   0.946  -1.799
  508   HG12  ILE  89          HG12      ILE  89   2.967   2.670  -0.341
  509   HG13  ILE  89          HG11      ILE  89   2.686   1.125   0.317
  510   HG21  ILE  89          HG21      ILE  89   3.851  -0.187  -2.190
  511   HG22  ILE  89          HG22      ILE  89   4.458   1.302  -2.924
  512   HG23  ILE  89          HG23      ILE  89   3.096   0.424  -3.655
  513   HD11  ILE  89          HD11      ILE  89   5.023   2.012   0.656
  514   HD12  ILE  89          HD12      ILE  89   5.110   2.348  -1.051
  515   HD13  ILE  89          HD13      ILE  89   5.141   0.673  -0.499
  516    H    LEU  90           HN       LEU  90  -0.220   2.765  -2.464
  517    HA   LEU  90           HA       LEU  90  -0.251   5.051  -0.887
  518    HB2  LEU  90           HB2      LEU  90  -2.244   3.675  -2.496
  519    HB3  LEU  90           HB1      LEU  90  -2.758   3.565  -0.946
  520    HG   LEU  90           HG       LEU  90  -2.176   6.239  -2.125
  521   HD11  LEU  90          HD11      LEU  90  -4.596   6.351  -2.322
  522   HD12  LEU  90          HD12      LEU  90  -4.689   4.639  -1.858
  523   HD13  LEU  90          HD13      LEU  90  -3.844   5.131  -3.337
  524   HD21  LEU  90          HD21      LEU  90  -2.147   6.131   0.298
  525   HD22  LEU  90          HD22      LEU  90  -3.746   5.383   0.274
  526   HD23  LEU  90          HD23      LEU  90  -3.533   7.040  -0.311
  527    H    LEU  91           HN       LEU  91  -0.595   5.267   1.186
  528    HA   LEU  91           HA       LEU  91  -0.133   2.914   2.804
  529    HB2  LEU  91           HB2      LEU  91  -0.312   5.898   3.482
  530    HB3  LEU  91           HB1      LEU  91  -0.912   4.743   4.362
  531    HG   LEU  91           HG       LEU  91   0.797   3.964   5.430
  532   HD11  LEU  91          HD11      LEU  91   2.966   3.506   4.470
  533   HD12  LEU  91          HD12      LEU  91   2.396   4.098   2.915
  534   HD13  LEU  91          HD13      LEU  91   1.665   2.667   3.649
  535   HD21  LEU  91          HD21      LEU  91   1.101   6.406   5.536
  536   HD22  LEU  91          HD22      LEU  91   2.230   6.299   4.191
  537   HD23  LEU  91          HD23      LEU  91   2.607   5.531   5.719
  538    H    GLY  92           HN       GLY  92  -1.531   2.662   4.468
  539    HA2  GLY  92           HA2      GLY  92  -4.196   2.863   3.403
  540    HA3  GLY  92           HA1      GLY  92  -3.824   1.667   4.599
  541    H    MET  93           HN       MET  93  -3.741   5.129   4.139
  542    HA   MET  93           HA       MET  93  -4.333   5.432   6.870
  543    HB2  MET  93           HB2      MET  93  -2.310   5.835   6.995
  544    HB3  MET  93           HB1      MET  93  -2.068   6.436   5.311
  545    HG2  MET  93           HG2      MET  93  -3.374   8.381   6.207
  546    HG3  MET  93           HG1      MET  93  -3.017   7.734   7.822
  547    HE1  MET  93           HE1      MET  93  -0.184   6.398   7.049
  548    HE2  MET  93           HE2      MET  93  -0.356   7.250   8.573
  549    HE3  MET  93           HE3      MET  93   0.981   7.642   7.492
  550    H    PHE  94           HN       PHE  94  -5.866   6.960   7.157
  551    HA   PHE  94           HA       PHE  94  -6.556   8.410   4.751
  552    HB2  PHE  94           HB2      PHE  94  -8.926   8.115   5.224
  553    HB3  PHE  94           HB1      PHE  94  -8.082   6.657   5.150
  554    HD1  PHE  94           HD1      PHE  94  -7.703   5.498   7.012
  555    HD2  PHE  94           HD2      PHE  94 -10.139   8.804   7.227
  556    HE1  PHE  94           HE1      PHE  94  -8.707   4.506   9.043
  557    HE2  PHE  94           HE2      PHE  94 -11.198   7.925   9.289
  558    HZ   PHE  94           HZ       PHE  94 -10.400   5.670  10.157
  559    H    TYR  95           HN       TYR  95  -7.469  10.309   5.021
  560    HA   TYR  95           HA       TYR  95  -6.416  11.546   7.432
  561    HB2  TYR  95           HB2      TYR  95  -5.384  12.507   5.402
  562    HB3  TYR  95           HB1      TYR  95  -6.977  12.949   4.798
  563    HD1  TYR  95           HD1      TYR  95  -5.273  13.299   8.020
  564    HD2  TYR  95           HD2      TYR  95  -7.339  15.212   4.903
  565    HE1  TYR  95           HE1      TYR  95  -5.195  15.344   9.315
  566    HE2  TYR  95           HE2      TYR  95  -7.245  17.336   6.127
  567    HH   TYR  95           HH       TYR  95  -5.296  17.819   8.861
  568    H    ASP  96           HN       ASP  96  -7.877  11.454   8.808
  569    HA   ASP  96           HA       ASP  96 -10.613  11.909   8.193
  570    HB2  ASP  96           HB2      ASP  96  -9.850  10.451   9.975
  571    HB3  ASP  96           HB1      ASP  96  -9.282  11.860  10.866
  572    H    THR  97           HN       THR  97 -11.161  14.039   7.815
  573    HA   THR  97           HA       THR  97  -9.389  16.123   8.541
  574    HB   THR  97           HB       THR  97 -11.089  17.553   7.436
  575    HG1  THR  97           HG1      THR  97 -12.976  16.684   6.954
  576   HG21  THR  97          HG21      THR  97 -10.158  15.078   6.031
  577   HG22  THR  97          HG22      THR  97  -9.195  16.510   6.254
  578   HG23  THR  97          HG23      THR  97 -10.591  16.559   5.170
  579    H    ASP  98           HN       ASP  98 -12.120  14.765   9.953
  580    HA   ASP  98           HA       ASP  98 -13.027  16.960  11.559
  581    HB2  ASP  98           HB2      ASP  98 -14.421  15.057  11.158
  582    HB3  ASP  98           HB1      ASP  98 -13.279  13.983  11.929
  583    H    ASP  99           HN       ASP  99 -11.007  14.203  12.169
  584    HA   ASP  99           HA       ASP  99 -10.181  15.074  14.836
  585    HB2  ASP  99           HB2      ASP  99 -10.428  12.637  13.948
  586    HB3  ASP  99           HB1      ASP  99  -8.956  12.962  13.105
  587    H    ALA 100           HN       ALA 100  -9.339  15.310  11.597
  588    HA   ALA 100           HA       ALA 100  -7.811  16.154  10.384
  589    HB1  ALA 100           HB1      ALA 100  -6.479  18.066  11.202
  590    HB2  ALA 100           HB2      ALA 100  -7.011  17.699  12.851
  591    HB3  ALA 100           HB3      ALA 100  -8.187  18.187  11.624
  592    H    SER 101           HN       SER 101  -7.281  13.663  11.184
  593    HA   SER 101           HA       SER 101  -4.400  13.778  11.534
  594    HB2  SER 101           HB2      SER 101  -5.602  13.404  13.667
  595    HB3  SER 101           HB1      SER 101  -6.074  11.833  13.060
  596    HG   SER 101           HG       SER 101  -3.564  12.762  13.858
  597    H    PHE 102           HN       PHE 102  -3.598  11.713  11.305
  598    HA   PHE 102           HA       PHE 102  -4.827  10.546   9.041
  599    HB2  PHE 102           HB2      PHE 102  -1.971  10.360   9.948
  600    HB3  PHE 102           HB1      PHE 102  -2.632   9.482   8.585
  601    HD1  PHE 102           HD1      PHE 102  -3.525  10.649   6.722
  602    HD2  PHE 102           HD2      PHE 102  -1.447  12.594   9.855
  603    HE1  PHE 102           HE1      PHE 102  -3.214  12.654   5.298
  604    HE2  PHE 102           HE2      PHE 102  -1.117  14.567   8.461
  605    HZ   PHE 102           HZ       PHE 102  -1.993  14.610   6.208
  606    H    LYS 103           HN       LYS 103  -5.000   8.192   8.888
  607    HA   LYS 103           HA       LYS 103  -5.117   6.941  11.516
  608    HB2  LYS 103           HB2      LYS 103  -7.537   7.248   9.742
  609    HB3  LYS 103           HB1      LYS 103  -7.495   6.538  11.346
  610    HG2  LYS 103           HG2      LYS 103  -6.686   8.886  12.092
  611    HG3  LYS 103           HG1      LYS 103  -7.182   9.372  10.520
  612    HD2  LYS 103           HD2      LYS 103  -9.326   9.130  10.966
  613    HD3  LYS 103           HD1      LYS 103  -9.185   7.983  12.201
  614    HE2  LYS 103           HE2      LYS 103  -8.251  10.838  12.416
  615    HE3  LYS 103           HE1      LYS 103  -9.702  10.131  13.115
  616    HZ1  LYS 103           HZ1      LYS 103  -8.418   8.853  14.615
  617    HZ2  LYS 103           HZ2      LYS 103  -7.793  10.423  14.693
  618    HZ3  LYS 103           HZ3      LYS 103  -6.967   9.222  13.872
  619    H    TRP 104           HN       TRP 104  -5.220   4.748  11.310
  620    HA   TRP 104           HA       TRP 104  -4.523   3.729   8.692
  621    HB2  TRP 104           HB2      TRP 104  -4.582   2.595  11.472
  622    HB3  TRP 104           HB1      TRP 104  -4.249   1.621  10.022
  623    HD1  TRP 104           HD1      TRP 104  -2.436   2.815  12.744
  624    HE1  TRP 104           HE1      TRP 104  -0.006   3.383  12.158
  625    HE3  TRP 104           HE3      TRP 104  -2.847   3.294   7.650
  626    HZ2  TRP 104           HZ2      TRP 104   1.508   4.053   9.918
  627    HZ3  TRP 104           HZ3      TRP 104  -0.898   3.930   6.399
  628    HH2  TRP 104           HH2      TRP 104   1.270   4.297   7.496
  629    H    PHE 105           HN       PHE 105  -5.809   2.530   7.473
  630    HA   PHE 105           HA       PHE 105  -8.501   2.226   8.190
  631    HB2  PHE 105           HB2      PHE 105  -6.967   1.029   5.839
  632    HB3  PHE 105           HB1      PHE 105  -8.602   0.547   6.208
  633    HD1  PHE 105           HD2      PHE 105 -10.263   2.529   6.561
  634    HD2  PHE 105           HD1      PHE 105  -6.652   2.846   4.236
  635    HE1  PHE 105           HE2      PHE 105 -11.147   4.425   5.284
  636    HE2  PHE 105           HE1      PHE 105  -7.516   4.606   3.094
  637    HZ   PHE 105           HZ       PHE 105  -9.760   5.461   3.539
  638    H    ASP 106           HN       ASP 106  -5.754   0.598   9.027
  639    HA   ASP 106           HA       ASP 106  -6.627  -2.044   9.696
  640    HB2  ASP 106           HB2      ASP 106  -4.293  -1.257   9.645
  641    HB3  ASP 106           HB1      ASP 106  -4.603  -0.232  11.026
  642    H    ASN 107           HN       ASN 107  -7.394   1.043  10.912
  643    HA   ASN 107           HA       ASN 107  -8.738   1.870  12.429
  644    HB2  ASN 107           HB2      ASN 107  -9.619  -0.980  12.934
  645    HB3  ASN 107           HB1      ASN 107 -10.370   0.423  13.679
  646   HD21  ASN 107          HD21      ASN 107 -11.430   1.932  12.293
  647   HD22  ASN 107          HD22      ASN 107 -12.056   1.427  10.766
  648    H    SER 108           HN       SER 108  -6.046   0.858  13.065
  649    HA   SER 108           HA       SER 108  -6.362   1.122  15.936
  650    HB2  SER 108           HB2      SER 108  -5.502  -1.115  15.312
  651    HB3  SER 108           HB1      SER 108  -4.160  -0.366  14.455
  652    HG   SER 108           HG       SER 108  -4.749  -0.333  17.218
  653    H    ASN 109           HN       ASN 109  -4.522   2.419  17.007
  654    HA   ASN 109           HA       ASN 109  -4.287   4.761  15.658
  655    HB2  ASN 109           HB2      ASN 109  -2.643   5.190  17.384
  656    HB3  ASN 109           HB1      ASN 109  -4.292   4.914  18.058
  657   HD21  ASN 109          HD21      ASN 109  -1.730   5.142  19.200
  658   HD22  ASN 109          HD22      ASN 109  -1.226   3.617  19.795
  659    H    MET 110           HN       MET 110  -2.565   5.788  14.961
  660    HA   MET 110           HA       MET 110  -0.565   4.237  13.674
  661    HB2  MET 110           HB2      MET 110  -1.584   6.250  12.777
  662    HB3  MET 110           HB1      MET 110  -0.846   7.203  14.047
  663    HG2  MET 110           HG2      MET 110   1.353   6.728  13.164
  664    HG3  MET 110           HG1      MET 110   0.663   5.624  11.970
  665    HE1  MET 110           HE1      MET 110  -1.284   6.410  10.321
  666    HE2  MET 110           HE2      MET 110  -1.565   8.095   9.891
  667    HE3  MET 110           HE3      MET 110  -2.106   7.501  11.439
  668    H    THR 111           HN       THR 111   0.539   3.185  15.263
  669    HA   THR 111           HA       THR 111   1.582   4.565  17.484
  670    HB   THR 111           HB       THR 111   2.577   2.241  17.903
  671    HG1  THR 111           HG1      THR 111   1.965   0.675  16.642
  672   HG21  THR 111          HG21      THR 111   0.271   1.391  18.489
  673   HG22  THR 111          HG22      THR 111  -0.372   2.880  17.730
  674   HG23  THR 111          HG23      THR 111   0.705   2.974  19.098
  675    H    PHE 112           HN       PHE 112   2.606   4.127  14.272
  676    HA   PHE 112           HA       PHE 112   5.360   4.829  14.918
  677    HB2  PHE 112           HB2      PHE 112   5.057   2.221  14.388
  678    HB3  PHE 112           HB1      PHE 112   4.789   2.781  12.819
  679    HD1  PHE 112           HD2      PHE 112   7.349   3.220  15.476
  680    HD2  PHE 112           HD1      PHE 112   6.343   3.169  11.415
  681    HE1  PHE 112           HE2      PHE 112   9.738   3.485  14.927
  682    HE2  PHE 112           HE1      PHE 112   8.751   3.432  10.781
  683    HZ   PHE 112           HZ       PHE 112  10.444   3.603  12.575
  684    H    ASP 113           HN       ASP 113   6.372   5.928  13.186
  685    HA   ASP 113           HA       ASP 113   4.927   6.400  10.756
  686    HB2  ASP 113           HB2      ASP 113   4.661   8.769  11.018
  687    HB3  ASP 113           HB1      ASP 113   3.783   7.961  12.303
  688    H    LYS 114           HN       LYS 114   5.946   7.189   9.191
  689    HA   LYS 114           HA       LYS 114   8.756   7.866   9.623
  690    HB2  LYS 114           HB2      LYS 114   7.508   6.293   7.367
  691    HB3  LYS 114           HB1      LYS 114   9.168   6.845   7.442
  692    HG2  LYS 114           HG2      LYS 114   8.014   4.952   9.473
  693    HG3  LYS 114           HG1      LYS 114   8.781   4.474   7.953
  694    HD2  LYS 114           HD2      LYS 114  10.139   6.137  10.023
  695    HD3  LYS 114           HD1      LYS 114  10.307   4.389   9.874
  696    HE2  LYS 114           HE2      LYS 114  11.053   6.405   7.722
  697    HE3  LYS 114           HE1      LYS 114  12.122   5.448   8.767
  698    HZ1  LYS 114           HZ1      LYS 114  11.923   4.664   6.568
  699    HZ2  LYS 114           HZ2      LYS 114  10.289   4.379   6.783
  700    HZ3  LYS 114           HZ3      LYS 114  11.442   3.523   7.699
  701    H    TRP 115           HN       TRP 115   7.536  10.029   9.661
  702    HA   TRP 115           HA       TRP 115   6.409  10.863   7.109
  703    HB2  TRP 115           HB2      TRP 115   6.570  12.208   9.767
  704    HB3  TRP 115           HB1      TRP 115   5.902  13.029   8.372
  705    HD1  TRP 115           HD1      TRP 115   4.992  11.057  11.126
  706    HE1  TRP 115           HE1      TRP 115   2.511  10.195  10.892
  707    HE3  TRP 115           HE3      TRP 115   4.364  12.094   6.311
  708    HZ2  TRP 115           HZ2      TRP 115   0.605  10.040   8.819
  709    HZ3  TRP 115           HZ3      TRP 115   2.275  11.611   5.229
  710    HH2  TRP 115           HH2      TRP 115   0.406  10.592   6.420
  711    H    THR 116           HN       THR 116   7.129  12.452   5.799
  712    HA   THR 116           HA       THR 116   9.831  13.447   6.303
  713    HB   THR 116           HB       THR 116   9.703  11.912   4.400
  714    HG1  THR 116           HG1      THR 116  11.115  13.027   3.588
  715   HG21  THR 116          HG21      THR 116   7.371  12.213   3.695
  716   HG22  THR 116          HG22      THR 116   8.454  12.507   2.340
  717   HG23  THR 116          HG23      THR 116   7.728  13.867   3.196
  718    H    ASP 117           HN       ASP 117  10.127  15.606   5.181
  719    HA   ASP 117           HA       ASP 117   7.875  17.334   5.844
  720    HB2  ASP 117           HB2      ASP 117  10.134  18.126   6.440
  721    HB3  ASP 117           HB1      ASP 117  10.600  18.076   4.740
  722    H    GLN 118           HN       GLN 118   6.295  17.947   4.375
  723    HA   GLN 118           HA       GLN 118   6.798  17.391   1.633
  724    HB2  GLN 118           HB2      GLN 118   5.408  15.859   3.231
  725    HB3  GLN 118           HB1      GLN 118   4.628  17.462   3.358
  726    HG2  GLN 118           HG2      GLN 118   3.886  17.573   1.588
  727    HG3  GLN 118           HG1      GLN 118   4.737  16.251   0.722
  728   HE21  GLN 118          HE21      GLN 118   1.830  16.595   0.962
  729   HE22  GLN 118          HE22      GLN 118   1.198  15.221   1.784
  730    H    ASP 119           HN       ASP 119   5.352  18.720   0.472
  731    HA   ASP 119           HA       ASP 119   4.757  21.322   1.539
  732    HB2  ASP 119           HB2      ASP 119   4.816  21.921  -0.749
  733    HB3  ASP 119           HB1      ASP 119   5.752  20.426  -0.400
  734    H    ASP 120           HN       ASP 120   2.576  22.134   1.478
  735    HA   ASP 120           HA       ASP 120   0.430  22.084   2.105
  736    HB2  ASP 120           HB2      ASP 120   0.331  19.566   0.422
  737    HB3  ASP 120           HB1      ASP 120  -1.040  19.996   1.431
  738    H    ASP 121           HN       ASP 121   1.219  22.073   4.107
  739    HA   ASP 121           HA       ASP 121   1.126  19.530   5.590
  740    HB2  ASP 121           HB2      ASP 121   3.196  20.946   5.637
  741    HB3  ASP 121           HB1      ASP 121   2.258  22.170   6.472
  742    H    GLU 122           HN       GLU 122  -0.156  22.768   5.408
  743    HA   GLU 122           HA       GLU 122  -1.690  22.708   7.771
  744    HB2  GLU 122           HB2      GLU 122  -2.124  24.261   5.211
  745    HB3  GLU 122           HB1      GLU 122  -2.895  24.578   6.756
  746    HG2  GLU 122           HG2      GLU 122   0.010  24.751   6.143
  747    HG3  GLU 122           HG1      GLU 122  -1.074  26.130   6.319
  748    H    ASP 123           HN       ASP 123  -2.906  22.762   4.453
  749    HA   ASP 123           HA       ASP 123  -4.749  20.614   5.180
  750    HB2  ASP 123           HB2      ASP 123  -6.109  21.258   3.333
  751    HB3  ASP 123           HB1      ASP 123  -5.925  22.695   4.357
  752    H    LEU 124           HN       LEU 124  -4.469  18.708   4.229
  753    HA   LEU 124           HA       LEU 124  -2.740  18.758   1.937
  754    HB2  LEU 124           HB2      LEU 124  -1.920  16.498   2.897
  755    HB3  LEU 124           HB1      LEU 124  -1.241  17.993   3.493
  756    HG   LEU 124           HG       LEU 124  -1.600  16.317   5.224
  757   HD11  LEU 124          HD11      LEU 124  -1.519  18.540   5.974
  758   HD12  LEU 124          HD12      LEU 124  -2.715  17.649   6.919
  759   HD13  LEU 124          HD13      LEU 124  -3.234  18.758   5.655
  760   HD21  LEU 124          HD21      LEU 124  -3.921  15.855   6.008
  761   HD22  LEU 124          HD22      LEU 124  -3.451  15.136   4.474
  762   HD23  LEU 124          HD23      LEU 124  -4.473  16.573   4.483
  763    H    VAL 125           HN       VAL 125  -5.465  18.760   1.945
  764    HA   VAL 125           HA       VAL 125  -6.443  16.088   1.675
  765    HB   VAL 125           HB       VAL 125  -7.818  18.752   1.159
  766   HG11  VAL 125          HG11      VAL 125  -9.946  17.548   1.216
  767   HG12  VAL 125          HG12      VAL 125  -9.086  16.023   1.422
  768   HG13  VAL 125          HG13      VAL 125  -8.923  16.923  -0.085
  769   HG21  VAL 125          HG21      VAL 125  -8.907  18.328   3.321
  770   HG22  VAL 125          HG22      VAL 125  -7.144  18.430   3.460
  771   HG23  VAL 125          HG23      VAL 125  -7.941  16.859   3.485
  772    H    ASP 126           HN       ASP 126  -4.858  18.265  -0.311
  773    HA   ASP 126           HA       ASP 126  -6.043  17.567  -2.865
  774    HB2  ASP 126           HB2      ASP 126  -5.073  19.791  -2.517
  775    HB3  ASP 126           HB1      ASP 126  -3.512  19.069  -2.183
  776    H    THR 127           HN       THR 127  -3.853  16.169  -0.848
  777    HA   THR 127           HA       THR 127  -2.687  14.510  -2.962
  778    HB   THR 127           HB       THR 127  -0.931  15.973  -2.227
  779    HG1  THR 127           HG1      THR 127  -0.143  13.930  -0.575
  780   HG21  THR 127          HG21      THR 127  -1.870  16.844  -0.198
  781   HG22  THR 127          HG22      THR 127  -0.284  16.116   0.212
  782   HG23  THR 127          HG23      THR 127  -1.779  15.259   0.545
  783    H    CYS 128           HN       CYS 128  -1.674  12.493  -1.656
  784    HA   CYS 128           HA       CYS 128  -3.644  11.674   0.338
  785    HB2  CYS 128           HB2      CYS 128  -2.520   9.485  -1.286
  786    HB3  CYS 128           HB1      CYS 128  -4.076   9.729  -0.618
  787    H    ALA 129           HN       ALA 129  -2.477   9.186   1.031
  788    HA   ALA 129           HA       ALA 129   0.158  10.112   1.912
  789    HB1  ALA 129           HB1      ALA 129  -0.158   8.680   3.825
  790    HB2  ALA 129           HB2      ALA 129  -1.608   7.991   3.162
  791    HB3  ALA 129           HB3      ALA 129  -1.596   9.691   3.684
  792    H    PHE 130           HN       PHE 130   1.768   9.069   0.832
  793    HA   PHE 130           HA       PHE 130   1.268   6.262   0.352
  794    HB2  PHE 130           HB2      PHE 130   2.881   7.987  -1.564
  795    HB3  PHE 130           HB1      PHE 130   2.652   6.326  -1.545
  796    HD1  PHE 130           HD1      PHE 130  -0.199   8.744  -1.279
  797    HD2  PHE 130           HD2      PHE 130   1.815   5.791  -3.576
  798    HE1  PHE 130           HE1      PHE 130  -2.037   8.738  -2.954
  799    HE2  PHE 130           HE2      PHE 130  -0.016   5.798  -5.203
  800    HZ   PHE 130           HZ       PHE 130  -1.934   7.286  -4.888
  801    H    LEU 131           HN       LEU 131   2.751   5.149   1.130
  802    HA   LEU 131           HA       LEU 131   5.225   6.171   2.172
  803    HB2  LEU 131           HB2      LEU 131   4.338   4.360   3.226
  804    HB3  LEU 131           HB1      LEU 131   4.055   3.487   1.729
  805    HG   LEU 131           HG       LEU 131   6.480   3.230   1.549
  806   HD11  LEU 131          HD11      LEU 131   7.281   5.041   2.807
  807   HD12  LEU 131          HD12      LEU 131   7.774   3.509   3.582
  808   HD13  LEU 131          HD13      LEU 131   6.444   4.439   4.239
  809   HD21  LEU 131          HD21      LEU 131   6.631   1.503   3.170
  810   HD22  LEU 131          HD22      LEU 131   4.978   1.555   2.491
  811   HD23  LEU 131          HD23      LEU 131   5.309   2.241   4.086
  812    H    HIS 132           HN       HIS 132   6.974   6.541   1.179
  813    HA   HIS 132           HA       HIS 132   7.369   6.135  -1.658
  814    HB2  HIS 132           HB2      HIS 132   8.251   8.027  -0.079
  815    HB3  HIS 132           HB1      HIS 132   9.473   6.873   0.337
  816    HD1  HIS 132           HD1      HIS 132  10.691   9.212  -0.698
  817    HD2  HIS 132           HD2      HIS 132   9.184   6.379  -3.308
  818    HE1  HIS 132           HE1      HIS 132  11.884   9.598  -2.811
  819    HE2  HIS 132           HE2      HIS 132  10.568   8.229  -4.445
  820    H    ILE 133           HN       ILE 133   8.011   4.397  -2.535
  821    HA   ILE 133           HA       ILE 133   8.912   2.113  -1.238
  822    HB   ILE 133           HB       ILE 133   8.492   3.054  -3.977
  823   HG12  ILE 133          HG12      ILE 133   6.624   1.883  -3.046
  824   HG13  ILE 133          HG11      ILE 133   7.371   0.826  -4.178
  825   HG21  ILE 133          HG21      ILE 133  10.358   0.781  -3.539
  826   HG22  ILE 133          HG22      ILE 133  10.621   2.229  -4.505
  827   HG23  ILE 133          HG23      ILE 133   9.484   0.986  -5.037
  828   HD11  ILE 133          HD11      ILE 133   6.768  -0.386  -2.263
  829   HD12  ILE 133          HD12      ILE 133   7.545   0.795  -1.231
  830   HD13  ILE 133          HD13      ILE 133   8.541  -0.263  -2.259
  831    H    LYS 134           HN       LYS 134  10.515   4.785  -2.462
  832    HA   LYS 134           HA       LYS 134  13.057   3.418  -2.750
  833    HB2  LYS 134           HB2      LYS 134  12.397   6.324  -3.000
  834    HB3  LYS 134           HB1      LYS 134  14.000   5.647  -3.274
  835    HG2  LYS 134           HG2      LYS 134  13.117   4.307  -5.146
  836    HG3  LYS 134           HG1      LYS 134  11.507   4.924  -4.784
  837    HD2  LYS 134           HD2      LYS 134  12.457   6.070  -6.705
  838    HD3  LYS 134           HD1      LYS 134  12.185   7.162  -5.345
  839    HE2  LYS 134           HE2      LYS 134  14.476   6.840  -4.707
  840    HE3  LYS 134           HE1      LYS 134  14.798   5.936  -6.185
  841    HZ1  LYS 134           HZ1      LYS 134  15.436   8.274  -6.465
  842    HZ2  LYS 134           HZ2      LYS 134  13.893   8.780  -6.050
  843    HZ3  LYS 134           HZ3      LYS 134  14.127   7.921  -7.479
  844    H    THR 135           HN       THR 135  11.783   5.864  -0.513
  845    HA   THR 135           HA       THR 135  14.183   5.412   1.096
  846    HB   THR 135           HB       THR 135  13.584   7.607   2.142
  847    HG1  THR 135           HG1      THR 135  12.075   8.796   1.256
  848   HG21  THR 135          HG21      THR 135  15.296   7.434   0.417
  849   HG22  THR 135          HG22      THR 135  14.357   8.918   0.199
  850   HG23  THR 135          HG23      THR 135  14.054   7.519  -0.830
  851    H    GLY 136           HN       GLY 136  10.677   5.493   1.231
  852    HA2  GLY 136           HA2      GLY 136   9.342   4.351   2.795
  853    HA3  GLY 136           HA1      GLY 136  10.768   4.142   3.811
  854    H    GLU 137           HN       GLU 137   9.341   6.891   2.323
  855    HA   GLU 137           HA       GLU 137   8.948   8.151   4.948
  856    HB2  GLU 137           HB2      GLU 137   9.692   9.230   2.283
  857    HB3  GLU 137           HB1      GLU 137   9.126  10.273   3.582
  858    HG2  GLU 137           HG2      GLU 137  11.008   9.680   4.932
  859    HG3  GLU 137           HG1      GLU 137  11.539   8.472   3.758
  860    H    TRP 138           HN       TRP 138   6.992   9.230   5.193
  861    HA   TRP 138           HA       TRP 138   4.974   8.311   3.294
  862    HB2  TRP 138           HB2      TRP 138   4.640   9.312   6.100
  863    HB3  TRP 138           HB1      TRP 138   3.392   8.612   5.075
  864    HD1  TRP 138           HD1      TRP 138   6.018   6.377   4.277
  865    HE1  TRP 138           HE1      TRP 138   6.191   4.449   5.867
  866    HE3  TRP 138           HE3      TRP 138   3.132   8.149   8.010
  867    HZ2  TRP 138           HZ2      TRP 138   5.244   3.674   8.232
  868    HZ3  TRP 138           HZ3      TRP 138   2.776   6.631  10.019
  869    HH2  TRP 138           HH2      TRP 138   3.808   4.442  10.086
  870    H    LYS 139           HN       LYS 139   3.426   9.572   2.651
  871    HA   LYS 139           HA       LYS 139   3.774  12.493   2.791
  872    HB2  LYS 139           HB2      LYS 139   2.848  10.669   0.605
  873    HB3  LYS 139           HB1      LYS 139   2.354  12.356   0.634
  874    HG2  LYS 139           HG2      LYS 139   4.522  13.070   0.677
  875    HG3  LYS 139           HG1      LYS 139   5.171  11.446   0.809
  876    HD2  LYS 139           HD2      LYS 139   3.604  12.581  -1.539
  877    HD3  LYS 139           HD1      LYS 139   5.362  12.436  -1.485
  878    HE2  LYS 139           HE2      LYS 139   5.080   9.990  -1.230
  879    HE3  LYS 139           HE1      LYS 139   3.348  10.207  -1.451
  880    HZ1  LYS 139           HZ1      LYS 139   5.339  11.123  -3.456
  881    HZ2  LYS 139           HZ2      LYS 139   3.676  10.992  -3.678
  882    HZ3  LYS 139           HZ3      LYS 139   4.617   9.621  -3.551
  883    H    LYS 140           HN       LYS 140   2.198  13.631   3.097
  884    HA   LYS 140           HA       LYS 140   0.058  12.511   4.718
  885    HB2  LYS 140           HB2      LYS 140   0.825  15.333   4.086
  886    HB3  LYS 140           HB1      LYS 140  -0.528  14.845   5.083
  887    HG2  LYS 140           HG2      LYS 140   1.069  13.737   6.610
  888    HG3  LYS 140           HG1      LYS 140   2.381  14.420   5.635
  889    HD2  LYS 140           HD2      LYS 140   1.484  16.623   5.982
  890    HD3  LYS 140           HD1      LYS 140   0.203  15.974   6.985
  891    HE2  LYS 140           HE2      LYS 140   1.822  15.080   8.580
  892    HE3  LYS 140           HE1      LYS 140   3.138  15.717   7.606
  893    HZ1  LYS 140           HZ1      LYS 140   1.047  17.397   8.905
  894    HZ2  LYS 140           HZ2      LYS 140   2.428  17.960   8.107
  895    HZ3  LYS 140           HZ3      LYS 140   2.568  17.121   9.532
  896    H    GLY 141           HN       GLY 141  -2.049  12.419   4.092
  897    HA2  GLY 141           HA2      GLY 141  -3.502  14.227   2.763
  898    HA3  GLY 141           HA1      GLY 141  -2.738  13.320   1.479
  899    H    ASN 142           HN       ASN 142  -5.041  13.058   1.094
  900    HA   ASN 142           HA       ASN 142  -5.870  10.462   2.062
  901    HB2  ASN 142           HB2      ASN 142  -8.292  11.286   1.923
  902    HB3  ASN 142           HB1      ASN 142  -7.387  11.746   3.350
  903   HD21  ASN 142          HD21      ASN 142  -7.110  13.359   0.180
  904   HD22  ASN 142          HD22      ASN 142  -7.875  14.809   0.673
  905    H    CYS 143           HN       CYS 143  -6.559   9.153   0.363
  906    HA   CYS 143           HA       CYS 143  -6.129  10.470  -2.124
  907    HB2  CYS 143           HB2      CYS 143  -5.433   7.925  -1.297
  908    HB3  CYS 143           HB1      CYS 143  -6.617   7.705  -2.595
  909    H    GLU 144           HN       GLU 144  -7.865  11.588  -1.902
  910    HA   GLU 144           HA       GLU 144 -10.400  10.375  -2.629
  911    HB2  GLU 144           HB2      GLU 144  -9.657  13.269  -2.155
  912    HB3  GLU 144           HB1      GLU 144 -11.289  12.638  -2.319
  913    HG2  GLU 144           HG2      GLU 144  -9.413  11.780  -0.114
  914    HG3  GLU 144           HG1      GLU 144 -10.570  13.108   0.062
  915    H    VAL 145           HN       VAL 145  -8.142  10.328  -4.305
  916    HA   VAL 145           HA       VAL 145  -9.105  11.764  -6.673
  917    HB   VAL 145           HB       VAL 145  -6.879  11.846  -7.584
  918   HG11  VAL 145          HG11      VAL 145  -7.510  13.658  -6.220
  919   HG12  VAL 145          HG12      VAL 145  -5.778  13.351  -5.993
  920   HG13  VAL 145          HG13      VAL 145  -6.954  12.826  -4.768
  921   HG21  VAL 145          HG21      VAL 145  -5.913  10.438  -5.079
  922   HG22  VAL 145          HG22      VAL 145  -4.873  11.131  -6.322
  923   HG23  VAL 145          HG23      VAL 145  -5.924   9.777  -6.716
  924    H    SER 146           HN       SER 146  -8.999  10.659  -8.588
  925    HA   SER 146           HA       SER 146  -9.567   7.881  -8.261
  926    HB2  SER 146           HB2      SER 146  -9.669   9.647 -10.632
  927    HB3  SER 146           HB1      SER 146 -10.288   7.978 -10.562
  928    HG   SER 146           HG       SER 146 -11.175   9.395  -8.467
  929    H    SER 147           HN       SER 147  -6.773   9.487  -8.764
  930    HA   SER 147           HA       SER 147  -5.657   7.899 -10.835
  931    HB2  SER 147           HB2      SER 147  -4.337   9.793  -8.948
  932    HB3  SER 147           HB1      SER 147  -3.639   9.188 -10.454
  933    HG   SER 147           HG       SER 147  -5.960  10.135 -11.125
  934    H    VAL 148           HN       VAL 148  -6.504   6.494  -8.314
  935    HA   VAL 148           HA       VAL 148  -3.870   5.418  -7.603
  936    HB   VAL 148           HB       VAL 148  -6.341   4.499  -6.083
  937   HG11  VAL 148          HG11      VAL 148  -3.470   4.547  -5.402
  938   HG12  VAL 148          HG12      VAL 148  -4.415   3.174  -5.977
  939   HG13  VAL 148          HG13      VAL 148  -4.812   3.916  -4.440
  940   HG21  VAL 148          HG21      VAL 148  -5.892   6.197  -4.437
  941   HG22  VAL 148          HG22      VAL 148  -6.247   6.983  -5.977
  942   HG23  VAL 148          HG23      VAL 148  -4.579   6.850  -5.415
  943    H    GLU 149           HN       GLU 149  -3.266   3.605  -8.175
  944    HA   GLU 149           HA       GLU 149  -5.096   1.853  -9.613
  945    HB2  GLU 149           HB2      GLU 149  -2.333   2.580 -10.569
  946    HB3  GLU 149           HB1      GLU 149  -3.374   1.291 -11.189
  947    HG2  GLU 149           HG2      GLU 149  -4.985   2.807 -11.935
  948    HG3  GLU 149           HG1      GLU 149  -4.186   4.171 -11.174
  949    H    GLY 150           HN       GLY 150  -3.477   1.948  -6.959
  950    HA2  GLY 150           HA2      GLY 150  -3.420  -0.848  -6.739
  951    HA3  GLY 150           HA1      GLY 150  -1.787  -0.228  -6.972
  952    H    THR 151           HN       THR 151  -3.370  -1.478  -4.716
  953    HA   THR 151           HA       THR 151  -2.313   0.335  -2.725
  954    HB   THR 151           HB       THR 151  -4.642   0.877  -2.618
  955    HG1  THR 151           HG1      THR 151  -4.602  -1.023  -0.609
  956   HG21  THR 151          HG21      THR 151  -5.566  -1.027  -3.867
  957   HG22  THR 151          HG22      THR 151  -6.397  -0.814  -2.323
  958   HG23  THR 151          HG23      THR 151  -5.200  -2.090  -2.508
  959    H    LEU 152           HN       LEU 152  -1.725  -0.685  -0.804
  960    HA   LEU 152           HA       LEU 152  -1.279  -3.550  -1.119
  961    HB2  LEU 152           HB2      LEU 152   0.660  -2.052  -0.423
  962    HB3  LEU 152           HB1      LEU 152  -0.208  -1.771   1.053
  963    HG   LEU 152           HG       LEU 152  -0.482  -4.244   1.243
  964   HD11  LEU 152          HD11      LEU 152   1.331  -5.623   0.530
  965   HD12  LEU 152          HD12      LEU 152   2.003  -4.292  -0.395
  966   HD13  LEU 152          HD13      LEU 152   0.416  -4.981  -0.839
  967   HD21  LEU 152          HD21      LEU 152   1.846  -2.683   1.943
  968   HD22  LEU 152          HD22      LEU 152   1.888  -4.441   2.110
  969   HD23  LEU 152          HD23      LEU 152   0.601  -3.537   2.924
  970    H    CYS 153           HN       CYS 153  -2.222  -4.908   0.116
  971    HA   CYS 153           HA       CYS 153  -4.204  -3.839   1.971
  972    HB2  CYS 153           HB2      CYS 153  -4.165  -6.552   0.746
  973    HB3  CYS 153           HB1      CYS 153  -5.474  -5.715   1.530
  974    H    LYS 154           HN       LYS 154  -4.356  -4.659   3.904
  975    HA   LYS 154           HA       LYS 154  -2.450  -6.671   4.739
  976    HB2  LYS 154           HB2      LYS 154  -1.488  -4.593   5.424
  977    HB3  LYS 154           HB1      LYS 154  -3.030  -4.005   6.045
  978    HG2  LYS 154           HG2      LYS 154  -2.970  -5.772   7.737
  979    HG3  LYS 154           HG1      LYS 154  -1.400  -6.286   7.128
  980    HD2  LYS 154           HD2      LYS 154  -0.447  -4.118   7.722
  981    HD3  LYS 154           HD1      LYS 154  -2.033  -3.532   8.228
  982    HE2  LYS 154           HE2      LYS 154  -0.638  -5.892   9.419
  983    HE3  LYS 154           HE1      LYS 154  -0.545  -4.262  10.121
  984    HZ1  LYS 154           HZ1      LYS 154  -3.032  -4.403  10.418
  985    HZ2  LYS 154           HZ2      LYS 154  -2.230  -5.604  11.250
  986    HZ3  LYS 154           HZ3      LYS 154  -2.983  -5.956   9.787
  987    H    THR 155           HN       THR 155  -3.411  -8.139   5.977
  988    HA   THR 155           HA       THR 155  -5.846  -7.509   7.381
  989    HB   THR 155           HB       THR 155  -6.439  -8.658   5.150
  990    HG1  THR 155           HG1      THR 155  -8.002  -9.833   6.075
  991   HG21  THR 155          HG21      THR 155  -6.044 -11.135   5.038
  992   HG22  THR 155          HG22      THR 155  -4.995 -10.947   6.469
  993   HG23  THR 155          HG23      THR 155  -4.564 -10.164   4.969
  994    H    ALA 156           HN       ALA 156  -5.792  -8.651   9.338
  995    HA   ALA 156           HA       ALA 156  -3.154  -9.773   9.776
  996    HB1  ALA 156           HB1      ALA 156  -3.944  -8.091  11.396
  997    HB2  ALA 156           HB2      ALA 156  -3.657  -9.700  12.120
  998    HB3  ALA 156           HB3      ALA 156  -5.292  -9.192  11.765
  999    H    ILE 157           HN       ILE 157  -2.794 -11.752  10.662
 1000    HA   ILE 157           HA       ILE 157  -5.037 -13.468  10.325
 1001    HB   ILE 157           HB       ILE 157  -3.374 -15.288  10.816
 1002   HG12  ILE 157          HG12      ILE 157  -1.464 -13.123  10.111
 1003   HG13  ILE 157          HG11      ILE 157  -1.711 -13.700  11.757
 1004   HG21  ILE 157          HG21      ILE 157  -3.079 -13.591   8.343
 1005   HG22  ILE 157          HG22      ILE 157  -4.316 -14.819   8.619
 1006   HG23  ILE 157          HG23      ILE 157  -2.631 -15.297   8.480
 1007   HD11  ILE 157          HD11      ILE 157  -1.225 -15.856  11.057
 1008   HD12  ILE 157          HD12      ILE 157   0.165 -14.739  10.744
 1009   HD13  ILE 157          HD13      ILE 157  -0.945 -15.271   9.420
 1010    HA   PRO 158           HA       PRO 158  -5.630 -13.271  14.720
 1011    HB2  PRO 158           HB2      PRO 158  -8.059 -14.564  14.601
 1012    HB3  PRO 158           HB1      PRO 158  -7.816 -12.837  14.282
 1013    HG2  PRO 158           HG2      PRO 158  -8.389 -14.965  12.408
 1014    HG3  PRO 158           HG1      PRO 158  -8.600 -13.217  12.235
 1015    HD2  PRO 158           HD2      PRO 158  -6.459 -14.779  11.119
 1016    HD3  PRO 158           HD1      PRO 158  -6.584 -13.065  11.078
 1017    H    TYR 159           HN       TYR 159  -4.851 -15.624  12.918
 1018    HA   TYR 159           HA       TYR 159  -5.277 -18.007  14.392
 1019    HB2  TYR 159           HB2      TYR 159  -3.148 -17.270  12.394
 1020    HB3  TYR 159           HB1      TYR 159  -3.260 -18.908  13.073
 1021    HD1  TYR 159           HD1      TYR 159  -4.975 -16.292  11.232
 1022    HD2  TYR 159           HD2      TYR 159  -4.658 -20.436  11.914
 1023    HE1  TYR 159           HE1      TYR 159  -6.354 -16.653   9.332
 1024    HE2  TYR 159           HE2      TYR 159  -6.115 -20.873   9.970
 1025    HH   TYR 159           HH       TYR 159  -6.885 -18.354   7.750
 1026    H    LYS 160           HN       LYS 160  -2.976 -15.451  14.474
 1027    HA   LYS 160           HA       LYS 160  -1.433 -16.677  16.651
 1028    HB2  LYS 160           HB2      LYS 160  -0.796 -14.312  14.874
 1029    HB3  LYS 160           HB1      LYS 160   0.258 -14.936  16.138
 1030    HG2  LYS 160           HG2      LYS 160   0.418 -17.021  14.887
 1031    HG3  LYS 160           HG1      LYS 160  -0.581 -16.326  13.606
 1032    HD2  LYS 160           HD2      LYS 160   1.107 -14.525  13.334
 1033    HD3  LYS 160           HD1      LYS 160   2.116 -15.319  14.538
 1034    HE2  LYS 160           HE2      LYS 160   1.260 -16.490  11.884
 1035    HE3  LYS 160           HE1      LYS 160   2.850 -15.831  12.258
 1036    HZ1  LYS 160           HZ1      LYS 160   2.850 -18.217  12.377
 1037    HZ2  LYS 160           HZ2      LYS 160   1.595 -18.225  13.482
 1038    HZ3  LYS 160           HZ3      LYS 160   3.102 -17.601  13.934
 1039    H    ARG 161           HN       ARG 161  -4.135 -15.387  16.853
 1040    HA   ARG 161           HA       ARG 161  -3.386 -13.209  18.668
 1041    HB2  ARG 161           HB2      ARG 161  -4.692 -12.399  16.689
 1042    HB3  ARG 161           HB1      ARG 161  -5.993 -13.488  17.134
 1043    HG2  ARG 161           HG2      ARG 161  -6.397 -12.254  19.172
 1044    HG3  ARG 161           HG1      ARG 161  -4.996 -11.226  18.872
 1045    HD2  ARG 161           HD2      ARG 161  -6.071 -10.455  16.781
 1046    HD3  ARG 161           HD1      ARG 161  -7.502 -11.394  17.196
 1047    HE   ARG 161           HE       ARG 161  -7.317  -9.867  19.343
 1048   HH11  ARG 161          HH11      ARG 161  -6.878  -8.882  15.954
 1049   HH12  ARG 161          HH12      ARG 161  -7.460  -7.300  16.205
 1050   HH21  ARG 161          HH21      ARG 161  -8.119  -7.680  19.641
 1051   HH22  ARG 161          HH22      ARG 161  -8.191  -6.623  18.305
  Start of MODEL    8
    1    H1   MET  22           HT1      MET  22  -1.605 -22.940   4.567
    2    H2   MET  22           HT2      MET  22  -0.868 -21.653   5.311
    3    H3   MET  22           HT3      MET  22  -2.060 -21.383   4.150
    4    HA   MET  22           HA       MET  22  -3.724 -22.404   5.504
    5    HB2  MET  22           HB2      MET  22  -3.305 -23.063   7.790
    6    HB3  MET  22           HB1      MET  22  -2.219 -23.941   6.726
    7    HG2  MET  22           HG2      MET  22  -0.377 -22.484   7.356
    8    HG3  MET  22           HG1      MET  22  -1.459 -21.523   8.359
    9    HE1  MET  22           HE1      MET  22  -2.369 -24.049  11.229
   10    HE2  MET  22           HE2      MET  22  -3.275 -23.811   9.740
   11    HE3  MET  22           HE3      MET  22  -2.600 -22.421  10.593
   12    H    ASP  23           HN       ASP  23  -1.417 -19.848   5.779
   13    HA   ASP  23           HA       ASP  23  -2.997 -18.476   7.819
   14    HB2  ASP  23           HB2      ASP  23  -0.509 -17.404   6.473
   15    HB3  ASP  23           HB1      ASP  23  -1.254 -16.888   7.954
   16    H    CYS  24           HN       CYS  24  -1.626 -17.873   4.746
   17    HA   CYS  24           HA       CYS  24  -3.471 -15.697   4.272
   18    HB2  CYS  24           HB2      CYS  24  -0.967 -16.568   2.863
   19    HB3  CYS  24           HB1      CYS  24  -1.948 -15.153   2.490
   20    HA   PRO  25           HA       PRO  25  -6.183 -17.847   1.427
   21    HB2  PRO  25           HB2      PRO  25  -5.656 -15.464  -0.291
   22    HB3  PRO  25           HB1      PRO  25  -7.212 -16.198   0.147
   23    HG2  PRO  25           HG2      PRO  25  -6.513 -14.006   1.339
   24    HG3  PRO  25           HG1      PRO  25  -7.162 -15.347   2.309
   25    HD2  PRO  25           HD2      PRO  25  -4.341 -14.433   2.034
   26    HD3  PRO  25           HD1      PRO  25  -5.221 -15.011   3.466
   27    H    SER  26           HN       SER  26  -3.499 -16.194  -0.265
   28    HA   SER  26           HA       SER  26  -2.982 -18.649  -1.741
   29    HB2  SER  26           HB2      SER  26  -3.336 -15.944  -3.075
   30    HB3  SER  26           HB1      SER  26  -2.961 -17.469  -3.880
   31    HG   SER  26           HG       SER  26  -5.023 -18.179  -2.784
   32    H    SER  27           HN       SER  27  -0.795 -18.356  -2.963
   33    HA   SER  27           HA       SER  27   1.066 -17.408  -1.064
   34    HB2  SER  27           HB2      SER  27   1.462 -18.510  -3.814
   35    HB3  SER  27           HB1      SER  27   2.748 -18.288  -2.620
   36    HG   SER  27           HG       SER  27   1.594 -19.689  -1.243
   37    H    THR  28           HN       THR  28  -0.590 -15.650  -3.334
   38    HA   THR  28           HA       THR  28   1.453 -13.801  -4.078
   39    HB   THR  28           HB       THR  28  -1.503 -13.222  -3.831
   40    HG1  THR  28           HG1      THR  28  -0.133 -14.619  -5.906
   41   HG21  THR  28          HG21      THR  28  -1.066 -11.768  -5.752
   42   HG22  THR  28          HG22      THR  28   0.606 -12.318  -5.810
   43   HG23  THR  28          HG23      THR  28   0.041 -11.384  -4.441
   44    H    TRP  29           HN       TRP  29  -0.278 -14.555  -1.276
   45    HA   TRP  29           HA       TRP  29  -0.272 -11.931  -0.102
   46    HB2  TRP  29           HB2      TRP  29  -1.294 -14.620   0.740
   47    HB3  TRP  29           HB1      TRP  29  -1.344 -13.202   1.780
   48    HD1  TRP  29           HD1      TRP  29  -2.725 -14.450  -1.529
   49    HE1  TRP  29           HE1      TRP  29  -5.031 -13.299  -1.933
   50    HE3  TRP  29           HE3      TRP  29  -2.699 -11.512   2.400
   51    HZ2  TRP  29           HZ2      TRP  29  -6.559 -11.310  -0.670
   52    HZ3  TRP  29           HZ3      TRP  29  -4.713  -9.911   2.803
   53    HH2  TRP  29           HH2      TRP  29  -6.535  -9.903   1.281
   54    H    ILE  30           HN       ILE  30   1.106 -11.335   1.348
   55    HA   ILE  30           HA       ILE  30   3.314 -13.118   2.087
   56    HB   ILE  30           HB       ILE  30   3.188 -10.132   1.596
   57   HG12  ILE  30          HG12      ILE  30   4.553 -12.420   0.181
   58   HG13  ILE  30          HG11      ILE  30   3.153 -11.562  -0.391
   59   HG21  ILE  30          HG21      ILE  30   5.562 -10.035   2.024
   60   HG22  ILE  30          HG22      ILE  30   5.610 -11.755   2.431
   61   HG23  ILE  30          HG23      ILE  30   4.729 -10.620   3.462
   62   HD11  ILE  30          HD11      ILE  30   5.078 -10.842  -1.528
   63   HD12  ILE  30          HD12      ILE  30   5.887 -10.470  -0.001
   64   HD13  ILE  30          HD13      ILE  30   4.461  -9.541  -0.510
   65    H    GLN  31           HN       GLN  31   3.252 -13.720   4.125
   66    HA   GLN  31           HA       GLN  31   1.700 -12.331   6.136
   67    HB2  GLN  31           HB2      GLN  31   1.678 -14.760   6.012
   68    HB3  GLN  31           HB1      GLN  31   3.416 -14.808   6.225
   69    HG2  GLN  31           HG2      GLN  31   3.092 -13.780   8.477
   70    HG3  GLN  31           HG1      GLN  31   1.353 -13.968   8.247
   71   HE21  GLN  31          HE21      GLN  31   1.206 -15.396   9.973
   72   HE22  GLN  31          HE22      GLN  31   1.739 -17.022   9.821
   73    H    PHE  32           HN       PHE  32   2.391 -10.946   7.537
   74    HA   PHE  32           HA       PHE  32   5.089 -10.992   8.524
   75    HB2  PHE  32           HB2      PHE  32   5.154  -9.633   6.474
   76    HB3  PHE  32           HB1      PHE  32   3.883  -8.629   7.120
   77    HD1  PHE  32           HD2      PHE  32   7.401  -9.611   7.513
   78    HD2  PHE  32           HD1      PHE  32   4.321  -6.936   8.606
   79    HE1  PHE  32           HE2      PHE  32   9.089  -8.092   8.468
   80    HE2  PHE  32           HE1      PHE  32   5.999  -5.392   9.573
   81    HZ   PHE  32           HZ       PHE  32   8.404  -5.991   9.468
   82    H    GLN  33           HN       GLN  33   4.857 -10.736  10.642
   83    HA   GLN  33           HA       GLN  33   4.032 -10.390  12.666
   84    HB2  GLN  33           HB2      GLN  33   3.626  -7.660  11.463
   85    HB3  GLN  33           HB1      GLN  33   3.409  -7.979  13.182
   86    HG2  GLN  33           HG2      GLN  33   5.719  -8.697  13.360
   87    HG3  GLN  33           HG1      GLN  33   5.940  -8.480  11.629
   88   HE21  GLN  33          HE21      GLN  33   7.621  -7.065  12.001
   89   HE22  GLN  33          HE22      GLN  33   7.376  -5.451  12.569
   90    H    ASP  34           HN       ASP  34   2.492 -11.949  11.919
   91    HA   ASP  34           HA       ASP  34   0.466 -12.925  11.839
   92    HB2  ASP  34           HB2      ASP  34  -0.184 -10.864  13.946
   93    HB3  ASP  34           HB1      ASP  34  -1.151 -12.283  13.600
   94    H    SER  35           HN       SER  35   0.865 -10.671  10.026
   95    HA   SER  35           HA       SER  35  -1.953 -10.347   9.346
   96    HB2  SER  35           HB2      SER  35   0.237  -8.393   8.773
   97    HB3  SER  35           HB1      SER  35  -1.423  -8.174   8.403
   98    HG   SER  35           HG       SER  35  -0.392  -8.474  11.046
   99    H    CYS  36           HN       CYS  36  -2.149  -9.961   6.986
  100    HA   CYS  36           HA       CYS  36   0.114 -10.961   5.388
  101    HB2  CYS  36           HB2      CYS  36  -1.831 -12.714   5.933
  102    HB3  CYS  36           HB1      CYS  36  -2.653 -11.741   4.714
  103    H    TYR  37           HN       TYR  37   0.368 -10.307   3.578
  104    HA   TYR  37           HA       TYR  37  -0.898  -7.744   2.969
  105    HB2  TYR  37           HB2      TYR  37   1.852  -8.780   3.043
  106    HB3  TYR  37           HB1      TYR  37   1.538  -7.322   2.218
  107    HD1  TYR  37           HD1      TYR  37   1.692  -8.984   5.196
  108    HD2  TYR  37           HD2      TYR  37   0.842  -5.416   3.405
  109    HE1  TYR  37           HE1      TYR  37   1.927  -7.994   7.393
  110    HE2  TYR  37           HE2      TYR  37   1.030  -4.194   5.588
  111    HH   TYR  37           HH       TYR  37   2.539  -5.003   7.754
  112    H    ILE  38           HN       ILE  38  -1.333  -7.311   0.910
  113    HA   ILE  38           HA       ILE  38  -0.071  -8.770  -1.211
  114    HB   ILE  38           HB       ILE  38  -2.010 -10.206  -0.749
  115   HG12  ILE  38          HG12      ILE  38  -2.327  -8.653  -3.333
  116   HG13  ILE  38          HG11      ILE  38  -1.184  -9.960  -3.065
  117   HG21  ILE  38          HG21      ILE  38  -3.496  -8.618   0.248
  118   HG22  ILE  38          HG22      ILE  38  -4.293  -9.372  -1.133
  119   HG23  ILE  38          HG23      ILE  38  -3.640  -7.738  -1.271
  120   HD11  ILE  38          HD11      ILE  38  -4.176 -10.199  -2.967
  121   HD12  ILE  38          HD12      ILE  38  -3.010 -11.498  -2.705
  122   HD13  ILE  38          HD13      ILE  38  -3.125 -10.727  -4.292
  123    H    PHE  39           HN       PHE  39   0.253  -7.527  -3.002
  124    HA   PHE  39           HA       PHE  39  -1.027  -4.867  -2.957
  125    HB2  PHE  39           HB2      PHE  39   1.616  -5.440  -3.471
  126    HB3  PHE  39           HB1      PHE  39   0.901  -5.550  -5.013
  127    HD1  PHE  39           HD1      PHE  39   0.591  -3.191  -2.207
  128    HD2  PHE  39           HD2      PHE  39   0.998  -3.766  -6.352
  129    HE1  PHE  39           HE1      PHE  39   0.617  -0.759  -2.519
  130    HE2  PHE  39           HE2      PHE  39   1.021  -1.317  -6.684
  131    HZ   PHE  39           HZ       PHE  39   0.824   0.177  -4.777
  132    H    LEU  40           HN       LEU  40  -2.628  -4.651  -4.314
  133    HA   LEU  40           HA       LEU  40  -2.272  -6.177  -6.589
  134    HB2  LEU  40           HB2      LEU  40  -4.914  -5.982  -6.700
  135    HB3  LEU  40           HB1      LEU  40  -4.093  -7.376  -6.027
  136    HG   LEU  40           HG       LEU  40  -6.022  -6.796  -4.711
  137   HD11  LEU  40          HD11      LEU  40  -5.040  -6.474  -2.490
  138   HD12  LEU  40          HD12      LEU  40  -3.512  -6.092  -3.286
  139   HD13  LEU  40          HD13      LEU  40  -4.191  -7.685  -3.457
  140   HD21  LEU  40          HD21      LEU  40  -6.259  -4.435  -5.269
  141   HD22  LEU  40          HD22      LEU  40  -4.824  -4.054  -4.321
  142   HD23  LEU  40          HD23      LEU  40  -6.271  -4.669  -3.522
  143    H    GLN  41           HN       GLN  41  -1.478  -4.732  -7.837
  144    HA   GLN  41           HA       GLN  41  -2.589  -2.161  -7.966
  145    HB2  GLN  41           HB2      GLN  41  -0.908  -3.580 -10.031
  146    HB3  GLN  41           HB1      GLN  41  -1.460  -1.918 -10.208
  147    HG2  GLN  41           HG2      GLN  41  -0.423  -1.334  -8.121
  148    HG3  GLN  41           HG1      GLN  41   0.151  -2.990  -7.944
  149   HE21  GLN  41          HE21      GLN  41   2.319  -2.273  -7.801
  150   HE22  GLN  41          HE22      GLN  41   3.081  -1.654  -9.230
  151    H    GLU  42           HN       GLU  42  -4.647  -2.186  -8.063
  152    HA   GLU  42           HA       GLU  42  -6.067  -3.171 -10.441
  153    HB2  GLU  42           HB2      GLU  42  -6.981  -2.490  -7.668
  154    HB3  GLU  42           HB1      GLU  42  -8.098  -2.847  -8.960
  155    HG2  GLU  42           HG2      GLU  42  -6.015  -4.796  -7.959
  156    HG3  GLU  42           HG1      GLU  42  -7.674  -4.774  -7.380
  157    H    ALA  43           HN       ALA  43  -6.254  -1.543 -11.780
  158    HA   ALA  43           HA       ALA  43  -6.300   1.229 -10.909
  159    HB1  ALA  43           HB1      ALA  43  -6.759   0.012 -13.637
  160    HB2  ALA  43           HB2      ALA  43  -5.225   0.628 -13.024
  161    HB3  ALA  43           HB3      ALA  43  -6.577   1.730 -13.287
  162    H    ILE  44           HN       ILE  44  -8.108   2.129 -10.150
  163    HA   ILE  44           HA       ILE  44 -10.663   1.406 -11.297
  164    HB   ILE  44           HB       ILE  44 -11.814   1.114  -9.202
  165   HG12  ILE  44          HG12      ILE  44  -9.191   1.137  -7.742
  166   HG13  ILE  44          HG11      ILE  44 -10.251   2.541  -7.858
  167   HG21  ILE  44          HG21      ILE  44 -10.953  -1.061  -8.449
  168   HG22  ILE  44          HG22      ILE  44  -9.470  -0.767  -9.342
  169   HG23  ILE  44          HG23      ILE  44 -10.992  -0.921 -10.201
  170   HD11  ILE  44          HD11      ILE  44 -10.593   1.355  -5.772
  171   HD12  ILE  44          HD12      ILE  44 -10.974  -0.120  -6.666
  172   HD13  ILE  44          HD13      ILE  44 -12.031   1.287  -6.793
  173    H    LYS  45           HN       LYS  45 -12.352   2.934 -10.757
  174    HA   LYS  45           HA       LYS  45 -11.409   5.549 -10.696
  175    HB2  LYS  45           HB2      LYS  45 -13.455   4.897 -11.858
  176    HB3  LYS  45           HB1      LYS  45 -14.180   4.405 -10.332
  177    HG2  LYS  45           HG2      LYS  45 -15.036   6.569 -11.035
  178    HG3  LYS  45           HG1      LYS  45 -14.079   6.704  -9.551
  179    HD2  LYS  45           HD2      LYS  45 -12.170   7.433 -10.819
  180    HD3  LYS  45           HD1      LYS  45 -13.069   7.286 -12.327
  181    HE2  LYS  45           HE2      LYS  45 -14.578   8.945 -11.643
  182    HE3  LYS  45           HE1      LYS  45 -13.841   9.091 -10.046
  183    HZ1  LYS  45           HZ1      LYS  45 -12.507   9.758 -12.633
  184    HZ2  LYS  45           HZ2      LYS  45 -11.842   9.895 -11.080
  185    HZ3  LYS  45           HZ3      LYS  45 -13.128  10.872 -11.519
  186    H    VAL  46           HN       VAL  46 -10.536   6.286  -8.897
  187    HA   VAL  46           HA       VAL  46 -11.689   5.538  -6.332
  188    HB   VAL  46           HB       VAL  46  -9.031   6.884  -6.871
  189   HG11  VAL  46          HG11      VAL  46  -8.522   6.437  -4.552
  190   HG12  VAL  46          HG12      VAL  46 -10.116   5.728  -4.324
  191   HG13  VAL  46          HG13      VAL  46  -9.973   7.432  -4.673
  192   HG21  VAL  46          HG21      VAL  46  -8.060   4.708  -6.280
  193   HG22  VAL  46          HG22      VAL  46  -9.078   4.641  -7.731
  194   HG23  VAL  46          HG23      VAL  46  -9.703   4.049  -6.194
  195    H    GLU  47           HN       GLU  47 -13.050   6.798  -5.634
  196    HA   GLU  47           HA       GLU  47 -13.078   9.612  -6.342
  197    HB2  GLU  47           HB2      GLU  47 -15.123   7.791  -5.046
  198    HB3  GLU  47           HB1      GLU  47 -15.250   9.525  -5.326
  199    HG2  GLU  47           HG2      GLU  47 -14.478   7.911  -7.390
  200    HG3  GLU  47           HG1      GLU  47 -16.235   7.837  -7.058
  201    H    SER  48           HN       SER  48 -12.760   7.374  -3.721
  202    HA   SER  48           HA       SER  48 -11.814   9.476  -1.971
  203    HB2  SER  48           HB2      SER  48 -13.926   7.428  -1.368
  204    HB3  SER  48           HB1      SER  48 -12.984   8.335  -0.181
  205    HG   SER  48           HG       SER  48 -13.769  10.218  -1.039
  206    H    ILE  49           HN       ILE  49 -10.539   8.469  -0.221
  207    HA   ILE  49           HA       ILE  49  -9.000   6.420  -1.249
  208    HB   ILE  49           HB       ILE  49  -8.153   8.040   0.362
  209   HG12  ILE  49          HG12      ILE  49  -7.991   5.130   1.105
  210   HG13  ILE  49          HG11      ILE  49  -7.149   5.954   0.040
  211   HG21  ILE  49          HG21      ILE  49 -10.045   6.615   2.059
  212   HG22  ILE  49          HG22      ILE  49  -9.867   8.410   1.844
  213   HG23  ILE  49          HG23      ILE  49  -8.644   7.434   2.747
  214   HD11  ILE  49          HD11      ILE  49  -6.018   7.474   1.495
  215   HD12  ILE  49          HD12      ILE  49  -5.738   5.842   2.085
  216   HD13  ILE  49          HD13      ILE  49  -6.914   6.903   2.880
  217    H    GLU  50           HN       GLU  50 -11.724   6.484   0.552
  218    HA   GLU  50           HA       GLU  50 -12.049   3.873   1.551
  219    HB2  GLU  50           HB2      GLU  50 -14.157   5.529   0.166
  220    HB3  GLU  50           HB1      GLU  50 -14.480   4.156   1.206
  221    HG2  GLU  50           HG2      GLU  50 -13.128   6.672   2.126
  222    HG3  GLU  50           HG1      GLU  50 -14.865   6.391   2.217
  223    H    ASP  51           HN       ASP  51 -12.432   5.112  -1.800
  224    HA   ASP  51           HA       ASP  51 -13.582   2.838  -2.925
  225    HB2  ASP  51           HB2      ASP  51 -12.097   5.198  -3.931
  226    HB3  ASP  51           HB1      ASP  51 -12.537   3.963  -5.021
  227    H    VAL  52           HN       VAL  52 -10.354   3.854  -2.314
  228    HA   VAL  52           HA       VAL  52  -9.267   1.832  -4.048
  229    HB   VAL  52           HB       VAL  52  -8.106   3.910  -4.067
  230   HG11  VAL  52          HG11      VAL  52  -8.984   4.927  -2.503
  231   HG12  VAL  52          HG12      VAL  52  -7.218   5.086  -2.343
  232   HG13  VAL  52          HG13      VAL  52  -8.152   4.034  -1.233
  233   HG21  VAL  52          HG21      VAL  52  -5.834   3.318  -3.134
  234   HG22  VAL  52          HG22      VAL  52  -6.532   2.122  -4.210
  235   HG23  VAL  52          HG23      VAL  52  -6.635   1.887  -2.447
  236    H    ARG  53           HN       ARG  53  -9.785   2.526  -0.785
  237    HA   ARG  53           HA       ARG  53  -8.185   0.510   0.235
  238    HB2  ARG  53           HB2      ARG  53  -8.889   1.622   2.324
  239    HB3  ARG  53           HB1      ARG  53  -9.214   2.718   1.089
  240    HG2  ARG  53           HG2      ARG  53 -10.871   2.788   2.543
  241    HG3  ARG  53           HG1      ARG  53 -11.380   2.003   0.985
  242    HD2  ARG  53           HD2      ARG  53 -11.696  -0.035   2.066
  243    HD3  ARG  53           HD1      ARG  53 -10.271   0.411   3.037
  244    HE   ARG  53           HE       ARG  53 -11.509   1.461   4.562
  245   HH11  ARG  53          HH11      ARG  53 -13.601  -0.085   2.112
  246   HH12  ARG  53          HH12      ARG  53 -15.018   0.047   3.044
  247   HH21  ARG  53          HH21      ARG  53 -13.545   1.616   5.837
  248   HH22  ARG  53          HH22      ARG  53 -14.996   1.031   5.184
  249    H    ASN  54           HN       ASN  54 -11.214   0.694  -1.120
  250    HA   ASN  54           HA       ASN  54 -12.593  -1.626  -0.307
  251    HB2  ASN  54           HB2      ASN  54 -12.593  -0.054  -2.807
  252    HB3  ASN  54           HB1      ASN  54 -13.587  -1.510  -2.699
  253   HD21  ASN  54          HD21      ASN  54 -14.530   1.079  -3.160
  254   HD22  ASN  54          HD22      ASN  54 -15.481   1.600  -1.827
  255    H    GLN  55           HN       GLN  55 -10.005  -1.163  -2.599
  256    HA   GLN  55           HA       GLN  55 -10.228  -3.539  -4.062
  257    HB2  GLN  55           HB2      GLN  55  -7.721  -2.040  -3.315
  258    HB3  GLN  55           HB1      GLN  55  -7.893  -3.192  -4.630
  259    HG2  GLN  55           HG2      GLN  55  -9.496  -1.690  -5.716
  260    HG3  GLN  55           HG1      GLN  55  -9.324  -0.591  -4.377
  261   HE21  GLN  55          HE21      GLN  55  -8.629   1.051  -5.737
  262   HE22  GLN  55          HE22      GLN  55  -7.018   1.082  -6.375
  263    H    CYS  56           HN       CYS  56  -8.886  -2.815  -0.927
  264    HA   CYS  56           HA       CYS  56  -7.680  -5.376  -0.684
  265    HB2  CYS  56           HB2      CYS  56  -7.970  -3.157   1.337
  266    HB3  CYS  56           HB1      CYS  56  -7.128  -4.645   1.472
  267    H    THR  57           HN       THR  57 -10.508  -3.646   0.580
  268    HA   THR  57           HA       THR  57 -11.188  -5.654   2.418
  269    HB   THR  57           HB       THR  57 -13.366  -4.521   2.559
  270    HG1  THR  57           HG1      THR  57 -13.959  -3.081   1.077
  271   HG21  THR  57          HG21      THR  57 -10.976  -2.702   2.434
  272   HG22  THR  57          HG22      THR  57 -11.476  -3.662   3.818
  273   HG23  THR  57          HG23      THR  57 -12.483  -2.309   3.269
  274    H    ASP  58           HN       ASP  58 -11.518  -5.316  -0.831
  275    HA   ASP  58           HA       ASP  58 -13.618  -7.051  -1.573
  276    HB2  ASP  58           HB2      ASP  58 -12.356  -5.493  -3.079
  277    HB3  ASP  58           HB1      ASP  58 -10.989  -6.577  -2.975
  278    H    HIS  59           HN       HIS  59 -10.479  -7.637  -0.255
  279    HA   HIS  59           HA       HIS  59 -10.647 -10.485  -0.939
  280    HB2  HIS  59           HB2      HIS  59  -8.139  -8.937  -0.196
  281    HB3  HIS  59           HB1      HIS  59  -8.275 -10.628  -0.558
  282    HD1  HIS  59           HD1      HIS  59  -8.422 -11.333  -3.072
  283    HD2  HIS  59           HD2      HIS  59  -8.248  -7.236  -2.472
  284    HE1  HIS  59           HE1      HIS  59  -7.846 -10.317  -5.312
  285    HE2  HIS  59           HE2      HIS  59  -8.023  -7.894  -4.961
  286    H    GLY  60           HN       GLY  60 -11.694  -8.729   1.365
  287    HA2  GLY  60           HA2      GLY  60 -12.072  -9.135   3.612
  288    HA3  GLY  60           HA1      GLY  60 -11.204 -10.655   3.380
  289    H    ALA  61           HN       ALA  61  -9.794  -7.733   2.472
  290    HA   ALA  61           HA       ALA  61  -8.013  -7.731   4.821
  291    HB1  ALA  61           HB1      ALA  61  -6.203  -6.990   3.310
  292    HB2  ALA  61           HB2      ALA  61  -7.302  -7.109   1.942
  293    HB3  ALA  61           HB3      ALA  61  -6.824  -8.566   2.810
  294    H    ASP  62           HN       ASP  62  -6.853  -5.386   4.719
  295    HA   ASP  62           HA       ASP  62  -8.684  -3.423   3.649
  296    HB2  ASP  62           HB2      ASP  62  -8.988  -3.918   6.266
  297    HB3  ASP  62           HB1      ASP  62  -7.556  -2.888   6.379
  298    H    MET  63           HN       MET  63  -7.398  -1.215   3.945
  299    HA   MET  63           HA       MET  63  -4.984  -1.768   2.515
  300    HB2  MET  63           HB2      MET  63  -5.883   0.911   3.615
  301    HB3  MET  63           HB1      MET  63  -4.437   0.675   2.648
  302    HG2  MET  63           HG2      MET  63  -5.787  -0.077   0.775
  303    HG3  MET  63           HG1      MET  63  -7.217   0.140   1.797
  304    HE1  MET  63           HE1      MET  63  -3.972   2.377   1.522
  305    HE2  MET  63           HE2      MET  63  -4.556   3.692   0.523
  306    HE3  MET  63           HE3      MET  63  -4.247   2.149  -0.220
  307    H    ILE  64           HN       ILE  64  -2.950  -1.394   2.946
  308    HA   ILE  64           HA       ILE  64  -1.608  -2.414   5.018
  309    HB   ILE  64           HB       ILE  64  -0.414  -1.928   3.141
  310   HG12  ILE  64          HG12      ILE  64   0.352   0.106   5.134
  311   HG13  ILE  64          HG11      ILE  64   1.031  -1.578   5.020
  312   HG21  ILE  64          HG21      ILE  64  -1.757  -0.352   2.078
  313   HG22  ILE  64          HG22      ILE  64  -0.115   0.270   2.113
  314   HG23  ILE  64          HG23      ILE  64  -1.327   0.917   3.231
  315   HD11  ILE  64          HD11      ILE  64   2.664  -0.009   4.244
  316   HD12  ILE  64          HD12      ILE  64   1.479   0.757   3.169
  317   HD13  ILE  64          HD13      ILE  64   1.996  -0.903   2.879
  318    H    SER  65           HN       SER  65  -0.323  -1.611   6.824
  319    HA   SER  65           HA       SER  65  -0.999   0.880   7.993
  320    HB2  SER  65           HB2      SER  65  -2.945  -0.387   8.608
  321    HB3  SER  65           HB1      SER  65  -1.933  -1.719   9.180
  322    HG   SER  65           HG       SER  65  -2.717  -0.447  10.870
  323    H    ILE  66           HN       ILE  66   0.797   1.494   8.927
  324    HA   ILE  66           HA       ILE  66   2.837  -0.482   9.488
  325    HB   ILE  66           HB       ILE  66   3.076   2.473   8.964
  326   HG12  ILE  66          HG12      ILE  66   3.888   0.021   7.370
  327   HG13  ILE  66          HG11      ILE  66   2.476   1.002   7.042
  328   HG21  ILE  66          HG21      ILE  66   5.208   0.478   9.594
  329   HG22  ILE  66          HG22      ILE  66   4.722   1.867  10.547
  330   HG23  ILE  66          HG23      ILE  66   5.495   2.112   8.989
  331   HD11  ILE  66          HD11      ILE  66   3.897   2.854   6.434
  332   HD12  ILE  66          HD12      ILE  66   4.318   1.404   5.514
  333   HD13  ILE  66          HD13      ILE  66   5.325   1.920   6.871
  334    H    HIS  67           HN       HIS  67   3.285  -0.980  11.413
  335    HA   HIS  67           HA       HIS  67   2.808   1.038  13.446
  336    HB2  HIS  67           HB2      HIS  67   2.485  -1.963  13.690
  337    HB3  HIS  67           HB1      HIS  67   2.522  -0.878  15.074
  338    HD1  HIS  67           HD1      HIS  67   0.349   0.174  15.724
  339    HD2  HIS  67           HD2      HIS  67   0.191  -1.428  11.895
  340    HE1  HIS  67           HE1      HIS  67  -2.041   0.337  15.028
  341    HE2  HIS  67           HE2      HIS  67  -2.161  -0.927  12.844
  342    H    ASN  68           HN       ASN  68   5.286  -0.147  11.690
  343    HA   ASN  68           HA       ASN  68   7.240   0.597  13.625
  344    HB2  ASN  68           HB2      ASN  68   7.273  -2.292  12.662
  345    HB3  ASN  68           HB1      ASN  68   8.577  -1.524  13.528
  346   HD21  ASN  68          HD21      ASN  68   5.485  -2.978  13.682
  347   HD22  ASN  68          HD22      ASN  68   5.460  -3.224  15.380
  348    H    GLU  69           HN       GLU  69   9.478   0.507  12.634
  349    HA   GLU  69           HA       GLU  69   9.378   1.165   9.920
  350    HB2  GLU  69           HB2      GLU  69  11.751   1.031   9.980
  351    HB3  GLU  69           HB1      GLU  69  11.192   2.071  11.315
  352    HG2  GLU  69           HG2      GLU  69  11.565   0.047  12.720
  353    HG3  GLU  69           HG1      GLU  69  12.252  -0.740  11.321
  354    H    GLU  70           HN       GLU  70   9.762  -1.782  11.740
  355    HA   GLU  70           HA       GLU  70  10.883  -3.439  10.018
  356    HB2  GLU  70           HB2      GLU  70   9.130  -3.353  12.282
  357    HB3  GLU  70           HB1      GLU  70   8.801  -4.762  11.384
  358    HG2  GLU  70           HG2      GLU  70  11.428  -3.858  12.553
  359    HG3  GLU  70           HG1      GLU  70  10.411  -5.159  13.171
  360    H    GLU  71           HN       GLU  71   7.546  -2.329  10.390
  361    HA   GLU  71           HA       GLU  71   6.321  -3.869   8.318
  362    HB2  GLU  71           HB2      GLU  71   5.401  -2.238  10.371
  363    HB3  GLU  71           HB1      GLU  71   5.270  -1.233   8.943
  364    HG2  GLU  71           HG2      GLU  71   3.784  -3.831   9.395
  365    HG3  GLU  71           HG1      GLU  71   3.193  -2.176   9.186
  366    H    ASN  72           HN       ASN  72   7.432  -0.508   8.679
  367    HA   ASN  72           HA       ASN  72   6.590   0.499   6.265
  368    HB2  ASN  72           HB2      ASN  72   7.385   1.858   8.181
  369    HB3  ASN  72           HB1      ASN  72   9.007   1.254   7.884
  370   HD21  ASN  72          HD21      ASN  72  10.199   2.009   6.211
  371   HD22  ASN  72          HD22      ASN  72   9.709   3.313   5.204
  372    H    ALA  73           HN       ALA  73   9.713  -0.759   7.176
  373    HA   ALA  73           HA       ALA  73  10.832  -0.502   4.585
  374    HB1  ALA  73           HB1      ALA  73  11.828  -2.063   6.944
  375    HB2  ALA  73           HB2      ALA  73  12.040  -0.346   6.695
  376    HB3  ALA  73           HB3      ALA  73  12.763  -1.500   5.530
  377    H    PHE  74           HN       PHE  74   9.119  -3.035   6.270
  378    HA   PHE  74           HA       PHE  74   9.693  -5.273   4.728
  379    HB2  PHE  74           HB2      PHE  74   8.096  -5.547   6.739
  380    HB3  PHE  74           HB1      PHE  74   7.190  -4.299   5.933
  381    HD1  PHE  74           HD2      PHE  74   8.490  -7.644   4.932
  382    HD2  PHE  74           HD1      PHE  74   5.349  -4.909   5.456
  383    HE1  PHE  74           HE2      PHE  74   6.886  -9.299   4.026
  384    HE2  PHE  74           HE1      PHE  74   3.834  -6.330   4.671
  385    HZ   PHE  74           HZ       PHE  74   4.485  -8.667   3.869
  386    H    ILE  75           HN       ILE  75   7.276  -2.865   4.488
  387    HA   ILE  75           HA       ILE  75   5.695  -3.804   2.257
  388    HB   ILE  75           HB       ILE  75   6.029  -1.019   3.390
  389   HG12  ILE  75          HG12      ILE  75   5.502  -2.799   5.017
  390   HG13  ILE  75          HG11      ILE  75   4.311  -1.562   5.067
  391   HG21  ILE  75          HG21      ILE  75   3.804  -2.275   1.893
  392   HG22  ILE  75          HG22      ILE  75   4.933  -1.040   1.268
  393   HG23  ILE  75          HG23      ILE  75   3.839  -0.678   2.633
  394   HD11  ILE  75          HD11      ILE  75   4.153  -4.264   3.813
  395   HD12  ILE  75          HD12      ILE  75   2.926  -2.988   3.617
  396   HD13  ILE  75          HD13      ILE  75   3.331  -3.588   5.234
  397    H    LEU  76           HN       LEU  76   8.133  -1.636   2.805
  398    HA   LEU  76           HA       LEU  76   8.313  -0.353   0.439
  399    HB2  LEU  76           HB2      LEU  76   9.342  -0.311   2.782
  400    HB3  LEU  76           HB1      LEU  76  10.720  -1.001   2.007
  401    HG   LEU  76           HG       LEU  76  10.045   1.016   0.300
  402   HD11  LEU  76          HD11      LEU  76   8.904   1.830   2.888
  403   HD12  LEU  76          HD12      LEU  76   8.038   1.269   1.491
  404   HD13  LEU  76          HD13      LEU  76   8.949   2.794   1.396
  405   HD21  LEU  76          HD21      LEU  76  11.387   1.709   2.897
  406   HD22  LEU  76          HD22      LEU  76  11.338   2.602   1.351
  407   HD23  LEU  76          HD23      LEU  76  12.200   1.063   1.436
  408    H    ASP  77           HN       ASP  77  10.092  -3.187   1.493
  409    HA   ASP  77           HA       ASP  77  11.324  -3.519  -1.197
  410    HB2  ASP  77           HB2      ASP  77  12.552  -4.073   0.898
  411    HB3  ASP  77           HB1      ASP  77  11.381  -5.322   1.200
  412    H    THR  78           HN       THR  78   8.747  -4.724   0.632
  413    HA   THR  78           HA       THR  78   8.720  -7.286  -0.543
  414    HB   THR  78           HB       THR  78   6.902  -5.775   1.235
  415    HG1  THR  78           HG1      THR  78   8.640  -6.477   2.248
  416   HG21  THR  78          HG21      THR  78   5.477  -7.237  -0.053
  417   HG22  THR  78          HG22      THR  78   5.617  -7.845   1.604
  418   HG23  THR  78          HG23      THR  78   6.534  -8.604   0.291
  419    H    LEU  79           HN       LEU  79   7.265  -4.304  -1.006
  420    HA   LEU  79           HA       LEU  79   5.185  -4.819  -2.573
  421    HB2  LEU  79           HB2      LEU  79   6.428  -2.756  -1.579
  422    HB3  LEU  79           HB1      LEU  79   6.945  -2.545  -3.207
  423    HG   LEU  79           HG       LEU  79   5.027  -1.293  -3.099
  424   HD11  LEU  79          HD11      LEU  79   3.754  -3.957  -3.480
  425   HD12  LEU  79          HD12      LEU  79   4.685  -3.145  -4.728
  426   HD13  LEU  79          HD13      LEU  79   3.182  -2.413  -4.118
  427   HD21  LEU  79          HD21      LEU  79   4.603  -1.581  -0.787
  428   HD22  LEU  79          HD22      LEU  79   4.099  -3.251  -1.015
  429   HD23  LEU  79          HD23      LEU  79   3.081  -1.922  -1.607
  430    H    LYS  80           HN       LYS  80   8.389  -3.804  -3.521
  431    HA   LYS  80           HA       LYS  80   8.242  -4.516  -6.235
  432    HB2  LYS  80           HB2      LYS  80  10.553  -3.933  -4.483
  433    HB3  LYS  80           HB1      LYS  80  10.643  -3.938  -6.260
  434    HG2  LYS  80           HG2      LYS  80  10.016  -1.778  -6.194
  435    HG3  LYS  80           HG1      LYS  80   8.481  -2.370  -5.567
  436    HD2  LYS  80           HD2      LYS  80   9.287  -0.786  -4.116
  437    HD3  LYS  80           HD1      LYS  80   9.382  -2.340  -3.331
  438    HE2  LYS  80           HE2      LYS  80  11.720  -2.578  -3.686
  439    HE3  LYS  80           HE1      LYS  80  11.805  -1.141  -4.713
  440    HZ1  LYS  80           HZ1      LYS  80  11.140  -1.129  -1.799
  441    HZ2  LYS  80           HZ2      LYS  80  11.578   0.224  -2.754
  442    HZ3  LYS  80           HZ3      LYS  80  12.679  -0.955  -2.419
  443    H    LYS  81           HN       LYS  81   9.509  -6.409  -3.388
  444    HA   LYS  81           HA       LYS  81  10.976  -8.195  -4.808
  445    HB2  LYS  81           HB2      LYS  81  11.376  -9.037  -2.776
  446    HB3  LYS  81           HB1      LYS  81  10.831  -7.467  -2.340
  447    HG2  LYS  81           HG2      LYS  81   8.683  -8.251  -2.092
  448    HG3  LYS  81           HG1      LYS  81   9.156  -9.891  -2.387
  449    HD2  LYS  81           HD2      LYS  81  10.437  -8.295  -0.155
  450    HD3  LYS  81           HD1      LYS  81   9.106  -9.446   0.124
  451    HE2  LYS  81           HE2      LYS  81  10.531 -11.065  -1.096
  452    HE3  LYS  81           HE1      LYS  81  11.866  -9.939  -0.927
  453    HZ1  LYS  81           HZ1      LYS  81  10.364 -11.146   1.345
  454    HZ2  LYS  81           HZ2      LYS  81  11.520  -9.954   1.524
  455    HZ3  LYS  81           HZ3      LYS  81  11.957 -11.475   0.947
  456    H    GLN  82           HN       GLN  82   7.563  -8.316  -3.838
  457    HA   GLN  82           HA       GLN  82   7.388 -10.967  -5.097
  458    HB2  GLN  82           HB2      GLN  82   6.609 -10.592  -2.822
  459    HB3  GLN  82           HB1      GLN  82   5.378  -9.498  -3.430
  460    HG2  GLN  82           HG2      GLN  82   4.334 -11.640  -3.109
  461    HG3  GLN  82           HG1      GLN  82   4.544 -11.394  -4.830
  462   HE21  GLN  82          HE21      GLN  82   6.003 -12.962  -2.041
  463   HE22  GLN  82          HE22      GLN  82   6.690 -14.254  -2.936
  464    H    TRP  83           HN       TRP  83   5.989  -7.756  -5.120
  465    HA   TRP  83           HA       TRP  83   4.318  -8.511  -7.378
  466    HB2  TRP  83           HB2      TRP  83   3.981  -6.147  -5.454
  467    HB3  TRP  83           HB1      TRP  83   2.833  -6.741  -6.653
  468    HD1  TRP  83           HD1      TRP  83   2.080  -9.548  -6.043
  469    HE1  TRP  83           HE1      TRP  83   1.371 -10.391  -3.671
  470    HE3  TRP  83           HE3      TRP  83   4.070  -5.921  -3.307
  471    HZ2  TRP  83           HZ2      TRP  83   1.605  -9.563  -1.039
  472    HZ3  TRP  83           HZ3      TRP  83   3.830  -5.918  -0.815
  473    HH2  TRP  83           HH2      TRP  83   2.619  -7.680   0.301
  474    H    LYS  84           HN       LYS  84   3.837  -5.876  -8.232
  475    HA   LYS  84           HA       LYS  84   6.142  -5.443  -9.879
  476    HB2  LYS  84           HB2      LYS  84   3.775  -3.627  -9.454
  477    HB3  LYS  84           HB1      LYS  84   4.926  -3.568 -10.781
  478    HG2  LYS  84           HG2      LYS  84   4.107  -5.613 -11.683
  479    HG3  LYS  84           HG1      LYS  84   3.108  -5.910 -10.259
  480    HD2  LYS  84           HD2      LYS  84   1.673  -5.072 -12.010
  481    HD3  LYS  84           HD1      LYS  84   1.863  -3.821 -10.781
  482    HE2  LYS  84           HE2      LYS  84   3.621  -2.770 -12.206
  483    HE3  LYS  84           HE1      LYS  84   3.251  -3.962 -13.447
  484    HZ1  LYS  84           HZ1      LYS  84   0.985  -3.111 -13.539
  485    HZ2  LYS  84           HZ2      LYS  84   2.088  -1.865 -13.814
  486    HZ3  LYS  84           HZ3      LYS  84   1.335  -2.001 -12.325
  487    H    GLY  85           HN       GLY  85   4.608  -3.066  -7.801
  488    HA2  GLY  85           HA2      GLY  85   5.369  -1.992  -6.343
  489    HA3  GLY  85           HA1      GLY  85   6.902  -2.083  -6.266
  490    HA   PRO  86           HA       PRO  86   5.558   1.468  -8.916
  491    HB2  PRO  86           HB2      PRO  86   3.763   2.852  -7.516
  492    HB3  PRO  86           HB1      PRO  86   3.427   1.277  -8.330
  493    HG2  PRO  86           HG2      PRO  86   3.727   1.693  -5.407
  494    HG3  PRO  86           HG1      PRO  86   2.662   0.622  -6.358
  495    HD2  PRO  86           HD2      PRO  86   5.221  -0.021  -5.267
  496    HD3  PRO  86           HD1      PRO  86   4.036  -0.947  -6.185
  497    H    ASP  87           HN       ASP  87   5.782   3.916  -8.227
  498    HA   ASP  87           HA       ASP  87   8.302   4.224  -6.905
  499    HB2  ASP  87           HB2      ASP  87   6.217   6.231  -7.705
  500    HB3  ASP  87           HB1      ASP  87   7.714   6.703  -6.933
  501    H    ASP  88           HN       ASP  88   5.021   4.742  -5.950
  502    HA   ASP  88           HA       ASP  88   5.654   4.372  -3.197
  503    HB2  ASP  88           HB2      ASP  88   4.445   6.420  -2.447
  504    HB3  ASP  88           HB1      ASP  88   6.031   6.691  -3.098
  505    H    ILE  89           HN       ILE  89   4.150   3.628  -2.074
  506    HA   ILE  89           HA       ILE  89   1.744   2.700  -3.518
  507    HB   ILE  89           HB       ILE  89   1.559   0.983  -1.850
  508   HG12  ILE  89          HG12      ILE  89   2.919   2.674  -0.434
  509   HG13  ILE  89          HG11      ILE  89   2.635   1.128   0.224
  510   HG21  ILE  89          HG21      ILE  89   4.301   1.248  -3.021
  511   HG22  ILE  89          HG22      ILE  89   2.886   0.504  -3.806
  512   HG23  ILE  89          HG23      ILE  89   3.615  -0.236  -2.383
  513   HD11  ILE  89          HD11      ILE  89   4.989   2.075   0.425
  514   HD12  ILE  89          HD12      ILE  89   5.012   2.240  -1.312
  515   HD13  ILE  89          HD13      ILE  89   5.036   0.628  -0.594
  516    H    LEU  90           HN       LEU  90  -0.325   2.848  -2.374
  517    HA   LEU  90           HA       LEU  90  -0.267   5.135  -0.779
  518    HB2  LEU  90           HB2      LEU  90  -2.331   3.767  -2.306
  519    HB3  LEU  90           HB1      LEU  90  -2.747   3.639  -0.709
  520    HG   LEU  90           HG       LEU  90  -2.281   6.335  -1.897
  521   HD11  LEU  90          HD11      LEU  90  -3.976   5.262  -3.098
  522   HD12  LEU  90          HD12      LEU  90  -4.748   6.384  -1.974
  523   HD13  LEU  90          HD13      LEU  90  -4.737   4.645  -1.636
  524   HD21  LEU  90          HD21      LEU  90  -3.620   7.074  -0.035
  525   HD22  LEU  90          HD22      LEU  90  -2.191   6.187   0.525
  526   HD23  LEU  90          HD23      LEU  90  -3.769   5.409   0.529
  527    H    LEU  91           HN       LEU  91  -0.551   5.310   1.336
  528    HA   LEU  91           HA       LEU  91  -0.163   2.901   2.949
  529    HB2  LEU  91           HB2      LEU  91  -0.458   5.832   3.725
  530    HB3  LEU  91           HB1      LEU  91  -0.736   4.590   4.680
  531    HG   LEU  91           HG       LEU  91   1.205   4.441   5.484
  532   HD11  LEU  91          HD11      LEU  91   2.096   3.431   2.836
  533   HD12  LEU  91          HD12      LEU  91   1.489   2.506   4.224
  534   HD13  LEU  91          HD13      LEU  91   3.023   3.358   4.323
  535   HD21  LEU  91          HD21      LEU  91   1.668   6.680   4.724
  536   HD22  LEU  91          HD22      LEU  91   2.441   6.013   3.258
  537   HD23  LEU  91          HD23      LEU  91   3.061   5.656   4.885
  538    H    GLY  92           HN       GLY  92  -1.555   2.567   4.559
  539    HA2  GLY  92           HA2      GLY  92  -4.192   2.829   3.470
  540    HA3  GLY  92           HA1      GLY  92  -3.857   1.629   4.659
  541    H    MET  93           HN       MET  93  -3.650   5.095   4.287
  542    HA   MET  93           HA       MET  93  -4.641   5.272   6.903
  543    HB2  MET  93           HB2      MET  93  -2.836   6.106   7.758
  544    HB3  MET  93           HB1      MET  93  -2.032   5.820   6.229
  545    HG2  MET  93           HG2      MET  93  -2.626   8.056   5.458
  546    HG3  MET  93           HG1      MET  93  -3.477   8.347   6.958
  547    HE1  MET  93           HE1      MET  93  -0.216   6.273   7.071
  548    HE2  MET  93           HE2      MET  93   1.037   7.522   6.989
  549    HE3  MET  93           HE3      MET  93  -0.023   7.217   5.602
  550    H    PHE  94           HN       PHE  94  -5.933   7.084   7.213
  551    HA   PHE  94           HA       PHE  94  -6.422   8.525   4.744
  552    HB2  PHE  94           HB2      PHE  94  -8.821   8.206   4.969
  553    HB3  PHE  94           HB1      PHE  94  -7.989   6.735   5.012
  554    HD1  PHE  94           HD1      PHE  94  -7.793   5.602   6.866
  555    HD2  PHE  94           HD2      PHE  94 -10.159   8.962   6.892
  556    HE1  PHE  94           HE1      PHE  94  -8.958   4.646   8.812
  557    HE2  PHE  94           HE2      PHE  94 -11.371   8.126   8.878
  558    HZ   PHE  94           HZ       PHE  94 -10.694   5.856   9.804
  559    H    TYR  95           HN       TYR  95  -7.715  10.390   5.146
  560    HA   TYR  95           HA       TYR  95  -6.683  11.520   7.607
  561    HB2  TYR  95           HB2      TYR  95  -5.443  12.472   5.754
  562    HB3  TYR  95           HB1      TYR  95  -6.916  12.986   4.952
  563    HD1  TYR  95           HD1      TYR  95  -5.529  13.239   8.342
  564    HD2  TYR  95           HD2      TYR  95  -7.247  15.245   5.065
  565    HE1  TYR  95           HE1      TYR  95  -5.415  15.309   9.611
  566    HE2  TYR  95           HE2      TYR  95  -7.140  17.377   6.293
  567    HH   TYR  95           HH       TYR  95  -6.994  18.186   8.557
  568    H    ASP  96           HN       ASP  96  -8.228  11.469   8.894
  569    HA   ASP  96           HA       ASP  96 -10.911  12.071   8.157
  570    HB2  ASP  96           HB2      ASP  96 -10.298  10.517   9.988
  571    HB3  ASP  96           HB1      ASP  96  -9.670  11.892  10.861
  572    H    THR  97           HN       THR  97 -11.432  14.214   7.922
  573    HA   THR  97           HA       THR  97  -9.569  16.203   8.736
  574    HB   THR  97           HB       THR  97 -11.199  17.738   7.662
  575    HG1  THR  97           HG1      THR  97 -13.113  16.918   7.092
  576   HG21  THR  97          HG21      THR  97  -9.306  16.790   6.467
  577   HG22  THR  97          HG22      THR  97 -10.691  16.795   5.365
  578   HG23  THR  97          HG23      THR  97 -10.208  15.318   6.215
  579    H    ASP  98           HN       ASP  98 -12.328  14.865  10.031
  580    HA   ASP  98           HA       ASP  98 -13.288  16.970  11.708
  581    HB2  ASP  98           HB2      ASP  98 -14.609  14.974  11.238
  582    HB3  ASP  98           HB1      ASP  98 -13.440  13.984  12.080
  583    H    ASP  99           HN       ASP  99 -11.244  14.234  12.291
  584    HA   ASP  99           HA       ASP  99 -10.450  15.089  14.985
  585    HB2  ASP  99           HB2      ASP  99 -10.655  12.627  14.123
  586    HB3  ASP  99           HB1      ASP  99  -9.180  12.969  13.289
  587    H    ALA 100           HN       ALA 100  -9.576  15.348  11.767
  588    HA   ALA 100           HA       ALA 100  -7.952  16.090  10.574
  589    HB1  ALA 100           HB1      ALA 100  -8.249  18.174  11.831
  590    HB2  ALA 100           HB2      ALA 100  -6.547  17.947  11.417
  591    HB3  ALA 100           HB3      ALA 100  -7.110  17.606  13.059
  592    H    SER 101           HN       SER 101  -7.591  13.599  11.301
  593    HA   SER 101           HA       SER 101  -4.772  13.441  11.994
  594    HB2  SER 101           HB2      SER 101  -5.787  13.107  13.934
  595    HB3  SER 101           HB1      SER 101  -7.017  11.965  13.365
  596    HG   SER 101           HG       SER 101  -4.180  11.624  13.604
  597    H    PHE 102           HN       PHE 102  -3.841  11.629  11.416
  598    HA   PHE 102           HA       PHE 102  -5.033  10.482   9.151
  599    HB2  PHE 102           HB2      PHE 102  -2.203  10.192  10.140
  600    HB3  PHE 102           HB1      PHE 102  -2.849   9.449   8.697
  601    HD1  PHE 102           HD1      PHE 102  -3.597  10.798   6.880
  602    HD2  PHE 102           HD2      PHE 102  -1.580  12.396  10.241
  603    HE1  PHE 102           HE1      PHE 102  -3.074  12.868   5.608
  604    HE2  PHE 102           HE2      PHE 102  -1.046  14.435   9.015
  605    HZ   PHE 102           HZ       PHE 102  -1.758  14.702   6.740
  606    H    LYS 103           HN       LYS 103  -5.681   8.426   9.102
  607    HA   LYS 103           HA       LYS 103  -5.513   6.896  11.626
  608    HB2  LYS 103           HB2      LYS 103  -7.858   7.094   9.776
  609    HB3  LYS 103           HB1      LYS 103  -7.838   6.450  11.412
  610    HG2  LYS 103           HG2      LYS 103  -7.171   8.806  12.140
  611    HG3  LYS 103           HG1      LYS 103  -7.471   9.257  10.513
  612    HD2  LYS 103           HD2      LYS 103  -9.622   9.087  10.699
  613    HD3  LYS 103           HD1      LYS 103  -9.678   7.917  11.928
  614    HE2  LYS 103           HE2      LYS 103  -8.653  10.713  12.346
  615    HE3  LYS 103           HE1      LYS 103 -10.248  10.116  12.781
  616    HZ1  LYS 103           HZ1      LYS 103  -7.722   9.018  13.937
  617    HZ2  LYS 103           HZ2      LYS 103  -9.289   8.680  14.426
  618    HZ3  LYS 103           HZ3      LYS 103  -8.660  10.218  14.648
  619    H    TRP 104           HN       TRP 104  -5.132   4.726  11.329
  620    HA   TRP 104           HA       TRP 104  -4.616   3.809   8.670
  621    HB2  TRP 104           HB2      TRP 104  -4.655   2.445  11.369
  622    HB3  TRP 104           HB1      TRP 104  -4.283   1.640   9.831
  623    HD1  TRP 104           HD1      TRP 104  -2.581   2.951  12.712
  624    HE1  TRP 104           HE1      TRP 104  -0.122   3.516  12.177
  625    HE3  TRP 104           HE3      TRP 104  -2.791   3.012   7.605
  626    HZ2  TRP 104           HZ2      TRP 104   1.478   3.990   9.960
  627    HZ3  TRP 104           HZ3      TRP 104  -0.749   3.533   6.362
  628    HH2  TRP 104           HH2      TRP 104   1.351   4.015   7.518
  629    H    PHE 105           HN       PHE 105  -5.920   2.609   7.429
  630    HA   PHE 105           HA       PHE 105  -8.661   2.365   8.033
  631    HB2  PHE 105           HB2      PHE 105  -6.947   1.185   5.855
  632    HB3  PHE 105           HB1      PHE 105  -8.584   0.601   6.088
  633    HD1  PHE 105           HD2      PHE 105 -10.328   2.544   6.404
  634    HD2  PHE 105           HD1      PHE 105  -6.661   2.941   4.201
  635    HE1  PHE 105           HE2      PHE 105 -11.220   4.414   5.110
  636    HE2  PHE 105           HE1      PHE 105  -7.491   4.664   3.048
  637    HZ   PHE 105           HZ       PHE 105  -9.813   5.492   3.425
  638    H    ASP 106           HN       ASP 106  -5.958   0.586   8.724
  639    HA   ASP 106           HA       ASP 106  -6.944  -1.990   9.458
  640    HB2  ASP 106           HB2      ASP 106  -4.641  -1.771   9.113
  641    HB3  ASP 106           HB1      ASP 106  -4.546  -0.310  10.055
  642    H    ASN 107           HN       ASN 107  -7.467   1.037  10.734
  643    HA   ASN 107           HA       ASN 107  -8.772   1.854  12.295
  644    HB2  ASN 107           HB2      ASN 107  -9.385  -1.005  13.024
  645    HB3  ASN 107           HB1      ASN 107 -10.119   0.377  13.824
  646   HD21  ASN 107          HD21      ASN 107 -11.486   1.733  12.616
  647   HD22  ASN 107          HD22      ASN 107 -12.282   1.185  11.208
  648    H    SER 108           HN       SER 108  -6.088   0.157  13.054
  649    HA   SER 108           HA       SER 108  -6.177   0.798  15.839
  650    HB2  SER 108           HB2      SER 108  -3.958  -0.324  14.133
  651    HB3  SER 108           HB1      SER 108  -3.915  -0.177  15.892
  652    HG   SER 108           HG       SER 108  -6.166  -1.412  15.208
  653    H    ASN 109           HN       ASN 109  -4.543   2.087  16.853
  654    HA   ASN 109           HA       ASN 109  -4.419   4.737  15.992
  655    HB2  ASN 109           HB2      ASN 109  -4.073   4.019  18.433
  656    HB3  ASN 109           HB1      ASN 109  -2.553   3.341  17.914
  657   HD21  ASN 109          HD21      ASN 109  -1.637   4.582  19.450
  658   HD22  ASN 109          HD22      ASN 109  -1.427   6.270  19.198
  659    H    MET 110           HN       MET 110  -2.818   5.921  14.999
  660    HA   MET 110           HA       MET 110  -0.755   4.433  13.675
  661    HB2  MET 110           HB2      MET 110  -1.839   6.360  12.601
  662    HB3  MET 110           HB1      MET 110  -1.173   7.415  13.835
  663    HG2  MET 110           HG2      MET 110   1.052   7.045  13.079
  664    HG3  MET 110           HG1      MET 110   0.532   5.747  12.003
  665    HE1  MET 110           HE1      MET 110  -1.110   6.085  10.026
  666    HE2  MET 110           HE2      MET 110  -1.541   7.646   9.347
  667    HE3  MET 110           HE3      MET 110  -2.250   7.141  10.871
  668    H    THR 111           HN       THR 111   0.419   3.545  15.241
  669    HA   THR 111           HA       THR 111   1.490   5.116  17.357
  670    HB   THR 111           HB       THR 111   2.460   2.855  18.010
  671    HG1  THR 111           HG1      THR 111   2.055   1.194  16.819
  672   HG21  THR 111          HG21      THR 111  -0.554   3.087  17.619
  673   HG22  THR 111          HG22      THR 111   0.359   3.711  18.974
  674   HG23  THR 111          HG23      THR 111   0.256   1.974  18.715
  675    H    PHE 112           HN       PHE 112   2.511   3.938  14.244
  676    HA   PHE 112           HA       PHE 112   5.223   4.975  14.755
  677    HB2  PHE 112           HB2      PHE 112   4.996   2.332  14.360
  678    HB3  PHE 112           HB1      PHE 112   4.666   2.824  12.775
  679    HD1  PHE 112           HD2      PHE 112   7.289   3.475  15.332
  680    HD2  PHE 112           HD1      PHE 112   6.181   3.170  11.311
  681    HE1  PHE 112           HE2      PHE 112   9.649   3.794  14.711
  682    HE2  PHE 112           HE1      PHE 112   8.578   3.485  10.602
  683    HZ   PHE 112           HZ       PHE 112  10.297   3.809  12.340
  684    H    ASP 113           HN       ASP 113   6.157   6.040  13.022
  685    HA   ASP 113           HA       ASP 113   4.763   6.305  10.558
  686    HB2  ASP 113           HB2      ASP 113   4.372   8.663  10.667
  687    HB3  ASP 113           HB1      ASP 113   3.443   7.849  11.904
  688    H    LYS 114           HN       LYS 114   5.787   7.136   8.979
  689    HA   LYS 114           HA       LYS 114   8.541   7.941   9.538
  690    HB2  LYS 114           HB2      LYS 114   7.425   6.359   7.218
  691    HB3  LYS 114           HB1      LYS 114   9.058   6.985   7.352
  692    HG2  LYS 114           HG2      LYS 114   7.955   5.066   9.363
  693    HG3  LYS 114           HG1      LYS 114   8.714   4.583   7.842
  694    HD2  LYS 114           HD2      LYS 114  10.057   6.324   9.867
  695    HD3  LYS 114           HD1      LYS 114  10.263   4.575   9.759
  696    HE2  LYS 114           HE2      LYS 114  10.975   6.581   7.578
  697    HE3  LYS 114           HE1      LYS 114  12.060   5.587   8.584
  698    HZ1  LYS 114           HZ1      LYS 114  11.083   3.680   7.479
  699    HZ2  LYS 114           HZ2      LYS 114  11.899   4.747   6.490
  700    HZ3  LYS 114           HZ3      LYS 114  10.224   4.770   6.497
  701    H    TRP 115           HN       TRP 115   7.214   9.996   9.617
  702    HA   TRP 115           HA       TRP 115   6.142  10.904   7.086
  703    HB2  TRP 115           HB2      TRP 115   6.375  12.199   9.757
  704    HB3  TRP 115           HB1      TRP 115   5.686  13.038   8.378
  705    HD1  TRP 115           HD1      TRP 115   4.719  11.228  11.204
  706    HE1  TRP 115           HE1      TRP 115   2.248  10.427  11.023
  707    HE3  TRP 115           HE3      TRP 115   4.166  11.921   6.323
  708    HZ2  TRP 115           HZ2      TRP 115   0.347  10.159   8.951
  709    HZ3  TRP 115           HZ3      TRP 115   2.088  11.410   5.269
  710    HH2  TRP 115           HH2      TRP 115   0.182  10.532   6.523
  711    H    THR 116           HN       THR 116   7.089  12.237   5.738
  712    HA   THR 116           HA       THR 116   9.752  13.144   6.432
  713    HB   THR 116           HB       THR 116   9.515  11.815   4.400
  714    HG1  THR 116           HG1      THR 116  11.113  12.887   3.924
  715   HG21  THR 116          HG21      THR 116   8.419  12.750   2.371
  716   HG22  THR 116          HG22      THR 116   7.778  14.065   3.357
  717   HG23  THR 116          HG23      THR 116   7.260  12.407   3.651
  718    H    ASP 117           HN       ASP 117  10.167  15.421   5.410
  719    HA   ASP 117           HA       ASP 117   8.085  17.116   6.504
  720    HB2  ASP 117           HB2      ASP 117  10.441  17.786   6.850
  721    HB3  ASP 117           HB1      ASP 117  10.654  17.936   5.108
  722    H    GLN 118           HN       GLN 118   6.253  17.664   5.294
  723    HA   GLN 118           HA       GLN 118   6.605  17.872   2.508
  724    HB2  GLN 118           HB2      GLN 118   5.329  15.813   3.500
  725    HB3  GLN 118           HB1      GLN 118   4.330  17.138   4.161
  726    HG2  GLN 118           HG2      GLN 118   3.882  17.951   2.419
  727    HG3  GLN 118           HG1      GLN 118   4.750  16.889   1.270
  728   HE21  GLN 118          HE21      GLN 118   1.789  17.424   2.940
  729   HE22  GLN 118          HE22      GLN 118   1.080  15.862   2.598
  730    H    ASP 119           HN       ASP 119   4.996  19.377   1.832
  731    HA   ASP 119           HA       ASP 119   4.614  21.671   3.392
  732    HB2  ASP 119           HB2      ASP 119   4.823  21.837   1.208
  733    HB3  ASP 119           HB1      ASP 119   3.555  20.569   0.899
  734    H    ASP 120           HN       ASP 120   2.823  22.455   3.889
  735    HA   ASP 120           HA       ASP 120   0.787  22.845   4.838
  736    HB2  ASP 120           HB2      ASP 120   0.106  21.104   2.815
  737    HB3  ASP 120           HB1      ASP 120  -0.579  20.374   4.247
  738    H    ASP 121           HN       ASP 121  -0.293  22.590   6.612
  739    HA   ASP 121           HA       ASP 121   0.251  20.221   8.269
  740    HB2  ASP 121           HB2      ASP 121   0.347  23.097   9.155
  741    HB3  ASP 121           HB1      ASP 121   0.463  21.710  10.231
  742    H    GLU 122           HN       GLU 122  -1.979  22.332   6.848
  743    HA   GLU 122           HA       GLU 122  -3.928  22.009   8.960
  744    HB2  GLU 122           HB2      GLU 122  -3.837  23.847   6.570
  745    HB3  GLU 122           HB1      GLU 122  -5.088  23.803   7.797
  746    HG2  GLU 122           HG2      GLU 122  -2.218  24.464   8.244
  747    HG3  GLU 122           HG1      GLU 122  -3.489  25.669   8.042
  748    H    ASP 123           HN       ASP 123  -4.276  22.546   5.510
  749    HA   ASP 123           HA       ASP 123  -5.816  20.081   5.382
  750    HB2  ASP 123           HB2      ASP 123  -6.991  20.988   3.496
  751    HB3  ASP 123           HB1      ASP 123  -7.332  21.944   4.951
  752    H    LEU 124           HN       LEU 124  -4.570  18.643   4.768
  753    HA   LEU 124           HA       LEU 124  -3.161  19.110   2.296
  754    HB2  LEU 124           HB2      LEU 124  -2.043  16.838   3.047
  755    HB3  LEU 124           HB1      LEU 124  -1.390  18.379   3.581
  756    HG   LEU 124           HG       LEU 124  -1.405  16.597   5.258
  757   HD11  LEU 124          HD11      LEU 124  -1.400  18.850   6.066
  758   HD12  LEU 124          HD12      LEU 124  -2.335  17.818   7.138
  759   HD13  LEU 124          HD13      LEU 124  -3.163  18.904   6.026
  760   HD21  LEU 124          HD21      LEU 124  -3.629  16.000   6.329
  761   HD22  LEU 124          HD22      LEU 124  -3.257  15.322   4.751
  762   HD23  LEU 124          HD23      LEU 124  -4.366  16.678   4.859
  763    H    VAL 125           HN       VAL 125  -5.767  18.750   2.244
  764    HA   VAL 125           HA       VAL 125  -6.498  16.007   2.014
  765    HB   VAL 125           HB       VAL 125  -8.076  18.558   1.490
  766   HG11  VAL 125          HG11      VAL 125 -10.100  17.240   1.554
  767   HG12  VAL 125          HG12      VAL 125  -9.167  15.773   1.826
  768   HG13  VAL 125          HG13      VAL 125  -9.031  16.625   0.284
  769   HG21  VAL 125          HG21      VAL 125  -8.024  16.688   3.826
  770   HG22  VAL 125          HG22      VAL 125  -9.103  18.073   3.661
  771   HG23  VAL 125          HG23      VAL 125  -7.352  18.316   3.783
  772    H    ASP 126           HN       ASP 126  -5.128  18.244   0.021
  773    HA   ASP 126           HA       ASP 126  -6.331  17.336  -2.467
  774    HB2  ASP 126           HB2      ASP 126  -5.770  19.672  -2.284
  775    HB3  ASP 126           HB1      ASP 126  -4.094  19.286  -1.940
  776    H    THR 127           HN       THR 127  -3.939  16.271  -0.519
  777    HA   THR 127           HA       THR 127  -2.734  14.695  -2.650
  778    HB   THR 127           HB       THR 127  -1.060  16.262  -1.975
  779    HG1  THR 127           HG1      THR 127  -0.179  14.190  -0.347
  780   HG21  THR 127          HG21      THR 127  -2.048  17.046   0.083
  781   HG22  THR 127          HG22      THR 127  -0.371  16.538   0.410
  782   HG23  THR 127          HG23      THR 127  -1.732  15.496   0.832
  783    H    CYS 128           HN       CYS 128  -1.590  12.726  -1.374
  784    HA   CYS 128           HA       CYS 128  -3.598  11.801   0.530
  785    HB2  CYS 128           HB2      CYS 128  -2.406   9.665  -1.113
  786    HB3  CYS 128           HB1      CYS 128  -4.004   9.929  -0.548
  787    H    ALA 129           HN       ALA 129  -2.427   9.271   1.155
  788    HA   ALA 129           HA       ALA 129   0.219  10.089   2.131
  789    HB1  ALA 129           HB1      ALA 129  -1.667   7.962   3.211
  790    HB2  ALA 129           HB2      ALA 129  -1.424   9.551   3.938
  791    HB3  ALA 129           HB3      ALA 129  -0.110   8.380   3.867
  792    H    PHE 130           HN       PHE 130   1.775   9.102   0.952
  793    HA   PHE 130           HA       PHE 130   1.256   6.303   0.410
  794    HB2  PHE 130           HB2      PHE 130   2.844   7.948  -1.619
  795    HB3  PHE 130           HB1      PHE 130   2.549   6.313  -1.530
  796    HD1  PHE 130           HD1      PHE 130  -0.203   8.815  -1.234
  797    HD2  PHE 130           HD2      PHE 130   1.617   5.712  -3.480
  798    HE1  PHE 130           HE1      PHE 130  -2.115   8.785  -2.805
  799    HE2  PHE 130           HE2      PHE 130  -0.285   5.689  -5.017
  800    HZ   PHE 130           HZ       PHE 130  -2.148   7.240  -4.677
  801    H    LEU 131           HN       LEU 131   2.680   5.163   1.113
  802    HA   LEU 131           HA       LEU 131   5.183   6.096   2.126
  803    HB2  LEU 131           HB2      LEU 131   4.213   4.277   3.099
  804    HB3  LEU 131           HB1      LEU 131   3.980   3.448   1.572
  805    HG   LEU 131           HG       LEU 131   6.436   3.232   1.441
  806   HD11  LEU 131          HD11      LEU 131   7.661   3.435   3.506
  807   HD12  LEU 131          HD12      LEU 131   6.304   4.380   4.137
  808   HD13  LEU 131          HD13      LEU 131   7.206   4.955   2.732
  809   HD21  LEU 131          HD21      LEU 131   5.153   2.110   3.865
  810   HD22  LEU 131          HD22      LEU 131   6.558   1.427   2.994
  811   HD23  LEU 131          HD23      LEU 131   4.955   1.494   2.226
  812    H    HIS 132           HN       HIS 132   6.899   6.537   1.069
  813    HA   HIS 132           HA       HIS 132   7.284   6.075  -1.759
  814    HB2  HIS 132           HB2      HIS 132   8.179   8.011  -0.252
  815    HB3  HIS 132           HB1      HIS 132   9.394   6.872   0.207
  816    HD1  HIS 132           HD1      HIS 132  10.736   9.088  -0.907
  817    HD2  HIS 132           HD2      HIS 132   9.021   6.289  -3.435
  818    HE1  HIS 132           HE1      HIS 132  11.908   9.361  -3.051
  819    HE2  HIS 132           HE2      HIS 132  10.487   8.036  -4.658
  820    H    ILE 133           HN       ILE 133   7.890   4.327  -2.608
  821    HA   ILE 133           HA       ILE 133   8.818   2.052  -1.333
  822    HB   ILE 133           HB       ILE 133   8.379   3.004  -4.066
  823   HG12  ILE 133          HG12      ILE 133   6.517   1.843  -3.180
  824   HG13  ILE 133          HG11      ILE 133   7.283   0.757  -4.266
  825   HG21  ILE 133          HG21      ILE 133  10.272   0.752  -3.688
  826   HG22  ILE 133          HG22      ILE 133  10.471   2.195  -4.677
  827   HG23  ILE 133          HG23      ILE 133   9.340   0.924  -5.149
  828   HD11  ILE 133          HD11      ILE 133   8.414  -0.302  -2.334
  829   HD12  ILE 133          HD12      ILE 133   6.658  -0.417  -2.364
  830   HD13  ILE 133          HD13      ILE 133   7.434   0.758  -1.298
  831    H    LYS 134           HN       LYS 134  10.426   4.726  -2.587
  832    HA   LYS 134           HA       LYS 134  12.955   3.326  -2.766
  833    HB2  LYS 134           HB2      LYS 134  12.401   6.242  -3.150
  834    HB3  LYS 134           HB1      LYS 134  13.961   5.464  -3.418
  835    HG2  LYS 134           HG2      LYS 134  12.944   4.082  -5.216
  836    HG3  LYS 134           HG1      LYS 134  11.405   4.864  -4.875
  837    HD2  LYS 134           HD2      LYS 134  12.407   5.835  -6.850
  838    HD3  LYS 134           HD1      LYS 134  12.316   7.014  -5.540
  839    HE2  LYS 134           HE2      LYS 134  14.557   6.479  -4.956
  840    HE3  LYS 134           HE1      LYS 134  14.731   5.431  -6.354
  841    HZ1  LYS 134           HZ1      LYS 134  14.242   7.361  -7.799
  842    HZ2  LYS 134           HZ2      LYS 134  15.624   7.643  -6.865
  843    HZ3  LYS 134           HZ3      LYS 134  14.184   8.366  -6.453
  844    H    THR 135           HN       THR 135  11.664   5.864  -0.620
  845    HA   THR 135           HA       THR 135  14.061   5.424   1.020
  846    HB   THR 135           HB       THR 135  13.511   7.644   2.051
  847    HG1  THR 135           HG1      THR 135  12.008   8.877   1.177
  848   HG21  THR 135          HG21      THR 135  15.212   7.424   0.314
  849   HG22  THR 135          HG22      THR 135  14.327   8.942   0.119
  850   HG23  THR 135          HG23      THR 135  13.966   7.562  -0.922
  851    H    GLY 136           HN       GLY 136  10.581   5.427   1.112
  852    HA2  GLY 136           HA2      GLY 136   9.227   4.350   2.717
  853    HA3  GLY 136           HA1      GLY 136  10.661   4.170   3.729
  854    H    GLU 137           HN       GLU 137   9.223   6.888   2.200
  855    HA   GLU 137           HA       GLU 137   8.891   8.188   4.806
  856    HB2  GLU 137           HB2      GLU 137   9.713   9.176   2.141
  857    HB3  GLU 137           HB1      GLU 137   9.162  10.290   3.384
  858    HG2  GLU 137           HG2      GLU 137  10.993   9.490   4.816
  859    HG3  GLU 137           HG1      GLU 137  11.535   8.418   3.521
  860    H    TRP 138           HN       TRP 138   6.962   9.353   5.056
  861    HA   TRP 138           HA       TRP 138   4.929   8.516   3.125
  862    HB2  TRP 138           HB2      TRP 138   4.578   9.413   5.963
  863    HB3  TRP 138           HB1      TRP 138   3.342   8.750   4.900
  864    HD1  TRP 138           HD1      TRP 138   5.933   6.488   4.079
  865    HE1  TRP 138           HE1      TRP 138   6.055   4.497   5.700
  866    HE3  TRP 138           HE3      TRP 138   3.061   8.258   7.823
  867    HZ2  TRP 138           HZ2      TRP 138   5.081   3.740   8.025
  868    HZ3  TRP 138           HZ3      TRP 138   2.680   6.732   9.819
  869    HH2  TRP 138           HH2      TRP 138   3.652   4.528   9.869
  870    H    LYS 139           HN       LYS 139   3.280   9.840   2.661
  871    HA   LYS 139           HA       LYS 139   3.730  12.735   2.708
  872    HB2  LYS 139           HB2      LYS 139   2.463  10.915   0.682
  873    HB3  LYS 139           HB1      LYS 139   2.155  12.649   0.704
  874    HG2  LYS 139           HG2      LYS 139   4.401  13.125   0.455
  875    HG3  LYS 139           HG1      LYS 139   4.844  11.437   0.620
  876    HD2  LYS 139           HD2      LYS 139   3.206  12.680  -1.631
  877    HD3  LYS 139           HD1      LYS 139   4.907  12.245  -1.769
  878    HE2  LYS 139           HE2      LYS 139   4.274   9.885  -1.326
  879    HE3  LYS 139           HE1      LYS 139   2.583  10.369  -1.337
  880    HZ1  LYS 139           HZ1      LYS 139   2.845  11.109  -3.638
  881    HZ2  LYS 139           HZ2      LYS 139   3.310   9.487  -3.503
  882    HZ3  LYS 139           HZ3      LYS 139   4.473  10.690  -3.589
  883    H    LYS 140           HN       LYS 140   2.074  13.892   3.029
  884    HA   LYS 140           HA       LYS 140   0.111  12.655   4.866
  885    HB2  LYS 140           HB2      LYS 140   0.883  15.515   4.484
  886    HB3  LYS 140           HB1      LYS 140  -0.370  14.971   5.576
  887    HG2  LYS 140           HG2      LYS 140   1.318  13.633   6.760
  888    HG3  LYS 140           HG1      LYS 140   2.545  14.333   5.698
  889    HD2  LYS 140           HD2      LYS 140   1.827  16.534   6.382
  890    HD3  LYS 140           HD1      LYS 140   0.696  15.818   7.510
  891    HE2  LYS 140           HE2      LYS 140   2.416  14.718   8.725
  892    HE3  LYS 140           HE1      LYS 140   3.660  15.272   7.602
  893    HZ1  LYS 140           HZ1      LYS 140   3.628  16.584   9.634
  894    HZ2  LYS 140           HZ2      LYS 140   2.028  17.041   9.369
  895    HZ3  LYS 140           HZ3      LYS 140   3.243  17.532   8.310
  896    H    GLY 141           HN       GLY 141  -1.945  12.303   4.195
  897    HA2  GLY 141           HA2      GLY 141  -3.668  14.204   3.310
  898    HA3  GLY 141           HA1      GLY 141  -2.928  13.568   1.860
  899    H    ASN 142           HN       ASN 142  -5.094  13.088   1.457
  900    HA   ASN 142           HA       ASN 142  -5.758  10.366   2.204
  901    HB2  ASN 142           HB2      ASN 142  -8.230  11.053   2.007
  902    HB3  ASN 142           HB1      ASN 142  -7.434  11.409   3.541
  903   HD21  ASN 142          HD21      ASN 142  -7.047  13.353   0.598
  904   HD22  ASN 142          HD22      ASN 142  -7.953  14.699   1.162
  905    H    CYS 143           HN       CYS 143  -6.491   9.173   0.385
  906    HA   CYS 143           HA       CYS 143  -5.970  10.702  -1.984
  907    HB2  CYS 143           HB2      CYS 143  -5.080   8.221  -1.280
  908    HB3  CYS 143           HB1      CYS 143  -6.300   7.892  -2.521
  909    H    GLU 144           HN       GLU 144  -7.781  11.706  -1.816
  910    HA   GLU 144           HA       GLU 144 -10.201  10.339  -2.648
  911    HB2  GLU 144           HB2      GLU 144  -9.694  13.282  -2.174
  912    HB3  GLU 144           HB1      GLU 144 -11.257  12.532  -2.403
  913    HG2  GLU 144           HG2      GLU 144  -9.433  11.860  -0.094
  914    HG3  GLU 144           HG1      GLU 144 -10.720  13.073  -0.009
  915    H    VAL 145           HN       VAL 145  -7.906  10.450  -4.285
  916    HA   VAL 145           HA       VAL 145  -8.947  11.794  -6.686
  917    HB   VAL 145           HB       VAL 145  -6.693  12.016  -7.589
  918   HG11  VAL 145          HG11      VAL 145  -6.940  13.057  -4.819
  919   HG12  VAL 145          HG12      VAL 145  -7.537  13.822  -6.301
  920   HG13  VAL 145          HG13      VAL 145  -5.791  13.674  -6.017
  921   HG21  VAL 145          HG21      VAL 145  -4.694  11.530  -6.229
  922   HG22  VAL 145          HG22      VAL 145  -5.615  10.076  -6.599
  923   HG23  VAL 145          HG23      VAL 145  -5.724  10.801  -4.996
  924    H    SER 146           HN       SER 146  -8.651  10.702  -8.669
  925    HA   SER 146           HA       SER 146  -9.161   7.894  -8.423
  926    HB2  SER 146           HB2      SER 146  -8.963   9.581 -10.855
  927    HB3  SER 146           HB1      SER 146  -9.677   7.959 -10.736
  928    HG   SER 146           HG       SER 146 -10.764   9.471  -8.859
  929    H    SER 147           HN       SER 147  -6.368   9.535  -8.605
  930    HA   SER 147           HA       SER 147  -4.983   8.090 -10.609
  931    HB2  SER 147           HB2      SER 147  -3.925   9.840  -8.449
  932    HB3  SER 147           HB1      SER 147  -3.115   9.436  -9.968
  933    HG   SER 147           HG       SER 147  -5.354  10.344 -10.772
  934    H    VAL 148           HN       VAL 148  -6.079   6.534  -8.272
  935    HA   VAL 148           HA       VAL 148  -3.514   5.378  -7.458
  936    HB   VAL 148           HB       VAL 148  -6.027   4.582  -5.988
  937   HG11  VAL 148          HG11      VAL 148  -4.518   3.949  -4.306
  938   HG12  VAL 148          HG12      VAL 148  -3.170   4.665  -5.181
  939   HG13  VAL 148          HG13      VAL 148  -4.014   3.271  -5.848
  940   HG21  VAL 148          HG21      VAL 148  -5.572   6.311  -4.326
  941   HG22  VAL 148          HG22      VAL 148  -5.946   7.043  -5.885
  942   HG23  VAL 148          HG23      VAL 148  -4.272   6.956  -5.332
  943    H    GLU 149           HN       GLU 149  -3.047   3.547  -8.124
  944    HA   GLU 149           HA       GLU 149  -5.049   1.973  -9.571
  945    HB2  GLU 149           HB2      GLU 149  -2.230   2.554 -10.451
  946    HB3  GLU 149           HB1      GLU 149  -3.284   1.295 -11.107
  947    HG2  GLU 149           HG2      GLU 149  -4.779   2.842 -12.002
  948    HG3  GLU 149           HG1      GLU 149  -4.124   4.179 -11.076
  949    H    GLY 150           HN       GLY 150  -3.426   1.899  -6.922
  950    HA2  GLY 150           HA2      GLY 150  -3.538  -0.884  -6.683
  951    HA3  GLY 150           HA1      GLY 150  -1.876  -0.393  -6.999
  952    H    THR 151           HN       THR 151  -3.527  -1.434  -4.649
  953    HA   THR 151           HA       THR 151  -2.258   0.345  -2.746
  954    HB   THR 151           HB       THR 151  -4.580   0.938  -2.590
  955    HG1  THR 151           HG1      THR 151  -4.399  -0.887  -0.490
  956   HG21  THR 151          HG21      THR 151  -5.155  -2.013  -2.308
  957   HG22  THR 151          HG22      THR 151  -5.562  -1.010  -3.704
  958   HG23  THR 151          HG23      THR 151  -6.336  -0.715  -2.148
  959    H    LEU 152           HN       LEU 152  -1.630  -0.667  -0.840
  960    HA   LEU 152           HA       LEU 152  -1.230  -3.528  -1.164
  961    HB2  LEU 152           HB2      LEU 152   0.725  -2.062  -0.538
  962    HB3  LEU 152           HB1      LEU 152  -0.095  -1.730   0.958
  963    HG   LEU 152           HG       LEU 152  -0.378  -4.201   1.210
  964   HD11  LEU 152          HD11      LEU 152   2.031  -4.276  -0.544
  965   HD12  LEU 152          HD12      LEU 152   0.430  -4.991  -0.865
  966   HD13  LEU 152          HD13      LEU 152   1.421  -5.584   0.467
  967   HD21  LEU 152          HD21      LEU 152   2.001  -4.351   2.099
  968   HD22  LEU 152          HD22      LEU 152   0.692  -3.444   2.791
  969   HD23  LEU 152          HD23      LEU 152   1.935  -2.584   1.810
  970    H    CYS 153           HN       CYS 153  -2.125  -4.903   0.122
  971    HA   CYS 153           HA       CYS 153  -4.101  -3.820   1.973
  972    HB2  CYS 153           HB2      CYS 153  -4.050  -6.522   0.720
  973    HB3  CYS 153           HB1      CYS 153  -5.372  -5.719   1.537
  974    H    LYS 154           HN       LYS 154  -4.230  -4.579   3.912
  975    HA   LYS 154           HA       LYS 154  -2.321  -6.569   4.808
  976    HB2  LYS 154           HB2      LYS 154  -1.469  -4.497   5.593
  977    HB3  LYS 154           HB1      LYS 154  -3.062  -3.935   6.110
  978    HG2  LYS 154           HG2      LYS 154  -3.043  -5.739   7.817
  979    HG3  LYS 154           HG1      LYS 154  -1.404  -6.140   7.336
  980    HD2  LYS 154           HD2      LYS 154  -0.684  -3.863   7.967
  981    HD3  LYS 154           HD1      LYS 154  -2.355  -3.492   8.403
  982    HE2  LYS 154           HE2      LYS 154  -0.755  -5.707   9.599
  983    HE3  LYS 154           HE1      LYS 154  -0.881  -4.092  10.325
  984    HZ1  LYS 154           HZ1      LYS 154  -3.181  -5.961   9.847
  985    HZ2  LYS 154           HZ2      LYS 154  -3.296  -4.461  10.592
  986    HZ3  LYS 154           HZ3      LYS 154  -2.418  -5.696  11.320
  987    H    THR 155           HN       THR 155  -3.311  -8.063   6.087
  988    HA   THR 155           HA       THR 155  -5.950  -7.474   7.171
  989    HB   THR 155           HB       THR 155  -6.146  -8.726   4.962
  990    HG1  THR 155           HG1      THR 155  -7.886  -9.631   5.767
  991   HG21  THR 155          HG21      THR 155  -4.122 -10.075   5.164
  992   HG22  THR 155          HG22      THR 155  -5.522 -11.138   4.932
  993   HG23  THR 155          HG23      THR 155  -4.797 -10.923   6.536
  994    H    ALA 156           HN       ALA 156  -6.190  -8.441   9.195
  995    HA   ALA 156           HA       ALA 156  -3.803  -9.537  10.403
  996    HB1  ALA 156           HB1      ALA 156  -6.597  -9.257  11.435
  997    HB2  ALA 156           HB2      ALA 156  -5.302  -8.068  11.705
  998    HB3  ALA 156           HB3      ALA 156  -5.195  -9.714  12.382
  999    H    ILE 157           HN       ILE 157  -3.420 -11.738  10.601
 1000    HA   ILE 157           HA       ILE 157  -5.617 -13.265   9.659
 1001    HB   ILE 157           HB       ILE 157  -4.001 -15.140   9.580
 1002   HG12  ILE 157          HG12      ILE 157  -2.012 -12.935   9.715
 1003   HG13  ILE 157          HG11      ILE 157  -2.359 -13.992  11.076
 1004   HG21  ILE 157          HG21      ILE 157  -4.769 -13.953   7.602
 1005   HG22  ILE 157          HG22      ILE 157  -3.054 -14.353   7.440
 1006   HG23  ILE 157          HG23      ILE 157  -3.544 -12.703   7.858
 1007   HD11  ILE 157          HD11      ILE 157  -0.474 -14.726   9.881
 1008   HD12  ILE 157          HD12      ILE 157  -1.510 -14.740   8.396
 1009   HD13  ILE 157          HD13      ILE 157  -1.885 -15.826   9.759
 1010    HA   PRO 158           HA       PRO 158  -6.337 -14.308  13.893
 1011    HB2  PRO 158           HB2      PRO 158  -8.709 -15.600  13.299
 1012    HB3  PRO 158           HB1      PRO 158  -8.526 -13.857  13.571
 1013    HG2  PRO 158           HG2      PRO 158  -9.032 -15.258  11.099
 1014    HG3  PRO 158           HG1      PRO 158  -9.216 -13.541  11.474
 1015    HD2  PRO 158           HD2      PRO 158  -7.069 -14.732   9.979
 1016    HD3  PRO 158           HD1      PRO 158  -7.191 -13.082  10.446
 1017    H    TYR 159           HN       TYR 159  -5.469 -16.074  11.524
 1018    HA   TYR 159           HA       TYR 159  -5.885 -18.712  12.552
 1019    HB2  TYR 159           HB2      TYR 159  -4.232 -17.699  10.250
 1020    HB3  TYR 159           HB1      TYR 159  -4.266 -19.431  10.674
 1021    HD1  TYR 159           HD1      TYR 159  -6.070 -16.544   9.619
 1022    HD2  TYR 159           HD2      TYR 159  -6.186 -20.721  10.001
 1023    HE1  TYR 159           HE1      TYR 159  -8.045 -16.559   8.226
 1024    HE2  TYR 159           HE2      TYR 159  -8.215 -20.825   8.605
 1025    HH   TYR 159           HH       TYR 159  -9.245 -18.246   6.722
 1026    H    LYS 160           HN       LYS 160  -3.571 -16.196  12.785
 1027    HA   LYS 160           HA       LYS 160  -1.954 -17.797  14.615
 1028    HB2  LYS 160           HB2      LYS 160  -0.992 -15.555  12.824
 1029    HB3  LYS 160           HB1      LYS 160   0.002 -16.432  13.978
 1030    HG2  LYS 160           HG2      LYS 160  -1.313 -17.608  11.534
 1031    HG3  LYS 160           HG1      LYS 160   0.377 -17.136  11.657
 1032    HD2  LYS 160           HD2      LYS 160  -0.946 -19.249  13.375
 1033    HD3  LYS 160           HD1      LYS 160  -0.023 -19.591  11.914
 1034    HE2  LYS 160           HE2      LYS 160   1.933 -18.457  12.983
 1035    HE3  LYS 160           HE1      LYS 160   0.973 -18.318  14.448
 1036    HZ1  LYS 160           HZ1      LYS 160   2.477 -20.240  14.465
 1037    HZ2  LYS 160           HZ2      LYS 160   1.667 -20.918  13.159
 1038    HZ3  LYS 160           HZ3      LYS 160   0.882 -20.707  14.623
 1039    H    ARG 161           HN       ARG 161  -3.329 -17.120  16.213
 1040    HA   ARG 161           HA       ARG 161  -2.802 -14.500  17.235
 1041    HB2  ARG 161           HB2      ARG 161  -4.776 -14.204  15.736
 1042    HB3  ARG 161           HB1      ARG 161  -5.623 -15.417  16.679
 1043    HG2  ARG 161           HG2      ARG 161  -5.585 -14.021  18.617
 1044    HG3  ARG 161           HG1      ARG 161  -4.581 -12.827  17.787
 1045    HD2  ARG 161           HD2      ARG 161  -7.373 -13.644  17.010
 1046    HD3  ARG 161           HD1      ARG 161  -6.927 -12.147  17.831
 1047    HE   ARG 161           HE       ARG 161  -5.410 -12.177  15.563
 1048   HH11  ARG 161          HH11      ARG 161  -8.887 -12.279  16.228
 1049   HH12  ARG 161          HH12      ARG 161  -9.307 -11.526  14.755
 1050   HH21  ARG 161          HH21      ARG 161  -6.011 -11.169  13.596
 1051   HH22  ARG 161          HH22      ARG 161  -7.673 -10.873  13.259
  Start of MODEL    9
    1    H1   MET  22           HT1      MET  22  -4.460 -22.648   6.614
    2    H2   MET  22           HT2      MET  22  -4.428 -23.437   5.144
    3    H3   MET  22           HT3      MET  22  -5.777 -22.502   5.580
    4    HA   MET  22           HA       MET  22  -3.066 -21.489   5.101
    5    HB2  MET  22           HB2      MET  22  -5.587 -21.298   3.447
    6    HB3  MET  22           HB1      MET  22  -4.215 -20.225   3.226
    7    HG2  MET  22           HG2      MET  22  -4.180 -23.218   2.926
    8    HG3  MET  22           HG1      MET  22  -4.188 -22.039   1.614
    9    HE1  MET  22           HE1      MET  22  -2.048 -23.097   0.506
   10    HE2  MET  22           HE2      MET  22  -2.022 -24.335   1.763
   11    HE3  MET  22           HE3      MET  22  -0.555 -23.436   1.383
   12    H    ASP  23           HN       ASP  23  -2.621 -19.644   5.937
   13    HA   ASP  23           HA       ASP  23  -4.591 -18.335   7.635
   14    HB2  ASP  23           HB2      ASP  23  -1.696 -17.560   7.176
   15    HB3  ASP  23           HB1      ASP  23  -2.729 -17.085   8.519
   16    H    CYS  24           HN       CYS  24  -2.691 -17.779   4.875
   17    HA   CYS  24           HA       CYS  24  -4.005 -15.261   4.324
   18    HB2  CYS  24           HB2      CYS  24  -1.645 -16.644   3.046
   19    HB3  CYS  24           HB1      CYS  24  -2.325 -15.109   2.541
   20    HA   PRO  25           HA       PRO  25  -6.986 -16.960   1.416
   21    HB2  PRO  25           HB2      PRO  25  -5.942 -14.660  -0.186
   22    HB3  PRO  25           HB1      PRO  25  -7.628 -15.150   0.042
   23    HG2  PRO  25           HG2      PRO  25  -6.784 -13.157   1.426
   24    HG3  PRO  25           HG1      PRO  25  -7.641 -14.454   2.291
   25    HD2  PRO  25           HD2      PRO  25  -4.712 -13.884   2.215
   26    HD3  PRO  25           HD1      PRO  25  -5.732 -14.408   3.572
   27    H    SER  26           HN       SER  26  -4.019 -15.744  -0.191
   28    HA   SER  26           HA       SER  26  -3.891 -18.216  -1.727
   29    HB2  SER  26           HB2      SER  26  -3.691 -15.446  -2.984
   30    HB3  SER  26           HB1      SER  26  -3.602 -16.997  -3.812
   31    HG   SER  26           HG       SER  26  -5.745 -17.383  -2.995
   32    H    SER  27           HN       SER  27  -1.646 -17.984  -3.116
   33    HA   SER  27           HA       SER  27   0.352 -17.853  -1.072
   34    HB2  SER  27           HB2      SER  27   0.294 -19.634  -2.831
   35    HB3  SER  27           HB1      SER  27   0.699 -18.408  -4.028
   36    HG   SER  27           HG       SER  27   2.660 -18.103  -3.074
   37    H    THR  28           HN       THR  28  -0.719 -15.780  -3.596
   38    HA   THR  28           HA       THR  28   1.538 -14.100  -3.851
   39    HB   THR  28           HB       THR  28  -1.408 -13.549  -4.359
   40    HG1  THR  28           HG1      THR  28  -1.139 -14.651  -6.160
   41   HG21  THR  28          HG21      THR  28   1.052 -12.206  -5.542
   42   HG22  THR  28          HG22      THR  28  -0.072 -11.468  -4.405
   43   HG23  THR  28          HG23      THR  28  -0.614 -11.893  -6.016
   44    H    TRP  29           HN       TRP  29  -0.402 -14.629  -1.238
   45    HA   TRP  29           HA       TRP  29  -0.358 -11.957  -0.166
   46    HB2  TRP  29           HB2      TRP  29  -1.543 -14.570   0.725
   47    HB3  TRP  29           HB1      TRP  29  -1.523 -13.138   1.746
   48    HD1  TRP  29           HD1      TRP  29  -2.864 -14.242  -1.636
   49    HE1  TRP  29           HE1      TRP  29  -5.066 -12.939  -2.111
   50    HE3  TRP  29           HE3      TRP  29  -2.826 -11.432   2.380
   51    HZ2  TRP  29           HZ2      TRP  29  -6.536 -10.962  -0.855
   52    HZ3  TRP  29           HZ3      TRP  29  -4.723  -9.761   2.771
   53    HH2  TRP  29           HH2      TRP  29  -6.516  -9.585   1.168
   54    H    ILE  30           HN       ILE  30   1.082 -11.343   1.203
   55    HA   ILE  30           HA       ILE  30   3.225 -13.175   2.010
   56    HB   ILE  30           HB       ILE  30   3.138 -10.162   1.589
   57   HG12  ILE  30          HG12      ILE  30   4.407 -12.468   0.113
   58   HG13  ILE  30          HG11      ILE  30   3.066 -11.479  -0.422
   59   HG21  ILE  30          HG21      ILE  30   4.656 -10.712   3.448
   60   HG22  ILE  30          HG22      ILE  30   5.481 -10.084   2.035
   61   HG23  ILE  30          HG23      ILE  30   5.543 -11.818   2.385
   62   HD11  ILE  30          HD11      ILE  30   5.869 -10.589   0.020
   63   HD12  ILE  30          HD12      ILE  30   4.512  -9.565  -0.476
   64   HD13  ILE  30          HD13      ILE  30   5.066 -10.868  -1.529
   65    H    GLN  31           HN       GLN  31   3.221 -13.757   4.112
   66    HA   GLN  31           HA       GLN  31   1.608 -12.189   5.944
   67    HB2  GLN  31           HB2      GLN  31   1.522 -14.730   5.811
   68    HB3  GLN  31           HB1      GLN  31   3.098 -14.722   6.598
   69    HG2  GLN  31           HG2      GLN  31   2.097 -13.443   8.462
   70    HG3  GLN  31           HG1      GLN  31   0.526 -13.611   7.684
   71   HE21  GLN  31          HE21      GLN  31   2.963 -15.131   9.541
   72   HE22  GLN  31          HE22      GLN  31   2.108 -16.601   9.806
   73    H    PHE  32           HN       PHE  32   2.416 -10.959   7.504
   74    HA   PHE  32           HA       PHE  32   5.235 -11.116   8.194
   75    HB2  PHE  32           HB2      PHE  32   5.002  -9.523   6.363
   76    HB3  PHE  32           HB1      PHE  32   3.767  -8.665   7.251
   77    HD1  PHE  32           HD2      PHE  32   7.328  -9.617   7.291
   78    HD2  PHE  32           HD1      PHE  32   4.334  -6.983   8.667
   79    HE1  PHE  32           HE2      PHE  32   9.077  -8.131   8.163
   80    HE2  PHE  32           HE1      PHE  32   6.071  -5.463   9.564
   81    HZ   PHE  32           HZ       PHE  32   8.468  -6.046   9.270
   82    H    GLN  33           HN       GLN  33   5.320 -11.250  10.273
   83    HA   GLN  33           HA       GLN  33   4.909 -11.220  12.439
   84    HB2  GLN  33           HB2      GLN  33   3.503  -8.616  11.848
   85    HB3  GLN  33           HB1      GLN  33   3.854  -9.199  13.464
   86    HG2  GLN  33           HG2      GLN  33   6.253  -9.177  12.941
   87    HG3  GLN  33           HG1      GLN  33   5.877  -8.537  11.341
   88   HE21  GLN  33          HE21      GLN  33   7.089  -6.686  11.791
   89   HE22  GLN  33          HE22      GLN  33   6.488  -5.414  12.782
   90    H    ASP  34           HN       ASP  34   1.816  -9.743  11.644
   91    HA   ASP  34           HA       ASP  34   0.469 -12.262  12.187
   92    HB2  ASP  34           HB2      ASP  34  -1.043 -11.287  13.839
   93    HB3  ASP  34           HB1      ASP  34   0.616 -11.226  14.421
   94    H    SER  35           HN       SER  35   0.876 -10.405   9.930
   95    HA   SER  35           HA       SER  35  -1.936 -10.238   9.216
   96    HB2  SER  35           HB2      SER  35   0.028  -8.041   8.734
   97    HB3  SER  35           HB1      SER  35  -1.574  -8.103   8.094
   98    HG   SER  35           HG       SER  35  -1.522  -8.495  10.816
   99    H    CYS  36           HN       CYS  36  -2.215  -9.997   6.921
  100    HA   CYS  36           HA       CYS  36   0.068 -10.959   5.303
  101    HB2  CYS  36           HB2      CYS  36  -1.997 -12.585   5.927
  102    HB3  CYS  36           HB1      CYS  36  -2.722 -11.618   4.644
  103    H    TYR  37           HN       TYR  37   0.356 -10.282   3.514
  104    HA   TYR  37           HA       TYR  37  -0.853  -7.682   2.925
  105    HB2  TYR  37           HB2      TYR  37   1.887  -8.769   2.985
  106    HB3  TYR  37           HB1      TYR  37   1.582  -7.281   2.204
  107    HD1  TYR  37           HD1      TYR  37   1.710  -9.028   5.131
  108    HD2  TYR  37           HD2      TYR  37   0.949  -5.396   3.465
  109    HE1  TYR  37           HE1      TYR  37   1.936  -8.098   7.403
  110    HE2  TYR  37           HE2      TYR  37   1.136  -4.250   5.713
  111    HH   TYR  37           HH       TYR  37   2.574  -5.129   7.865
  112    H    ILE  38           HN       ILE  38  -1.293  -7.225   0.868
  113    HA   ILE  38           HA       ILE  38  -0.046  -8.665  -1.287
  114    HB   ILE  38           HB       ILE  38  -2.000 -10.077  -0.834
  115   HG12  ILE  38          HG12      ILE  38  -2.258  -8.459  -3.384
  116   HG13  ILE  38          HG11      ILE  38  -1.211  -9.848  -3.141
  117   HG21  ILE  38          HG21      ILE  38  -3.582  -7.574  -1.302
  118   HG22  ILE  38          HG22      ILE  38  -3.452  -8.489   0.205
  119   HG23  ILE  38          HG23      ILE  38  -4.255  -9.200  -1.200
  120   HD11  ILE  38          HD11      ILE  38  -3.140 -11.253  -2.792
  121   HD12  ILE  38          HD12      ILE  38  -3.196 -10.458  -4.375
  122   HD13  ILE  38          HD13      ILE  38  -4.209  -9.871  -3.038
  123    H    PHE  39           HN       PHE  39   0.283  -7.405  -3.056
  124    HA   PHE  39           HA       PHE  39  -0.958  -4.729  -2.976
  125    HB2  PHE  39           HB2      PHE  39   1.669  -5.347  -3.523
  126    HB3  PHE  39           HB1      PHE  39   0.934  -5.465  -5.053
  127    HD1  PHE  39           HD1      PHE  39   0.514  -3.060  -2.298
  128    HD2  PHE  39           HD2      PHE  39   1.217  -3.701  -6.395
  129    HE1  PHE  39           HE1      PHE  39   0.554  -0.643  -2.646
  130    HE2  PHE  39           HE2      PHE  39   1.259  -1.259  -6.765
  131    HZ   PHE  39           HZ       PHE  39   0.922   0.265  -4.898
  132    H    LEU  40           HN       LEU  40  -2.586  -4.499  -4.328
  133    HA   LEU  40           HA       LEU  40  -2.281  -6.076  -6.578
  134    HB2  LEU  40           HB2      LEU  40  -4.922  -5.831  -6.663
  135    HB3  LEU  40           HB1      LEU  40  -4.125  -7.240  -5.989
  136    HG   LEU  40           HG       LEU  40  -6.020  -6.610  -4.658
  137   HD11  LEU  40          HD11      LEU  40  -3.498  -5.895  -3.260
  138   HD12  LEU  40          HD12      LEU  40  -4.164  -7.494  -3.429
  139   HD13  LEU  40          HD13      LEU  40  -5.014  -6.276  -2.454
  140   HD21  LEU  40          HD21      LEU  40  -6.247  -4.260  -5.243
  141   HD22  LEU  40          HD22      LEU  40  -4.784  -3.877  -4.342
  142   HD23  LEU  40          HD23      LEU  40  -6.215  -4.455  -3.491
  143    H    GLN  41           HN       GLN  41  -1.479  -4.698  -7.857
  144    HA   GLN  41           HA       GLN  41  -2.501  -2.102  -8.053
  145    HB2  GLN  41           HB2      GLN  41  -0.865  -3.681 -10.034
  146    HB3  GLN  41           HB1      GLN  41  -1.328  -1.998 -10.301
  147    HG2  GLN  41           HG2      GLN  41  -0.308  -1.409  -8.156
  148    HG3  GLN  41           HG1      GLN  41   0.237  -3.071  -7.991
  149   HE21  GLN  41          HE21      GLN  41   2.452  -2.310  -7.815
  150   HE22  GLN  41          HE22      GLN  41   3.201  -1.713  -9.263
  151    H    GLU  42           HN       GLU  42  -4.565  -2.087  -8.132
  152    HA   GLU  42           HA       GLU  42  -6.064  -3.066 -10.467
  153    HB2  GLU  42           HB2      GLU  42  -6.875  -2.330  -7.685
  154    HB3  GLU  42           HB1      GLU  42  -8.041  -2.644  -8.933
  155    HG2  GLU  42           HG2      GLU  42  -5.999  -4.705  -8.073
  156    HG3  GLU  42           HG1      GLU  42  -7.596  -4.602  -7.351
  157    H    ALA  43           HN       ALA  43  -6.260  -1.432 -11.848
  158    HA   ALA  43           HA       ALA  43  -6.271   1.356 -10.970
  159    HB1  ALA  43           HB1      ALA  43  -5.169   0.785 -13.094
  160    HB2  ALA  43           HB2      ALA  43  -6.533   1.868 -13.370
  161    HB3  ALA  43           HB3      ALA  43  -6.690   0.148 -13.714
  162    H    ILE  44           HN       ILE  44  -8.065   2.205 -10.223
  163    HA   ILE  44           HA       ILE  44 -10.632   1.444 -11.363
  164    HB   ILE  44           HB       ILE  44 -11.747   1.062  -9.264
  165   HG12  ILE  44          HG12      ILE  44  -9.120   1.284  -7.815
  166   HG13  ILE  44          HG11      ILE  44 -10.280   2.605  -7.942
  167   HG21  ILE  44          HG21      ILE  44 -10.802  -0.950 -10.218
  168   HG22  ILE  44          HG22      ILE  44 -10.703  -1.028  -8.459
  169   HG23  ILE  44          HG23      ILE  44  -9.277  -0.650  -9.400
  170   HD11  ILE  44          HD11      ILE  44 -10.769  -0.076  -6.691
  171   HD12  ILE  44          HD12      ILE  44 -11.956   1.209  -6.890
  172   HD13  ILE  44          HD13      ILE  44 -10.558   1.464  -5.844
  173    H    LYS  45           HN       LYS  45 -12.325   2.918 -10.836
  174    HA   LYS  45           HA       LYS  45 -11.490   5.563 -10.684
  175    HB2  LYS  45           HB2      LYS  45 -13.497   4.834 -11.884
  176    HB3  LYS  45           HB1      LYS  45 -14.230   4.333 -10.364
  177    HG2  LYS  45           HG2      LYS  45 -15.118   6.471 -11.079
  178    HG3  LYS  45           HG1      LYS  45 -14.174   6.626  -9.587
  179    HD2  LYS  45           HD2      LYS  45 -12.278   7.415 -10.819
  180    HD3  LYS  45           HD1      LYS  45 -13.124   7.204 -12.350
  181    HE2  LYS  45           HE2      LYS  45 -14.696   8.830 -11.769
  182    HE3  LYS  45           HE1      LYS  45 -14.054   9.005 -10.136
  183    HZ1  LYS  45           HZ1      LYS  45 -13.338  10.788 -11.629
  184    HZ2  LYS  45           HZ2      LYS  45 -12.549   9.681 -12.625
  185    HZ3  LYS  45           HZ3      LYS  45 -12.046   9.913 -11.035
  186    H    VAL  46           HN       VAL  46 -10.689   6.309  -8.856
  187    HA   VAL  46           HA       VAL  46 -11.843   5.489  -6.309
  188    HB   VAL  46           HB       VAL  46  -9.213   6.909  -6.801
  189   HG11  VAL  46          HG11      VAL  46 -10.196   7.353  -4.589
  190   HG12  VAL  46          HG12      VAL  46  -8.721   6.405  -4.487
  191   HG13  VAL  46          HG13      VAL  46 -10.286   5.628  -4.295
  192   HG21  VAL  46          HG21      VAL  46  -9.149   4.730  -7.736
  193   HG22  VAL  46          HG22      VAL  46  -9.850   4.045  -6.267
  194   HG23  VAL  46          HG23      VAL  46  -8.213   4.731  -6.227
  195    H    GLU  47           HN       GLU  47 -13.202   6.746  -5.567
  196    HA   GLU  47           HA       GLU  47 -13.231   9.555  -6.290
  197    HB2  GLU  47           HB2      GLU  47 -15.290   7.728  -5.065
  198    HB3  GLU  47           HB1      GLU  47 -15.448   9.454  -5.355
  199    HG2  GLU  47           HG2      GLU  47 -14.641   7.703  -7.327
  200    HG3  GLU  47           HG1      GLU  47 -16.406   7.839  -7.101
  201    H    SER  48           HN       SER  48 -12.945   7.333  -3.676
  202    HA   SER  48           HA       SER  48 -12.072   9.422  -1.861
  203    HB2  SER  48           HB2      SER  48 -14.203   7.364  -1.367
  204    HB3  SER  48           HB1      SER  48 -13.283   8.209  -0.121
  205    HG   SER  48           HG       SER  48 -14.020  10.148  -1.002
  206    H    ILE  49           HN       ILE  49 -10.867   8.391  -0.067
  207    HA   ILE  49           HA       ILE  49  -9.251   6.383  -1.119
  208    HB   ILE  49           HB       ILE  49  -8.506   8.009   0.589
  209   HG12  ILE  49          HG12      ILE  49  -8.202   5.065   1.184
  210   HG13  ILE  49          HG11      ILE  49  -7.414   5.983   0.148
  211   HG21  ILE  49          HG21      ILE  49 -10.306   6.332   2.155
  212   HG22  ILE  49          HG22      ILE  49 -10.336   8.138   1.994
  213   HG23  ILE  49          HG23      ILE  49  -9.030   7.295   2.922
  214   HD11  ILE  49          HD11      ILE  49  -7.190   6.817   3.027
  215   HD12  ILE  49          HD12      ILE  49  -6.367   7.515   1.674
  216   HD13  ILE  49          HD13      ILE  49  -5.970   5.870   2.164
  217    H    GLU  50           HN       GLU  50 -12.001   6.426   0.655
  218    HA   GLU  50           HA       GLU  50 -12.338   3.799   1.608
  219    HB2  GLU  50           HB2      GLU  50 -14.486   5.489   0.332
  220    HB3  GLU  50           HB1      GLU  50 -14.750   4.148   1.429
  221    HG2  GLU  50           HG2      GLU  50 -13.401   6.742   2.139
  222    HG3  GLU  50           HG1      GLU  50 -15.078   6.328   2.473
  223    H    ASP  51           HN       ASP  51 -12.524   5.079  -1.712
  224    HA   ASP  51           HA       ASP  51 -13.743   2.828  -2.889
  225    HB2  ASP  51           HB2      ASP  51 -12.268   5.227  -3.872
  226    HB3  ASP  51           HB1      ASP  51 -12.680   3.960  -4.937
  227    H    VAL  52           HN       VAL  52 -10.524   3.775  -2.065
  228    HA   VAL  52           HA       VAL  52  -9.435   1.843  -3.899
  229    HB   VAL  52           HB       VAL  52  -8.220   3.937  -4.011
  230   HG11  VAL  52          HG11      VAL  52  -7.389   5.169  -2.278
  231   HG12  VAL  52          HG12      VAL  52  -8.288   4.098  -1.155
  232   HG13  VAL  52          HG13      VAL  52  -9.140   4.974  -2.440
  233   HG21  VAL  52          HG21      VAL  52  -6.822   1.903  -2.354
  234   HG22  VAL  52          HG22      VAL  52  -6.018   3.386  -2.882
  235   HG23  VAL  52          HG23      VAL  52  -6.582   2.228  -4.088
  236    H    ARG  53           HN       ARG  53  -9.928   2.514  -0.552
  237    HA   ARG  53           HA       ARG  53  -8.431   0.401   0.376
  238    HB2  ARG  53           HB2      ARG  53  -9.619   1.024   2.549
  239    HB3  ARG  53           HB1      ARG  53  -9.151   2.443   1.652
  240    HG2  ARG  53           HG2      ARG  53 -11.110   2.742   2.632
  241    HG3  ARG  53           HG1      ARG  53 -11.453   2.380   0.894
  242    HD2  ARG  53           HD2      ARG  53 -12.874   0.720   1.666
  243    HD3  ARG  53           HD1      ARG  53 -11.296   0.149   1.914
  244    HE   ARG  53           HE       ARG  53 -11.201   0.822   4.213
  245   HH11  ARG  53          HH11      ARG  53 -14.409   0.354   2.753
  246   HH12  ARG  53          HH12      ARG  53 -15.162  -0.066   4.215
  247   HH21  ARG  53          HH21      ARG  53 -12.287   0.215   6.220
  248   HH22  ARG  53          HH22      ARG  53 -13.957  -0.113   6.219
  249    H    ASN  54           HN       ASN  54 -11.393   0.656  -1.215
  250    HA   ASN  54           HA       ASN  54 -12.850  -1.656  -0.450
  251    HB2  ASN  54           HB2      ASN  54 -12.752   0.027  -2.872
  252    HB3  ASN  54           HB1      ASN  54 -13.665  -1.485  -2.936
  253   HD21  ASN  54          HD21      ASN  54 -14.702   1.055  -3.358
  254   HD22  ASN  54          HD22      ASN  54 -15.831   1.437  -2.122
  255    H    GLN  55           HN       GLN  55 -10.166  -1.119  -2.436
  256    HA   GLN  55           HA       GLN  55 -10.236  -3.477  -4.020
  257    HB2  GLN  55           HB2      GLN  55  -7.818  -1.911  -3.108
  258    HB3  GLN  55           HB1      GLN  55  -7.865  -3.063  -4.433
  259    HG2  GLN  55           HG2      GLN  55  -9.469  -1.623  -5.592
  260    HG3  GLN  55           HG1      GLN  55  -9.390  -0.497  -4.284
  261   HE21  GLN  55          HE21      GLN  55  -8.667   1.155  -5.604
  262   HE22  GLN  55          HE22      GLN  55  -7.033   1.229  -6.169
  263    H    CYS  56           HN       CYS  56  -8.887  -2.704  -0.866
  264    HA   CYS  56           HA       CYS  56  -7.746  -5.273  -0.605
  265    HB2  CYS  56           HB2      CYS  56  -8.072  -3.112   1.484
  266    HB3  CYS  56           HB1      CYS  56  -7.209  -4.590   1.545
  267    H    THR  57           HN       THR  57 -10.592  -3.580   0.627
  268    HA   THR  57           HA       THR  57 -11.325  -5.610   2.416
  269    HB   THR  57           HB       THR  57 -13.496  -4.461   2.495
  270    HG1  THR  57           HG1      THR  57 -14.036  -3.386   0.755
  271   HG21  THR  57          HG21      THR  57 -11.078  -2.686   2.474
  272   HG22  THR  57          HG22      THR  57 -11.650  -3.644   3.833
  273   HG23  THR  57          HG23      THR  57 -12.607  -2.266   3.255
  274    H    ASP  58           HN       ASP  58 -11.563  -5.244  -0.861
  275    HA   ASP  58           HA       ASP  58 -13.687  -7.020  -1.529
  276    HB2  ASP  58           HB2      ASP  58 -12.715  -5.489  -3.189
  277    HB3  ASP  58           HB1      ASP  58 -11.180  -6.320  -3.064
  278    H    HIS  59           HN       HIS  59 -10.498  -7.504  -0.361
  279    HA   HIS  59           HA       HIS  59 -10.601 -10.368  -1.000
  280    HB2  HIS  59           HB2      HIS  59  -8.156  -8.761  -0.175
  281    HB3  HIS  59           HB1      HIS  59  -8.283 -10.464  -0.525
  282    HD1  HIS  59           HD1      HIS  59  -7.710 -11.168  -2.891
  283    HD2  HIS  59           HD2      HIS  59  -8.566  -7.129  -2.560
  284    HE1  HIS  59           HE1      HIS  59  -7.118 -10.140  -5.124
  285    HE2  HIS  59           HE2      HIS  59  -8.060  -7.852  -4.964
  286    H    GLY  60           HN       GLY  60 -11.721  -8.584   1.291
  287    HA2  GLY  60           HA2      GLY  60 -12.149  -9.021   3.523
  288    HA3  GLY  60           HA1      GLY  60 -11.202 -10.496   3.317
  289    H    ALA  61           HN       ALA  61  -9.808  -7.575   2.385
  290    HA   ALA  61           HA       ALA  61  -8.104  -7.602   4.789
  291    HB1  ALA  61           HB1      ALA  61  -6.243  -6.861   3.343
  292    HB2  ALA  61           HB2      ALA  61  -7.309  -6.961   1.938
  293    HB3  ALA  61           HB3      ALA  61  -6.886  -8.418   2.821
  294    H    ASP  62           HN       ASP  62  -6.862  -5.351   4.794
  295    HA   ASP  62           HA       ASP  62  -8.635  -3.208   3.993
  296    HB2  ASP  62           HB2      ASP  62  -7.975  -2.031   6.187
  297    HB3  ASP  62           HB1      ASP  62  -9.158  -3.319   6.320
  298    H    MET  63           HN       MET  63  -7.278  -1.046   4.172
  299    HA   MET  63           HA       MET  63  -4.952  -1.674   2.639
  300    HB2  MET  63           HB2      MET  63  -5.990   0.996   3.585
  301    HB3  MET  63           HB1      MET  63  -4.498   0.806   2.680
  302    HG2  MET  63           HG2      MET  63  -5.734  -0.085   0.785
  303    HG3  MET  63           HG1      MET  63  -7.211   0.006   1.755
  304    HE1  MET  63           HE1      MET  63  -4.372   2.262  -0.217
  305    HE2  MET  63           HE2      MET  63  -4.193   2.514   1.511
  306    HE3  MET  63           HE3      MET  63  -4.849   3.791   0.505
  307    H    ILE  64           HN       ILE  64  -2.944  -1.428   3.045
  308    HA   ILE  64           HA       ILE  64  -1.656  -2.361   5.156
  309    HB   ILE  64           HB       ILE  64  -0.417  -2.030   3.283
  310   HG12  ILE  64          HG12      ILE  64   0.357   0.038   5.220
  311   HG13  ILE  64          HG11      ILE  64   0.989  -1.680   5.192
  312   HG21  ILE  64          HG21      ILE  64  -1.683  -0.375   2.152
  313   HG22  ILE  64          HG22      ILE  64  -0.007   0.159   2.188
  314   HG23  ILE  64          HG23      ILE  64  -1.186   0.872   3.295
  315   HD11  ILE  64          HD11      ILE  64   2.668  -0.080   4.447
  316   HD12  ILE  64          HD12      ILE  64   1.557   0.483   3.171
  317   HD13  ILE  64          HD13      ILE  64   2.137  -1.179   3.189
  318    H    SER  65           HN       SER  65  -0.859  -1.781   7.144
  319    HA   SER  65           HA       SER  65  -1.039   0.974   7.947
  320    HB2  SER  65           HB2      SER  65  -2.396  -1.287   9.404
  321    HB3  SER  65           HB1      SER  65  -2.208   0.358  10.037
  322    HG   SER  65           HG       SER  65  -3.464  -0.157   7.531
  323    H    ILE  66           HN       ILE  66   0.673   1.566   9.013
  324    HA   ILE  66           HA       ILE  66   2.710  -0.429   9.699
  325    HB   ILE  66           HB       ILE  66   2.946   2.506   9.068
  326   HG12  ILE  66          HG12      ILE  66   3.611   0.009   7.465
  327   HG13  ILE  66          HG11      ILE  66   2.260   1.095   7.183
  328   HG21  ILE  66          HG21      ILE  66   5.355   2.093   8.995
  329   HG22  ILE  66          HG22      ILE  66   5.065   0.489   9.690
  330   HG23  ILE  66          HG23      ILE  66   4.639   1.936  10.586
  331   HD11  ILE  66          HD11      ILE  66   4.096   1.380   5.600
  332   HD12  ILE  66          HD12      ILE  66   5.148   1.866   6.940
  333   HD13  ILE  66          HD13      ILE  66   3.744   2.840   6.518
  334    H    HIS  67           HN       HIS  67   3.242  -0.815  11.636
  335    HA   HIS  67           HA       HIS  67   2.839   1.272  13.653
  336    HB2  HIS  67           HB2      HIS  67   2.597  -1.728  14.038
  337    HB3  HIS  67           HB1      HIS  67   2.491  -0.528  15.312
  338    HD1  HIS  67           HD1      HIS  67   0.201   0.299  15.829
  339    HD2  HIS  67           HD2      HIS  67   0.404  -1.401  12.056
  340    HE1  HIS  67           HE1      HIS  67  -2.133   0.351  14.935
  341    HE2  HIS  67           HE2      HIS  67  -1.943  -1.250  12.997
  342    H    ASN  68           HN       ASN  68   5.188   0.069  11.831
  343    HA   ASN  68           HA       ASN  68   7.229   0.783  13.584
  344    HB2  ASN  68           HB2      ASN  68   8.368  -1.548  13.118
  345    HB3  ASN  68           HB1      ASN  68   7.665  -1.286  14.654
  346   HD21  ASN  68          HD21      ASN  68   5.524  -2.322  14.955
  347   HD22  ASN  68          HD22      ASN  68   5.056  -3.665  13.985
  348    H    GLU  69           HN       GLU  69   9.374   0.538  12.632
  349    HA   GLU  69           HA       GLU  69   9.171   1.140   9.918
  350    HB2  GLU  69           HB2      GLU  69  11.535   1.226   9.941
  351    HB3  GLU  69           HB1      GLU  69  10.881   2.163  11.307
  352    HG2  GLU  69           HG2      GLU  69  11.449   0.230  12.715
  353    HG3  GLU  69           HG1      GLU  69  12.167  -0.544  11.321
  354    H    GLU  70           HN       GLU  70   9.475  -1.834  11.742
  355    HA   GLU  70           HA       GLU  70  10.838  -3.256   9.864
  356    HB2  GLU  70           HB2      GLU  70   9.327  -3.566  12.231
  357    HB3  GLU  70           HB1      GLU  70   8.920  -4.842  11.134
  358    HG2  GLU  70           HG2      GLU  70  11.686  -4.097  12.084
  359    HG3  GLU  70           HG1      GLU  70  10.736  -5.456  12.681
  360    H    GLU  71           HN       GLU  71   7.400  -2.614  10.474
  361    HA   GLU  71           HA       GLU  71   6.182  -3.935   8.313
  362    HB2  GLU  71           HB2      GLU  71   5.277  -2.286  10.367
  363    HB3  GLU  71           HB1      GLU  71   5.208  -1.255   8.961
  364    HG2  GLU  71           HG2      GLU  71   3.577  -3.770   9.412
  365    HG3  GLU  71           HG1      GLU  71   3.091  -2.099   9.084
  366    H    ASN  72           HN       ASN  72   7.261  -0.559   8.703
  367    HA   ASN  72           HA       ASN  72   6.392   0.439   6.321
  368    HB2  ASN  72           HB2      ASN  72   7.155   1.864   8.185
  369    HB3  ASN  72           HB1      ASN  72   8.793   1.257   7.938
  370   HD21  ASN  72          HD21      ASN  72   9.987   2.007   6.256
  371   HD22  ASN  72          HD22      ASN  72   9.516   3.399   5.343
  372    H    ALA  73           HN       ALA  73   9.593  -0.644   7.190
  373    HA   ALA  73           HA       ALA  73  10.611  -0.291   4.575
  374    HB1  ALA  73           HB1      ALA  73  11.907   0.121   6.496
  375    HB2  ALA  73           HB2      ALA  73  12.683  -1.171   5.550
  376    HB3  ALA  73           HB3      ALA  73  11.757  -1.539   7.047
  377    H    PHE  74           HN       PHE  74   9.033  -2.929   6.179
  378    HA   PHE  74           HA       PHE  74   9.850  -5.113   4.562
  379    HB2  PHE  74           HB2      PHE  74   8.364  -5.690   6.603
  380    HB3  PHE  74           HB1      PHE  74   7.374  -4.397   5.996
  381    HD1  PHE  74           HD2      PHE  74   8.631  -7.674   4.745
  382    HD2  PHE  74           HD1      PHE  74   5.514  -4.953   5.481
  383    HE1  PHE  74           HE2      PHE  74   6.994  -9.293   3.851
  384    HE2  PHE  74           HE1      PHE  74   3.963  -6.364   4.700
  385    HZ   PHE  74           HZ       PHE  74   4.593  -8.669   3.807
  386    H    ILE  75           HN       ILE  75   7.279  -2.861   4.482
  387    HA   ILE  75           HA       ILE  75   5.691  -3.821   2.274
  388    HB   ILE  75           HB       ILE  75   6.032  -1.036   3.396
  389   HG12  ILE  75          HG12      ILE  75   5.509  -2.772   5.030
  390   HG13  ILE  75          HG11      ILE  75   4.245  -1.609   5.038
  391   HG21  ILE  75          HG21      ILE  75   3.859  -0.645   2.583
  392   HG22  ILE  75          HG22      ILE  75   3.817  -2.271   1.870
  393   HG23  ILE  75          HG23      ILE  75   4.962  -1.053   1.254
  394   HD11  ILE  75          HD11      ILE  75   4.287  -4.333   3.829
  395   HD12  ILE  75          HD12      ILE  75   2.995  -3.139   3.557
  396   HD13  ILE  75          HD13      ILE  75   3.375  -3.678   5.204
  397    H    LEU  76           HN       LEU  76   8.078  -1.630   2.791
  398    HA   LEU  76           HA       LEU  76   8.344  -0.390   0.402
  399    HB2  LEU  76           HB2      LEU  76   9.326  -0.363   2.812
  400    HB3  LEU  76           HB1      LEU  76  10.695  -1.033   1.986
  401    HG   LEU  76           HG       LEU  76  10.100   1.025   0.363
  402   HD11  LEU  76          HD11      LEU  76   8.791   1.785   2.888
  403   HD12  LEU  76          HD12      LEU  76   8.007   1.238   1.436
  404   HD13  LEU  76          HD13      LEU  76   8.917   2.763   1.416
  405   HD21  LEU  76          HD21      LEU  76  11.242   1.640   3.067
  406   HD22  LEU  76          HD22      LEU  76  11.320   2.582   1.550
  407   HD23  LEU  76          HD23      LEU  76  12.161   1.028   1.659
  408    H    ASP  77           HN       ASP  77   9.997  -3.246   1.612
  409    HA   ASP  77           HA       ASP  77  11.403  -3.641  -0.986
  410    HB2  ASP  77           HB2      ASP  77  12.602  -5.390   0.062
  411    HB3  ASP  77           HB1      ASP  77  12.359  -4.194   1.449
  412    H    THR  78           HN       THR  78   8.778  -4.830   0.648
  413    HA   THR  78           HA       THR  78   8.807  -7.370  -0.607
  414    HB   THR  78           HB       THR  78   7.028  -5.931   1.266
  415    HG1  THR  78           HG1      THR  78   8.737  -6.712   2.212
  416   HG21  THR  78          HG21      THR  78   6.582  -8.701   0.176
  417   HG22  THR  78          HG22      THR  78   5.563  -7.293  -0.129
  418   HG23  THR  78          HG23      THR  78   5.682  -7.960   1.505
  419    H    LEU  79           HN       LEU  79   7.344  -4.377  -1.019
  420    HA   LEU  79           HA       LEU  79   5.286  -4.866  -2.623
  421    HB2  LEU  79           HB2      LEU  79   6.489  -2.838  -1.567
  422    HB3  LEU  79           HB1      LEU  79   7.047  -2.570  -3.173
  423    HG   LEU  79           HG       LEU  79   5.111  -1.329  -3.093
  424   HD11  LEU  79          HD11      LEU  79   3.283  -2.437  -4.149
  425   HD12  LEU  79          HD12      LEU  79   3.833  -3.973  -3.505
  426   HD13  LEU  79          HD13      LEU  79   4.786  -3.177  -4.762
  427   HD21  LEU  79          HD21      LEU  79   3.143  -2.001  -1.639
  428   HD22  LEU  79          HD22      LEU  79   4.628  -1.619  -0.816
  429   HD23  LEU  79          HD23      LEU  79   4.169  -3.316  -1.027
  430    H    LYS  80           HN       LYS  80   8.502  -3.821  -3.520
  431    HA   LYS  80           HA       LYS  80   8.413  -4.413  -6.286
  432    HB2  LYS  80           HB2      LYS  80  10.630  -3.912  -4.382
  433    HB3  LYS  80           HB1      LYS  80  10.854  -3.884  -6.156
  434    HG2  LYS  80           HG2      LYS  80  10.230  -1.724  -6.085
  435    HG3  LYS  80           HG1      LYS  80   8.658  -2.295  -5.524
  436    HD2  LYS  80           HD2      LYS  80   9.439  -0.784  -4.001
  437    HD3  LYS  80           HD1      LYS  80   9.522  -2.360  -3.263
  438    HE2  LYS  80           HE2      LYS  80  11.881  -2.590  -3.623
  439    HE3  LYS  80           HE1      LYS  80  11.971  -1.087  -4.546
  440    HZ1  LYS  80           HZ1      LYS  80  11.231  -1.253  -1.662
  441    HZ2  LYS  80           HZ2      LYS  80  11.745   0.155  -2.505
  442    HZ3  LYS  80           HZ3      LYS  80  12.798  -1.083  -2.204
  443    H    LYS  81           HN       LYS  81   9.081  -6.337  -3.582
  444    HA   LYS  81           HA       LYS  81  10.950  -8.164  -4.728
  445    HB2  LYS  81           HB2      LYS  81  10.841  -7.517  -2.424
  446    HB3  LYS  81           HB1      LYS  81   9.271  -8.257  -2.286
  447    HG2  LYS  81           HG2      LYS  81  10.221 -10.422  -2.624
  448    HG3  LYS  81           HG1      LYS  81  11.779  -9.666  -2.981
  449    HD2  LYS  81           HD2      LYS  81  12.043 -10.169  -0.665
  450    HD3  LYS  81           HD1      LYS  81  11.455  -8.544  -0.694
  451    HE2  LYS  81           HE2      LYS  81   9.186  -9.455  -0.637
  452    HE3  LYS  81           HE1      LYS  81   9.876 -10.989  -0.197
  453    HZ1  LYS  81           HZ1      LYS  81  10.478  -8.525   1.349
  454    HZ2  LYS  81           HZ2      LYS  81  10.901 -10.096   1.783
  455    HZ3  LYS  81           HZ3      LYS  81   9.300  -9.621   1.829
  456    H    GLN  82           HN       GLN  82   7.633  -8.428  -3.735
  457    HA   GLN  82           HA       GLN  82   7.350 -11.036  -5.100
  458    HB2  GLN  82           HB2      GLN  82   6.558 -10.612  -2.806
  459    HB3  GLN  82           HB1      GLN  82   5.345  -9.530  -3.478
  460    HG2  GLN  82           HG2      GLN  82   4.259 -11.631  -3.121
  461    HG3  GLN  82           HG1      GLN  82   4.525 -11.451  -4.837
  462   HE21  GLN  82          HE21      GLN  82   5.882 -12.954  -1.959
  463   HE22  GLN  82          HE22      GLN  82   6.580 -14.286  -2.801
  464    H    TRP  83           HN       TRP  83   6.032  -7.770  -5.136
  465    HA   TRP  83           HA       TRP  83   4.397  -8.513  -7.421
  466    HB2  TRP  83           HB2      TRP  83   4.057  -6.143  -5.513
  467    HB3  TRP  83           HB1      TRP  83   2.909  -6.719  -6.723
  468    HD1  TRP  83           HD1      TRP  83   2.081  -9.503  -6.100
  469    HE1  TRP  83           HE1      TRP  83   1.349 -10.332  -3.722
  470    HE3  TRP  83           HE3      TRP  83   4.140  -5.928  -3.354
  471    HZ2  TRP  83           HZ2      TRP  83   1.589  -9.512  -1.093
  472    HZ3  TRP  83           HZ3      TRP  83   3.895  -5.918  -0.853
  473    HH2  TRP  83           HH2      TRP  83   2.636  -7.662   0.260
  474    H    LYS  84           HN       LYS  84   4.024  -5.808  -8.286
  475    HA   LYS  84           HA       LYS  84   6.438  -5.396  -9.783
  476    HB2  LYS  84           HB2      LYS  84   4.053  -3.590  -9.459
  477    HB3  LYS  84           HB1      LYS  84   5.354  -3.387 -10.618
  478    HG2  LYS  84           HG2      LYS  84   4.685  -5.326 -11.816
  479    HG3  LYS  84           HG1      LYS  84   3.526  -5.771 -10.561
  480    HD2  LYS  84           HD2      LYS  84   2.331  -4.727 -12.397
  481    HD3  LYS  84           HD1      LYS  84   2.309  -3.662 -10.988
  482    HE2  LYS  84           HE2      LYS  84   4.221  -2.400 -11.993
  483    HE3  LYS  84           HE1      LYS  84   4.051  -3.393 -13.436
  484    HZ1  LYS  84           HZ1      LYS  84   2.900  -1.256 -13.634
  485    HZ2  LYS  84           HZ2      LYS  84   1.937  -1.623 -12.320
  486    HZ3  LYS  84           HZ3      LYS  84   1.807  -2.528 -13.729
  487    H    GLY  85           HN       GLY  85   4.808  -3.038  -7.775
  488    HA2  GLY  85           HA2      GLY  85   5.520  -1.978  -6.248
  489    HA3  GLY  85           HA1      GLY  85   7.057  -2.076  -6.165
  490    HA   PRO  86           HA       PRO  86   5.865   1.475  -8.825
  491    HB2  PRO  86           HB2      PRO  86   4.073   2.920  -7.464
  492    HB3  PRO  86           HB1      PRO  86   3.722   1.372  -8.326
  493    HG2  PRO  86           HG2      PRO  86   3.870   1.715  -5.386
  494    HG3  PRO  86           HG1      PRO  86   2.855   0.675  -6.421
  495    HD2  PRO  86           HD2      PRO  86   5.363  -0.002  -5.204
  496    HD3  PRO  86           HD1      PRO  86   4.194  -0.909  -6.162
  497    H    ASP  87           HN       ASP  87   6.182   3.911  -8.115
  498    HA   ASP  87           HA       ASP  87   8.620   4.024  -6.637
  499    HB2  ASP  87           HB2      ASP  87   6.818   6.219  -7.659
  500    HB3  ASP  87           HB1      ASP  87   8.305   6.553  -6.782
  501    H    ASP  88           HN       ASP  88   5.314   4.576  -5.889
  502    HA   ASP  88           HA       ASP  88   5.777   4.343  -3.070
  503    HB2  ASP  88           HB2      ASP  88   4.512   6.346  -2.466
  504    HB3  ASP  88           HB1      ASP  88   6.073   6.702  -3.151
  505    H    ILE  89           HN       ILE  89   4.206   3.553  -2.032
  506    HA   ILE  89           HA       ILE  89   1.866   2.618  -3.580
  507    HB   ILE  89           HB       ILE  89   1.621   0.875  -1.947
  508   HG12  ILE  89          HG12      ILE  89   2.879   2.558  -0.427
  509   HG13  ILE  89          HG11      ILE  89   2.600   0.988   0.174
  510   HG21  ILE  89          HG21      ILE  89   3.677  -0.313  -2.406
  511   HG22  ILE  89          HG22      ILE  89   4.415   1.196  -2.952
  512   HG23  ILE  89          HG23      ILE  89   3.055   0.486  -3.850
  513   HD11  ILE  89          HD11      ILE  89   5.006   2.232  -1.185
  514   HD12  ILE  89          HD12      ILE  89   5.078   0.571  -0.583
  515   HD13  ILE  89          HD13      ILE  89   4.909   1.957   0.519
  516    H    LEU  90           HN       LEU  90  -0.304   2.742  -2.514
  517    HA   LEU  90           HA       LEU  90  -0.324   4.969  -0.856
  518    HB2  LEU  90           HB2      LEU  90  -2.368   3.555  -2.419
  519    HB3  LEU  90           HB1      LEU  90  -2.797   3.476  -0.848
  520    HG   LEU  90           HG       LEU  90  -2.305   6.125  -2.107
  521   HD11  LEU  90          HD11      LEU  90  -4.797   4.555  -1.605
  522   HD12  LEU  90          HD12      LEU  90  -4.045   4.934  -3.169
  523   HD13  LEU  90          HD13      LEU  90  -4.711   6.227  -2.179
  524   HD21  LEU  90          HD21      LEU  90  -2.115   6.146   0.281
  525   HD22  LEU  90          HD22      LEU  90  -3.623   5.258   0.427
  526   HD23  LEU  90          HD23      LEU  90  -3.630   6.913  -0.213
  527    H    LEU  91           HN       LEU  91  -0.571   5.117   1.219
  528    HA   LEU  91           HA       LEU  91  -0.191   2.723   2.838
  529    HB2  LEU  91           HB2      LEU  91  -0.351   5.702   3.607
  530    HB3  LEU  91           HB1      LEU  91  -0.849   4.473   4.420
  531    HG   LEU  91           HG       LEU  91   0.909   3.845   5.450
  532   HD11  LEU  91          HD11      LEU  91   2.964   3.228   4.417
  533   HD12  LEU  91          HD12      LEU  91   2.320   3.653   2.831
  534   HD13  LEU  91          HD13      LEU  91   1.585   2.340   3.791
  535   HD21  LEU  91          HD21      LEU  91   2.261   6.006   3.908
  536   HD22  LEU  91          HD22      LEU  91   2.872   5.216   5.363
  537   HD23  LEU  91          HD23      LEU  91   1.420   6.162   5.447
  538    H    GLY  92           HN       GLY  92  -1.572   2.498   4.521
  539    HA2  GLY  92           HA2      GLY  92  -4.173   2.808   3.438
  540    HA3  GLY  92           HA1      GLY  92  -3.895   1.597   4.622
  541    H    MET  93           HN       MET  93  -3.683   5.058   4.191
  542    HA   MET  93           HA       MET  93  -4.582   5.236   6.816
  543    HB2  MET  93           HB2      MET  93  -2.806   6.035   7.636
  544    HB3  MET  93           HB1      MET  93  -1.999   5.870   6.079
  545    HG2  MET  93           HG2      MET  93  -2.662   8.134   5.458
  546    HG3  MET  93           HG1      MET  93  -3.543   8.302   6.967
  547    HE1  MET  93           HE1      MET  93  -0.021   7.469   5.563
  548    HE2  MET  93           HE2      MET  93  -0.216   6.390   6.953
  549    HE3  MET  93           HE3      MET  93   0.983   7.691   7.002
  550    H    PHE  94           HN       PHE  94  -5.907   7.012   7.184
  551    HA   PHE  94           HA       PHE  94  -6.446   8.496   4.758
  552    HB2  PHE  94           HB2      PHE  94  -8.835   8.213   5.055
  553    HB3  PHE  94           HB1      PHE  94  -8.012   6.739   5.026
  554    HD1  PHE  94           HD1      PHE  94  -7.752   5.547   6.872
  555    HD2  PHE  94           HD2      PHE  94 -10.149   8.895   7.028
  556    HE1  PHE  94           HE1      PHE  94  -8.849   4.553   8.833
  557    HE2  PHE  94           HE2      PHE  94 -11.293   8.004   9.036
  558    HZ   PHE  94           HZ       PHE  94 -10.555   5.723   9.900
  559    H    TYR  95           HN       TYR  95  -7.397  10.388   5.063
  560    HA   TYR  95           HA       TYR  95  -6.439  11.560   7.548
  561    HB2  TYR  95           HB2      TYR  95  -5.341  12.520   5.557
  562    HB3  TYR  95           HB1      TYR  95  -6.902  13.026   4.933
  563    HD1  TYR  95           HD1      TYR  95  -5.347  13.239   8.253
  564    HD2  TYR  95           HD2      TYR  95  -7.065  15.353   5.035
  565    HE1  TYR  95           HE1      TYR  95  -5.131  15.285   9.546
  566    HE2  TYR  95           HE2      TYR  95  -6.843  17.468   6.295
  567    HH   TYR  95           HH       TYR  95  -4.955  17.689   9.118
  568    H    ASP  96           HN       ASP  96  -7.961  11.456   8.872
  569    HA   ASP  96           HA       ASP  96 -10.669  12.003   8.222
  570    HB2  ASP  96           HB2      ASP  96  -9.981  10.512   9.992
  571    HB3  ASP  96           HB1      ASP  96  -9.299  11.884  10.867
  572    H    THR  97           HN       THR  97 -11.138  14.212   7.905
  573    HA   THR  97           HA       THR  97  -9.205  16.167   8.701
  574    HB   THR  97           HB       THR  97 -10.707  17.745   7.601
  575    HG1  THR  97           HG1      THR  97 -12.381  15.886   6.486
  576   HG21  THR  97          HG21      THR  97 -10.450  16.747   5.329
  577   HG22  THR  97          HG22      THR  97 -10.190  15.179   6.108
  578   HG23  THR  97          HG23      THR  97  -9.028  16.459   6.337
  579    H    ASP  98           HN       ASP  98 -12.011  14.886  10.022
  580    HA   ASP  98           HA       ASP  98 -12.931  17.142  11.509
  581    HB2  ASP  98           HB2      ASP  98 -14.316  15.210  10.864
  582    HB3  ASP  98           HB1      ASP  98 -13.402  14.206  11.971
  583    H    ASP  99           HN       ASP  99 -11.066  14.297  12.224
  584    HA   ASP  99           HA       ASP  99 -10.367  15.182  14.933
  585    HB2  ASP  99           HB2      ASP  99 -10.642  12.706  14.063
  586    HB3  ASP  99           HB1      ASP  99  -9.094  12.984  13.363
  587    H    ALA 100           HN       ALA 100  -9.326  15.328  11.727
  588    HA   ALA 100           HA       ALA 100  -7.686  16.085  10.608
  589    HB1  ALA 100           HB1      ALA 100  -7.925  18.143  11.903
  590    HB2  ALA 100           HB2      ALA 100  -6.225  17.870  11.521
  591    HB3  ALA 100           HB3      ALA 100  -6.833  17.515  13.143
  592    H    SER 101           HN       SER 101  -7.452  13.590  11.313
  593    HA   SER 101           HA       SER 101  -4.687  13.289  12.128
  594    HB2  SER 101           HB2      SER 101  -5.743  12.835  13.994
  595    HB3  SER 101           HB1      SER 101  -7.103  11.952  13.289
  596    HG   SER 101           HG       SER 101  -5.191  10.850  14.454
  597    H    PHE 102           HN       PHE 102  -3.758  11.553  11.438
  598    HA   PHE 102           HA       PHE 102  -4.949  10.434   9.137
  599    HB2  PHE 102           HB2      PHE 102  -2.115  10.261  10.103
  600    HB3  PHE 102           HB1      PHE 102  -2.733   9.425   8.698
  601    HD1  PHE 102           HD1      PHE 102  -3.571  10.667   6.834
  602    HD2  PHE 102           HD2      PHE 102  -1.586  12.492  10.099
  603    HE1  PHE 102           HE1      PHE 102  -3.150  12.703   5.470
  604    HE2  PHE 102           HE2      PHE 102  -1.162  14.495   8.773
  605    HZ   PHE 102           HZ       PHE 102  -1.921  14.620   6.491
  606    H    LYS 103           HN       LYS 103  -5.595   8.407   9.063
  607    HA   LYS 103           HA       LYS 103  -5.407   6.895  11.578
  608    HB2  LYS 103           HB2      LYS 103  -7.804   7.127   9.792
  609    HB3  LYS 103           HB1      LYS 103  -7.738   6.469  11.423
  610    HG2  LYS 103           HG2      LYS 103  -6.962   8.795  12.121
  611    HG3  LYS 103           HG1      LYS 103  -7.412   9.285  10.532
  612    HD2  LYS 103           HD2      LYS 103  -9.574   9.075  10.924
  613    HD3  LYS 103           HD1      LYS 103  -9.482   7.938  12.177
  614    HE2  LYS 103           HE2      LYS 103  -8.587  10.805  12.360
  615    HE3  LYS 103           HE1      LYS 103  -9.999  10.050  13.089
  616    HZ1  LYS 103           HZ1      LYS 103  -8.200  10.413  14.676
  617    HZ2  LYS 103           HZ2      LYS 103  -7.184   9.378  13.832
  618    HZ3  LYS 103           HZ3      LYS 103  -8.588   8.785  14.541
  619    H    TRP 104           HN       TRP 104  -5.110   4.752  11.341
  620    HA   TRP 104           HA       TRP 104  -4.500   3.753   8.718
  621    HB2  TRP 104           HB2      TRP 104  -4.523   2.606  11.488
  622    HB3  TRP 104           HB1      TRP 104  -4.188   1.613  10.051
  623    HD1  TRP 104           HD1      TRP 104  -2.411   2.935  12.772
  624    HE1  TRP 104           HE1      TRP 104   0.008   3.528  12.191
  625    HE3  TRP 104           HE3      TRP 104  -2.786   3.156   7.674
  626    HZ2  TRP 104           HZ2      TRP 104   1.542   4.106   9.920
  627    HZ3  TRP 104           HZ3      TRP 104  -0.816   3.745   6.393
  628    HH2  TRP 104           HH2      TRP 104   1.326   4.215   7.490
  629    H    PHE 105           HN       PHE 105  -5.755   2.510   7.501
  630    HA   PHE 105           HA       PHE 105  -8.483   2.266   8.064
  631    HB2  PHE 105           HB2      PHE 105  -6.746   1.159   5.882
  632    HB3  PHE 105           HB1      PHE 105  -8.326   0.450   6.116
  633    HD1  PHE 105           HD2      PHE 105 -10.210   2.252   6.504
  634    HD2  PHE 105           HD1      PHE 105  -6.613   2.958   4.254
  635    HE1  PHE 105           HE2      PHE 105 -11.257   4.088   5.265
  636    HE2  PHE 105           HE1      PHE 105  -7.584   4.633   3.156
  637    HZ   PHE 105           HZ       PHE 105  -9.953   5.295   3.585
  638    H    ASP 106           HN       ASP 106  -5.873   0.548   9.093
  639    HA   ASP 106           HA       ASP 106  -6.928  -2.043   9.680
  640    HB2  ASP 106           HB2      ASP 106  -4.529  -1.470   9.702
  641    HB3  ASP 106           HB1      ASP 106  -4.790  -0.424  11.081
  642    H    ASN 107           HN       ASN 107  -7.609   1.038  10.884
  643    HA   ASN 107           HA       ASN 107  -9.019   1.878  12.384
  644    HB2  ASN 107           HB2      ASN 107  -9.759  -1.007  12.836
  645    HB3  ASN 107           HB1      ASN 107 -10.436   0.266  13.841
  646   HD21  ASN 107          HD21      ASN 107 -10.359  -1.135  10.658
  647   HD22  ASN 107          HD22      ASN 107 -11.727  -0.299  10.048
  648    H    SER 108           HN       SER 108  -6.268   0.894  12.971
  649    HA   SER 108           HA       SER 108  -6.408   1.178  15.878
  650    HB2  SER 108           HB2      SER 108  -4.154   0.062  14.202
  651    HB3  SER 108           HB1      SER 108  -4.259   0.060  15.966
  652    HG   SER 108           HG       SER 108  -5.278  -1.654  14.164
  653    H    ASN 109           HN       ASN 109  -4.456   2.509  16.841
  654    HA   ASN 109           HA       ASN 109  -4.395   4.941  15.541
  655    HB2  ASN 109           HB2      ASN 109  -2.713   5.339  17.257
  656    HB3  ASN 109           HB1      ASN 109  -4.361   5.061  17.942
  657   HD21  ASN 109          HD21      ASN 109  -1.823   5.251  19.086
  658   HD22  ASN 109          HD22      ASN 109  -1.321   3.712  19.655
  659    H    MET 110           HN       MET 110  -2.594   6.039  14.920
  660    HA   MET 110           HA       MET 110  -0.591   4.448  13.648
  661    HB2  MET 110           HB2      MET 110  -1.569   6.369  12.559
  662    HB3  MET 110           HB1      MET 110  -0.967   7.425  13.819
  663    HG2  MET 110           HG2      MET 110   1.299   7.046  13.144
  664    HG3  MET 110           HG1      MET 110   0.796   5.779  12.025
  665    HE1  MET 110           HE1      MET 110  -1.957   7.237  10.890
  666    HE2  MET 110           HE2      MET 110  -0.839   6.167  10.078
  667    HE3  MET 110           HE3      MET 110  -1.224   7.732   9.366
  668    H    THR 111           HN       THR 111   0.521   3.507  15.222
  669    HA   THR 111           HA       THR 111   1.489   4.898  17.460
  670    HB   THR 111           HB       THR 111   2.568   2.672  17.908
  671    HG1  THR 111           HG1      THR 111   2.706   1.421  16.309
  672   HG21  THR 111          HG21      THR 111   0.292   1.539  18.137
  673   HG22  THR 111          HG22      THR 111  -0.392   3.030  17.409
  674   HG23  THR 111          HG23      THR 111   0.508   3.100  18.892
  675    H    PHE 112           HN       PHE 112   2.630   4.139  14.253
  676    HA   PHE 112           HA       PHE 112   5.356   5.130  14.831
  677    HB2  PHE 112           HB2      PHE 112   5.083   2.481  14.357
  678    HB3  PHE 112           HB1      PHE 112   4.790   3.091  12.795
  679    HD1  PHE 112           HD2      PHE 112   7.397   3.611  15.404
  680    HD2  PHE 112           HD1      PHE 112   6.329   3.361  11.355
  681    HE1  PHE 112           HE2      PHE 112   9.772   3.884  14.809
  682    HE2  PHE 112           HE1      PHE 112   8.733   3.617  10.679
  683    HZ   PHE 112           HZ       PHE 112  10.444   3.899  12.442
  684    H    ASP 113           HN       ASP 113   6.315   6.160  13.043
  685    HA   ASP 113           HA       ASP 113   4.844   6.478  10.610
  686    HB2  ASP 113           HB2      ASP 113   4.562   8.851  10.764
  687    HB3  ASP 113           HB1      ASP 113   3.678   8.075  12.066
  688    H    LYS 114           HN       LYS 114   5.872   7.189   9.013
  689    HA   LYS 114           HA       LYS 114   8.682   7.914   9.397
  690    HB2  LYS 114           HB2      LYS 114   7.305   6.343   7.232
  691    HB3  LYS 114           HB1      LYS 114   8.956   6.912   7.144
  692    HG2  LYS 114           HG2      LYS 114   8.013   5.126   9.349
  693    HG3  LYS 114           HG1      LYS 114   8.525   4.491   7.792
  694    HD2  LYS 114           HD2      LYS 114  10.220   6.213   9.595
  695    HD3  LYS 114           HD1      LYS 114  10.317   4.456   9.518
  696    HE2  LYS 114           HE2      LYS 114  10.851   4.805   6.967
  697    HE3  LYS 114           HE1      LYS 114  10.984   6.420   7.314
  698    HZ1  LYS 114           HZ1      LYS 114  12.707   6.072   8.935
  699    HZ2  LYS 114           HZ2      LYS 114  13.131   5.450   7.432
  700    HZ3  LYS 114           HZ3      LYS 114  12.653   4.406   8.667
  701    H    TRP 115           HN       TRP 115   7.388  10.051   9.528
  702    HA   TRP 115           HA       TRP 115   6.238  10.897   7.017
  703    HB2  TRP 115           HB2      TRP 115   6.433  12.338   9.669
  704    HB3  TRP 115           HB1      TRP 115   5.753  13.057   8.234
  705    HD1  TRP 115           HD1      TRP 115   4.828  11.297  11.105
  706    HE1  TRP 115           HE1      TRP 115   2.333  10.454  10.928
  707    HE3  TRP 115           HE3      TRP 115   4.240  11.929   6.215
  708    HZ2  TRP 115           HZ2      TRP 115   0.449  10.145   8.878
  709    HZ3  TRP 115           HZ3      TRP 115   2.157  11.377   5.173
  710    HH2  TRP 115           HH2      TRP 115   0.269  10.491   6.445
  711    H    THR 116           HN       THR 116   7.147  12.082   5.547
  712    HA   THR 116           HA       THR 116   9.728  13.206   6.137
  713    HB   THR 116           HB       THR 116   9.682  11.971   4.042
  714    HG1  THR 116           HG1      THR 116  10.096  13.860   2.540
  715   HG21  THR 116          HG21      THR 116   7.499  13.863   3.125
  716   HG22  THR 116          HG22      THR 116   7.284  12.150   3.478
  717   HG23  THR 116          HG23      THR 116   8.282  12.648   2.116
  718    H    ASP 117           HN       ASP 117   9.917  15.584   5.199
  719    HA   ASP 117           HA       ASP 117   7.573  17.093   6.102
  720    HB2  ASP 117           HB2      ASP 117   9.773  17.901   6.846
  721    HB3  ASP 117           HB1      ASP 117  10.269  18.117   5.171
  722    H    GLN 118           HN       GLN 118   5.941  17.684   4.689
  723    HA   GLN 118           HA       GLN 118   6.610  17.633   1.933
  724    HB2  GLN 118           HB2      GLN 118   5.338  15.683   2.670
  725    HB3  GLN 118           HB1      GLN 118   4.364  16.816   3.610
  726    HG2  GLN 118           HG2      GLN 118   3.510  17.750   1.969
  727    HG3  GLN 118           HG1      GLN 118   4.331  16.850   0.658
  728   HE21  GLN 118          HE21      GLN 118   1.444  16.994   1.128
  729   HE22  GLN 118          HE22      GLN 118   0.903  15.400   1.499
  730    H    ASP 119           HN       ASP 119   5.239  18.898   0.784
  731    HA   ASP 119           HA       ASP 119   4.626  21.504   1.192
  732    HB2  ASP 119           HB2      ASP 119   4.750  20.632  -0.816
  733    HB3  ASP 119           HB1      ASP 119   3.595  19.290  -0.423
  734    H    ASP 120           HN       ASP 120   2.660  22.383   1.166
  735    HA   ASP 120           HA       ASP 120   0.668  23.147   2.021
  736    HB2  ASP 120           HB2      ASP 120  -0.090  20.685   1.088
  737    HB3  ASP 120           HB1      ASP 120  -0.351  20.460   2.797
  738    H    ASP 121           HN       ASP 121  -0.899  22.494   4.111
  739    HA   ASP 121           HA       ASP 121   0.854  22.080   6.402
  740    HB2  ASP 121           HB2      ASP 121  -0.773  24.567   5.969
  741    HB3  ASP 121           HB1      ASP 121  -0.222  24.072   7.561
  742    H    GLU 122           HN       GLU 122  -2.460  23.321   5.953
  743    HA   GLU 122           HA       GLU 122  -3.326  21.655   8.129
  744    HB2  GLU 122           HB2      GLU 122  -4.825  23.669   6.470
  745    HB3  GLU 122           HB1      GLU 122  -5.343  22.955   7.987
  746    HG2  GLU 122           HG2      GLU 122  -2.940  24.685   7.612
  747    HG3  GLU 122           HG1      GLU 122  -4.493  25.256   8.220
  748    H    ASP 123           HN       ASP 123  -4.474  22.364   4.867
  749    HA   ASP 123           HA       ASP 123  -5.797  19.770   4.901
  750    HB2  ASP 123           HB2      ASP 123  -7.112  20.561   2.999
  751    HB3  ASP 123           HB1      ASP 123  -7.474  21.421   4.503
  752    H    LEU 124           HN       LEU 124  -4.409  18.447   4.354
  753    HA   LEU 124           HA       LEU 124  -3.289  18.754   1.717
  754    HB2  LEU 124           HB2      LEU 124  -2.062  16.549   2.467
  755    HB3  LEU 124           HB1      LEU 124  -1.423  18.120   2.899
  756    HG   LEU 124           HG       LEU 124  -1.287  16.365   4.622
  757   HD11  LEU 124          HD11      LEU 124  -2.890  18.770   5.413
  758   HD12  LEU 124          HD12      LEU 124  -1.134  18.643   5.311
  759   HD13  LEU 124          HD13      LEU 124  -2.017  17.705   6.512
  760   HD21  LEU 124          HD21      LEU 124  -3.444  15.946   5.959
  761   HD22  LEU 124          HD22      LEU 124  -3.208  15.112   4.433
  762   HD23  LEU 124          HD23      LEU 124  -4.267  16.512   4.488
  763    H    VAL 125           HN       VAL 125  -5.868  18.402   1.820
  764    HA   VAL 125           HA       VAL 125  -6.644  15.666   1.670
  765    HB   VAL 125           HB       VAL 125  -8.160  18.239   1.069
  766   HG11  VAL 125          HG11      VAL 125  -9.175  16.279  -0.040
  767   HG12  VAL 125          HG12      VAL 125 -10.205  17.008   1.188
  768   HG13  VAL 125          HG13      VAL 125  -9.352  15.508   1.542
  769   HG21  VAL 125          HG21      VAL 125  -8.162  16.494   3.512
  770   HG22  VAL 125          HG22      VAL 125  -9.182  17.914   3.269
  771   HG23  VAL 125          HG23      VAL 125  -7.425  18.088   3.375
  772    H    ASP 126           HN       ASP 126  -5.315  17.936  -0.303
  773    HA   ASP 126           HA       ASP 126  -6.319  17.160  -2.874
  774    HB2  ASP 126           HB2      ASP 126  -5.545  19.401  -2.588
  775    HB3  ASP 126           HB1      ASP 126  -3.980  18.855  -2.010
  776    H    THR 127           HN       THR 127  -4.106  15.861  -0.801
  777    HA   THR 127           HA       THR 127  -2.923  14.219  -2.902
  778    HB   THR 127           HB       THR 127  -1.219  15.797  -2.274
  779    HG1  THR 127           HG1      THR 127  -0.353  13.748  -0.614
  780   HG21  THR 127          HG21      THR 127  -0.515  16.121   0.075
  781   HG22  THR 127          HG22      THR 127  -1.827  15.041   0.554
  782   HG23  THR 127          HG23      THR 127  -2.215  16.577  -0.188
  783    H    CYS 128           HN       CYS 128  -1.833  12.275  -1.622
  784    HA   CYS 128           HA       CYS 128  -3.727  11.484   0.472
  785    HB2  CYS 128           HB2      CYS 128  -2.630   9.282  -1.144
  786    HB3  CYS 128           HB1      CYS 128  -4.185   9.537  -0.457
  787    H    ALA 129           HN       ALA 129  -2.512   8.991   1.148
  788    HA   ALA 129           HA       ALA 129   0.120   9.963   1.975
  789    HB1  ALA 129           HB1      ALA 129  -0.092   8.536   3.867
  790    HB2  ALA 129           HB2      ALA 129  -1.506   7.752   3.248
  791    HB3  ALA 129           HB3      ALA 129  -1.600   9.451   3.781
  792    H    PHE 130           HN       PHE 130   1.688   8.967   0.859
  793    HA   PHE 130           HA       PHE 130   1.219   6.154   0.343
  794    HB2  PHE 130           HB2      PHE 130   2.805   7.845  -1.644
  795    HB3  PHE 130           HB1      PHE 130   2.537   6.201  -1.589
  796    HD1  PHE 130           HD1      PHE 130  -0.252   8.670  -1.272
  797    HD2  PHE 130           HD2      PHE 130   1.620   5.622  -3.558
  798    HE1  PHE 130           HE1      PHE 130  -2.151   8.653  -2.866
  799    HE2  PHE 130           HE2      PHE 130  -0.268   5.605  -5.110
  800    HZ   PHE 130           HZ       PHE 130  -2.160   7.147  -4.755
  801    H    LEU 131           HN       LEU 131   2.682   5.031   1.058
  802    HA   LEU 131           HA       LEU 131   5.128   6.053   2.116
  803    HB2  LEU 131           HB2      LEU 131   4.234   4.231   3.127
  804    HB3  LEU 131           HB1      LEU 131   3.983   3.379   1.615
  805    HG   LEU 131           HG       LEU 131   6.396   3.132   1.443
  806   HD11  LEU 131          HD11      LEU 131   6.368   4.374   4.133
  807   HD12  LEU 131          HD12      LEU 131   7.220   4.944   2.687
  808   HD13  LEU 131          HD13      LEU 131   7.692   3.433   3.487
  809   HD21  LEU 131          HD21      LEU 131   4.950   1.456   2.360
  810   HD22  LEU 131          HD22      LEU 131   5.209   2.144   3.975
  811   HD23  LEU 131          HD23      LEU 131   6.573   1.428   3.065
  812    H    HIS 132           HN       HIS 132   6.851   6.485   1.122
  813    HA   HIS 132           HA       HIS 132   7.300   6.034  -1.692
  814    HB2  HIS 132           HB2      HIS 132   8.150   7.969  -0.099
  815    HB3  HIS 132           HB1      HIS 132   9.364   6.815   0.297
  816    HD1  HIS 132           HD1      HIS 132  10.688   9.001  -0.712
  817    HD2  HIS 132           HD2      HIS 132   8.984   6.336  -3.340
  818    HE1  HIS 132           HE1      HIS 132  11.878   9.374  -2.841
  819    HE2  HIS 132           HE2      HIS 132  10.416   8.187  -4.478
  820    H    ILE 133           HN       ILE 133   7.982   4.306  -2.467
  821    HA   ILE 133           HA       ILE 133   8.891   2.041  -1.143
  822    HB   ILE 133           HB       ILE 133   8.557   2.980  -3.898
  823   HG12  ILE 133          HG12      ILE 133   6.662   1.807  -3.025
  824   HG13  ILE 133          HG11      ILE 133   7.439   0.747  -4.142
  825   HG21  ILE 133          HG21      ILE 133   9.603   0.939  -4.946
  826   HG22  ILE 133          HG22      ILE 133  10.425   0.713  -3.425
  827   HG23  ILE 133          HG23      ILE 133  10.695   2.187  -4.343
  828   HD11  ILE 133          HD11      ILE 133   6.780  -0.460  -2.255
  829   HD12  ILE 133          HD12      ILE 133   7.526   0.722  -1.196
  830   HD13  ILE 133          HD13      ILE 133   8.553  -0.336  -2.197
  831    H    LYS 134           HN       LYS 134  10.491   4.732  -2.368
  832    HA   LYS 134           HA       LYS 134  13.044   3.361  -2.465
  833    HB2  LYS 134           HB2      LYS 134  12.416   6.219  -3.062
  834    HB3  LYS 134           HB1      LYS 134  13.981   5.439  -3.302
  835    HG2  LYS 134           HG2      LYS 134  12.956   3.885  -4.930
  836    HG3  LYS 134           HG1      LYS 134  11.405   4.659  -4.621
  837    HD2  LYS 134           HD2      LYS 134  12.356   5.433  -6.699
  838    HD3  LYS 134           HD1      LYS 134  12.219   6.741  -5.521
  839    HE2  LYS 134           HE2      LYS 134  14.471   6.401  -4.908
  840    HE3  LYS 134           HE1      LYS 134  14.703   5.171  -6.149
  841    HZ1  LYS 134           HZ1      LYS 134  14.020   8.031  -6.614
  842    HZ2  LYS 134           HZ2      LYS 134  14.081   6.857  -7.814
  843    HZ3  LYS 134           HZ3      LYS 134  15.496   7.295  -6.991
  844    H    THR 135           HN       THR 135  11.632   5.946  -0.496
  845    HA   THR 135           HA       THR 135  14.064   5.761   1.153
  846    HB   THR 135           HB       THR 135  13.408   7.989   2.069
  847    HG1  THR 135           HG1      THR 135  11.734   8.998   1.350
  848   HG21  THR 135          HG21      THR 135  13.977   9.273   0.053
  849   HG22  THR 135          HG22      THR 135  13.683   7.842  -0.936
  850   HG23  THR 135          HG23      THR 135  15.010   7.856   0.224
  851    H    GLY 136           HN       GLY 136  10.656   5.259   1.185
  852    HA2  GLY 136           HA2      GLY 136   9.319   4.257   2.801
  853    HA3  GLY 136           HA1      GLY 136  10.747   4.152   3.841
  854    H    GLU 137           HN       GLU 137   9.194   6.793   2.260
  855    HA   GLU 137           HA       GLU 137   8.710   7.983   4.878
  856    HB2  GLU 137           HB2      GLU 137   9.656   9.220   2.347
  857    HB3  GLU 137           HB1      GLU 137   9.088  10.159   3.736
  858    HG2  GLU 137           HG2      GLU 137  10.873   9.210   5.104
  859    HG3  GLU 137           HG1      GLU 137  11.396   8.230   3.741
  860    H    TRP 138           HN       TRP 138   6.868   9.230   4.984
  861    HA   TRP 138           HA       TRP 138   4.866   8.309   3.077
  862    HB2  TRP 138           HB2      TRP 138   4.519   9.309   5.873
  863    HB3  TRP 138           HB1      TRP 138   3.277   8.609   4.836
  864    HD1  TRP 138           HD1      TRP 138   5.833   6.323   4.064
  865    HE1  TRP 138           HE1      TRP 138   5.956   4.392   5.723
  866    HE3  TRP 138           HE3      TRP 138   3.096   8.248   7.818
  867    HZ2  TRP 138           HZ2      TRP 138   5.065   3.715   8.086
  868    HZ3  TRP 138           HZ3      TRP 138   2.747   6.792   9.853
  869    HH2  TRP 138           HH2      TRP 138   3.706   4.576   9.957
  870    H    LYS 139           HN       LYS 139   3.251   9.617   2.536
  871    HA   LYS 139           HA       LYS 139   3.671  12.517   2.632
  872    HB2  LYS 139           HB2      LYS 139   2.520  10.692   0.554
  873    HB3  LYS 139           HB1      LYS 139   2.099  12.398   0.590
  874    HG2  LYS 139           HG2      LYS 139   4.293  13.027   0.370
  875    HG3  LYS 139           HG1      LYS 139   4.880  11.382   0.553
  876    HD2  LYS 139           HD2      LYS 139   3.171  12.464  -1.726
  877    HD3  LYS 139           HD1      LYS 139   4.908  12.177  -1.835
  878    HE2  LYS 139           HE2      LYS 139   4.497   9.785  -1.378
  879    HE3  LYS 139           HE1      LYS 139   2.770  10.105  -1.366
  880    HZ1  LYS 139           HZ1      LYS 139   4.545  10.579  -3.694
  881    HZ2  LYS 139           HZ2      LYS 139   2.880  10.811  -3.651
  882    HZ3  LYS 139           HZ3      LYS 139   3.511   9.267  -3.523
  883    H    LYS 140           HN       LYS 140   2.032  13.659   2.963
  884    HA   LYS 140           HA       LYS 140   0.039  12.466   4.744
  885    HB2  LYS 140           HB2      LYS 140   0.738  15.326   4.195
  886    HB3  LYS 140           HB1      LYS 140  -0.521  14.791   5.292
  887    HG2  LYS 140           HG2      LYS 140   1.190  13.585   6.590
  888    HG3  LYS 140           HG1      LYS 140   2.417  14.290   5.532
  889    HD2  LYS 140           HD2      LYS 140   1.607  16.491   6.104
  890    HD3  LYS 140           HD1      LYS 140   0.455  15.791   7.230
  891    HE2  LYS 140           HE2      LYS 140   2.211  14.784   8.524
  892    HE3  LYS 140           HE1      LYS 140   3.438  15.392   7.413
  893    HZ1  LYS 140           HZ1      LYS 140   2.734  17.674   8.066
  894    HZ2  LYS 140           HZ2      LYS 140   3.344  16.780   9.357
  895    HZ3  LYS 140           HZ3      LYS 140   1.696  17.000   9.215
  896    H    GLY 141           HN       GLY 141  -2.079  12.240   4.190
  897    HA2  GLY 141           HA2      GLY 141  -3.700  14.012   2.988
  898    HA3  GLY 141           HA1      GLY 141  -2.930  13.190   1.651
  899    H    ASN 142           HN       ASN 142  -5.176  12.796   1.319
  900    HA   ASN 142           HA       ASN 142  -5.867  10.138   2.221
  901    HB2  ASN 142           HB2      ASN 142  -8.331  10.878   2.195
  902    HB3  ASN 142           HB1      ASN 142  -7.400  11.310   3.626
  903   HD21  ASN 142          HD21      ASN 142  -7.232  13.073   0.547
  904   HD22  ASN 142          HD22      ASN 142  -8.063  14.463   1.114
  905    H    CYS 143           HN       CYS 143  -6.675   8.897   0.483
  906    HA   CYS 143           HA       CYS 143  -6.217  10.310  -1.949
  907    HB2  CYS 143           HB2      CYS 143  -5.616   7.719  -1.210
  908    HB3  CYS 143           HB1      CYS 143  -6.791   7.586  -2.528
  909    H    GLU 144           HN       GLU 144  -7.946  11.475  -1.627
  910    HA   GLU 144           HA       GLU 144 -10.478  10.358  -2.501
  911    HB2  GLU 144           HB2      GLU 144  -9.678  13.191  -1.816
  912    HB3  GLU 144           HB1      GLU 144 -11.318  12.658  -2.135
  913    HG2  GLU 144           HG2      GLU 144  -9.621  11.631   0.153
  914    HG3  GLU 144           HG1      GLU 144 -10.809  12.933   0.297
  915    H    VAL 145           HN       VAL 145  -8.172  10.393  -4.134
  916    HA   VAL 145           HA       VAL 145  -9.094  11.951  -6.457
  917    HB   VAL 145           HB       VAL 145  -6.833  12.118  -7.300
  918   HG11  VAL 145          HG11      VAL 145  -6.983  12.932  -4.445
  919   HG12  VAL 145          HG12      VAL 145  -7.525  13.846  -5.862
  920   HG13  VAL 145          HG13      VAL 145  -5.796  13.549  -5.609
  921   HG21  VAL 145          HG21      VAL 145  -5.930  10.558  -4.858
  922   HG22  VAL 145          HG22      VAL 145  -4.856  11.336  -6.019
  923   HG23  VAL 145          HG23      VAL 145  -5.880  10.004  -6.533
  924    H    SER 146           HN       SER 146  -8.649  10.902  -8.525
  925    HA   SER 146           HA       SER 146  -9.414   8.131  -8.268
  926    HB2  SER 146           HB2      SER 146  -9.201   9.803 -10.714
  927    HB3  SER 146           HB1      SER 146  -9.945   8.195 -10.564
  928    HG   SER 146           HG       SER 146 -11.051   9.643  -8.698
  929    H    SER 147           HN       SER 147  -6.516   9.627  -8.541
  930    HA   SER 147           HA       SER 147  -5.352   8.050 -10.595
  931    HB2  SER 147           HB2      SER 147  -4.091   9.846  -8.586
  932    HB3  SER 147           HB1      SER 147  -3.257   9.160  -9.985
  933    HG   SER 147           HG       SER 147  -5.649  10.495 -10.463
  934    H    VAL 148           HN       VAL 148  -6.366   6.560  -8.186
  935    HA   VAL 148           HA       VAL 148  -3.796   5.387  -7.393
  936    HB   VAL 148           HB       VAL 148  -6.323   4.408  -6.035
  937   HG11  VAL 148          HG11      VAL 148  -4.351   3.126  -5.909
  938   HG12  VAL 148          HG12      VAL 148  -4.900   3.741  -4.372
  939   HG13  VAL 148          HG13      VAL 148  -3.503   4.486  -5.171
  940   HG21  VAL 148          HG21      VAL 148  -6.291   6.878  -5.830
  941   HG22  VAL 148          HG22      VAL 148  -4.640   6.763  -5.214
  942   HG23  VAL 148          HG23      VAL 148  -5.973   6.047  -4.309
  943    H    GLU 149           HN       GLU 149  -3.183   3.590  -8.008
  944    HA   GLU 149           HA       GLU 149  -4.970   1.935  -9.619
  945    HB2  GLU 149           HB2      GLU 149  -2.132   2.632 -10.309
  946    HB3  GLU 149           HB1      GLU 149  -3.173   1.424 -11.081
  947    HG2  GLU 149           HG2      GLU 149  -4.548   2.984 -12.020
  948    HG3  GLU 149           HG1      GLU 149  -4.054   4.260 -10.915
  949    H    GLY 150           HN       GLY 150  -3.391   1.944  -6.913
  950    HA2  GLY 150           HA2      GLY 150  -3.409  -0.862  -6.655
  951    HA3  GLY 150           HA1      GLY 150  -1.780  -0.294  -6.952
  952    H    THR 151           HN       THR 151  -3.477  -1.337  -4.596
  953    HA   THR 151           HA       THR 151  -2.148   0.426  -2.719
  954    HB   THR 151           HB       THR 151  -4.475   1.070  -2.503
  955    HG1  THR 151           HG1      THR 151  -4.121  -0.749  -0.397
  956   HG21  THR 151          HG21      THR 151  -5.542  -0.898  -3.538
  957   HG22  THR 151          HG22      THR 151  -6.232  -0.557  -1.946
  958   HG23  THR 151          HG23      THR 151  -5.079  -1.869  -2.138
  959    H    LEU 152           HN       LEU 152  -1.507  -0.594  -0.833
  960    HA   LEU 152           HA       LEU 152  -1.203  -3.462  -1.172
  961    HB2  LEU 152           HB2      LEU 152   0.790  -2.053  -0.538
  962    HB3  LEU 152           HB1      LEU 152  -0.028  -1.723   0.969
  963    HG   LEU 152           HG       LEU 152  -0.328  -4.216   1.166
  964   HD11  LEU 152          HD11      LEU 152   0.502  -4.911  -0.956
  965   HD12  LEU 152          HD12      LEU 152   1.425  -5.584   0.388
  966   HD13  LEU 152          HD13      LEU 152   2.108  -4.256  -0.551
  967   HD21  LEU 152          HD21      LEU 152   0.775  -3.425   2.788
  968   HD22  LEU 152          HD22      LEU 152   1.960  -2.599   1.756
  969   HD23  LEU 152          HD23      LEU 152   2.080  -4.359   2.044
  970    H    CYS 153           HN       CYS 153  -2.138  -4.804   0.082
  971    HA   CYS 153           HA       CYS 153  -4.041  -3.680   1.973
  972    HB2  CYS 153           HB2      CYS 153  -4.034  -6.321   0.651
  973    HB3  CYS 153           HB1      CYS 153  -5.352  -5.597   1.557
  974    H    LYS 154           HN       LYS 154  -4.178  -4.509   3.884
  975    HA   LYS 154           HA       LYS 154  -2.268  -6.532   4.715
  976    HB2  LYS 154           HB2      LYS 154  -1.397  -4.467   5.473
  977    HB3  LYS 154           HB1      LYS 154  -2.975  -3.893   6.044
  978    HG2  LYS 154           HG2      LYS 154  -2.835  -5.756   7.750
  979    HG3  LYS 154           HG1      LYS 154  -1.191  -6.025   7.191
  980    HD2  LYS 154           HD2      LYS 154  -0.553  -3.763   7.793
  981    HD3  LYS 154           HD1      LYS 154  -2.212  -3.390   8.254
  982    HE2  LYS 154           HE2      LYS 154  -0.529  -5.521   9.519
  983    HE3  LYS 154           HE1      LYS 154  -0.692  -3.887  10.184
  984    HZ1  LYS 154           HZ1      LYS 154  -2.894  -5.857   9.792
  985    HZ2  LYS 154           HZ2      LYS 154  -3.113  -4.342  10.471
  986    HZ3  LYS 154           HZ3      LYS 154  -2.175  -5.496  11.259
  987    H    THR 155           HN       THR 155  -3.218  -7.935   6.148
  988    HA   THR 155           HA       THR 155  -5.847  -7.324   7.173
  989    HB   THR 155           HB       THR 155  -6.254  -8.497   5.002
  990    HG1  THR 155           HG1      THR 155  -7.914  -9.429   5.915
  991   HG21  THR 155          HG21      THR 155  -4.741 -10.787   6.256
  992   HG22  THR 155          HG22      THR 155  -4.172  -9.799   4.945
  993   HG23  THR 155          HG23      THR 155  -5.578 -10.864   4.694
  994    H    ALA 156           HN       ALA 156  -5.755  -7.801   9.247
  995    HA   ALA 156           HA       ALA 156  -3.519  -9.158  10.325
  996    HB1  ALA 156           HB1      ALA 156  -6.168  -8.568  11.592
  997    HB2  ALA 156           HB2      ALA 156  -4.767  -7.479  11.623
  998    HB3  ALA 156           HB3      ALA 156  -4.711  -9.056  12.438
  999    H    ILE 157           HN       ILE 157  -3.275 -11.263  10.788
 1000    HA   ILE 157           HA       ILE 157  -5.531 -12.823  10.046
 1001    HB   ILE 157           HB       ILE 157  -3.895 -14.726   9.950
 1002   HG12  ILE 157          HG12      ILE 157  -1.773 -13.100   9.179
 1003   HG13  ILE 157          HG11      ILE 157  -2.172 -12.705  10.835
 1004   HG21  ILE 157          HG21      ILE 157  -3.211 -14.147   7.669
 1005   HG22  ILE 157          HG22      ILE 157  -3.645 -12.461   7.981
 1006   HG23  ILE 157          HG23      ILE 157  -4.892 -13.715   7.993
 1007   HD11  ILE 157          HD11      ILE 157  -1.540 -15.446   9.814
 1008   HD12  ILE 157          HD12      ILE 157  -2.144 -15.025  11.424
 1009   HD13  ILE 157          HD13      ILE 157  -0.548 -14.438  10.898
 1010    HA   PRO 158           HA       PRO 158  -5.833 -13.617  14.404
 1011    HB2  PRO 158           HB2      PRO 158  -8.341 -14.619  14.201
 1012    HB3  PRO 158           HB1      PRO 158  -7.965 -12.884  14.108
 1013    HG2  PRO 158           HG2      PRO 158  -8.695 -14.727  11.976
 1014    HG3  PRO 158           HG1      PRO 158  -9.021 -12.994  12.132
 1015    HD2  PRO 158           HD2      PRO 158  -6.929 -14.084  10.551
 1016    HD3  PRO 158           HD1      PRO 158  -7.020 -12.433  11.056
 1017    H    TYR 159           HN       TYR 159  -5.097 -15.445  12.131
 1018    HA   TYR 159           HA       TYR 159  -5.773 -18.072  13.071
 1019    HB2  TYR 159           HB2      TYR 159  -3.909 -17.127  10.911
 1020    HB3  TYR 159           HB1      TYR 159  -4.180 -18.848  11.238
 1021    HD1  TYR 159           HD1      TYR 159  -5.622 -15.712  10.286
 1022    HD2  TYR 159           HD2      TYR 159  -6.033 -19.880  10.136
 1023    HE1  TYR 159           HE1      TYR 159  -7.320 -15.424   8.593
 1024    HE2  TYR 159           HE2      TYR 159  -7.803 -19.677   8.432
 1025    HH   TYR 159           HH       TYR 159  -8.377 -16.700   6.802
 1026    H    LYS 160           HN       LYS 160  -3.151 -15.807  13.168
 1027    HA   LYS 160           HA       LYS 160  -1.635 -17.382  15.116
 1028    HB2  LYS 160           HB2      LYS 160  -0.487 -16.172  12.586
 1029    HB3  LYS 160           HB1      LYS 160   0.479 -16.756  13.931
 1030    HG2  LYS 160           HG2      LYS 160  -0.365 -18.983  13.530
 1031    HG3  LYS 160           HG1      LYS 160  -1.349 -18.396  12.189
 1032    HD2  LYS 160           HD2      LYS 160   0.699 -19.395  11.331
 1033    HD3  LYS 160           HD1      LYS 160   0.713 -17.659  11.040
 1034    HE2  LYS 160           HE2      LYS 160   2.909 -18.436  11.820
 1035    HE3  LYS 160           HE1      LYS 160   2.183 -17.339  12.980
 1036    HZ1  LYS 160           HZ1      LYS 160   1.587 -19.228  14.352
 1037    HZ2  LYS 160           HZ2      LYS 160   3.224 -19.273  14.007
 1038    HZ3  LYS 160           HZ3      LYS 160   2.174 -20.306  13.200
 1039    H    ARG 161           HN       ARG 161  -3.319 -15.164  15.510
 1040    HA   ARG 161           HA       ARG 161  -1.450 -12.924  15.743
 1041    HB2  ARG 161           HB2      ARG 161  -3.644 -12.657  14.454
 1042    HB3  ARG 161           HB1      ARG 161  -4.444 -12.783  16.012
 1043    HG2  ARG 161           HG2      ARG 161  -3.362 -10.810  16.802
 1044    HG3  ARG 161           HG1      ARG 161  -2.366 -10.716  15.350
 1045    HD2  ARG 161           HD2      ARG 161  -4.509 -10.554  14.038
 1046    HD3  ARG 161           HD1      ARG 161  -5.343 -10.343  15.574
 1047    HE   ARG 161           HE       ARG 161  -3.103  -8.611  15.009
 1048   HH11  ARG 161          HH11      ARG 161  -6.619  -8.973  14.913
 1049   HH12  ARG 161          HH12      ARG 161  -6.968  -7.314  14.965
 1050   HH21  ARG 161          HH21      ARG 161  -3.559  -6.270  15.067
 1051   HH22  ARG 161          HH22      ARG 161  -5.162  -5.731  15.037
  Start of MODEL   10
    1    H1   MET  22           HT1      MET  22  -2.203 -24.204   6.313
    2    H2   MET  22           HT2      MET  22  -2.909 -23.387   7.630
    3    H3   MET  22           HT3      MET  22  -1.313 -23.123   7.254
    4    HA   MET  22           HA       MET  22  -1.869 -22.018   5.241
    5    HB2  MET  22           HB2      MET  22  -3.887 -23.320   4.687
    6    HB3  MET  22           HB1      MET  22  -4.724 -22.629   6.067
    7    HG2  MET  22           HG2      MET  22  -4.621 -20.429   5.036
    8    HG3  MET  22           HG1      MET  22  -3.749 -21.091   3.659
    9    HE1  MET  22           HE1      MET  22  -6.339 -19.350   3.307
   10    HE2  MET  22           HE2      MET  22  -7.243 -20.287   2.119
   11    HE3  MET  22           HE3      MET  22  -5.499 -20.095   1.945
   12    H    ASP  23           HN       ASP  23  -1.935 -19.808   5.412
   13    HA   ASP  23           HA       ASP  23  -3.168 -18.623   7.814
   14    HB2  ASP  23           HB2      ASP  23  -0.497 -17.629   6.758
   15    HB3  ASP  23           HB1      ASP  23  -1.340 -17.167   8.196
   16    H    CYS  24           HN       CYS  24  -1.563 -17.996   4.848
   17    HA   CYS  24           HA       CYS  24  -3.329 -15.770   4.344
   18    HB2  CYS  24           HB2      CYS  24  -0.788 -16.682   2.992
   19    HB3  CYS  24           HB1      CYS  24  -1.766 -15.314   2.510
   20    HA   PRO  25           HA       PRO  25  -5.925 -17.915   1.406
   21    HB2  PRO  25           HB2      PRO  25  -5.560 -15.518  -0.322
   22    HB3  PRO  25           HB1      PRO  25  -7.063 -16.280   0.238
   23    HG2  PRO  25           HG2      PRO  25  -6.295 -14.033   1.320
   24    HG3  PRO  25           HG1      PRO  25  -6.933 -15.337   2.342
   25    HD2  PRO  25           HD2      PRO  25  -4.102 -14.483   1.951
   26    HD3  PRO  25           HD1      PRO  25  -4.950 -14.987   3.430
   27    H    SER  26           HN       SER  26  -3.240 -16.151  -0.222
   28    HA   SER  26           HA       SER  26  -2.844 -18.499  -1.932
   29    HB2  SER  26           HB2      SER  26  -2.903 -15.682  -3.047
   30    HB3  SER  26           HB1      SER  26  -2.849 -17.203  -3.925
   31    HG   SER  26           HG       SER  26  -4.938 -17.644  -2.871
   32    H    SER  27           HN       SER  27  -0.704 -17.980  -3.365
   33    HA   SER  27           HA       SER  27   1.391 -17.518  -1.479
   34    HB2  SER  27           HB2      SER  27   1.570 -17.882  -4.447
   35    HB3  SER  27           HB1      SER  27   2.845 -18.180  -3.263
   36    HG   SER  27           HG       SER  27   0.910 -19.602  -2.393
   37    H    THR  28           HN       THR  28  -0.334 -15.590  -3.700
   38    HA   THR  28           HA       THR  28   1.540 -13.539  -4.148
   39    HB   THR  28           HB       THR  28  -1.487 -13.393  -4.088
   40    HG1  THR  28           HG1      THR  28   0.085 -13.882  -6.379
   41   HG21  THR  28          HG21      THR  28  -0.368 -11.218  -4.281
   42   HG22  THR  28          HG22      THR  28  -1.157 -11.638  -5.797
   43   HG23  THR  28          HG23      THR  28   0.587 -11.810  -5.624
   44    H    TRP  29           HN       TRP  29  -0.202 -14.529  -1.376
   45    HA   TRP  29           HA       TRP  29  -0.282 -11.932  -0.141
   46    HB2  TRP  29           HB2      TRP  29  -1.270 -14.658   0.643
   47    HB3  TRP  29           HB1      TRP  29  -1.293 -13.279   1.729
   48    HD1  TRP  29           HD1      TRP  29  -2.717 -14.372  -1.586
   49    HE1  TRP  29           HE1      TRP  29  -5.008 -13.194  -1.922
   50    HE3  TRP  29           HE3      TRP  29  -2.589 -11.576   2.425
   51    HZ2  TRP  29           HZ2      TRP  29  -6.510 -11.231  -0.558
   52    HZ3  TRP  29           HZ3      TRP  29  -4.552  -9.976   2.940
   53    HH2  TRP  29           HH2      TRP  29  -6.420  -9.881   1.450
   54    H    ILE  30           HN       ILE  30   1.038 -11.358   1.380
   55    HA   ILE  30           HA       ILE  30   3.267 -13.144   1.999
   56    HB   ILE  30           HB       ILE  30   3.167 -10.142   1.586
   57   HG12  ILE  30          HG12      ILE  30   4.375 -12.458   0.067
   58   HG13  ILE  30          HG11      ILE  30   3.026 -11.453  -0.409
   59   HG21  ILE  30          HG21      ILE  30   4.747 -10.709   3.401
   60   HG22  ILE  30          HG22      ILE  30   5.543 -10.093   1.965
   61   HG23  ILE  30          HG23      ILE  30   5.580 -11.829   2.314
   62   HD11  ILE  30          HD11      ILE  30   5.854 -10.595  -0.097
   63   HD12  ILE  30          HD12      ILE  30   4.484  -9.563  -0.544
   64   HD13  ILE  30          HD13      ILE  30   4.983 -10.882  -1.606
   65    H    GLN  31           HN       GLN  31   3.333 -13.771   4.032
   66    HA   GLN  31           HA       GLN  31   1.727 -12.435   6.055
   67    HB2  GLN  31           HB2      GLN  31   1.750 -14.945   5.878
   68    HB3  GLN  31           HB1      GLN  31   3.461 -14.895   6.292
   69    HG2  GLN  31           HG2      GLN  31   2.762 -13.906   8.459
   70    HG3  GLN  31           HG1      GLN  31   1.099 -14.110   7.922
   71   HE21  GLN  31          HE21      GLN  31   2.534 -15.279  10.012
   72   HE22  GLN  31          HE22      GLN  31   2.398 -17.009   9.865
   73    H    PHE  32           HN       PHE  32   2.506 -11.049   7.461
   74    HA   PHE  32           HA       PHE  32   5.287 -11.206   8.182
   75    HB2  PHE  32           HB2      PHE  32   5.063  -9.633   6.341
   76    HB3  PHE  32           HB1      PHE  32   3.856  -8.742   7.241
   77    HD1  PHE  32           HD2      PHE  32   7.381  -9.866   7.365
   78    HD2  PHE  32           HD1      PHE  32   4.482  -7.047   8.541
   79    HE1  PHE  32           HE2      PHE  32   9.180  -8.447   8.261
   80    HE2  PHE  32           HE1      PHE  32   6.265  -5.581   9.460
   81    HZ   PHE  32           HZ       PHE  32   8.641  -6.298   9.273
   82    H    GLN  33           HN       GLN  33   5.447 -11.176  10.254
   83    HA   GLN  33           HA       GLN  33   5.106 -11.127  12.408
   84    HB2  GLN  33           HB2      GLN  33   3.433  -8.672  11.862
   85    HB3  GLN  33           HB1      GLN  33   4.025  -9.173  13.443
   86    HG2  GLN  33           HG2      GLN  33   6.339  -8.995  12.555
   87    HG3  GLN  33           HG1      GLN  33   5.662  -8.323  11.074
   88   HE21  GLN  33          HE21      GLN  33   7.474  -7.175  12.954
   89   HE22  GLN  33          HE22      GLN  33   6.768  -5.735  13.567
   90    H    ASP  34           HN       ASP  34   1.934 -10.024  11.442
   91    HA   ASP  34           HA       ASP  34   0.717 -12.522  12.235
   92    HB2  ASP  34           HB2      ASP  34  -0.772 -11.500  13.940
   93    HB3  ASP  34           HB1      ASP  34   0.914 -11.471  14.420
   94    H    SER  35           HN       SER  35   0.976 -10.504  10.004
   95    HA   SER  35           HA       SER  35  -1.860 -10.381   9.356
   96    HB2  SER  35           HB2      SER  35   0.160  -8.226   8.823
   97    HB3  SER  35           HB1      SER  35  -1.484  -8.221   8.286
   98    HG   SER  35           HG       SER  35  -0.580  -8.119  10.984
   99    H    CYS  36           HN       CYS  36  -2.103 -10.034   7.003
  100    HA   CYS  36           HA       CYS  36   0.171 -11.003   5.379
  101    HB2  CYS  36           HB2      CYS  36  -1.793 -12.726   5.954
  102    HB3  CYS  36           HB1      CYS  36  -2.619 -11.732   4.748
  103    H    TYR  37           HN       TYR  37   0.386 -10.351   3.554
  104    HA   TYR  37           HA       TYR  37  -0.814  -7.732   3.015
  105    HB2  TYR  37           HB2      TYR  37   1.931  -8.837   2.965
  106    HB3  TYR  37           HB1      TYR  37   1.586  -7.355   2.207
  107    HD1  TYR  37           HD1      TYR  37   1.647  -9.118   5.172
  108    HD2  TYR  37           HD2      TYR  37   1.250  -5.454   3.448
  109    HE1  TYR  37           HE1      TYR  37   1.985  -8.181   7.424
  110    HE2  TYR  37           HE2      TYR  37   1.559  -4.297   5.643
  111    HH   TYR  37           HH       TYR  37   1.839  -4.573   7.726
  112    H    ILE  38           HN       ILE  38  -1.294  -7.262   0.952
  113    HA   ILE  38           HA       ILE  38  -0.126  -8.760  -1.199
  114    HB   ILE  38           HB       ILE  38  -2.091 -10.136  -0.693
  115   HG12  ILE  38          HG12      ILE  38  -2.391  -8.566  -3.265
  116   HG13  ILE  38          HG11      ILE  38  -1.310  -9.922  -3.007
  117   HG21  ILE  38          HG21      ILE  38  -4.359  -9.248  -1.024
  118   HG22  ILE  38          HG22      ILE  38  -3.674  -7.627  -1.185
  119   HG23  ILE  38          HG23      ILE  38  -3.514  -8.510   0.336
  120   HD11  ILE  38          HD11      ILE  38  -4.311 -10.016  -2.915
  121   HD12  ILE  38          HD12      ILE  38  -3.208 -11.366  -2.607
  122   HD13  ILE  38          HD13      ILE  38  -3.263 -10.627  -4.210
  123    H    PHE  39           HN       PHE  39   0.191  -7.534  -3.006
  124    HA   PHE  39           HA       PHE  39  -1.029  -4.843  -2.954
  125    HB2  PHE  39           HB2      PHE  39   1.601  -5.469  -3.465
  126    HB3  PHE  39           HB1      PHE  39   0.888  -5.567  -5.007
  127    HD1  PHE  39           HD1      PHE  39   0.597  -3.186  -2.208
  128    HD2  PHE  39           HD2      PHE  39   1.057  -3.792  -6.346
  129    HE1  PHE  39           HE1      PHE  39   0.674  -0.756  -2.531
  130    HE2  PHE  39           HE2      PHE  39   1.133  -1.344  -6.690
  131    HZ   PHE  39           HZ       PHE  39   0.934   0.165  -4.795
  132    H    LEU  40           HN       LEU  40  -2.645  -4.620  -4.299
  133    HA   LEU  40           HA       LEU  40  -2.322  -6.155  -6.565
  134    HB2  LEU  40           HB2      LEU  40  -4.965  -5.938  -6.659
  135    HB3  LEU  40           HB1      LEU  40  -4.162  -7.352  -6.011
  136    HG   LEU  40           HG       LEU  40  -6.069  -6.775  -4.675
  137   HD11  LEU  40          HD11      LEU  40  -3.567  -6.045  -3.262
  138   HD12  LEU  40          HD12      LEU  40  -4.242  -7.649  -3.436
  139   HD13  LEU  40          HD13      LEU  40  -5.087  -6.426  -2.465
  140   HD21  LEU  40          HD21      LEU  40  -6.327  -4.421  -5.238
  141   HD22  LEU  40          HD22      LEU  40  -4.889  -4.025  -4.302
  142   HD23  LEU  40          HD23      LEU  40  -6.326  -4.648  -3.492
  143    H    GLN  41           HN       GLN  41  -1.522  -4.714  -7.795
  144    HA   GLN  41           HA       GLN  41  -2.555  -2.122  -7.941
  145    HB2  GLN  41           HB2      GLN  41  -0.934  -3.665  -9.933
  146    HB3  GLN  41           HB1      GLN  41  -1.440  -1.998 -10.217
  147    HG2  GLN  41           HG2      GLN  41  -0.359  -1.316  -8.171
  148    HG3  GLN  41           HG1      GLN  41   0.130  -2.982  -7.876
  149   HE21  GLN  41          HE21      GLN  41   2.381  -2.350  -7.777
  150   HE22  GLN  41          HE22      GLN  41   3.137  -1.870  -9.253
  151    H    GLU  42           HN       GLU  42  -4.667  -2.139  -8.037
  152    HA   GLU  42           HA       GLU  42  -6.067  -3.088 -10.441
  153    HB2  GLU  42           HB2      GLU  42  -7.037  -2.431  -7.694
  154    HB3  GLU  42           HB1      GLU  42  -8.112  -2.866  -8.993
  155    HG2  GLU  42           HG2      GLU  42  -5.945  -4.674  -7.903
  156    HG3  GLU  42           HG1      GLU  42  -7.625  -4.769  -7.407
  157    H    ALA  43           HN       ALA  43  -6.282  -1.436 -11.801
  158    HA   ALA  43           HA       ALA  43  -6.435   1.333 -10.932
  159    HB1  ALA  43           HB1      ALA  43  -6.672   1.849 -13.319
  160    HB2  ALA  43           HB2      ALA  43  -6.842   0.137 -13.684
  161    HB3  ALA  43           HB3      ALA  43  -5.316   0.755 -13.056
  162    H    ILE  44           HN       ILE  44  -8.243   2.164 -10.208
  163    HA   ILE  44           HA       ILE  44 -10.831   1.445 -11.337
  164    HB   ILE  44           HB       ILE  44 -11.960   1.080  -9.248
  165   HG12  ILE  44          HG12      ILE  44  -9.349   1.290  -7.770
  166   HG13  ILE  44          HG11      ILE  44 -10.500   2.619  -7.914
  167   HG21  ILE  44          HG21      ILE  44  -9.498  -0.662  -9.306
  168   HG22  ILE  44          HG22      ILE  44 -10.986  -0.946 -10.190
  169   HG23  ILE  44          HG23      ILE  44 -10.977  -1.028  -8.435
  170   HD11  ILE  44          HD11      ILE  44 -12.196   1.258  -6.838
  171   HD12  ILE  44          HD12      ILE  44 -10.783   1.481  -5.805
  172   HD13  ILE  44          HD13      ILE  44 -11.034  -0.055  -6.650
  173    H    LYS  45           HN       LYS  45 -12.506   2.986 -10.792
  174    HA   LYS  45           HA       LYS  45 -11.579   5.626 -10.665
  175    HB2  LYS  45           HB2      LYS  45 -13.715   4.957 -11.729
  176    HB3  LYS  45           HB1      LYS  45 -14.366   4.585 -10.133
  177    HG2  LYS  45           HG2      LYS  45 -15.205   6.723 -10.664
  178    HG3  LYS  45           HG1      LYS  45 -13.868   7.007  -9.545
  179    HD2  LYS  45           HD2      LYS  45 -12.386   7.393 -11.476
  180    HD3  LYS  45           HD1      LYS  45 -13.768   7.233 -12.547
  181    HE2  LYS  45           HE2      LYS  45 -13.280   9.385 -10.487
  182    HE3  LYS  45           HE1      LYS  45 -13.383   9.563 -12.233
  183    HZ1  LYS  45           HZ1      LYS  45 -15.541   9.002 -10.314
  184    HZ2  LYS  45           HZ2      LYS  45 -15.786   8.777 -11.962
  185    HZ3  LYS  45           HZ3      LYS  45 -15.430  10.312 -11.351
  186    H    VAL  46           HN       VAL  46 -10.678   6.292  -8.837
  187    HA   VAL  46           HA       VAL  46 -11.802   5.471  -6.281
  188    HB   VAL  46           HB       VAL  46  -9.207   6.906  -6.839
  189   HG11  VAL  46          HG11      VAL  46 -10.196   5.620  -4.307
  190   HG12  VAL  46          HG12      VAL  46 -10.174   7.331  -4.605
  191   HG13  VAL  46          HG13      VAL  46  -8.650   6.437  -4.532
  192   HG21  VAL  46          HG21      VAL  46  -9.793   4.037  -6.241
  193   HG22  VAL  46          HG22      VAL  46  -8.169   4.740  -6.345
  194   HG23  VAL  46          HG23      VAL  46  -9.226   4.697  -7.771
  195    H    GLU  47           HN       GLU  47 -13.242   6.664  -5.636
  196    HA   GLU  47           HA       GLU  47 -13.432   9.490  -6.250
  197    HB2  GLU  47           HB2      GLU  47 -15.244   7.577  -4.766
  198    HB3  GLU  47           HB1      GLU  47 -15.529   9.279  -5.069
  199    HG2  GLU  47           HG2      GLU  47 -14.874   7.521  -7.079
  200    HG3  GLU  47           HG1      GLU  47 -16.604   7.579  -6.627
  201    H    SER  48           HN       SER  48 -12.814   7.296  -3.629
  202    HA   SER  48           HA       SER  48 -11.881   9.438  -1.924
  203    HB2  SER  48           HB2      SER  48 -13.927   7.357  -1.182
  204    HB3  SER  48           HB1      SER  48 -13.005   8.394  -0.081
  205    HG   SER  48           HG       SER  48 -13.905  10.167  -1.113
  206    H    ILE  49           HN       ILE  49 -10.561   8.434  -0.183
  207    HA   ILE  49           HA       ILE  49  -9.070   6.353  -1.252
  208    HB   ILE  49           HB       ILE  49  -8.169   7.965   0.330
  209   HG12  ILE  49          HG12      ILE  49  -7.997   5.050   1.052
  210   HG13  ILE  49          HG11      ILE  49  -7.183   5.914  -0.017
  211   HG21  ILE  49          HG21      ILE  49  -8.606   7.352   2.731
  212   HG22  ILE  49          HG22      ILE  49 -10.099   6.626   2.023
  213   HG23  ILE  49          HG23      ILE  49  -9.782   8.383   1.859
  214   HD11  ILE  49          HD11      ILE  49  -6.868   6.779   2.846
  215   HD12  ILE  49          HD12      ILE  49  -6.040   7.415   1.461
  216   HD13  ILE  49          HD13      ILE  49  -5.712   5.757   1.975
  217    H    GLU  50           HN       GLU  50 -11.730   6.482   0.635
  218    HA   GLU  50           HA       GLU  50 -12.088   3.887   1.667
  219    HB2  GLU  50           HB2      GLU  50 -14.189   5.606   0.355
  220    HB3  GLU  50           HB1      GLU  50 -14.522   4.251   1.414
  221    HG2  GLU  50           HG2      GLU  50 -12.968   6.628   2.355
  222    HG3  GLU  50           HG1      GLU  50 -14.727   6.619   2.307
  223    H    ASP  51           HN       ASP  51 -12.410   5.073  -1.707
  224    HA   ASP  51           HA       ASP  51 -13.720   2.839  -2.801
  225    HB2  ASP  51           HB2      ASP  51 -12.176   5.159  -3.853
  226    HB3  ASP  51           HB1      ASP  51 -12.646   3.900  -4.907
  227    H    VAL  52           HN       VAL  52 -10.444   3.779  -2.254
  228    HA   VAL  52           HA       VAL  52  -9.451   1.736  -4.018
  229    HB   VAL  52           HB       VAL  52  -8.237   3.801  -4.094
  230   HG11  VAL  52          HG11      VAL  52  -7.286   4.963  -2.376
  231   HG12  VAL  52          HG12      VAL  52  -8.185   3.902  -1.246
  232   HG13  VAL  52          HG13      VAL  52  -9.046   4.838  -2.480
  233   HG21  VAL  52          HG21      VAL  52  -6.821   1.712  -2.537
  234   HG22  VAL  52          HG22      VAL  52  -5.985   3.164  -3.088
  235   HG23  VAL  52          HG23      VAL  52  -6.646   2.028  -4.278
  236    H    ARG  53           HN       ARG  53  -9.891   2.441  -0.744
  237    HA   ARG  53           HA       ARG  53  -8.302   0.399   0.233
  238    HB2  ARG  53           HB2      ARG  53  -8.986   1.482   2.367
  239    HB3  ARG  53           HB1      ARG  53  -9.172   2.617   1.132
  240    HG2  ARG  53           HG2      ARG  53 -10.834   2.819   2.560
  241    HG3  ARG  53           HG1      ARG  53 -11.424   2.104   1.004
  242    HD2  ARG  53           HD2      ARG  53 -11.932   0.105   2.066
  243    HD3  ARG  53           HD1      ARG  53 -10.470   0.403   3.044
  244    HE   ARG  53           HE       ARG  53 -11.573   1.438   4.607
  245   HH11  ARG  53          HH11      ARG  53 -13.869   0.736   1.942
  246   HH12  ARG  53          HH12      ARG  53 -15.252   1.051   2.873
  247   HH21  ARG  53          HH21      ARG  53 -13.534   1.852   5.854
  248   HH22  ARG  53          HH22      ARG  53 -15.065   1.700   5.134
  249    H    ASN  54           HN       ASN  54 -11.344   0.594  -1.116
  250    HA   ASN  54           HA       ASN  54 -12.695  -1.732  -0.229
  251    HB2  ASN  54           HB2      ASN  54 -12.803  -0.111  -2.691
  252    HB3  ASN  54           HB1      ASN  54 -13.790  -1.578  -2.589
  253   HD21  ASN  54          HD21      ASN  54 -14.794   0.997  -2.954
  254   HD22  ASN  54          HD22      ASN  54 -15.690   1.465  -1.555
  255    H    GLN  55           HN       GLN  55 -10.111  -1.259  -2.483
  256    HA   GLN  55           HA       GLN  55 -10.385  -3.648  -3.953
  257    HB2  GLN  55           HB2      GLN  55  -7.863  -2.130  -3.285
  258    HB3  GLN  55           HB1      GLN  55  -8.075  -3.281  -4.592
  259    HG2  GLN  55           HG2      GLN  55  -9.723  -1.775  -5.624
  260    HG3  GLN  55           HG1      GLN  55  -9.480  -0.664  -4.307
  261   HE21  GLN  55          HE21      GLN  55  -8.807   0.963  -5.715
  262   HE22  GLN  55          HE22      GLN  55  -7.217   0.957  -6.399
  263    H    CYS  56           HN       CYS  56  -8.918  -2.820  -0.879
  264    HA   CYS  56           HA       CYS  56  -7.691  -5.363  -0.613
  265    HB2  CYS  56           HB2      CYS  56  -7.970  -3.128   1.396
  266    HB3  CYS  56           HB1      CYS  56  -7.098  -4.598   1.518
  267    H    THR  57           HN       THR  57 -10.511  -3.674   0.723
  268    HA   THR  57           HA       THR  57 -11.101  -5.622   2.637
  269    HB   THR  57           HB       THR  57 -13.294  -4.534   2.734
  270    HG1  THR  57           HG1      THR  57 -13.866  -3.193   1.137
  271   HG21  THR  57          HG21      THR  57 -10.922  -2.696   2.568
  272   HG22  THR  57          HG22      THR  57 -11.409  -3.613   3.985
  273   HG23  THR  57          HG23      THR  57 -12.429  -2.289   3.392
  274    H    ASP  58           HN       ASP  58 -11.543  -5.426  -0.623
  275    HA   ASP  58           HA       ASP  58 -13.689  -7.212  -1.120
  276    HB2  ASP  58           HB2      ASP  58 -12.703  -5.683  -2.809
  277    HB3  ASP  58           HB1      ASP  58 -11.244  -6.660  -2.819
  278    H    HIS  59           HN       HIS  59 -10.484  -7.723  -0.020
  279    HA   HIS  59           HA       HIS  59 -10.609 -10.606  -0.628
  280    HB2  HIS  59           HB2      HIS  59  -8.160  -9.021   0.216
  281    HB3  HIS  59           HB1      HIS  59  -8.257 -10.713  -0.200
  282    HD1  HIS  59           HD1      HIS  59  -7.718 -11.292  -2.641
  283    HD2  HIS  59           HD2      HIS  59  -8.574  -7.279  -2.053
  284    HE1  HIS  59           HE1      HIS  59  -7.127 -10.116  -4.789
  285    HE2  HIS  59           HE2      HIS  59  -8.154  -7.905  -4.500
  286    H    GLY  60           HN       GLY  60 -11.649  -8.726   1.655
  287    HA2  GLY  60           HA2      GLY  60 -12.054  -9.050   3.902
  288    HA3  GLY  60           HA1      GLY  60 -11.157 -10.568   3.769
  289    H    ALA  61           HN       ALA  61  -9.688  -7.758   2.636
  290    HA   ALA  61           HA       ALA  61  -7.920  -7.641   4.990
  291    HB1  ALA  61           HB1      ALA  61  -7.275  -7.051   2.092
  292    HB2  ALA  61           HB2      ALA  61  -6.782  -8.502   2.954
  293    HB3  ALA  61           HB3      ALA  61  -6.141  -6.925   3.436
  294    H    ASP  62           HN       ASP  62  -6.791  -5.298   4.855
  295    HA   ASP  62           HA       ASP  62  -8.664  -3.379   3.760
  296    HB2  ASP  62           HB2      ASP  62  -8.880  -3.801   6.403
  297    HB3  ASP  62           HB1      ASP  62  -7.457  -2.755   6.440
  298    H    MET  63           HN       MET  63  -7.393  -1.158   3.913
  299    HA   MET  63           HA       MET  63  -4.993  -1.734   2.489
  300    HB2  MET  63           HB2      MET  63  -5.900   0.955   3.558
  301    HB3  MET  63           HB1      MET  63  -4.458   0.718   2.584
  302    HG2  MET  63           HG2      MET  63  -5.832  -0.098   0.739
  303    HG3  MET  63           HG1      MET  63  -7.250   0.161   1.769
  304    HE1  MET  63           HE1      MET  63  -4.547   3.643   0.321
  305    HE2  MET  63           HE2      MET  63  -4.250   2.033  -0.249
  306    HE3  MET  63           HE3      MET  63  -4.022   2.425   1.472
  307    H    ILE  64           HN       ILE  64  -2.939  -1.346   2.927
  308    HA   ILE  64           HA       ILE  64  -1.681  -2.392   5.045
  309    HB   ILE  64           HB       ILE  64  -0.397  -1.959   3.197
  310   HG12  ILE  64          HG12      ILE  64   0.299   0.071   5.221
  311   HG13  ILE  64          HG11      ILE  64   0.955  -1.634   5.148
  312   HG21  ILE  64          HG21      ILE  64  -1.687  -0.322   2.102
  313   HG22  ILE  64          HG22      ILE  64  -0.034   0.272   2.194
  314   HG23  ILE  64          HG23      ILE  64  -1.269   0.905   3.301
  315   HD11  ILE  64          HD11      ILE  64   2.630  -0.002   4.486
  316   HD12  ILE  64          HD12      ILE  64   1.540   0.618   3.223
  317   HD13  ILE  64          HD13      ILE  64   2.127  -1.047   3.172
  318    H    SER  65           HN       SER  65  -0.760  -1.763   7.003
  319    HA   SER  65           HA       SER  65  -1.100   0.913   7.875
  320    HB2  SER  65           HB2      SER  65  -2.152  -0.055  10.075
  321    HB3  SER  65           HB1      SER  65  -3.184   0.227   8.664
  322    HG   SER  65           HG       SER  65  -3.166  -1.884   8.206
  323    H    ILE  66           HN       ILE  66   0.647   1.555   8.910
  324    HA   ILE  66           HA       ILE  66   2.696  -0.442   9.440
  325    HB   ILE  66           HB       ILE  66   2.914   2.559   9.163
  326   HG12  ILE  66          HG12      ILE  66   3.380   0.281   7.256
  327   HG13  ILE  66          HG11      ILE  66   2.061   1.402   7.118
  328   HG21  ILE  66          HG21      ILE  66   5.295   2.144   9.012
  329   HG22  ILE  66          HG22      ILE  66   4.987   0.414   9.092
  330   HG23  ILE  66          HG23      ILE  66   4.675   1.409  10.494
  331   HD11  ILE  66          HD11      ILE  66   4.996   1.950   6.786
  332   HD12  ILE  66          HD12      ILE  66   3.717   3.164   6.622
  333   HD13  ILE  66          HD13      ILE  66   3.798   1.797   5.504
  334    H    HIS  67           HN       HIS  67   3.088  -1.000  11.314
  335    HA   HIS  67           HA       HIS  67   2.597   0.912  13.443
  336    HB2  HIS  67           HB2      HIS  67   2.300  -2.091  13.524
  337    HB3  HIS  67           HB1      HIS  67   2.347  -1.090  14.973
  338    HD1  HIS  67           HD1      HIS  67   0.178  -0.016  15.674
  339    HD2  HIS  67           HD2      HIS  67   0.021  -1.484  11.793
  340    HE1  HIS  67           HE1      HIS  67  -2.157   0.329  14.926
  341    HE2  HIS  67           HE2      HIS  67  -2.300  -0.943  12.797
  342    H    ASN  68           HN       ASN  68   5.084  -0.311  11.664
  343    HA   ASN  68           HA       ASN  68   7.006   0.487  13.610
  344    HB2  ASN  68           HB2      ASN  68   7.058  -2.404  12.695
  345    HB3  ASN  68           HB1      ASN  68   8.350  -1.632  13.585
  346   HD21  ASN  68          HD21      ASN  68   5.311  -3.124  13.621
  347   HD22  ASN  68          HD22      ASN  68   5.217  -3.417  15.309
  348    H    GLU  69           HN       GLU  69   9.233   0.297  12.668
  349    HA   GLU  69           HA       GLU  69   9.217   0.993   9.971
  350    HB2  GLU  69           HB2      GLU  69  11.567   0.771  10.069
  351    HB3  GLU  69           HB1      GLU  69  11.032   1.762  11.450
  352    HG2  GLU  69           HG2      GLU  69  11.332  -0.328  12.750
  353    HG3  GLU  69           HG1      GLU  69  11.995  -1.082  11.314
  354    H    GLU  70           HN       GLU  70   9.421  -2.021  11.731
  355    HA   GLU  70           HA       GLU  70  10.554  -3.668  10.050
  356    HB2  GLU  70           HB2      GLU  70   8.512  -3.530  12.070
  357    HB3  GLU  70           HB1      GLU  70   8.540  -5.053  11.312
  358    HG2  GLU  70           HG2      GLU  70  10.641  -3.632  12.923
  359    HG3  GLU  70           HG1      GLU  70   9.871  -5.179  13.278
  360    H    GLU  71           HN       GLU  71   7.195  -2.586  10.359
  361    HA   GLU  71           HA       GLU  71   6.053  -4.007   8.193
  362    HB2  GLU  71           HB2      GLU  71   4.991  -2.588  10.290
  363    HB3  GLU  71           HB1      GLU  71   5.113  -1.354   9.099
  364    HG2  GLU  71           HG2      GLU  71   3.382  -3.826   8.620
  365    HG3  GLU  71           HG1      GLU  71   2.880  -2.279   9.249
  366    H    ASN  72           HN       ASN  72   7.181  -0.631   8.646
  367    HA   ASN  72           HA       ASN  72   6.402   0.412   6.242
  368    HB2  ASN  72           HB2      ASN  72   7.171   1.749   8.208
  369    HB3  ASN  72           HB1      ASN  72   8.790   1.141   7.920
  370   HD21  ASN  72          HD21      ASN  72  10.026   1.984   6.342
  371   HD22  ASN  72          HD22      ASN  72   9.526   3.294   5.336
  372    H    ALA  73           HN       ALA  73   9.521  -0.856   7.189
  373    HA   ALA  73           HA       ALA  73  10.721  -0.470   4.638
  374    HB1  ALA  73           HB1      ALA  73  11.615  -2.085   6.983
  375    HB2  ALA  73           HB2      ALA  73  11.925  -0.380   6.702
  376    HB3  ALA  73           HB3      ALA  73  12.608  -1.601   5.581
  377    H    PHE  74           HN       PHE  74   9.048  -3.104   6.176
  378    HA   PHE  74           HA       PHE  74   9.745  -5.244   4.517
  379    HB2  PHE  74           HB2      PHE  74   8.270  -5.729   6.581
  380    HB3  PHE  74           HB1      PHE  74   7.295  -4.451   5.929
  381    HD1  PHE  74           HD2      PHE  74   8.519  -7.759   4.738
  382    HD2  PHE  74           HD1      PHE  74   5.454  -4.981   5.450
  383    HE1  PHE  74           HE2      PHE  74   6.856  -9.362   3.858
  384    HE2  PHE  74           HE1      PHE  74   3.884  -6.353   4.684
  385    HZ   PHE  74           HZ       PHE  74   4.467  -8.689   3.801
  386    H    ILE  75           HN       ILE  75   7.249  -2.891   4.417
  387    HA   ILE  75           HA       ILE  75   5.640  -3.802   2.183
  388    HB   ILE  75           HB       ILE  75   6.066  -0.982   3.166
  389   HG12  ILE  75          HG12      ILE  75   5.578  -2.383   5.020
  390   HG13  ILE  75          HG11      ILE  75   4.242  -1.314   4.668
  391   HG21  ILE  75          HG21      ILE  75   4.818  -1.122   1.117
  392   HG22  ILE  75          HG22      ILE  75   3.855  -0.670   2.568
  393   HG23  ILE  75          HG23      ILE  75   3.762  -2.317   1.939
  394   HD11  ILE  75          HD11      ILE  75   3.543  -3.467   5.310
  395   HD12  ILE  75          HD12      ILE  75   4.415  -4.208   3.938
  396   HD13  ILE  75          HD13      ILE  75   3.046  -3.120   3.654
  397    H    LEU  76           HN       LEU  76   8.041  -1.619   2.751
  398    HA   LEU  76           HA       LEU  76   8.365  -0.397   0.382
  399    HB2  LEU  76           HB2      LEU  76   9.328  -0.400   2.802
  400    HB3  LEU  76           HB1      LEU  76  10.708  -1.043   1.982
  401    HG   LEU  76           HG       LEU  76  10.039   1.055   0.392
  402   HD11  LEU  76          HD11      LEU  76   8.007   1.278   1.496
  403   HD12  LEU  76          HD12      LEU  76   8.943   2.777   1.569
  404   HD13  LEU  76          HD13      LEU  76   8.814   1.717   2.984
  405   HD21  LEU  76          HD21      LEU  76  11.333   1.576   3.043
  406   HD22  LEU  76          HD22      LEU  76  11.319   2.581   1.563
  407   HD23  LEU  76          HD23      LEU  76  12.148   1.019   1.551
  408    H    ASP  77           HN       ASP  77   9.944  -3.278   1.594
  409    HA   ASP  77           HA       ASP  77  11.409  -3.662  -0.966
  410    HB2  ASP  77           HB2      ASP  77  12.547  -5.496   0.113
  411    HB3  ASP  77           HB1      ASP  77  12.305  -4.265   1.459
  412    H    THR  78           HN       THR  78   8.744  -4.820   0.605
  413    HA   THR  78           HA       THR  78   8.730  -7.370  -0.674
  414    HB   THR  78           HB       THR  78   6.936  -5.937   1.204
  415    HG1  THR  78           HG1      THR  78   8.674  -6.771   2.110
  416   HG21  THR  78          HG21      THR  78   5.569  -7.953   1.396
  417   HG22  THR  78          HG22      THR  78   6.483  -8.672   0.059
  418   HG23  THR  78          HG23      THR  78   5.471  -7.257  -0.226
  419    H    LEU  79           HN       LEU  79   7.287  -4.359  -1.046
  420    HA   LEU  79           HA       LEU  79   5.261  -4.806  -2.688
  421    HB2  LEU  79           HB2      LEU  79   6.463  -2.797  -1.610
  422    HB3  LEU  79           HB1      LEU  79   7.048  -2.516  -3.206
  423    HG   LEU  79           HG       LEU  79   5.112  -1.269  -3.161
  424   HD11  LEU  79          HD11      LEU  79   3.289  -2.363  -4.226
  425   HD12  LEU  79          HD12      LEU  79   3.784  -3.898  -3.543
  426   HD13  LEU  79          HD13      LEU  79   4.773  -3.163  -4.804
  427   HD21  LEU  79          HD21      LEU  79   4.159  -3.236  -1.090
  428   HD22  LEU  79          HD22      LEU  79   3.139  -1.945  -1.730
  429   HD23  LEU  79          HD23      LEU  79   4.611  -1.530  -0.872
  430    H    LYS  80           HN       LYS  80   8.506  -3.815  -3.494
  431    HA   LYS  80           HA       LYS  80   8.452  -4.400  -6.279
  432    HB2  LYS  80           HB2      LYS  80  10.637  -3.845  -4.364
  433    HB3  LYS  80           HB1      LYS  80  10.861  -3.831  -6.135
  434    HG2  LYS  80           HG2      LYS  80  10.226  -1.689  -6.082
  435    HG3  LYS  80           HG1      LYS  80   8.643  -2.251  -5.540
  436    HD2  LYS  80           HD2      LYS  80   9.374  -0.763  -3.992
  437    HD3  LYS  80           HD1      LYS  80   9.547  -2.334  -3.263
  438    HE2  LYS  80           HE2      LYS  80  11.914  -2.463  -3.709
  439    HE3  LYS  80           HE1      LYS  80  11.911  -0.923  -4.575
  440    HZ1  LYS  80           HZ1      LYS  80  11.291  -1.291  -1.689
  441    HZ2  LYS  80           HZ2      LYS  80  11.596   0.210  -2.427
  442    HZ3  LYS  80           HZ3      LYS  80  12.809  -0.926  -2.263
  443    H    LYS  81           HN       LYS  81   8.997  -6.376  -3.607
  444    HA   LYS  81           HA       LYS  81  10.979  -8.101  -4.761
  445    HB2  LYS  81           HB2      LYS  81  10.819  -7.508  -2.425
  446    HB3  LYS  81           HB1      LYS  81   9.278  -8.323  -2.336
  447    HG2  LYS  81           HG2      LYS  81  10.340 -10.431  -2.758
  448    HG3  LYS  81           HG1      LYS  81  11.865  -9.574  -3.019
  449    HD2  LYS  81           HD2      LYS  81  12.046 -10.247  -0.725
  450    HD3  LYS  81           HD1      LYS  81  11.460  -8.612  -0.682
  451    HE2  LYS  81           HE2      LYS  81   9.167  -9.603  -0.793
  452    HE3  LYS  81           HE1      LYS  81   9.914 -11.101  -0.319
  453    HZ1  LYS  81           HZ1      LYS  81   9.148  -9.792   1.649
  454    HZ2  LYS  81           HZ2      LYS  81  10.311  -8.617   1.262
  455    HZ3  LYS  81           HZ3      LYS  81  10.781 -10.177   1.665
  456    H    GLN  82           HN       GLN  82   7.681  -8.432  -3.766
  457    HA   GLN  82           HA       GLN  82   7.382 -11.017  -5.169
  458    HB2  GLN  82           HB2      GLN  82   6.539 -10.579  -2.878
  459    HB3  GLN  82           HB1      GLN  82   5.350  -9.497  -3.591
  460    HG2  GLN  82           HG2      GLN  82   4.204 -11.533  -3.314
  461    HG3  GLN  82           HG1      GLN  82   4.640 -11.467  -5.008
  462   HE21  GLN  82          HE21      GLN  82   5.560 -12.852  -1.929
  463   HE22  GLN  82          HE22      GLN  82   6.313 -14.246  -2.577
  464    H    TRP  83           HN       TRP  83   6.048  -7.750  -5.179
  465    HA   TRP  83           HA       TRP  83   4.427  -8.463  -7.492
  466    HB2  TRP  83           HB2      TRP  83   4.079  -6.082  -5.586
  467    HB3  TRP  83           HB1      TRP  83   2.951  -6.665  -6.803
  468    HD1  TRP  83           HD1      TRP  83   2.098  -9.442  -6.196
  469    HE1  TRP  83           HE1      TRP  83   1.339 -10.269  -3.819
  470    HE3  TRP  83           HE3      TRP  83   4.155  -5.893  -3.426
  471    HZ2  TRP  83           HZ2      TRP  83   1.585  -9.482  -1.193
  472    HZ3  TRP  83           HZ3      TRP  83   3.898  -5.897  -0.925
  473    HH2  TRP  83           HH2      TRP  83   2.629  -7.645   0.169
  474    H    LYS  84           HN       LYS  84   4.075  -5.737  -8.320
  475    HA   LYS  84           HA       LYS  84   6.516  -5.350  -9.791
  476    HB2  LYS  84           HB2      LYS  84   4.148  -3.524  -9.482
  477    HB3  LYS  84           HB1      LYS  84   5.466  -3.313 -10.619
  478    HG2  LYS  84           HG2      LYS  84   4.791  -5.253 -11.846
  479    HG3  LYS  84           HG1      LYS  84   3.591  -5.662 -10.614
  480    HD2  LYS  84           HD2      LYS  84   2.472  -4.580 -12.485
  481    HD3  LYS  84           HD1      LYS  84   2.436  -3.531 -11.067
  482    HE2  LYS  84           HE2      LYS  84   4.453  -2.342 -12.030
  483    HE3  LYS  84           HE1      LYS  84   4.202  -3.287 -13.490
  484    HZ1  LYS  84           HZ1      LYS  84   1.998  -2.297 -13.712
  485    HZ2  LYS  84           HZ2      LYS  84   3.166  -1.102 -13.640
  486    HZ3  LYS  84           HZ3      LYS  84   2.229  -1.420 -12.296
  487    H    GLY  85           HN       GLY  85   4.862  -3.031  -7.758
  488    HA2  GLY  85           HA2      GLY  85   5.468  -1.994  -6.258
  489    HA3  GLY  85           HA1      GLY  85   6.963  -2.151  -5.961
  490    HA   PRO  86           HA       PRO  86   5.952   1.420  -8.764
  491    HB2  PRO  86           HB2      PRO  86   4.065   2.841  -7.562
  492    HB3  PRO  86           HB1      PRO  86   3.765   1.250  -8.356
  493    HG2  PRO  86           HG2      PRO  86   3.908   1.740  -5.428
  494    HG3  PRO  86           HG1      PRO  86   2.826   0.703  -6.404
  495    HD2  PRO  86           HD2      PRO  86   5.236  -0.072  -5.153
  496    HD3  PRO  86           HD1      PRO  86   4.129  -0.935  -6.219
  497    H    ASP  87           HN       ASP  87   6.150   3.843  -8.103
  498    HA   ASP  87           HA       ASP  87   8.541   4.101  -6.607
  499    HB2  ASP  87           HB2      ASP  87   6.625   6.109  -7.695
  500    HB3  ASP  87           HB1      ASP  87   8.018   6.600  -6.750
  501    H    ASP  88           HN       ASP  88   5.260   4.637  -5.824
  502    HA   ASP  88           HA       ASP  88   5.764   4.392  -3.041
  503    HB2  ASP  88           HB2      ASP  88   4.593   6.453  -2.375
  504    HB3  ASP  88           HB1      ASP  88   6.160   6.744  -3.074
  505    H    ILE  89           HN       ILE  89   4.222   3.624  -2.010
  506    HA   ILE  89           HA       ILE  89   1.857   2.701  -3.531
  507    HB   ILE  89           HB       ILE  89   1.635   0.986  -1.887
  508   HG12  ILE  89          HG12      ILE  89   2.940   2.661  -0.419
  509   HG13  ILE  89          HG11      ILE  89   2.657   1.104   0.217
  510   HG21  ILE  89          HG21      ILE  89   3.692  -0.232  -2.402
  511   HG22  ILE  89          HG22      ILE  89   4.410   1.273  -2.975
  512   HG23  ILE  89          HG23      ILE  89   3.022   0.561  -3.823
  513   HD11  ILE  89          HD11      ILE  89   5.055   2.269  -1.235
  514   HD12  ILE  89          HD12      ILE  89   5.127   0.664  -0.486
  515   HD13  ILE  89          HD13      ILE  89   4.965   2.144   0.485
  516    H    LEU  90           HN       LEU  90  -0.250   2.801  -2.450
  517    HA   LEU  90           HA       LEU  90  -0.283   5.064  -0.836
  518    HB2  LEU  90           HB2      LEU  90  -2.289   3.659  -2.418
  519    HB3  LEU  90           HB1      LEU  90  -2.754   3.562  -0.847
  520    HG   LEU  90           HG       LEU  90  -2.243   6.219  -2.085
  521   HD11  LEU  90          HD11      LEU  90  -3.942   5.012  -3.197
  522   HD12  LEU  90          HD12      LEU  90  -4.640   6.313  -2.244
  523   HD13  LEU  90          HD13      LEU  90  -4.753   4.634  -1.675
  524   HD21  LEU  90          HD21      LEU  90  -3.564   7.022  -0.228
  525   HD22  LEU  90          HD22      LEU  90  -2.118   6.164   0.332
  526   HD23  LEU  90          HD23      LEU  90  -3.690   5.372   0.392
  527    H    LEU  91           HN       LEU  91  -0.603   5.233   1.231
  528    HA   LEU  91           HA       LEU  91  -0.147   2.874   2.870
  529    HB2  LEU  91           HB2      LEU  91  -0.294   5.861   3.444
  530    HB3  LEU  91           HB1      LEU  91  -0.957   4.785   4.371
  531    HG   LEU  91           HG       LEU  91   0.722   3.958   5.479
  532   HD11  LEU  91          HD11      LEU  91   1.614   2.594   3.798
  533   HD12  LEU  91          HD12      LEU  91   2.935   3.509   4.533
  534   HD13  LEU  91          HD13      LEU  91   2.313   3.977   2.957
  535   HD21  LEU  91          HD21      LEU  91   1.038   6.368   5.560
  536   HD22  LEU  91          HD22      LEU  91   2.152   6.258   4.200
  537   HD23  LEU  91          HD23      LEU  91   2.553   5.498   5.732
  538    H    GLY  92           HN       GLY  92  -1.558   2.648   4.531
  539    HA2  GLY  92           HA2      GLY  92  -4.189   2.865   3.426
  540    HA3  GLY  92           HA1      GLY  92  -3.901   1.690   4.647
  541    H    MET  93           HN       MET  93  -3.632   5.142   4.142
  542    HA   MET  93           HA       MET  93  -4.367   5.519   6.819
  543    HB2  MET  93           HB2      MET  93  -2.371   5.833   7.107
  544    HB3  MET  93           HB1      MET  93  -1.927   6.372   5.442
  545    HG2  MET  93           HG2      MET  93  -3.239   8.402   6.188
  546    HG3  MET  93           HG1      MET  93  -2.983   7.804   7.841
  547    HE1  MET  93           HE1      MET  93  -0.325   7.262   8.690
  548    HE2  MET  93           HE2      MET  93   1.049   7.554   7.621
  549    HE3  MET  93           HE3      MET  93  -0.187   6.364   7.197
  550    H    PHE  94           HN       PHE  94  -5.802   7.119   7.023
  551    HA   PHE  94           HA       PHE  94  -6.317   8.615   4.589
  552    HB2  PHE  94           HB2      PHE  94  -8.711   8.389   4.917
  553    HB3  PHE  94           HB1      PHE  94  -7.944   6.875   4.925
  554    HD1  PHE  94           HD1      PHE  94  -7.718   5.759   6.793
  555    HD2  PHE  94           HD2      PHE  94  -9.959   9.200   6.862
  556    HE1  PHE  94           HE1      PHE  94  -8.849   4.871   8.822
  557    HE2  PHE  94           HE2      PHE  94 -11.132   8.442   8.900
  558    HZ   PHE  94           HZ       PHE  94 -10.503   6.171   9.851
  559    H    TYR  95           HN       TYR  95  -7.486  10.510   5.000
  560    HA   TYR  95           HA       TYR  95  -6.443  11.664   7.451
  561    HB2  TYR  95           HB2      TYR  95  -5.370  12.678   5.487
  562    HB3  TYR  95           HB1      TYR  95  -6.938  13.139   4.846
  563    HD1  TYR  95           HD1      TYR  95  -5.459  13.357   8.199
  564    HD2  TYR  95           HD2      TYR  95  -7.157  15.449   4.949
  565    HE1  TYR  95           HE1      TYR  95  -5.311  15.410   9.503
  566    HE2  TYR  95           HE2      TYR  95  -7.004  17.563   6.204
  567    HH   TYR  95           HH       TYR  95  -6.825  18.346   8.547
  568    H    ASP  96           HN       ASP  96  -7.900  11.695   8.793
  569    HA   ASP  96           HA       ASP  96 -10.668  11.906   8.208
  570    HB2  ASP  96           HB2      ASP  96  -9.616  10.722  10.095
  571    HB3  ASP  96           HB1      ASP  96  -9.212  12.312  10.750
  572    H    THR  97           HN       THR  97 -11.415  14.034   7.790
  573    HA   THR  97           HA       THR  97  -9.673  16.198   8.510
  574    HB   THR  97           HB       THR  97 -11.245  17.556   7.271
  575    HG1  THR  97           HG1      THR  97 -13.002  16.614   6.333
  576   HG21  THR  97          HG21      THR  97 -10.646  16.494   5.066
  577   HG22  THR  97          HG22      THR  97 -10.242  15.044   6.010
  578   HG23  THR  97          HG23      THR  97  -9.312  16.497   6.234
  579    H    ASP  98           HN       ASP  98 -12.088  14.663  10.003
  580    HA   ASP  98           HA       ASP  98 -13.338  16.964  11.282
  581    HB2  ASP  98           HB2      ASP  98 -14.600  14.936  10.867
  582    HB3  ASP  98           HB1      ASP  98 -13.547  14.040  11.938
  583    H    ASP  99           HN       ASP  99 -11.257  14.353  12.158
  584    HA   ASP  99           HA       ASP  99 -10.627  15.614  14.752
  585    HB2  ASP  99           HB2      ASP  99  -9.583  13.069  13.561
  586    HB3  ASP  99           HB1      ASP  99  -9.153  13.669  15.142
  587    H    ALA 100           HN       ALA 100  -9.560  15.294  11.609
  588    HA   ALA 100           HA       ALA 100  -7.859  15.796  10.445
  589    HB1  ALA 100           HB1      ALA 100  -7.143  17.851  12.543
  590    HB2  ALA 100           HB2      ALA 100  -8.345  18.100  11.277
  591    HB3  ALA 100           HB3      ALA 100  -6.648  17.863  10.850
  592    H    SER 101           HN       SER 101  -7.352  13.624  11.102
  593    HA   SER 101           HA       SER 101  -4.587  13.654  11.946
  594    HB2  SER 101           HB2      SER 101  -6.636  11.768  13.010
  595    HB3  SER 101           HB1      SER 101  -4.973  11.793  13.461
  596    HG   SER 101           HG       SER 101  -5.666  14.214  13.961
  597    H    PHE 102           HN       PHE 102  -3.602  11.770  11.301
  598    HA   PHE 102           HA       PHE 102  -4.809  10.525   8.996
  599    HB2  PHE 102           HB2      PHE 102  -1.979  10.460  10.025
  600    HB3  PHE 102           HB1      PHE 102  -2.564   9.552   8.643
  601    HD1  PHE 102           HD1      PHE 102  -3.531  10.701   6.789
  602    HD2  PHE 102           HD2      PHE 102  -1.419  12.669   9.882
  603    HE1  PHE 102           HE1      PHE 102  -3.241  12.699   5.341
  604    HE2  PHE 102           HE2      PHE 102  -1.106  14.643   8.472
  605    HZ   PHE 102           HZ       PHE 102  -2.008  14.670   6.213
  606    H    LYS 103           HN       LYS 103  -5.023   8.309   8.831
  607    HA   LYS 103           HA       LYS 103  -5.168   7.025  11.439
  608    HB2  LYS 103           HB2      LYS 103  -7.528   7.412   9.624
  609    HB3  LYS 103           HB1      LYS 103  -7.540   6.618  11.187
  610    HG2  LYS 103           HG2      LYS 103  -6.627   8.841  12.022
  611    HG3  LYS 103           HG1      LYS 103  -7.149   9.481  10.517
  612    HD2  LYS 103           HD2      LYS 103  -9.381   9.031  10.828
  613    HD3  LYS 103           HD1      LYS 103  -9.181   7.987  12.163
  614    HE2  LYS 103           HE2      LYS 103  -8.175  10.150  13.372
  615    HE3  LYS 103           HE1      LYS 103  -8.877  10.945  12.052
  616    HZ1  LYS 103           HZ1      LYS 103 -10.539  10.862  13.833
  617    HZ2  LYS 103           HZ2      LYS 103 -10.464   9.181  13.819
  618    HZ3  LYS 103           HZ3      LYS 103 -11.040   9.988  12.480
  619    H    TRP 104           HN       TRP 104  -5.214   4.829  11.256
  620    HA   TRP 104           HA       TRP 104  -4.608   3.783   8.644
  621    HB2  TRP 104           HB2      TRP 104  -4.770   2.533  11.393
  622    HB3  TRP 104           HB1      TRP 104  -4.382   1.656   9.903
  623    HD1  TRP 104           HD1      TRP 104  -2.628   2.816  12.763
  624    HE1  TRP 104           HE1      TRP 104  -0.182   3.414  12.236
  625    HE3  TRP 104           HE3      TRP 104  -2.903   3.227   7.660
  626    HZ2  TRP 104           HZ2      TRP 104   1.392   4.038  10.025
  627    HZ3  TRP 104           HZ3      TRP 104  -0.932   3.850   6.446
  628    HH2  TRP 104           HH2      TRP 104   1.216   4.243   7.590
  629    H    PHE 105           HN       PHE 105  -5.953   2.701   7.430
  630    HA   PHE 105           HA       PHE 105  -8.703   2.658   7.956
  631    HB2  PHE 105           HB2      PHE 105  -7.008   1.325   5.901
  632    HB3  PHE 105           HB1      PHE 105  -8.651   0.748   6.141
  633    HD1  PHE 105           HD2      PHE 105 -10.367   2.735   6.449
  634    HD2  PHE 105           HD1      PHE 105  -6.734   2.962   4.184
  635    HE1  PHE 105           HE2      PHE 105 -11.237   4.576   5.121
  636    HE2  PHE 105           HE1      PHE 105  -7.550   4.676   2.990
  637    HZ   PHE 105           HZ       PHE 105  -9.841   5.562   3.389
  638    H    ASP 106           HN       ASP 106  -6.232   0.725   8.961
  639    HA   ASP 106           HA       ASP 106  -7.721  -1.673   9.541
  640    HB2  ASP 106           HB2      ASP 106  -5.248  -1.672   9.397
  641    HB3  ASP 106           HB1      ASP 106  -5.171  -0.678  10.843
  642    H    ASN 107           HN       ASN 107  -7.768   1.409  10.880
  643    HA   ASN 107           HA       ASN 107  -8.893   2.398  12.519
  644    HB2  ASN 107           HB2      ASN 107 -10.156  -0.313  12.876
  645    HB3  ASN 107           HB1      ASN 107 -10.495   0.987  14.004
  646   HD21  ASN 107          HD21      ASN 107 -10.091   1.203  10.475
  647   HD22  ASN 107          HD22      ASN 107 -11.689   1.782  10.190
  648    H    SER 108           HN       SER 108  -6.363   0.797  12.902
  649    HA   SER 108           HA       SER 108  -6.386   0.818  15.780
  650    HB2  SER 108           HB2      SER 108  -4.071  -0.219  15.422
  651    HB3  SER 108           HB1      SER 108  -5.467  -1.188  14.969
  652    HG   SER 108           HG       SER 108  -4.838  -1.204  13.038
  653    H    ASN 109           HN       ASN 109  -4.465   1.804  16.821
  654    HA   ASN 109           HA       ASN 109  -4.336   4.544  16.157
  655    HB2  ASN 109           HB2      ASN 109  -4.019   3.689  18.541
  656    HB3  ASN 109           HB1      ASN 109  -2.521   2.985  17.988
  657   HD21  ASN 109          HD21      ASN 109  -1.599   4.121  19.612
  658   HD22  ASN 109          HD22      ASN 109  -1.308   5.817  19.423
  659    H    MET 110           HN       MET 110  -2.793   5.695  15.180
  660    HA   MET 110           HA       MET 110  -0.754   4.310  13.726
  661    HB2  MET 110           HB2      MET 110  -1.885   6.251  12.840
  662    HB3  MET 110           HB1      MET 110  -1.264   7.243  14.144
  663    HG2  MET 110           HG2      MET 110   0.982   7.023  13.321
  664    HG3  MET 110           HG1      MET 110   0.470   5.834  12.120
  665    HE1  MET 110           HE1      MET 110  -2.404   7.231  11.311
  666    HE2  MET 110           HE2      MET 110  -1.301   6.316  10.297
  667    HE3  MET 110           HE3      MET 110  -1.833   7.928   9.805
  668    H    THR 111           HN       THR 111   0.483   3.327  15.235
  669    HA   THR 111           HA       THR 111   1.475   4.779  17.467
  670    HB   THR 111           HB       THR 111   2.469   2.504  17.993
  671    HG1  THR 111           HG1      THR 111   1.862   0.844  16.761
  672   HG21  THR 111          HG21      THR 111   0.335   3.267  18.967
  673   HG22  THR 111          HG22      THR 111   0.252   1.551  18.600
  674   HG23  THR 111          HG23      THR 111  -0.538   2.715  17.548
  675    H    PHE 112           HN       PHE 112   2.532   4.046  14.289
  676    HA   PHE 112           HA       PHE 112   5.290   4.836  14.917
  677    HB2  PHE 112           HB2      PHE 112   4.963   2.249  14.470
  678    HB3  PHE 112           HB1      PHE 112   4.625   2.730  12.875
  679    HD1  PHE 112           HD2      PHE 112   7.283   3.058  15.417
  680    HD2  PHE 112           HD1      PHE 112   6.157   3.182  11.389
  681    HE1  PHE 112           HE2      PHE 112   9.654   3.257  14.811
  682    HE2  PHE 112           HE1      PHE 112   8.556   3.379  10.699
  683    HZ   PHE 112           HZ       PHE 112  10.297   3.431  12.448
  684    H    ASP 113           HN       ASP 113   6.348   5.883  13.130
  685    HA   ASP 113           HA       ASP 113   4.907   6.355  10.736
  686    HB2  ASP 113           HB2      ASP 113   4.691   8.760  10.928
  687    HB3  ASP 113           HB1      ASP 113   3.737   7.974  12.172
  688    H    LYS 114           HN       LYS 114   5.908   7.131   9.155
  689    HA   LYS 114           HA       LYS 114   8.739   7.764   9.532
  690    HB2  LYS 114           HB2      LYS 114   7.397   6.239   7.311
  691    HB3  LYS 114           HB1      LYS 114   9.070   6.745   7.342
  692    HG2  LYS 114           HG2      LYS 114   7.877   4.831   9.332
  693    HG3  LYS 114           HG1      LYS 114   8.687   4.412   7.818
  694    HD2  LYS 114           HD2      LYS 114   9.954   5.930  10.044
  695    HD3  LYS 114           HD1      LYS 114  10.187   4.215   9.705
  696    HE2  LYS 114           HE2      LYS 114  10.906   6.508   7.876
  697    HE3  LYS 114           HE1      LYS 114  12.001   5.433   8.785
  698    HZ1  LYS 114           HZ1      LYS 114  11.146   3.659   7.280
  699    HZ2  LYS 114           HZ2      LYS 114  11.977   4.934   6.566
  700    HZ3  LYS 114           HZ3      LYS 114  10.317   4.917   6.466
  701    H    TRP 115           HN       TRP 115   7.550   9.927   9.600
  702    HA   TRP 115           HA       TRP 115   6.387  10.777   7.090
  703    HB2  TRP 115           HB2      TRP 115   6.722  12.170   9.725
  704    HB3  TRP 115           HB1      TRP 115   6.067  12.996   8.327
  705    HD1  TRP 115           HD1      TRP 115   5.088  11.152  11.143
  706    HE1  TRP 115           HE1      TRP 115   2.576  10.402  10.967
  707    HE3  TRP 115           HE3      TRP 115   4.450  12.107   6.304
  708    HZ2  TRP 115           HZ2      TRP 115   0.606  10.284   8.873
  709    HZ3  TRP 115           HZ3      TRP 115   2.338  11.702   5.243
  710    HH2  TRP 115           HH2      TRP 115   0.430  10.798   6.454
  711    H    THR 116           HN       THR 116   7.030  12.695   5.999
  712    HA   THR 116           HA       THR 116   9.825  13.425   6.371
  713    HB   THR 116           HB       THR 116   9.590  11.997   4.375
  714    HG1  THR 116           HG1      THR 116  11.039  13.132   3.679
  715   HG21  THR 116          HG21      THR 116   7.675  14.113   3.362
  716   HG22  THR 116          HG22      THR 116   7.258  12.442   3.744
  717   HG23  THR 116          HG23      THR 116   8.329  12.795   2.394
  718    H    ASP 117           HN       ASP 117  10.164  15.599   5.383
  719    HA   ASP 117           HA       ASP 117   7.999  17.337   6.216
  720    HB2  ASP 117           HB2      ASP 117  10.797  17.900   5.251
  721    HB3  ASP 117           HB1      ASP 117   9.626  19.199   5.460
  722    H    GLN 118           HN       GLN 118   6.324  17.807   4.865
  723    HA   GLN 118           HA       GLN 118   6.797  17.940   2.056
  724    HB2  GLN 118           HB2      GLN 118   5.483  15.944   3.173
  725    HB3  GLN 118           HB1      GLN 118   4.654  17.411   3.777
  726    HG2  GLN 118           HG2      GLN 118   3.835  18.003   2.139
  727    HG3  GLN 118           HG1      GLN 118   4.688  17.045   0.893
  728   HE21  GLN 118          HE21      GLN 118   1.730  17.250   1.409
  729   HE22  GLN 118          HE22      GLN 118   1.213  15.623   1.706
  730    H    ASP 119           HN       ASP 119   5.107  19.425   1.305
  731    HA   ASP 119           HA       ASP 119   4.585  21.567   3.124
  732    HB2  ASP 119           HB2      ASP 119   4.280  22.802   1.195
  733    HB3  ASP 119           HB1      ASP 119   5.374  21.377   0.939
  734    H    ASP 120           HN       ASP 120   2.628  22.048   3.840
  735    HA   ASP 120           HA       ASP 120   0.157  21.135   3.047
  736    HB2  ASP 120           HB2      ASP 120  -0.330  19.175   4.364
  737    HB3  ASP 120           HB1      ASP 120   1.314  18.942   3.923
  738    H    ASP 121           HN       ASP 121  -1.306  22.395   4.170
  739    HA   ASP 121           HA       ASP 121  -0.105  23.855   6.408
  740    HB2  ASP 121           HB2      ASP 121  -2.266  24.863   4.559
  741    HB3  ASP 121           HB1      ASP 121  -1.597  25.770   5.898
  742    H    GLU 122           HN       GLU 122  -3.523  23.828   5.462
  743    HA   GLU 122           HA       GLU 122  -4.098  22.757   8.101
  744    HB2  GLU 122           HB2      GLU 122  -5.850  24.272   6.178
  745    HB3  GLU 122           HB1      GLU 122  -6.224  23.814   7.827
  746    HG2  GLU 122           HG2      GLU 122  -4.190  25.820   6.907
  747    HG3  GLU 122           HG1      GLU 122  -5.690  26.155   7.769
  748    H    ASP 123           HN       ASP 123  -5.298  22.794   4.757
  749    HA   ASP 123           HA       ASP 123  -6.194  20.040   5.117
  750    HB2  ASP 123           HB2      ASP 123  -7.647  20.369   3.238
  751    HB3  ASP 123           HB1      ASP 123  -8.002  21.619   4.434
  752    H    LEU 124           HN       LEU 124  -5.174  18.527   4.218
  753    HA   LEU 124           HA       LEU 124  -3.686  19.099   1.831
  754    HB2  LEU 124           HB2      LEU 124  -2.275  17.079   2.664
  755    HB3  LEU 124           HB1      LEU 124  -1.909  18.696   3.229
  756    HG   LEU 124           HG       LEU 124  -1.674  16.983   4.926
  757   HD11  LEU 124          HD11      LEU 124  -2.962  17.925   6.761
  758   HD12  LEU 124          HD12      LEU 124  -3.898  18.864   5.602
  759   HD13  LEU 124          HD13      LEU 124  -2.168  19.144   5.770
  760   HD21  LEU 124          HD21      LEU 124  -3.186  15.336   4.322
  761   HD22  LEU 124          HD22      LEU 124  -4.540  16.449   4.392
  762   HD23  LEU 124          HD23      LEU 124  -3.756  15.925   5.894
  763    H    VAL 125           HN       VAL 125  -6.205  18.518   1.747
  764    HA   VAL 125           HA       VAL 125  -6.762  15.716   1.533
  765    HB   VAL 125           HB       VAL 125  -8.404  18.186   0.893
  766   HG11  VAL 125          HG11      VAL 125  -9.263  16.196  -0.332
  767   HG12  VAL 125          HG12      VAL 125 -10.396  16.844   0.848
  768   HG13  VAL 125          HG13      VAL 125  -9.499  15.380   1.223
  769   HG21  VAL 125          HG21      VAL 125  -7.834  18.038   3.229
  770   HG22  VAL 125          HG22      VAL 125  -8.434  16.381   3.294
  771   HG23  VAL 125          HG23      VAL 125  -9.558  17.713   3.018
  772    H    ASP 126           HN       ASP 126  -5.437  18.075  -0.366
  773    HA   ASP 126           HA       ASP 126  -6.383  17.364  -2.989
  774    HB2  ASP 126           HB2      ASP 126  -5.549  19.625  -2.393
  775    HB3  ASP 126           HB1      ASP 126  -3.943  18.958  -2.168
  776    H    THR 127           HN       THR 127  -4.167  16.074  -0.889
  777    HA   THR 127           HA       THR 127  -2.838  14.514  -2.973
  778    HB   THR 127           HB       THR 127  -1.260  16.206  -2.201
  779    HG1  THR 127           HG1      THR 127  -0.266  14.142  -0.686
  780   HG21  THR 127          HG21      THR 127  -1.822  15.156   0.541
  781   HG22  THR 127          HG22      THR 127  -2.329  16.723  -0.045
  782   HG23  THR 127          HG23      THR 127  -0.589  16.351   0.180
  783    H    CYS 128           HN       CYS 128  -1.814  12.537  -1.805
  784    HA   CYS 128           HA       CYS 128  -3.645  11.688   0.334
  785    HB2  CYS 128           HB2      CYS 128  -2.472   9.527  -1.271
  786    HB3  CYS 128           HB1      CYS 128  -4.023   9.710  -0.562
  787    H    ALA 129           HN       ALA 129  -2.457   9.275   1.088
  788    HA   ALA 129           HA       ALA 129   0.190  10.205   1.915
  789    HB1  ALA 129           HB1      ALA 129  -0.116   8.884   3.889
  790    HB2  ALA 129           HB2      ALA 129  -1.498   8.069   3.233
  791    HB3  ALA 129           HB3      ALA 129  -1.619   9.786   3.684
  792    H    PHE 130           HN       PHE 130   1.753   9.118   0.880
  793    HA   PHE 130           HA       PHE 130   1.233   6.296   0.406
  794    HB2  PHE 130           HB2      PHE 130   2.845   7.931  -1.613
  795    HB3  PHE 130           HB1      PHE 130   2.575   6.288  -1.518
  796    HD1  PHE 130           HD1      PHE 130  -0.222   8.762  -1.294
  797    HD2  PHE 130           HD2      PHE 130   1.693   5.681  -3.489
  798    HE1  PHE 130           HE1      PHE 130  -2.093   8.713  -2.933
  799    HE2  PHE 130           HE2      PHE 130  -0.162   5.635  -5.076
  800    HZ   PHE 130           HZ       PHE 130  -2.058   7.181  -4.792
  801    H    LEU 131           HN       LEU 131   2.702   5.157   1.114
  802    HA   LEU 131           HA       LEU 131   5.165   6.161   2.174
  803    HB2  LEU 131           HB2      LEU 131   4.269   4.350   3.202
  804    HB3  LEU 131           HB1      LEU 131   3.978   3.497   1.697
  805    HG   LEU 131           HG       LEU 131   6.408   3.259   1.498
  806   HD11  LEU 131          HD11      LEU 131   7.239   5.006   2.788
  807   HD12  LEU 131          HD12      LEU 131   7.697   3.459   3.552
  808   HD13  LEU 131          HD13      LEU 131   6.380   4.413   4.210
  809   HD21  LEU 131          HD21      LEU 131   4.970   1.538   2.307
  810   HD22  LEU 131          HD22      LEU 131   5.150   2.166   3.955
  811   HD23  LEU 131          HD23      LEU 131   6.555   1.484   3.093
  812    H    HIS 132           HN       HIS 132   6.930   6.535   1.194
  813    HA   HIS 132           HA       HIS 132   7.368   6.085  -1.629
  814    HB2  HIS 132           HB2      HIS 132   8.251   8.007  -0.085
  815    HB3  HIS 132           HB1      HIS 132   9.471   6.852   0.347
  816    HD1  HIS 132           HD1      HIS 132  10.832   9.037  -0.745
  817    HD2  HIS 132           HD2      HIS 132   9.019   6.336  -3.281
  818    HE1  HIS 132           HE1      HIS 132  11.908   9.393  -2.924
  819    HE2  HIS 132           HE2      HIS 132  10.423   8.139  -4.507
  820    H    ILE 133           HN       ILE 133   7.995   4.325  -2.458
  821    HA   ILE 133           HA       ILE 133   8.943   2.079  -1.142
  822    HB   ILE 133           HB       ILE 133   8.483   2.994  -3.876
  823   HG12  ILE 133          HG12      ILE 133   6.639   1.808  -2.932
  824   HG13  ILE 133          HG11      ILE 133   7.409   0.739  -4.052
  825   HG21  ILE 133          HG21      ILE 133  10.626   2.209  -4.387
  826   HG22  ILE 133          HG22      ILE 133   9.503   0.955  -4.959
  827   HG23  ILE 133          HG23      ILE 133  10.374   0.738  -3.470
  828   HD11  ILE 133          HD11      ILE 133   6.800  -0.432  -2.118
  829   HD12  ILE 133          HD12      ILE 133   7.563   0.776  -1.114
  830   HD13  ILE 133          HD13      ILE 133   8.576  -0.304  -2.119
  831    H    LYS 134           HN       LYS 134  10.521   4.758  -2.434
  832    HA   LYS 134           HA       LYS 134  13.096   3.425  -2.647
  833    HB2  LYS 134           HB2      LYS 134  12.436   6.332  -2.916
  834    HB3  LYS 134           HB1      LYS 134  14.043   5.644  -3.130
  835    HG2  LYS 134           HG2      LYS 134  13.261   4.358  -5.057
  836    HG3  LYS 134           HG1      LYS 134  11.620   4.942  -4.759
  837    HD2  LYS 134           HD2      LYS 134  12.638   6.160  -6.594
  838    HD3  LYS 134           HD1      LYS 134  12.314   7.216  -5.218
  839    HE2  LYS 134           HE2      LYS 134  14.591   6.843  -4.503
  840    HE3  LYS 134           HE1      LYS 134  14.953   6.036  -6.031
  841    HZ1  LYS 134           HZ1      LYS 134  15.589   8.347  -6.221
  842    HZ2  LYS 134           HZ2      LYS 134  14.106   8.849  -5.636
  843    HZ3  LYS 134           HZ3      LYS 134  14.187   8.139  -7.162
  844    H    THR 135           HN       THR 135  11.696   5.843  -0.476
  845    HA   THR 135           HA       THR 135  14.114   5.499   1.152
  846    HB   THR 135           HB       THR 135  13.584   7.745   2.089
  847    HG1  THR 135           HG1      THR 135  12.032   8.877   1.311
  848   HG21  THR 135          HG21      THR 135  15.220   7.471   0.271
  849   HG22  THR 135          HG22      THR 135  14.325   8.982   0.092
  850   HG23  THR 135          HG23      THR 135  13.917   7.591  -0.912
  851    H    GLY 136           HN       GLY 136  10.636   5.450   1.265
  852    HA2  GLY 136           HA2      GLY 136   9.316   4.365   2.909
  853    HA3  GLY 136           HA1      GLY 136  10.767   4.272   3.922
  854    H    GLU 137           HN       GLU 137   9.257   6.908   2.299
  855    HA   GLU 137           HA       GLU 137   8.870   8.251   4.883
  856    HB2  GLU 137           HB2      GLU 137   9.642   9.278   2.203
  857    HB3  GLU 137           HB1      GLU 137   9.086  10.350   3.484
  858    HG2  GLU 137           HG2      GLU 137  10.933   9.691   4.869
  859    HG3  GLU 137           HG1      GLU 137  11.479   8.523   3.665
  860    H    TRP 138           HN       TRP 138   6.947   9.270   5.136
  861    HA   TRP 138           HA       TRP 138   4.918   8.456   3.209
  862    HB2  TRP 138           HB2      TRP 138   4.564   9.400   6.029
  863    HB3  TRP 138           HB1      TRP 138   3.324   8.724   4.978
  864    HD1  TRP 138           HD1      TRP 138   5.878   6.439   4.167
  865    HE1  TRP 138           HE1      TRP 138   6.036   4.503   5.797
  866    HE3  TRP 138           HE3      TRP 138   3.119   8.304   7.943
  867    HZ2  TRP 138           HZ2      TRP 138   5.112   3.780   8.173
  868    HZ3  TRP 138           HZ3      TRP 138   2.758   6.808   9.976
  869    HH2  TRP 138           HH2      TRP 138   3.732   4.613  10.053
  870    H    LYS 139           HN       LYS 139   3.353   9.778   2.650
  871    HA   LYS 139           HA       LYS 139   3.734  12.728   2.738
  872    HB2  LYS 139           HB2      LYS 139   2.665  10.838   0.684
  873    HB3  LYS 139           HB1      LYS 139   2.301  12.551   0.632
  874    HG2  LYS 139           HG2      LYS 139   4.527  13.095   0.520
  875    HG3  LYS 139           HG1      LYS 139   5.039  11.432   0.723
  876    HD2  LYS 139           HD2      LYS 139   3.428  12.586  -1.600
  877    HD3  LYS 139           HD1      LYS 139   5.149  12.213  -1.679
  878    HE2  LYS 139           HE2      LYS 139   4.674   9.872  -1.343
  879    HE3  LYS 139           HE1      LYS 139   2.968  10.199  -1.152
  880    HZ1  LYS 139           HZ1      LYS 139   4.493  10.758  -3.633
  881    HZ2  LYS 139           HZ2      LYS 139   2.843  10.999  -3.397
  882    HZ3  LYS 139           HZ3      LYS 139   3.473   9.431  -3.411
  883    H    LYS 140           HN       LYS 140   2.210  13.840   3.064
  884    HA   LYS 140           HA       LYS 140   0.073  12.714   4.710
  885    HB2  LYS 140           HB2      LYS 140   0.821  15.529   4.070
  886    HB3  LYS 140           HB1      LYS 140  -0.579  15.120   5.029
  887    HG2  LYS 140           HG2      LYS 140   0.975  13.981   6.628
  888    HG3  LYS 140           HG1      LYS 140   2.315  14.651   5.682
  889    HD2  LYS 140           HD2      LYS 140   1.354  16.849   5.934
  890    HD3  LYS 140           HD1      LYS 140   0.106  16.202   6.983
  891    HE2  LYS 140           HE2      LYS 140   1.793  15.475   8.590
  892    HE3  LYS 140           HE1      LYS 140   3.062  16.088   7.531
  893    HZ1  LYS 140           HZ1      LYS 140   0.960  17.731   8.836
  894    HZ2  LYS 140           HZ2      LYS 140   2.095  18.315   7.759
  895    HZ3  LYS 140           HZ3      LYS 140   2.599  17.715   9.260
  896    H    GLY 141           HN       GLY 141  -2.044  12.637   4.188
  897    HA2  GLY 141           HA2      GLY 141  -3.624  14.231   2.806
  898    HA3  GLY 141           HA1      GLY 141  -2.801  13.372   1.525
  899    H    ASN 142           HN       ASN 142  -5.074  12.926   1.180
  900    HA   ASN 142           HA       ASN 142  -5.635  10.234   2.050
  901    HB2  ASN 142           HB2      ASN 142  -8.127  10.785   2.103
  902    HB3  ASN 142           HB1      ASN 142  -7.204  11.290   3.518
  903   HD21  ASN 142          HD21      ASN 142  -7.248  13.088   0.452
  904   HD22  ASN 142          HD22      ASN 142  -8.178  14.393   1.061
  905    H    CYS 143           HN       CYS 143  -6.489   9.003   0.349
  906    HA   CYS 143           HA       CYS 143  -6.106  10.415  -2.087
  907    HB2  CYS 143           HB2      CYS 143  -5.578   7.802  -1.343
  908    HB3  CYS 143           HB1      CYS 143  -6.692   7.730  -2.717
  909    H    GLU 144           HN       GLU 144  -7.857  11.580  -1.701
  910    HA   GLU 144           HA       GLU 144 -10.381  10.474  -2.606
  911    HB2  GLU 144           HB2      GLU 144  -9.600  13.322  -1.944
  912    HB3  GLU 144           HB1      GLU 144 -11.234  12.752  -2.239
  913    HG2  GLU 144           HG2      GLU 144  -9.479  11.842   0.043
  914    HG3  GLU 144           HG1      GLU 144 -10.763  13.051   0.171
  915    H    VAL 145           HN       VAL 145  -8.098  10.444  -4.239
  916    HA   VAL 145           HA       VAL 145  -8.992  11.989  -6.575
  917    HB   VAL 145           HB       VAL 145  -6.741  12.084  -7.444
  918   HG11  VAL 145          HG11      VAL 145  -7.356  13.856  -6.026
  919   HG12  VAL 145          HG12      VAL 145  -5.634  13.500  -5.773
  920   HG13  VAL 145          HG13      VAL 145  -6.851  12.948  -4.601
  921   HG21  VAL 145          HG21      VAL 145  -5.835   9.963  -6.662
  922   HG22  VAL 145          HG22      VAL 145  -5.849  10.530  -4.997
  923   HG23  VAL 145          HG23      VAL 145  -4.764  11.273  -6.171
  924    H    SER 146           HN       SER 146  -8.683  10.909  -8.592
  925    HA   SER 146           HA       SER 146  -9.403   8.152  -8.239
  926    HB2  SER 146           HB2      SER 146  -9.413   9.824 -10.693
  927    HB3  SER 146           HB1      SER 146 -10.072   8.177 -10.547
  928    HG   SER 146           HG       SER 146 -11.123   9.345  -8.574
  929    H    SER 147           HN       SER 147  -6.504   9.572  -8.658
  930    HA   SER 147           HA       SER 147  -5.436   7.932 -10.713
  931    HB2  SER 147           HB2      SER 147  -4.088   9.785  -8.816
  932    HB3  SER 147           HB1      SER 147  -3.366   9.120 -10.290
  933    HG   SER 147           HG       SER 147  -5.396  10.060 -11.278
  934    H    VAL 148           HN       VAL 148  -6.372   6.518  -8.242
  935    HA   VAL 148           HA       VAL 148  -3.771   5.369  -7.492
  936    HB   VAL 148           HB       VAL 148  -6.268   4.485  -6.021
  937   HG11  VAL 148          HG11      VAL 148  -3.414   4.548  -5.248
  938   HG12  VAL 148          HG12      VAL 148  -4.301   3.183  -5.922
  939   HG13  VAL 148          HG13      VAL 148  -4.783   3.838  -4.374
  940   HG21  VAL 148          HG21      VAL 148  -6.178   6.957  -5.907
  941   HG22  VAL 148          HG22      VAL 148  -4.515   6.834  -5.325
  942   HG23  VAL 148          HG23      VAL 148  -5.841   6.178  -4.363
  943    H    GLU 149           HN       GLU 149  -3.201   3.552  -8.123
  944    HA   GLU 149           HA       GLU 149  -5.090   1.872  -9.603
  945    HB2  GLU 149           HB2      GLU 149  -2.249   2.466 -10.423
  946    HB3  GLU 149           HB1      GLU 149  -3.366   1.283 -11.120
  947    HG2  GLU 149           HG2      GLU 149  -4.705   2.877 -12.070
  948    HG3  GLU 149           HG1      GLU 149  -4.107   4.174 -11.048
  949    H    GLY 150           HN       GLY 150  -3.468   1.913  -6.927
  950    HA2  GLY 150           HA2      GLY 150  -3.473  -0.888  -6.678
  951    HA3  GLY 150           HA1      GLY 150  -1.836  -0.312  -6.971
  952    H    THR 151           HN       THR 151  -3.489  -1.444  -4.647
  953    HA   THR 151           HA       THR 151  -2.281   0.353  -2.722
  954    HB   THR 151           HB       THR 151  -4.594   0.912  -2.524
  955    HG1  THR 151           HG1      THR 151  -4.445  -1.005  -0.511
  956   HG21  THR 151          HG21      THR 151  -6.358  -0.760  -2.183
  957   HG22  THR 151          HG22      THR 151  -5.179  -2.051  -2.406
  958   HG23  THR 151          HG23      THR 151  -5.576  -0.976  -3.750
  959    H    LEU 152           HN       LEU 152  -1.609  -0.656  -0.833
  960    HA   LEU 152           HA       LEU 152  -1.207  -3.521  -1.147
  961    HB2  LEU 152           HB2      LEU 152   0.752  -2.036  -0.518
  962    HB3  LEU 152           HB1      LEU 152  -0.083  -1.723   0.975
  963    HG   LEU 152           HG       LEU 152  -0.358  -4.194   1.204
  964   HD11  LEU 152          HD11      LEU 152   2.060  -4.268  -0.534
  965   HD12  LEU 152          HD12      LEU 152   0.461  -4.975  -0.861
  966   HD13  LEU 152          HD13      LEU 152   1.450  -5.589   0.463
  967   HD21  LEU 152          HD21      LEU 152   2.060  -4.335   2.095
  968   HD22  LEU 152          HD22      LEU 152   0.702  -3.512   2.826
  969   HD23  LEU 152          HD23      LEU 152   1.905  -2.558   1.887
  970    H    CYS 153           HN       CYS 153  -2.153  -4.871   0.103
  971    HA   CYS 153           HA       CYS 153  -4.083  -3.766   1.979
  972    HB2  CYS 153           HB2      CYS 153  -4.040  -6.452   0.718
  973    HB3  CYS 153           HB1      CYS 153  -5.368  -5.667   1.548
  974    H    LYS 154           HN       LYS 154  -4.188  -4.552   3.925
  975    HA   LYS 154           HA       LYS 154  -2.316  -6.606   4.740
  976    HB2  LYS 154           HB2      LYS 154  -1.329  -4.528   5.433
  977    HB3  LYS 154           HB1      LYS 154  -2.864  -3.950   6.071
  978    HG2  LYS 154           HG2      LYS 154  -2.784  -5.683   7.790
  979    HG3  LYS 154           HG1      LYS 154  -1.253  -6.246   7.154
  980    HD2  LYS 154           HD2      LYS 154  -0.171  -4.196   7.717
  981    HD3  LYS 154           HD1      LYS 154  -1.712  -3.433   8.116
  982    HE2  LYS 154           HE2      LYS 154  -0.641  -5.851   9.523
  983    HE3  LYS 154           HE1      LYS 154  -0.368  -4.190  10.103
  984    HZ1  LYS 154           HZ1      LYS 154  -2.733  -3.946  10.336
  985    HZ2  LYS 154           HZ2      LYS 154  -2.255  -5.321  11.181
  986    HZ3  LYS 154           HZ3      LYS 154  -3.028  -5.478   9.708
  987    H    THR 155           HN       THR 155  -3.298  -8.074   6.000
  988    HA   THR 155           HA       THR 155  -5.903  -7.444   7.179
  989    HB   THR 155           HB       THR 155  -6.253  -8.706   5.044
  990    HG1  THR 155           HG1      THR 155  -7.897  -9.395   6.276
  991   HG21  THR 155          HG21      THR 155  -4.642 -10.870   6.397
  992   HG22  THR 155          HG22      THR 155  -4.096  -9.900   5.064
  993   HG23  THR 155          HG23      THR 155  -5.452 -11.029   4.828
  994    H    ALA 156           HN       ALA 156  -6.069  -8.302   9.216
  995    HA   ALA 156           HA       ALA 156  -3.773  -9.591  10.378
  996    HB1  ALA 156           HB1      ALA 156  -5.267  -8.187  11.765
  997    HB2  ALA 156           HB2      ALA 156  -5.228  -9.891  12.306
  998    HB3  ALA 156           HB3      ALA 156  -6.589  -9.313  11.367
  999    H    ILE 157           HN       ILE 157  -3.489 -11.795  10.539
 1000    HA   ILE 157           HA       ILE 157  -5.580 -13.225   9.287
 1001    HB   ILE 157           HB       ILE 157  -3.986 -15.160   9.424
 1002   HG12  ILE 157          HG12      ILE 157  -2.047 -12.958   9.719
 1003   HG13  ILE 157          HG11      ILE 157  -2.518 -13.960  11.103
 1004   HG21  ILE 157          HG21      ILE 157  -2.823 -14.373   7.411
 1005   HG22  ILE 157          HG22      ILE 157  -3.333 -12.717   7.781
 1006   HG23  ILE 157          HG23      ILE 157  -4.538 -13.948   7.378
 1007   HD11  ILE 157          HD11      ILE 157  -0.486 -14.731  10.110
 1008   HD12  ILE 157          HD12      ILE 157  -1.375 -14.780   8.536
 1009   HD13  ILE 157          HD13      ILE 157  -1.876 -15.841   9.873
 1010    HA   PRO 158           HA       PRO 158  -7.183 -14.479  13.273
 1011    HB2  PRO 158           HB2      PRO 158  -8.822 -16.204  11.528
 1012    HB3  PRO 158           HB1      PRO 158  -9.356 -14.953  12.669
 1013    HG2  PRO 158           HG2      PRO 158  -9.488 -14.583  10.029
 1014    HG3  PRO 158           HG1      PRO 158  -9.147 -13.259  11.161
 1015    HD2  PRO 158           HD2      PRO 158  -7.171 -14.632   9.335
 1016    HD3  PRO 158           HD1      PRO 158  -7.207 -13.011   9.907
 1017    H    TYR 159           HN       TYR 159  -5.704 -16.116  11.027
 1018    HA   TYR 159           HA       TYR 159  -5.837 -18.799  11.951
 1019    HB2  TYR 159           HB2      TYR 159  -3.894 -17.467  10.080
 1020    HB3  TYR 159           HB1      TYR 159  -3.890 -19.218  10.377
 1021    HD1  TYR 159           HD1      TYR 159  -5.758 -16.375   9.220
 1022    HD2  TYR 159           HD2      TYR 159  -5.346 -20.548   9.038
 1023    HE1  TYR 159           HE1      TYR 159  -7.253 -16.386   7.336
 1024    HE2  TYR 159           HE2      TYR 159  -6.892 -20.644   7.124
 1025    HH   TYR 159           HH       TYR 159  -8.658 -19.282   6.138
 1026    H    LYS 160           HN       LYS 160  -3.966 -15.995  12.613
 1027    HA   LYS 160           HA       LYS 160  -2.330 -17.384  14.583
 1028    HB2  LYS 160           HB2      LYS 160  -1.365 -15.482  12.436
 1029    HB3  LYS 160           HB1      LYS 160  -0.417 -15.865  13.865
 1030    HG2  LYS 160           HG2      LYS 160  -1.401 -17.956  11.931
 1031    HG3  LYS 160           HG1      LYS 160   0.169 -17.166  11.787
 1032    HD2  LYS 160           HD2      LYS 160   0.909 -18.070  13.865
 1033    HD3  LYS 160           HD1      LYS 160  -0.712 -18.609  14.289
 1034    HE2  LYS 160           HE2      LYS 160   0.793 -20.440  13.560
 1035    HE3  LYS 160           HE1      LYS 160  -0.671 -20.290  12.601
 1036    HZ1  LYS 160           HZ1      LYS 160   0.565 -19.261  10.853
 1037    HZ2  LYS 160           HZ2      LYS 160   1.307 -20.690  11.250
 1038    HZ3  LYS 160           HZ3      LYS 160   2.000 -19.240  11.750
 1039    H    ARG 161           HN       ARG 161  -4.724 -15.900  14.866
 1040    HA   ARG 161           HA       ARG 161  -3.836 -13.375  16.016
 1041    HB2  ARG 161           HB2      ARG 161  -5.844 -13.232  14.568
 1042    HB3  ARG 161           HB1      ARG 161  -6.658 -14.403  15.594
 1043    HG2  ARG 161           HG2      ARG 161  -6.583 -12.850  17.473
 1044    HG3  ARG 161           HG1      ARG 161  -5.722 -11.677  16.483
 1045    HD2  ARG 161           HD2      ARG 161  -7.648 -11.501  14.997
 1046    HD3  ARG 161           HD1      ARG 161  -8.493 -12.728  15.942
 1047    HE   ARG 161           HE       ARG 161  -7.716 -10.633  17.633
 1048   HH11  ARG 161          HH11      ARG 161 -10.019 -11.241  15.020
 1049   HH12  ARG 161          HH12      ARG 161 -11.200 -10.168  15.573
 1050   HH21  ARG 161          HH21      ARG 161  -9.354  -9.090  18.418
 1051   HH22  ARG 161          HH22      ARG 161 -10.824  -8.948  17.576