*HEADER    SIGNALING PROTEIN                       02-JAN-14   2MJB              
*TITLE     SOLUTION NMR STRUCTURE OF UBIQUITIN REFINED AGAINST DIPOLAR COUPLINGS 
*TITLE    2 IN 4 MEDIA                                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: UBIQUITIN-60S RIBOSOMAL PROTEIN L40;                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UBIQUITIN-LIKE 3 DOMAIN;                                   
*COMPND   5 SYNONYM: CEP52, UBIQUITIN A-52 RESIDUE RIBOSOMAL PROTEIN FUSION      
*COMPND   6 PRODUCT 1, UBIQUITIN, 60S RIBOSOMAL PROTEIN L40, UBIQUITIN-40S       
*COMPND   7 RIBOSOMAL PROTEIN S27A, UBIQUITIN CARBOXYL EXTENSION PROTEIN 80,     
*COMPND   8 UBIQUITIN, 40S RIBOSOMAL PROTEIN S27A, POLYUBIQUITIN-B, UBIQUITIN,   
*COMPND   9 POLYUBIQUITIN-C, UBIQUITIN;                                          
*COMPND  10 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: UBA52, UBCEP2, RPS27A, UBA80, UBCEP1, UBB, UBC;                
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 511693;                                     
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET11A                                     
*KEYWDS    RESIDUAL DIPOLAR COUPLING, SQUALAMINE, SIGNALING PROTEIN              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.MALTSEV, A.GRISHAEV, J.ROCHE, M.ZASLOFF, A.BAX                      
*REVDAT   1   26-MAR-14 2MJB    0                                                


!NOEs
!assign ((resid     1 and name      HA))   ((resid     1 and name     HB1))      2.473 0.618 0.618 ! 2.552 C-2444-3131 

!assign ((resid     1 and name      HA))   ((resid     1 and name     HB2) or 
!                                           (resid    29 and name     HB2))      2.544 2.544 0.636 ! 2.28499 D-1269-3126 D-1270-3126 

assign ((resid     1 and name      HA))   ((resid     1 and name     HG1) or 
                                           (resid     1 and name     HG2))      3.567 3.567 0.892 ! 3.3058 C-0182-0223 

assign ((resid     1 and name      HA))   ((resid     1 and name     HG1) or 
                                           (resid     1 and name     HG2))      3.248 3.248 0.812 ! 3.3058 C-0204-0224 

!assign ((resid     1 and name     HB1) or 
!        (resid     1 and name     HB2))   ((resid     1 and name      HA))      2.068 2.068 0.517 ! 2.13209 D-1178-2978 D-1179-2978 

!assign ((resid     1 and name     HB1) or 
!        (resid     1 and name     HB2))   ((resid     1 and name     HG1) or 
!                                           (resid     1 and name     HG2))      1.944 1.944 0.486 ! 2.08252 D-0065-0226 D-0066-0226 

assign ((resid     1 and name     HB2))   ((resid     1 and name     HE#))      2.852 2.852 0.713 ! 3.998 C-1703-2299 

!assign ((resid     1 and name     HB2))   ((resid     1 and name     HG1) or 
!                                           (resid     1 and name     HG2))      2.330 2.330 0.583 ! 2.3021 C-0188-0225 

assign ((resid     1 and name     HE#))   ((resid     1 and name     HG1) or 
                                           (resid     1 and name     HG2))      2.524 2.524 0.631 ! 2.22478 C-0183-0219 

assign ((resid     1 and name     HE#))   ((resid     1 and name     HG1) or 
                                           (resid     1 and name     HG2))      2.704 2.704 0.676 ! 2.22478 C-0208-0220 

assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid     1 and name      HA))      3.601 3.601 0.900 ! 3.3058 C-2336-2971 

assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid     1 and name      HA))      3.128 3.128 0.782 ! 3.3058 C-2335-2972 

!assign ((resid     1 and name     HG1) or 
!        (resid     1 and name     HG2))   ((resid     1 and name     HB1))      3.011 3.011 0.753 ! 2.37722 C-2446-3129 

!assign ((resid     1 and name     HG1) or 
!        (resid     1 and name     HG2) or 
!        (resid    30 and name    HG11) or 
!        (resid    30 and name    HG12))   ((resid     1 and name     HB1))      2.257 2.257 0.564 ! 2.3772 D-1271-3128 D-1272-3128 

!assign ((resid     1 and name     HG1) or 
!        (resid     1 and name     HG2))   ((resid     1 and name     HB2) or 
!                                           (resid    29 and name     HB2))      2.857 2.857 0.714 ! 2.30204 D-1261-3101 D-1262-3101 

!assign ((resid     1 and name     HG1) or 
!        (resid     1 and name     HG2))   ((resid     1 and name     HB2) or 
!                                           (resid    29 and name     HB2))      2.159 2.159 0.540 ! 2.30204 D-1263-3102 D-1264-3102 

assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid     1 and name     HE#))      2.401 2.401 0.600 ! 2.22478 C-1695-2273 

assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid     1 and name     HE#))      2.425 2.425 0.606 ! 2.22478 C-1696-2274 

!*****assign ((resid     1 and name     HG1) or 
!*****        (resid     1 and name     HG2))   ((resid     1 and name     HG2) or 
!*****                                           (resid     1 and name     HG1))        1.761 1.761 0.440  ! 1.764 C-0185-0211 

!*****assign ((resid     1 and name     HG1) or 
!*****        (resid     1 and name     HG2))   ((resid     1 and name     HG2) or 
!*****                                           (resid     1 and name     HG1))        1.838 1.838 0.460  ! 1.764 C-0203-0212 

assign ((resid     1 and name      HA))   ((resid     2 and name      HA))      4.388 1.097 1.097 ! 4.381 C-2337-2977 

assign ((resid     1 and name      HA))   ((resid     2 and name     HG1) or 
                                           (resid     2 and name     HG2))      4.761 4.761 1.190 ! 5.77307 C-2253-2818 

assign ((resid     1 and name      HA))   ((resid     2 and name      HN))      2.133 0.533 0.533 ! 2.227 A-0115-0136 

assign ((resid     1 and name     HB1) or 
        (resid     1 and name     HB2) or 
        (resid    63 and name     HB2))   ((resid     2 and name      HN))      3.032 3.032 0.758 ! 2.65256 B-0047-0137 B-0048-0137 B-0046-0137 

assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid     2 and name      HN))      3.929 3.929 0.982 ! 3.35283 A-0110-0138 

assign ((resid     1 and name     HB1))   ((resid     3 and name    HG2#))      3.966 3.966 0.992 ! 4.973 C-1775-2228 

!assign ((resid     1 and name     HB2) or 
!        (resid    29 and name     HB2))   ((resid     3 and name      HA) or 
!                                           (resid    29 and name      HA))      2.939 2.939 0.735 ! 3.0091 D-0923-2174 D-0924-2174 D-0925-2174 

!assign ((resid     1 and name     HB2) or 
!        (resid    29 and name     HB2))   ((resid     3 and name      HA) or 
!                                           (resid    29 and name      HA))      2.931 2.931 0.733 ! 3.0091 D-1256-3121 D-1257-3121 D-1258-3121 

assign ((resid     1 and name     HB2) or 
        (resid    29 and name     HB2))   ((resid     3 and name    HG2#))      4.629 4.629 1.157 ! 4.21178 D-1265-3123 D-1266-3123 

assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid     3 and name      HA) or 
                                           (resid    29 and name      HA))      3.847 3.847 0.962 ! 3.82756 D-0991-2291 D-0992-2291 D-0990-2291 

assign ((resid     1 and name     HE#))   ((resid     3 and name    HD1#))      3.200 3.200 0.800 ! 3.814 C-1693-2298 

assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid     3 and name    HD1#))      3.601 3.601 0.900 ! 3.80865 D-1081-2726 D-1080-2726 

assign ((resid     1 and name     HE#))   ((resid     3 and name    HG2#))      2.205 2.205 0.551 ! 2.204 C-1769-2222 

assign ((resid     1 and name     HE#))   ((resid     3 and name    HG2#))      2.041 2.041 0.510 ! 2.204 C-1697-2292 

assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid     3 and name    HG2#))      3.612 3.612 0.903 ! 2.31901 C-0184-0217 

assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid     3 and name    HG2#))      3.169 3.169 0.792 ! 2.31901 C-0207-0218 

assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid     3 and name    HG2#))      3.584 3.584 0.896 ! 2.31901 C-1763-2206 

assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid     3 and name    HG2#))      3.128 3.128 0.782 ! 2.31901 C-1765-2207 

!assign ((resid     1 and name     HG1) or 
!        (resid     1 and name     HG2))   ((resid    13 and name    HG11) or 
!                                           (resid    13 and name    HG12) or 
!                                           (resid    15 and name      HG))        4.990 4.990 1.248  ! 7.42896 D-0215-0795 D-0214-0795 

assign ((resid     1 and name     HB2) or 
        (resid    29 and name     HB2))   ((resid    15 and name     HD*))      3.573 3.573 0.893 ! 3.06465 D-0310-0744 D-0311-0744 

assign ((resid     1 and name     HB2) or 
        (resid    29 and name     HB2))   ((resid    15 and name     HD*))      3.653 3.653 0.913 ! 3.06465 D-1191-3107 D-1192-3107 

assign ((resid     1 and name     HB2) or 
        (resid    29 and name     HB2))   ((resid    15 and name     HD*) or 
                                           (resid    43 and name     HD*))      3.259 3.259 0.815 ! 3.31567 D-0487-1217 D-0488-1217 D-0489-1217 

assign ((resid     1 and name     HB2) or 
        (resid    29 and name     HB2))   ((resid    15 and name     HD*))      3.235 3.235 0.809 ! 3.32081 D-1259-3115 D-1260-3115 

assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2) or 
        (resid    30 and name    HG11) or 
        (resid    30 and name    HG12))   ((resid    15 and name     HD*))      3.077 3.077 0.769 ! 2.54244 D-0308-0729 D-0309-0729 

assign ((resid     1 and name      HA))   ((resid    16 and name     HG1) or 
                                           (resid    16 and name     HG2))      4.915 4.915 1.229 ! 5.05825 C-2339-2976 

assign ((resid     1 and name     HB1))   ((resid    17 and name    HG2#))      4.216 4.216 1.054 ! 4.564 C-2445-3130 

assign ((resid     1 and name     HB2))   ((resid    17 and name    HG2#))      3.375 3.375 0.844 ! 4.743 C-1541-2023 

assign ((resid     1 and name     HB2) or 
        (resid    29 and name     HB2))   ((resid    17 and name    HG2#))      4.004 4.004 1.001 ! 4.64435 D-1267-3120 D-1268-3120 

assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    17 and name      HB))      3.863 3.863 0.966 ! 4.28244 D-0957-2296 D-0956-2296 

assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    17 and name    HG1#))      4.013 4.013 1.003 ! 4.51833 D-0696-1466 D-0695-1466 

assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    17 and name    HG1#))      3.710 3.710 0.927 ! 4.51833 D-0937-2285 D-0936-2285 

assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    17 and name    HG2#))      2.182 2.182 0.545 ! 2.41682 D-0868-2016 D-0867-2016 

assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    17 and name    HG2#))      2.015 2.015 0.504 ! 2.41682 D-0949-2290 D-0948-2290 

assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid    17 and name    HG2#))      2.601 2.601 0.650 ! 2.33591 C-0186-0215 

assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid    17 and name    HG2#))      2.847 2.847 0.712 ! 2.33591 C-0205-0216 

assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid    17 and name    HG2#))      2.704 2.704 0.676 ! 2.33591 C-1536-2002 

assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid    17 and name    HG2#))      2.737 2.737 0.684 ! 2.33591 C-1531-2003 

assign ((resid     1 and name     HB2) or 
        (resid    29 and name     HB2))   ((resid    18 and name      HA))      4.736 4.736 1.184 ! 5.77903 D-0024-0106 D-0025-0106 

assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    18 and name      HA))      3.939 3.939 0.985 ! 3.97313 D-0027-0103 D-0026-0103 

assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    18 and name      HA))      3.730 3.730 0.932 ! 3.97313 D-0961-2272 D-0960-2272 

assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid    18 and name      HA))      3.888 3.888 0.972 ! 3.40372 C-0085-0096 

assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid    18 and name      HA))      3.787 3.787 0.947 ! 3.40372 C-0189-0210 

assign ((resid     1 and name     HB2))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      4.855 4.855 1.214 ! 5.06219 C-0346-0431 

assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    19 and name      HA))      2.588 2.588 0.647 ! 2.77094 D-0495-1241 D-0494-1241 

assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    19 and name      HA))      2.604 2.604 0.651 ! 2.77094 D-0939-2282 D-0938-2282 

assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    19 and name     HB1) or 
                                           (resid    37 and name     HB*) or 
                                           (resid    37 and name     HB*))      3.515 3.515 0.879 ! 3.62482 D-0029-0121 D-0028-0121 

assign ((resid     1 and name     HE#))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      3.724 3.724 0.931 ! 3.14853 C-0341-0427 

assign ((resid     1 and name     HE#))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      3.355 3.355 0.839 ! 3.14853 C-0352-0428 

assign ((resid     1 and name     HE#))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      4.004 4.004 1.001 ! 3.14853 C-1702-2275 

assign ((resid     1 and name     HE#))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      3.101 3.101 0.775 ! 3.14853 C-1705-2276 

assign ((resid     1 and name     HE#))   ((resid    19 and name     HG1) or 
                                           (resid    19 and name     HG2))      3.266 3.266 0.817 ! 2.29527 C-0498-0586 

assign ((resid     1 and name     HE#))   ((resid    19 and name     HG1) or 
                                           (resid    19 and name     HG2))      2.888 2.888 0.722 ! 2.29527 C-1699-2277 

assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    19 and name     HG1) or 
                                           (resid    19 and name     HG2) or 
                                           (resid    38 and name     HG1) or 
                                           (resid    38 and name     HG2))      3.472 3.472 0.868 ! 2.27157 D-0129-0585 D-0130-0585 

assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      4.013 4.013 1.003 ! 3.32144 C-0190-0213 

assign ((resid     1 and name     HE#))   ((resid    21 and name     HB2))      4.691 4.691 1.173 ! 5.439 C-1706-2287 

assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    25 and name      HA))      2.094 2.094 0.523 ! 2.60693 D-1048-2624 D-1047-2624 

assign ((resid     1 and name     HB2) or 
        (resid    29 and name     HB2))   ((resid    26 and name      HA))      3.057 3.057 0.764 ! 2.89793 D-0341-0928 D-0342-0928 

assign ((resid     1 and name     HB2) or 
        (resid    29 and name     HB2))   ((resid    26 and name      HA))      3.131 3.131 0.783 ! 2.89793 D-1250-3113 D-1251-3113 

assign ((resid     1 and name     HB2) or 
        (resid    29 and name     HB2))   ((resid    26 and name    HG1#))      4.189 4.189 1.047 ! 3.55996 D-0772-1650 D-0773-1650 

assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    26 and name      HA))      4.615 4.615 1.154 ! 4.85925 D-0340-0924 D-0339-0924 

assign ((resid     1 and name     HE#))   ((resid    26 and name    HG2#))      4.586 4.586 1.147 ! 5.31 C-0997-1307 

assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    27 and name      HA))      4.637 4.637 1.159 ! 5.04853 D-0931-2310 D-0930-2310 

assign ((resid     1 and name     HB2) or 
        (resid    29 and name     HB2))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      3.301 3.301 0.825 ! 2.32888 D-0097-0407 D-0098-0407 

assign ((resid     1 and name     HB2) or 
        (resid    29 and name     HB2))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      2.894 2.894 0.724 ! 2.32888 D-1189-3103 D-1190-3103 

assign ((resid     1 and name     HB2) or 
        (resid    29 and name     HB2))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      3.163 3.163 0.791 ! 2.32888 D-1254-3104 D-1255-3104 

assign ((resid     1 and name     HB2) or 
        (resid    29 and name     HB2))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      4.714 4.714 1.179 ! 4.09626 D-1246-3117 D-1247-3117 

assign ((resid     1 and name     HB2) or 
        (resid    29 and name     HB2))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      4.411 4.411 1.103 ! 4.09626 D-1248-3118 D-1249-3118 

!assign ((resid     1 and name     HB2) or 
!        (resid    29 and name     HB2))   ((resid    29 and name     HG1) or 
!                                           (resid    29 and name     HG2))      3.062 3.062 0.765 ! 2.40165 D-0318-0872 D-0319-0872 

!assign ((resid     1 and name     HB2) or 
!        (resid    29 and name     HB2))   ((resid    29 and name     HG1) or 
!                                           (resid    29 and name     HG2) or 
!                                           (resid    27 and name     HG1) or 
!                                           (resid    27 and name     HG2))      3.163 3.163 0.791 ! 2.40064 D-0329-0874 D-0328-0874 D-0330-0874 

!assign ((resid     1 and name     HB2) or 
!        (resid    29 and name     HB2))   ((resid    29 and name     HG1) or 
!                                           (resid    29 and name     HG2))      2.836 2.836 0.709 ! 2.40165 D-1252-3109 D-1253-3109 

assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    29 and name     HG1) or 
                                           (resid    29 and name     HG2))      4.164 4.164 1.041 ! 3.38382 D-0317-0871 D-0316-0871 

assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    29 and name     HG1) or 
                                           (resid    29 and name     HG2))      3.809 3.809 0.952 ! 3.38382 D-0994-2279 D-0993-2279 

!*****assign ((resid     1 and name     HG1) or 
!*****        (resid     1 and name     HG2) or 
!*****        (resid    30 and name    HG11) or 
!*****        (resid    30 and name    HG12))   ((resid    30 and name    HG11) or 
!*****                                           (resid    30 and name    HG12) or 
!*****                                           (resid     1 and name     HG1) or 
!*****                                           (resid     1 and name     HG2))        1.289 1.289 0.322  ! 9.76677 D-0064-0191 D-0063-0191 

assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    56 and name     HB1))      3.219 3.219 0.805 ! 3.3617 D-0866-1992 D-0865-1992 

assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    56 and name     HB1))      3.252 3.252 0.813 ! 3.3617 D-0959-2289 D-0958-2289 

assign ((resid     1 and name     HE#))   ((resid    56 and name     HB2))      4.230 4.230 1.058 ! 3.62 C-1508-1991 

assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    56 and name     HB2))      3.472 3.472 0.868 ! 3.61937 D-0955-2288 D-0954-2288 

assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    56 and name     HD*))      2.509 2.509 0.627 ! 2.5636 D-0300-0833 D-0299-0833 

assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    56 and name     HD*))      2.367 2.367 0.592 ! 2.5636 D-0951-2278 D-0950-2278 

assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    56 and name     HD*))      3.500 3.500 0.875 ! 4.05577 D-0626-1388 D-0625-1388 

assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    56 and name     HD*))      3.245 3.245 0.811 ! 4.05577 D-0953-2284 D-0952-2284 

assign ((resid     1 and name     HE#))   ((resid    61 and name      HB))      3.140 3.140 0.785 ! 3.477 C-1965-2511 

assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    61 and name    HD1#))      4.891 4.891 1.223 ! 4.38575 D-1089-2683 D-1088-2683 

assign ((resid     1 and name     HE#))   ((resid    61 and name    HG2#))      2.297 2.297 0.574 ! 2.32 C-1698-2294 

assign ((resid     1 and name     HE#))   ((resid    61 and name    HG2#))      2.451 2.451 0.613 ! 2.32 C-1852-2378 

assign ((resid     1 and name     HE#))   ((resid    62 and name      HA))      2.701 2.701 0.675 ! 3.002 C-0003-0004 

assign ((resid     1 and name     HE#))   ((resid    62 and name      HA))      2.621 2.621 0.655 ! 3.002 C-1704-2271 

assign ((resid     1 and name      HA))   ((resid    63 and name      HA))      4.775 1.194 1.194 ! 5.0 C-1929-2473 

assign ((resid     1 and name      HA))   ((resid    63 and name      HA))      4.976 1.244 1.244 ! 5.0 C-2338-2975 

assign ((resid     1 and name      HA))   ((resid    63 and name     HB1))      4.674 1.169 1.169 ! 3.998 C-0022-0060 

assign ((resid     1 and name      HA))   ((resid    63 and name     HD1) or 
                                           (resid    63 and name     HD2) or 
                                           (resid    67 and name      HG))      4.579 4.579 1.145 ! 4.56044 D-1177-2973 D-1176-2973 

assign ((resid     1 and name     HE#))   ((resid    63 and name      HA))      2.915 2.915 0.729 ! 3.402 C-1694-2295 

assign ((resid     1 and name     HE#))   ((resid    63 and name      HA))      2.929 2.929 0.732 ! 3.402 C-1926-2468 

assign ((resid     1 and name     HE#))   ((resid    63 and name     HG1) or 
                                           (resid    63 and name     HG2))      4.801 4.801 1.200 ! 5.15282 C-0975-1277 

assign ((resid     1 and name     HE#))   ((resid    63 and name      HN))      3.941 3.941 0.985 ! 3.965 A-0243-0300 

assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid    63 and name      HA))      3.794 3.794 0.949 ! 2.84144 C-0187-0221 

assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid    63 and name      HA))      3.371 3.371 0.843 ! 2.84144 C-0206-0222 

assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2))   ((resid    63 and name      HA))      3.737 3.737 0.934 ! 2.84144 C-1930-2464 

assign ((resid     1 and name     HG1) or 
        (resid     1 and name     HG2) or 
        (resid    30 and name    HG11) or 
        (resid    30 and name    HG12))   ((resid    63 and name      HA))      3.042 3.042 0.760 ! 2.84137 D-1015-2463 D-1016-2463 

assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      4.993 4.993 1.248 ! 4.67744 D-0406-1038 D-0408-1038 D-0405-1038 D-0407-1038 

assign ((resid     1 and name     HE#) or 
        (resid    28 and name     HB#))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      4.419 4.419 1.105 ! 4.67744 D-0945-2280 D-0946-2280 D-0944-2280 D-0947-2280 D-0940-2280 D-0941-2280 D-0942-2280 D-0943-2280 

!assign ((resid     2 and name      HA))   ((resid     2 and name     HB*))      2.776 2.776 0.694 ! 2.986 C-0210-0259 

!assign ((resid     2 and name      HA))   ((resid     2 and name     HB*))      2.692 2.692 0.673 ! 2.338 C-0214-0260 

assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid     2 and name     HG1) or 
                                           (resid     2 and name     HG2))      3.106 3.106 0.776 ! 2.65078 D-1131-2816 D-1130-2816 

assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid     2 and name     HG1) or 
                                           (resid     2 and name     HG2))      2.965 2.965 0.741 ! 2.65078 D-1135-2817 D-1134-2817 

assign ((resid     2 and name      HA))   ((resid     2 and name      HN))      3.011 0.753 0.753 ! 2.979 A-0114-0133 

!assign ((resid     2 and name     HB*))   ((resid     2 and name      HA))      2.575 2.575 0.644 ! 2.986 C-2215-2852 

!*****assign ((resid     2 and name     HB1))   ((resid     2 and name     HB2))       1.667 0.417 0.417  ! 1.763 C-0255-0250 

!assign ((resid     2 and name     HB*))   ((resid     2 and name     HG1) or 
!                                           (resid     2 and name     HG2))      2.489 2.489 0.622 ! 2.3006 C-2188-2807 

!assign ((resid     2 and name     HB*))   ((resid     2 and name     HG1) or 
!                                           (resid     2 and name     HG2))      1.914 1.914 0.478 ! 2.3006 C-2259-2808 

assign ((resid     2 and name     HB*))   ((resid     2 and name      HN))      2.911 2.911 0.728 ! 2.287 A-0112-0139 

!assign ((resid     2 and name     HB*))   ((resid     2 and name      HA))      2.632 2.632 0.658 ! 2.338 C-2216-2853 

assign ((resid     2 and name     HB*))   ((resid     2 and name      HN))      3.124 3.124 0.781 ! 2.955 A-0111-0140 

assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2))   ((resid     2 and name      HA) or 
                                           (resid    68 and name      HA))      2.998 2.998 0.750 ! 2.65078 D-1115-2865 D-1114-2865 

assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2))   ((resid     2 and name      HA) or 
                                           (resid    68 and name      HA))      3.040 3.040 0.760 ! 2.65078 D-1117-2866 D-1116-2866 

!assign ((resid     2 and name     HG1) or 
!        (resid     2 and name     HG2))   ((resid     2 and name     HB*))      2.758 2.758 0.690 ! 2.3006 C-0212-0255 

!assign ((resid     2 and name     HG1) or 
!        (resid     2 and name     HG2))   ((resid     2 and name     HB*))      2.031 2.031 0.508 ! 2.3006 C-0213-0256 

!assign ((resid     2 and name     HG1) or 
!        (resid     2 and name     HG2))   ((resid     2 and name     HB*))      3.033 3.033 0.758 ! 2.32 C-0257-0257 

!assign ((resid     2 and name     HG1) or 
!        (resid     2 and name     HG2))   ((resid     2 and name     HB*))      2.246 2.246 0.561 ! 2.32 C-0256-0258 

assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2) or 
        (resid    16 and name     HG1) or 
        (resid    16 and name     HG2) or 
        (resid    49 and name     HG1) or 
        (resid    49 and name     HG2))   ((resid     2 and name    HE21) or 
                                           (resid    49 and name    HE21))      2.845 2.845 0.711 ! 2.38952 B-0171-0542 B-0172-0542 B-0170-0542 

assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2) or 
        (resid    48 and name     HB1) or 
        (resid    48 and name     HB2))   ((resid     2 and name    HE21) or 
                                           (resid    49 and name    HE21))      3.913 3.913 0.978 ! 2.94823 B-0169-0544 B-0168-0544 

assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2) or 
        (resid    16 and name     HG1) or 
        (resid    16 and name     HG2) or 
        (resid    49 and name     HG1) or 
        (resid    49 and name     HG2))   ((resid     2 and name    HE22) or 
                                           (resid    49 and name    HE22))      3.400 3.400 0.850 ! 2.69212 B-0174-0543 B-0175-0543 B-0173-0543 

!*****assign ((resid     2 and name     HG1) or 
!*****        (resid     2 and name     HG2))   ((resid     2 and name     HG2) or 
!*****                                           (resid     2 and name     HG1))        1.939 1.939 0.485  ! 1.763 C-2187-2814 

!*****assign ((resid     2 and name     HG1) or 
!*****        (resid     2 and name     HG2))   ((resid     2 and name     HG2) or 
!*****                                           (resid     2 and name     HG1))        1.848 1.848 0.462  ! 1.763 C-2258-2815 

assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2))   ((resid     2 and name      HN))      3.457 3.457 0.864 ! 3.93037 A-0113-0135 

assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2) or 
        (resid    16 and name     HG1) or 
        (resid    16 and name     HG2))   ((resid     2 and name      HN))      3.606 3.606 0.901 ! 3.73778 B-0049-0134 B-0050-0134 

assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid     3 and name      HA) or 
                                           (resid    29 and name      HA))      4.562 4.562 1.141 ! 4.34827 D-1106-2860 D-1107-2860 D-1105-2860 

assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid     3 and name    HG2#))      4.304 4.304 1.076 ! 3.8682 D-0983-2227 D-0982-2227 

assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid     3 and name    HG2#))      4.351 4.351 1.088 ! 3.8682 D-1109-2861 D-1108-2861 

assign ((resid     2 and name      HA))   ((resid     3 and name      HN))      1.969 0.492 0.492 ! 2.098 A-0398-0470 

assign ((resid     2 and name     HB*))   ((resid     3 and name      HA))      4.990 4.990 1.248 ! 4.902 C-0211-0254 

assign ((resid     2 and name     HB*))   ((resid     3 and name      HN))      4.261 4.261 1.065 ! 4.227 A-0401-0475 

assign ((resid     2 and name     HB*))   ((resid     3 and name      HN))      3.649 3.649 0.912 ! 3.986 A-0400-0476 

assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2))   ((resid     3 and name      HA) or 
                                           (resid    29 and name      HA))      4.956 4.956 1.239 ! 3.50635 D-0921-2172 D-0922-2172 

assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2))   ((resid     3 and name      HN))      3.990 3.990 0.998 ! 2.7757 A-0402-0473 

assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2) or 
        (resid    16 and name     HG1) or 
        (resid    16 and name     HG2))   ((resid     3 and name      HN))      4.137 4.137 1.034 ! 2.75364 B-0150-0471 B-0151-0471 

assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid     5 and name      HA))      4.253 4.253 1.063 ! 4.44614 D-1137-2859 D-1136-2859 

assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid     5 and name    HG1#) or 
                                           (resid    17 and name    HG1#))      3.794 3.794 0.949 ! 3.7268 D-0662-1456 D-0660-1456 D-0661-1456 D-0659-1456 

assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid     5 and name    HG1#) or 
                                           (resid    17 and name    HG1#))      3.396 3.396 0.849 ! 3.7268 D-1141-2855 D-1140-2855 D-1139-2855 D-1138-2855 

assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid     6 and name     HB*))      3.367 3.367 0.842 ! 2.86296 D-1148-2863 D-1147-2863 

assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid     6 and name     HB*))      3.660 3.660 0.915 ! 4.38179 D-1065-2709 D-1064-2709 

assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid     6 and name     HB*))      3.387 3.387 0.847 ! 4.38179 D-1146-2862 D-1145-2862 

assign ((resid     2 and name    HE22))   ((resid    12 and name    HG2#) or 
                                           (resid    14 and name    HG2#))      3.863 3.863 0.966 ! 4.60056 B-0177-0545 B-0176-0545 

assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid    14 and name    HG2#))      3.685 3.685 0.921 ! 6.08266 D-0704-1549 D-0703-1549 

assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid    14 and name    HG2#))      3.888 3.888 0.972 ! 6.08266 D-1113-2856 D-1112-2856 

assign ((resid     2 and name     HB*))   ((resid    14 and name    HG2#))      3.520 3.520 0.880 ! 6.12 C-0209-0252 

assign ((resid     2 and name     HB*))   ((resid    14 and name    HG2#))      3.520 3.520 0.880 ! 6.12 C-1185-1542 

assign ((resid     2 and name     HB*))   ((resid    14 and name    HG2#))      3.228 3.228 0.807 ! 5.767 C-0215-0253 

assign ((resid     2 and name     HB*))   ((resid    14 and name    HG2#))      2.950 2.950 0.738 ! 5.767 C-1186-1543 

assign ((resid     2 and name    HE21))   ((resid    14 and name    HG2#))      3.573 3.573 0.893 ! 5.635 A-0452-0546 

assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2))   ((resid    14 and name      HB))      4.689 4.689 1.172 ! 2.64558 C-0447-0571 

assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2))   ((resid    14 and name      HB))      4.732 4.732 1.183 ! 2.64558 C-2189-2809 

assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2))   ((resid    14 and name      HB))      4.948 4.948 1.237 ! 2.64558 C-2200-2810 

assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2))   ((resid    14 and name    HG2#))      2.958 2.958 0.740 ! 3.7011 C-1189-1547 

assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2))   ((resid    14 and name    HG2#))      3.160 3.160 0.790 ! 3.7011 C-1187-1548 

assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2))   ((resid    14 and name    HG2#))      3.028 3.028 0.757 ! 3.7011 C-2190-2812 

assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2))   ((resid    14 and name    HG2#))      3.294 3.294 0.824 ! 3.7011 C-2201-2813 

assign ((resid     2 and name      HA))   ((resid    15 and name      HN))      4.176 1.044 1.044 ! 4.21 A-0035-0030 

assign ((resid     2 and name      HA))   ((resid    16 and name      HA))      2.322 0.581 0.581 ! 2.647 C-2214-2868 

assign ((resid     2 and name      HA))   ((resid    16 and name      HA))      2.289 0.572 0.572 ! 2.647 C-2269-2954 

assign ((resid     2 and name     HG1) or 
        (resid     2 and name     HG2))   ((resid    16 and name      HA))      4.431 4.431 1.108 ! 4.53243 C-2273-2953 

assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid    17 and name    HG2#))      3.985 3.985 0.996 ! 3.92775 D-0870-2021 D-0869-2021 

assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid    17 and name    HG2#))      3.896 3.896 0.974 ! 3.92775 D-1111-2858 D-1110-2858 

assign ((resid     2 and name      HA))   ((resid    17 and name      HN))      3.808 0.952 0.952 ! 3.556 A-0354-0423 

assign ((resid     2 and name      HN))   ((resid    63 and name      HA))      4.129 1.032 1.032 ! 4.222 A-0116-0141 

assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      4.069 4.069 1.017 ! 3.77791 D-0741-1612 D-0740-1612 D-0739-1612 

assign ((resid     2 and name      HA) or 
        (resid    68 and name      HA))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      3.751 3.751 0.938 ! 3.77791 D-1144-2857 D-1143-2857 D-1142-2857 

!assign ((resid     3 and name      HA) or 
!        (resid    29 and name      HA))   ((resid     3 and name      HB))      2.286 2.286 0.572 ! 2.42698 D-0715-1658 D-0716-1658 

assign ((resid     3 and name      HA) or 
        (resid    29 and name      HA))   ((resid     3 and name    HD1#))      3.422 3.422 0.856 ! 4.15448 D-1082-2724 D-1083-2724 

assign ((resid     3 and name      HA))   ((resid     3 and name    HG11) or 
                                           (resid     3 and name    HG12))      3.794 3.794 0.949 ! 3.32135 C-0859-1057 

assign ((resid     3 and name      HA) or 
        (resid    29 and name      HA))   ((resid     3 and name    HG11) or 
                                           (resid     3 and name    HG12))      4.479 4.479 1.120 ! 3.3201 D-0401-1056 D-0402-1056 

assign ((resid     3 and name      HA) or 
        (resid    29 and name      HA))   ((resid     3 and name    HG2#))      2.215 2.215 0.554 ! 2.37696 D-0984-2221 D-0985-2221 

assign ((resid     3 and name      HA))   ((resid     3 and name      HN))      3.117 0.779 0.779 ! 2.949 A-0392-0483 

!assign ((resid     3 and name      HB))   ((resid     3 and name      HA) or 
!                                           (resid    29 and name      HA))      2.159 2.159 0.540 ! 2.42698 D-0919-2165 D-0920-2165 

assign ((resid     3 and name      HB))   ((resid     3 and name    HD1#))      2.346 2.346 0.587 ! 2.232 C-2139-2722 

!assign ((resid     3 and name      HB))   ((resid     3 and name    HG11) or 
!                                           (resid     3 and name    HG12))      3.316 3.316 0.829 ! 2.44143 C-0879-1053 

!assign ((resid     3 and name      HB) or 
!        (resid     8 and name     HB*))   ((resid     3 and name    HG11) or 
!                                           (resid     3 and name    HG12) or 
!                                           (resid     8 and name    HD1#) or 
!                                           (resid     8 and name    HD2#))      2.504 2.504 0.626 ! 1.9476 D-0393-1022 D-0394-1022 

!assign ((resid     3 and name      HB))   ((resid     3 and name    HG2#))      2.117 2.117 0.529 ! 2.098 C-1778-2217 

assign ((resid     3 and name      HB))   ((resid     3 and name      HN))      4.297 1.074 1.074 ! 3.936 A-0396-0480 

assign ((resid     3 and name    HD1#))   ((resid     3 and name      HA) or 
                                           (resid    29 and name      HA))      3.200 3.200 0.800 ! 4.15448 D-0913-2171 D-0914-2171 

assign ((resid     3 and name    HD1#))   ((resid     3 and name      HB))      2.361 2.361 0.590 ! 2.232 C-1229-1660 

!assign ((resid     3 and name    HD1#))   ((resid     3 and name    HG11) or 
!                                           (resid     3 and name    HG12))      2.044 2.044 0.511 ! 1.923 C-0856-1061 

!assign ((resid     3 and name    HD1#))   ((resid     3 and name    HG11) or 
!                                           (resid     3 and name    HG12))      1.985 1.985 0.496 ! 1.923 C-0876-1062 

!assign ((resid     3 and name    HD1#))   ((resid     3 and name    HG2#))      1.991 1.991 0.498 ! 2.281 C-1767-2226 

assign ((resid     3 and name    HD1#))   ((resid     3 and name      HN))      3.727 3.727 0.932 ! 4.204 A-0399-0474 

assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12))   ((resid     3 and name      HA) or 
                                           (resid    29 and name      HA))      3.832 3.832 0.958 ! 3.3201 D-0909-2162 D-0910-2162 

!assign ((resid     3 and name    HG11) or 
!        (resid     3 and name    HG12) or 
!        (resid     8 and name    HD1#) or 
!        (resid     8 and name    HD2#))   ((resid     3 and name      HB) or 
!                                           (resid     8 and name     HB*))      2.518 2.518 0.629 ! 1.9476 D-0718-1653 D-0717-1653 

!assign ((resid     3 and name    HG11) or 
!        (resid     3 and name    HG12))   ((resid     3 and name    HD1#))      2.121 2.121 0.530 ! 1.923 C-2133-2715 

!assign ((resid     3 and name    HG11) or 
!        (resid     3 and name    HG12))   ((resid     3 and name    HD1#))      1.917 1.917 0.479 ! 1.923 C-2130-2716 

!*****assign ((resid     3 and name    HG11) or 
!*****        (resid     3 and name    HG12))   ((resid     3 and name    HG12) or 
!*****                                           (resid     3 and name    HG11))        2.041 2.041 0.510  ! 1.763 C-0855-1048 

!*****assign ((resid     3 and name    HG11) or 
!*****        (resid     3 and name    HG12))   ((resid     3 and name    HG12) or 
!*****                                           (resid     3 and name    HG11))        1.942 1.942 0.485  ! 1.763 C-0874-1049 

!assign ((resid     3 and name    HG11) or 
!        (resid     3 and name    HG12))   ((resid     3 and name    HG2#))      3.088 3.088 0.772 ! 2.37569 C-1773-2211 

!assign ((resid     3 and name    HG11) or 
!        (resid     3 and name    HG12))   ((resid     3 and name    HG2#))      2.709 2.709 0.677 ! 2.37569 C-1762-2212 

assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12))   ((resid     3 and name      HN))      3.435 3.435 0.859 ! 2.49432 A-0403-0478 

assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12))   ((resid     3 and name      HN))      3.301 3.301 0.825 ! 2.49432 A-0394-0479 

assign ((resid     3 and name    HG2#))   ((resid     3 and name      HA) or 
                                           (resid    29 and name      HA))      2.094 2.094 0.523 ! 2.37696 D-0932-2169 D-0933-2169 

!assign ((resid     3 and name    HG2#))   ((resid     3 and name      HB))      2.133 2.133 0.533 ! 2.098 C-1230-1659 

!assign ((resid     3 and name    HG2#))   ((resid     3 and name    HD1#))      2.102 2.102 0.525 ! 2.281 C-2135-2725 

!assign ((resid     3 and name    HG2#))   ((resid     3 and name    HG11) or 
!                                           (resid     3 and name    HG12))      2.993 2.993 0.748 ! 2.37569 C-0857-1058 

!assign ((resid     3 and name    HG2#))   ((resid     3 and name    HG11) or 
!                                           (resid     3 and name    HG12))      2.845 2.845 0.711 ! 2.37569 C-0875-1059 

assign ((resid     3 and name    HG2#))   ((resid     3 and name      HN))      3.291 3.291 0.823 ! 3.129 A-0393-0484 

assign ((resid     3 and name      HA) or 
        (resid    29 and name      HA))   ((resid     4 and name      HA))      4.501 4.501 1.125 ! 4.41858 D-0907-2173 D-0908-2173 

assign ((resid     3 and name      HA) or 
        (resid    29 and name      HA))   ((resid     4 and name      HA))      4.728 4.728 1.182 ! 4.41858 D-1103-2833 D-1104-2833 

assign ((resid     3 and name      HA) or 
        (resid    29 and name      HA))   ((resid     4 and name     HD1) or 
                                           (resid     4 and name     HD2))      4.598 4.598 1.149 ! 3.5824 D-0934-2158 D-0935-2158 

assign ((resid     3 and name      HA))   ((resid     4 and name      HN))      2.251 0.563 0.563 ! 2.386 A-0324-0402 

assign ((resid     3 and name      HB))   ((resid     4 and name      HN))      2.372 0.593 0.593 ! 2.361 A-0330-0398 

assign ((resid     3 and name    HD1#))   ((resid     4 and name      HN))      4.064 4.064 1.016 ! 3.936 A-0328-0394 

assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12))   ((resid     4 and name      HA))      4.830 4.830 1.208 ! 3.98221 C-2204-2825 

assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12))   ((resid     4 and name      HN))      4.252 4.252 1.063 ! 3.52001 A-0326-0396 

assign ((resid     3 and name    HG2#))   ((resid     4 and name      HN))      3.294 3.294 0.824 ! 3.623 A-0325-0403 

assign ((resid     3 and name    HD1#))   ((resid     5 and name    HG2#))      2.614 2.614 0.653 ! 2.872 C-1401-1770 

assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12))   ((resid     5 and name    HG1#) or 
                                           (resid    17 and name    HG1#))      3.635 3.635 0.909 ! 2.74622 D-0390-1051 D-0392-1051 

assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12))   ((resid     5 and name    HG2#))      3.672 3.672 0.918 ! 3.20401 C-1396-1756 

assign ((resid     3 and name    HG2#))   ((resid     5 and name    HG2#))      4.043 4.043 1.011 ! 5.082 C-1774-2218 

!assign ((resid     3 and name    HG11) or 
!        (resid     3 and name    HG12))   ((resid    12 and name    HG2#) or 
!                                           (resid    55 and name    HG2#))        4.639 4.639 1.160  ! 6.10111 D-0403-1052 D-0404-1052 

assign ((resid     3 and name      HN))   ((resid    12 and name    HG2#) or 
                                           (resid    14 and name    HG2#))      4.145 4.145 1.036 ! 5.29477 B-0153-0481 B-0152-0481 

assign ((resid     3 and name      HA) or 
        (resid    29 and name      HA))   ((resid    15 and name    HD1#) or 
                                           (resid    15 and name    HD2#))      3.765 3.765 0.941 ! 5.20777 D-0917-2163 D-0918-2163 

assign ((resid     3 and name      HB))   ((resid    15 and name     HB*))      4.979 4.979 1.245 ! 5.184 C-0711-0888 

assign ((resid     3 and name      HB))   ((resid    15 and name     HB*))      4.902 4.902 1.226 ! 5.184 C-1225-1651 

assign ((resid     3 and name    HD1#))   ((resid    15 and name     HB*))      3.896 3.896 0.974 ! 3.435 C-0724-0896 

assign ((resid     3 and name    HD1#))   ((resid    15 and name     HB*))      3.486 3.486 0.872 ! 3.422 C-0712-0895 

assign ((resid     3 and name    HD1#))   ((resid    15 and name     HB*))      3.181 3.181 0.795 ! 3.422 C-2140-2714 

assign ((resid     3 and name    HD1#))   ((resid    15 and name    HD1#) or 
                                           (resid    15 and name    HD2#))      2.886 2.886 0.722 ! 4.627 C-0648-0743 

assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12))   ((resid    15 and name     HB*))      2.991 2.991 0.748 ! 2.55139 C-0863-1046 

assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12))   ((resid    15 and name     HB*))      3.235 3.235 0.809 ! 2.55139 C-0878-1047 

assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12))   ((resid    15 and name      HN))      4.395 4.395 1.099 ! 3.05189 A-0028-0036 

assign ((resid     3 and name    HG2#))   ((resid    15 and name     HB*))      4.870 4.870 1.218 ! 5.228 C-0716-0893 

assign ((resid     3 and name    HG2#))   ((resid    15 and name     HB*))      4.444 4.444 1.111 ! 5.228 C-1776-2210 

assign ((resid     3 and name      HN))   ((resid    15 and name     HB*))      4.395 4.395 1.099 ! 3.946 A-0404-0477 

assign ((resid     3 and name      HN))   ((resid    16 and name      HA))      4.092 1.023 1.023 ! 3.721 A-0397-0472 

assign ((resid     3 and name      HA) or 
        (resid    29 and name      HA))   ((resid    17 and name    HG2#))      4.766 4.766 1.192 ! 4.77875 D-0915-2167 D-0916-2167 

assign ((resid     3 and name      HB))   ((resid    17 and name    HG2#))      4.323 4.323 1.081 ! 4.203 C-1228-1657 

assign ((resid     3 and name      HB))   ((resid    17 and name    HG2#))      4.414 4.414 1.103 ! 4.203 C-1539-2012 

assign ((resid     3 and name    HD1#))   ((resid    17 and name      HB))      4.777 4.777 1.194 ! 4.176 C-2001-2537 

assign ((resid     3 and name    HD1#))   ((resid    17 and name      HB))      4.191 4.191 1.048 ! 4.176 C-2142-2729 

assign ((resid     3 and name    HD1#))   ((resid    17 and name    HG1#))      2.413 2.413 0.603 ! 2.782 C-1160-1467 

assign ((resid     3 and name    HD1#))   ((resid    17 and name    HG1#))      2.376 2.376 0.594 ! 2.782 C-2128-2721 

assign ((resid     3 and name    HD1#))   ((resid    17 and name    HG2#))      2.315 2.315 0.579 ! 2.187 C-1530-2020 

assign ((resid     3 and name    HD1#))   ((resid    17 and name    HG2#))      2.330 2.330 0.583 ! 2.187 C-2127-2723 

assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12))   ((resid    17 and name    HG1#))      3.710 3.710 0.927 ! 2.75249 C-1159-1463 

assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12))   ((resid    17 and name    HG2#))      3.196 3.196 0.799 ! 2.23226 C-0858-1054 

assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12))   ((resid    17 and name    HG2#))      2.866 2.866 0.717 ! 2.23226 C-0877-1055 

assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12))   ((resid    17 and name    HG2#))      3.355 3.355 0.839 ! 2.23226 C-1526-2007 

assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12))   ((resid    17 and name    HG2#))      2.715 2.715 0.679 ! 2.23226 C-1528-2008 

assign ((resid     3 and name    HG2#))   ((resid    17 and name      HB))      4.501 4.501 1.125 ! 4.767 C-1777-2225 

assign ((resid     3 and name    HG2#))   ((resid    17 and name    HG1#))      3.510 3.510 0.877 ! 3.99 C-1766-2215 

assign ((resid     3 and name    HG2#))   ((resid    17 and name    HG2#))      2.326 2.326 0.582 ! 2.403 C-1533-2015 

assign ((resid     3 and name    HG2#))   ((resid    17 and name    HG2#))      2.205 2.205 0.551 ! 2.403 C-1771-2219 

assign ((resid     3 and name      HN))   ((resid    17 and name    HG2#))      3.808 3.808 0.952 ! 3.696 A-0395-0482 

assign ((resid     3 and name    HD1#))   ((resid    26 and name    HG2#))      2.925 2.925 0.731 ! 3.132 C-1002-1315 

assign ((resid     3 and name    HD1#))   ((resid    26 and name    HG2#))      3.083 3.083 0.771 ! 3.132 C-2134-2718 

assign ((resid     3 and name      HA) or 
        (resid    29 and name      HA))   ((resid    29 and name     HG1) or 
                                           (resid    29 and name     HG2))      2.773 2.773 0.693 ! 2.48757 D-0324-0870 D-0325-0870 

assign ((resid     3 and name    HD1#))   ((resid    30 and name    HD1#))      4.110 4.110 1.028 ! 4.509 C-2137-2730 

assign ((resid     3 and name      HA) or 
        (resid    29 and name      HA))   ((resid    33 and name     HE1) or 
                                           (resid    33 and name     HE2) or 
                                           (resid    48 and name     HE1) or 
                                           (resid    48 and name     HE2))      4.752 4.752 1.188 ! 5.84377 D-0774-1666 D-0776-1666 D-0775-1666 

!assign ((resid     3 and name    HD1#))   ((resid    43 and name     HB2))       4.931 1.233 1.233  ! 7.114 C-2138-2717 

assign ((resid     3 and name    HD1#))   ((resid    50 and name     HD*))      4.617 4.617 1.154 ! 4.816 C-0759-0968 

!assign ((resid     3 and name      HA))   ((resid    56 and name    HD*))       4.699 4.699 1.175  ! 6.435 C-1692-2176 

assign ((resid     3 and name    HD1#))   ((resid    56 and name     HD*))      2.917 2.917 0.729 ! 2.683 C-0668-0840 

assign ((resid     3 and name    HD1#))   ((resid    56 and name     HD*))      2.475 2.475 0.619 ! 2.683 C-2131-2713 

assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12))   ((resid    56 and name     HD*))      3.453 3.453 0.863 ! 3.9928 C-0861-1045 

assign ((resid     3 and name    HG2#))   ((resid    56 and name     HD*))      3.290 3.290 0.823 ! 3.201 C-1770-2209 

assign ((resid     3 and name      HB))   ((resid    61 and name    HG2#))      4.113 4.113 1.028 ! 3.889 C-1854-2372 

assign ((resid     3 and name    HD1#))   ((resid    61 and name    HG2#))      2.712 2.712 0.678 ! 3.243 C-1844-2383 

assign ((resid     3 and name    HD1#))   ((resid    61 and name    HG2#))      2.793 2.793 0.698 ! 3.243 C-2129-2727 

assign ((resid     3 and name      HA))   ((resid    63 and name      HA))      4.501 1.125 1.125 ! 4.581 C-1670-2178 

assign ((resid     3 and name    HG2#))   ((resid    63 and name      HA))      2.909 2.909 0.727 ! 3.083 C-1768-2224 

assign ((resid     3 and name    HG2#))   ((resid    63 and name      HA))      2.736 2.736 0.684 ! 3.083 C-1924-2467 

assign ((resid     3 and name    HG2#))   ((resid    63 and name     HB1))      4.964 4.964 1.241 ! 4.825 C-1757-2205 

!assign ((resid     3 and name    HG2#))   ((resid    63 and name     HD1) or 
!                                           (resid    63 and name     HD2))        4.253 4.253 1.063  ! 6.07059 C-1761-2208 

assign ((resid     3 and name    HG2#))   ((resid    63 and name     HD1) or 
                                           (resid    63 and name     HD2) or 
                                           (resid    67 and name      HG))      4.855 4.855 1.214 ! 4.38382 D-0106-0443 D-0105-0443 

assign ((resid     3 and name      HA))   ((resid    64 and name      HA))      2.726 0.681 0.681 ! 2.834 C-1669-2177 

assign ((resid     3 and name      HA))   ((resid    64 and name      HA))      2.756 0.689 0.689 ! 2.834 C-1936-2455 

assign ((resid     3 and name      HA))   ((resid    64 and name      HN))      3.138 0.784 0.784 ! 3.193 A-0422-0506 

assign ((resid     3 and name    HG2#))   ((resid    64 and name      HA))      4.166 4.166 1.042 ! 3.928 C-1764-2223 

assign ((resid     3 and name    HG2#))   ((resid    64 and name      HA))      4.115 4.115 1.029 ! 3.928 C-1933-2456 

assign ((resid     3 and name    HG2#))   ((resid    64 and name      HN))      3.171 3.171 0.793 ! 3.055 A-0423-0507 

assign ((resid     3 and name      HA))   ((resid    65 and name      HN))      3.450 0.863 0.863 ! 3.4 A-0412-0495 

assign ((resid     3 and name      HB))   ((resid    65 and name     HB1))      4.787 1.197 1.197 ! 4.594 C-1306-1654 

assign ((resid     3 and name      HB))   ((resid    65 and name     HB2))      4.202 1.050 1.050 ! 3.47 C-1038-1357 

assign ((resid     3 and name      HB))   ((resid    65 and name     HB2))      4.377 1.094 1.094 ! 3.47 C-1227-1655 

assign ((resid     3 and name    HD1#))   ((resid    65 and name     HB1))      4.651 4.651 1.163 ! 5.181 C-1022-1367 

assign ((resid     3 and name    HD1#))   ((resid    65 and name     HB2))      4.602 4.602 1.151 ! 4.419 C-1030-1368 

assign ((resid     3 and name    HD1#))   ((resid    65 and name     HB2))      4.609 4.609 1.152 ! 4.419 C-2126-2720 

assign ((resid     3 and name    HG2#))   ((resid    65 and name      HA))      4.745 4.745 1.186 ! 4.726 C-1759-2220 

assign ((resid     3 and name    HG2#))   ((resid    65 and name     HB1))      3.779 3.779 0.945 ! 3.966 C-1760-2213 

assign ((resid     3 and name    HG2#))   ((resid    65 and name     HB2))      3.157 3.157 0.789 ! 2.425 C-1772-2214 

assign ((resid     3 and name    HG2#))   ((resid    65 and name      HN))      2.735 2.735 0.684 ! 2.714 A-0417-0496 

assign ((resid     3 and name      HB))   ((resid    66 and name      HA))      4.934 1.234 1.234 ! 4.129 C-1226-1656 

!assign ((resid     3 and name    HG2#))   ((resid    66 and name    HG2#))       4.907 1.227 1.227  ! 6.32 C-1758-2216 

assign ((resid     3 and name      HB))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.312 3.312 0.828 ! 3.4535 C-0885-1119 

assign ((resid     3 and name      HB))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.305 3.305 0.826 ! 3.4535 D-0713-1652 D-0714-1652 

assign ((resid     3 and name    HD1#))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2))      4.708 4.708 1.177 ! 3.95272 C-1040-1347 

assign ((resid     3 and name    HD1#))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      2.534 2.534 0.633 ! 2.08178 D-0411-1122 D-0412-1122 

assign ((resid     3 and name    HD1#))   ((resid    67 and name      HG))      3.567 3.567 0.892 ! 2.426 C-0383-0458 

assign ((resid     3 and name    HD1#))   ((resid    67 and name      HG))      3.551 3.551 0.888 ! 2.426 C-2132-2712 

assign ((resid     3 and name    HG11) or 
        (resid     3 and name    HG12) or 
        (resid     8 and name    HD1#) or 
        (resid     8 and name    HD2#))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2) or 
                                           (resid    69 and name     HB1))      4.931 4.931 1.233 ! 4.70078 D-0351-1019 D-0391-1019 D-0352-1019 D-0353-1019 

!assign ((resid     4 and name      HA))   ((resid     4 and name     HB1))      2.711 0.678 0.678 ! 2.472 C-1358-1847 

!assign ((resid     4 and name      HA))   ((resid     4 and name     HB2))      3.143 0.786 0.786 ! 3.031 C-1352-1846 

assign ((resid     4 and name      HA))   ((resid     4 and name     HD1) or 
                                           (resid     4 and name     HD2))      2.798 2.798 0.700 ! 2.75298 C-2510-10060 

assign ((resid     4 and name      HA))   ((resid     4 and name      HN))      3.414 0.854 0.854 ! 3.022 A-0333-0393 

!assign ((resid     4 and name     HB1))   ((resid     4 and name      HA))      2.514 0.628 0.628 ! 2.472 C-2209-2830 

!*****assign ((resid     4 and name     HB1))   ((resid     4 and name     HB2))       1.944 0.486 0.486  ! 1.763 C-1417-1843 

assign ((resid     4 and name     HB1))   ((resid     4 and name     HD1) or 
                                           (resid     4 and name     HD2))      2.921 2.921 0.730 ! 2.42423 C-2507-10058 

assign ((resid     4 and name     HB1))   ((resid     4 and name      HN))      3.678 0.919 0.919 ! 3.777 A-0331-0401 

!assign ((resid     4 and name     HB2))   ((resid     4 and name      HA))      3.131 0.783 0.783 ! 3.031 C-2211-2829 

!*****assign ((resid     4 and name     HB2))   ((resid     4 and name     HB1))       1.958 0.489 0.489  ! 1.763 C-1359-1844 

assign ((resid     4 and name     HB2))   ((resid     4 and name     HD1) or 
                                           (resid     4 and name     HD2))      2.861 2.861 0.715 ! 2.34633 C-2508-10057 

assign ((resid     4 and name     HB2))   ((resid     4 and name      HN))      3.124 0.781 0.781 ! 2.591 A-0329-0400 

assign ((resid     4 and name     HD1) or 
        (resid     4 and name     HD2))   ((resid     4 and name      HA))      2.773 2.773 0.693 ! 2.75298 C-2210-2823 

assign ((resid     4 and name     HD1) or 
        (resid     4 and name     HD2))   ((resid     4 and name     HB1))      2.923 2.923 0.731 ! 2.42423 C-1355-1836 

assign ((resid     4 and name     HD1) or 
        (resid     4 and name     HD2))   ((resid     4 and name     HB2))      2.919 2.919 0.730 ! 2.34633 C-1351-1835 

assign ((resid     4 and name     HD1) or 
        (resid     4 and name     HD2))   ((resid     4 and name      HN))      3.941 3.941 0.985 ! 2.86949 A-0332-0395 

assign ((resid     4 and name      HA))   ((resid     5 and name      HA))      4.780 1.195 1.195 ! 4.44 C-2212-2832 

assign ((resid     4 and name      HA))   ((resid     5 and name    HG2#))      3.717 3.717 0.929 ! 3.765 C-1399-1771 

assign ((resid     4 and name      HA))   ((resid     5 and name    HG2#))      3.697 3.697 0.924 ! 3.765 C-2207-2827 

assign ((resid     4 and name      HA))   ((resid     5 and name      HN))      2.199 0.550 0.550 ! 2.305 A-0218-0266 

assign ((resid     4 and name     HB1) or 
        (resid     6 and name     HE1) or 
        (resid     6 and name     HE2) or 
        (resid    11 and name     HE1) or 
        (resid    11 and name     HE2))   ((resid     5 and name      HN))      3.316 3.316 0.829 ! 3.21301 B-0096-0271 B-0097-0271 B-0098-0271 

assign ((resid     4 and name     HB2))   ((resid     5 and name      HN))      4.201 1.050 1.050 ! 4.147 A-0217-0272 

assign ((resid     4 and name      HA))   ((resid    12 and name    HG2#) or 
                                           (resid    14 and name    HG2#))      3.335 3.335 0.834 ! 2.94979 D-0689-1525 D-0707-1525 

assign ((resid     4 and name      HA))   ((resid    12 and name    HG2#) or 
                                           (resid    14 and name    HG2#))      2.982 2.982 0.746 ! 2.94979 D-1102-2826 D-1101-2826 

assign ((resid     4 and name     HB1))   ((resid    12 and name      HB))      4.777 1.194 1.194 ! 4.623 C-0446-0519 

assign ((resid     4 and name     HB1))   ((resid    12 and name    HG2#))      2.317 2.317 0.579 ! 2.085 C-1153-1521 

assign ((resid     4 and name     HB1))   ((resid    12 and name    HG2#))      2.430 2.430 0.608 ! 2.085 C-1356-1838 

assign ((resid     4 and name     HB2))   ((resid    12 and name    HG2#))      3.126 3.126 0.781 ! 3.412 C-1154-1520 

assign ((resid     4 and name     HB2))   ((resid    12 and name    HG2#))      2.861 2.861 0.715 ! 3.412 C-1419-1837 

assign ((resid     4 and name     HD1) or 
        (resid     4 and name     HD2))   ((resid    12 and name    HG2#) or 
                                           (resid    14 and name    HG2#))      2.905 2.905 0.726 ! 1.88263 D-0692-1514 D-0708-1514 

assign ((resid     4 and name     HD1) or 
        (resid     4 and name     HD2))   ((resid    12 and name    HG2#) or 
                                           (resid    14 and name    HG2#))      2.638 2.638 0.659 ! 1.88263 D-1289-10055 D-1290-10055 

assign ((resid     4 and name      HA))   ((resid    14 and name      HA))      2.274 0.569 0.569 ! 2.499 C-1410-1869 

assign ((resid     4 and name      HA))   ((resid    14 and name      HA))      2.354 0.589 0.589 ! 2.499 C-2206-2831 

!*****assign ((resid     4 and name      HA))   ((resid    14 and name      HB))       4.261 1.065 1.065  ! 4.458 C-0448-0572 

assign ((resid     4 and name      HA))   ((resid    14 and name      HB))      4.542 1.135 1.135 ! 4.458 C-2208-2824 

assign ((resid     4 and name     HD1) or 
        (resid     4 and name     HD2))   ((resid    14 and name      HA))      2.973 2.973 0.743 ! 3.42163 C-1415-1860 

assign ((resid     4 and name     HD1) or 
        (resid     4 and name     HD2))   ((resid    14 and name      HA))      3.175 3.175 0.794 ! 3.42163 C-2509-10059 

assign ((resid     4 and name     HD1) or 
        (resid     4 and name     HD2))   ((resid    14 and name      HB))      4.830 4.830 1.208 ! 4.08862 C-2512-10054 

assign ((resid     4 and name     HE1) or 
        (resid     4 and name     HE2))   ((resid    14 and name    HG2#))      3.193 3.193 0.798 ! 2.25826 C-1190-1545 

assign ((resid     4 and name     HE1) or 
        (resid     4 and name     HE2))   ((resid    14 and name    HG2#))      3.439 3.439 0.860 ! 2.25826 C-2515-10062 

assign ((resid     4 and name      HA))   ((resid    15 and name      HN))      3.819 0.955 0.955 ! 3.651 A-0032-0029 

assign ((resid     4 and name     HD1) or 
        (resid     4 and name     HD2))   ((resid    64 and name      HA))      3.966 3.966 0.992 ! 3.04725 C-1938-2450 

assign ((resid     4 and name     HE1) or 
        (resid     4 and name     HE2))   ((resid    64 and name      HA))      3.287 3.287 0.822 ! 2.53197 C-1939-2451 

assign ((resid     4 and name     HE1) or 
        (resid     4 and name     HE2))   ((resid    64 and name      HA))      3.630 3.630 0.907 ! 2.53197 C-2516-10063 

assign ((resid     4 and name     HE1) or 
        (resid     4 and name     HE2))   ((resid    64 and name     HB1))      3.824 3.824 0.956 ! 2.59372 C-0787-0973 

assign ((resid     4 and name     HE1) or 
        (resid     4 and name     HE2))   ((resid    64 and name     HB1))      3.653 3.653 0.913 ! 2.59372 C-2514-10061 

assign ((resid     4 and name     HE1) or 
        (resid     4 and name     HE2))   ((resid    64 and name     HB2))      4.023 4.023 1.006 ! 4.07581 C-0741-0974 

assign ((resid     4 and name     HE1) or 
        (resid     4 and name     HE2))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      4.666 4.666 1.167 ! 2.39866 C-2012-2591 

assign ((resid     4 and name     HE1) or 
        (resid     4 and name     HE2))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      4.435 4.435 1.109 ! 2.39866 C-2020-2592 

assign ((resid     4 and name     HE1) or 
        (resid     4 and name     HE2))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      4.503 4.503 1.126 ! 2.39866 C-2513-10064 

assign ((resid     4 and name      HA))   ((resid    66 and name      HA))      4.522 1.131 1.131 ! 4.537 C-1313-1782 

assign ((resid     4 and name      HA))   ((resid    66 and name      HA))      4.598 1.149 1.149 ! 4.537 C-2205-2828 

assign ((resid     4 and name      HA))   ((resid    66 and name    HG2#))      4.918 4.918 1.230 ! 4.624 C-1247-1611 

assign ((resid     4 and name     HB1))   ((resid    66 and name      HA))      3.145 0.786 0.786 ! 3.919 C-1318-1780 

assign ((resid     4 and name     HB1))   ((resid    66 and name      HA))      2.894 0.724 0.724 ! 3.919 C-1357-1842 

assign ((resid     4 and name     HB1))   ((resid    66 and name    HG2#))      2.890 2.890 0.723 ! 3.168 C-1354-1840 

assign ((resid     4 and name     HB2))   ((resid    66 and name      HA))      2.515 0.629 0.629 ! 2.439 C-1319-1779 

assign ((resid     4 and name     HB2))   ((resid    66 and name      HA))      2.601 0.650 0.650 ! 2.439 C-1353-1841 

assign ((resid     4 and name     HB2))   ((resid    66 and name    HG2#))      3.131 3.131 0.783 ! 2.732 C-1252-1604 

assign ((resid     4 and name     HB2))   ((resid    66 and name    HG2#))      3.075 3.075 0.769 ! 2.732 C-1418-1839 

assign ((resid     4 and name     HD1) or 
        (resid     4 and name     HD2))   ((resid    66 and name      HA))      3.930 3.930 0.983 ! 3.67867 C-1321-1774 

assign ((resid     4 and name     HD1) or 
        (resid     4 and name     HD2))   ((resid    66 and name      HA))      4.051 4.051 1.013 ! 3.67867 C-2511-10056 

assign ((resid     4 and name     HD1) or 
        (resid     4 and name     HD2))   ((resid    66 and name    HG2#))      4.748 4.748 1.187 ! 4.28686 C-1251-1592 

assign ((resid     4 and name      HN))   ((resid    66 and name      HA))      3.151 0.788 0.788 ! 2.697 A-0323-0397 

assign ((resid     4 and name      HN))   ((resid    66 and name    HG2#))      4.416 4.416 1.104 ! 4.296 A-0327-0399 

!assign ((resid     5 and name      HA))   ((resid     5 and name      HB))      3.238 0.809 0.809 ! 3.031 C-2295-2922 

assign ((resid     5 and name      HA))   ((resid     5 and name    HG1#) or 
                                           (resid    17 and name    HG1#))      2.196 2.196 0.549 ! 2.26578 D-0664-1450 D-0663-1450 

assign ((resid     5 and name      HA))   ((resid     5 and name    HG2#))      2.150 2.150 0.537 ! 2.347 C-1398-1764 

assign ((resid     5 and name      HA))   ((resid     5 and name      HN))      3.353 0.838 0.838 ! 2.944 A-0214-0275 

!assign ((resid     5 and name      HB))   ((resid     5 and name      HA))      3.067 0.767 0.767 ! 3.031 C-1567-2091 

!assign ((resid     5 and name      HB))   ((resid     5 and name    HG1#) or 
!                                           (resid    17 and name    HG1#))      2.172 2.172 0.543 ! 2.1348 D-0672-1457 D-0671-1457 

!assign ((resid     5 and name      HB))   ((resid     5 and name    HG2#))      2.117 2.117 0.529 ! 2.156 C-1406-1772 

assign ((resid     5 and name      HB))   ((resid     5 and name      HN))      2.741 0.685 0.685 ! 2.681 A-0213-0267 

assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid     5 and name      HA))      2.138 2.138 0.534 ! 2.26578 D-0880-2087 D-0879-2087 

!*****assign ((resid     5 and name    HG1#) or 
!*****        (resid    17 and name    HG1#))   ((resid     5 and name      HB))        2.182 2.182 0.545  ! 2.1348 D-1161-2918 D-1160-2918 

!*****assign ((resid     5 and name    HG1#) or 
!*****        (resid    17 and name    HG1#))   ((resid     5 and name    HG2#))        1.714 1.714 0.428  ! 2.06482 D-0818-1758 D-0817-1758 

assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid     5 and name      HN))      4.016 4.016 1.004 ! 3.82973 B-0095-0268 B-0094-0268 

assign ((resid     5 and name    HG2#))   ((resid     5 and name      HA))      2.163 2.163 0.541 ! 2.347 C-1565-2089 

!assign ((resid     5 and name    HG2#))   ((resid     5 and name      HB))      2.150 2.150 0.537 ! 2.156 C-2297-2920 

assign ((resid     5 and name    HG2#))   ((resid     5 and name      HN))      2.862 2.862 0.716 ! 2.787 A-0212-0274 

assign ((resid     5 and name      HA))   ((resid     6 and name      HN))      2.219 0.555 0.555 ! 2.213 A-0496-0598 

assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid     6 and name      HA))      3.879 3.879 0.970 ! 4.08735 D-1171-2963 D-1170-2963 

assign ((resid     5 and name    HG1#))   ((resid     6 and name      HN))      3.013 3.013 0.753 ! 2.907 A-0498-0595 

assign ((resid     5 and name    HG2#))   ((resid     6 and name      HN))      4.050 4.050 1.012 ! 4.172 A-0494-0597 

assign ((resid     5 and name      HB))   ((resid     7 and name    HG2#))      4.503 4.503 1.126 ! 4.095 C-2294-2919 

assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid     7 and name      HA))      3.913 3.913 0.978 ! 4.07115 D-0668-1451 D-0667-1451 

assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid     7 and name      HA))      3.772 3.772 0.943 ! 4.07115 D-0876-2100 D-0875-2100 

assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid     7 and name    HG2#))      2.840 2.840 0.710 ! 2.83965 D-0666-1446 D-0665-1446 

assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid     7 and name    HG2#))      2.892 2.892 0.723 ! 2.83965 D-0720-1623 D-0719-1623 

assign ((resid     5 and name      HN))   ((resid    12 and name    HG2#) or 
                                           (resid    14 and name    HG2#))      3.240 3.240 0.810 ! 2.54597 B-0093-0269 B-0092-0269 

assign ((resid     5 and name      HB))   ((resid    13 and name      HA))      4.815 1.204 1.204 ! 5.156 C-1635-2139 

assign ((resid     5 and name      HB))   ((resid    13 and name      HB))      2.429 0.607 0.607 ! 4.884 C-1457-1889 

assign ((resid     5 and name      HB))   ((resid    13 and name      HB))      2.578 0.644 0.644 ! 4.884 C-2293-2921 

assign ((resid     5 and name      HB))   ((resid    13 and name    HD1#))      2.785 2.785 0.696 ! 3.399 C-2124-2664 

assign ((resid     5 and name      HB))   ((resid    13 and name    HD1#))      2.944 2.944 0.736 ! 3.399 C-2298-2925 

assign ((resid     5 and name      HB))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12))      3.145 3.145 0.786 ! 2.68829 D-0289-0793 D-0290-0793 

assign ((resid     5 and name      HB))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    15 and name      HG))      2.986 2.986 0.747 ! 2.68694 D-0197-0803 D-0196-0803 

assign ((resid     5 and name      HB))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    15 and name      HG) or 
                                           (resid    42 and name     HG1) or 
                                           (resid    42 and name     HG2))      3.025 3.025 0.756 ! 2.68685 D-1158-2916 D-1157-2916 D-1159-2916 

assign ((resid     5 and name      HB))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12))      3.200 3.200 0.800 ! 2.68829 D-1162-2917 D-1163-2917 

!**assign ((resid     5 and name      HB))   ((resid    13 and name    HG2#))       3.109 0.777 0.777  ! 2.556 C-1730-2248 

assign ((resid     5 and name      HB))   ((resid    13 and name    HG2#))      3.525 3.525 0.881 ! 2.556 C-2299-2923 

assign ((resid     5 and name      HB))   ((resid    13 and name      HN))      4.100 1.025 1.025 ! 3.103 A-0503-0609 

assign ((resid     5 and name    HG1#))   ((resid    13 and name      HB))      3.426 3.426 0.857 ! 5.709 C-1461-1884 

assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid    13 and name      HB))      3.847 3.847 0.962 ! 5.65704 D-0680-1447 D-0679-1447 

assign ((resid     5 and name    HG1#))   ((resid    13 and name    HD1#))      2.989 2.989 0.747 ! 3.812 C-1105-1455 

assign ((resid     5 and name    HG1#))   ((resid    13 and name    HD1#))      3.359 3.359 0.840 ! 3.812 C-2064-2655 

assign ((resid     5 and name    HG1#))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12))      4.232 4.232 1.058 ! 4.01707 D-0283-0779 D-0284-0779 

assign ((resid     5 and name    HG2#))   ((resid    13 and name      HB))      3.422 3.422 0.856 ! 5.614 C-1462-1885 

assign ((resid     5 and name    HG2#))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    15 and name      HG) or 
                                           (resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12) or 
                                           (resid    42 and name     HG1) or 
                                           (resid    42 and name     HG2))      3.112 3.112 0.778 ! 3.04372 D-0209-0754 D-0208-0754 D-0210-0754 D-0211-0754 

assign ((resid     5 and name    HG2#))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12))      4.439 4.439 1.110 ! 3.09621 D-0259-0783 D-0260-0783 

assign ((resid     5 and name    HG2#))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    15 and name      HG) or 
                                           (resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12) or 
                                           (resid    42 and name     HG1) or 
                                           (resid    42 and name     HG2))      2.986 2.986 0.747 ! 3.04372 D-0814-1753 D-0813-1753 D-0815-1753 D-0816-1753 

assign ((resid     5 and name    HG2#))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12))      4.555 4.555 1.139 ! 3.09621 D-0819-1754 D-0820-1754 

assign ((resid     5 and name    HG2#))   ((resid    13 and name    HG2#))      3.896 3.896 0.974 ! 3.901 C-1312-1765 

assign ((resid     5 and name      HN))   ((resid    13 and name      HB))      3.727 0.932 0.932 ! 5.456 A-0216-0273 

assign ((resid     5 and name    HG2#))   ((resid    14 and name      HA))      4.939 4.939 1.235 ! 4.37 C-1404-1762 

assign ((resid     5 and name    HG2#))   ((resid    14 and name      HA))      4.881 4.881 1.220 ! 4.37 C-1413-1866 

assign ((resid     5 and name      HN))   ((resid    14 and name      HA))      3.783 0.946 0.946 ! 3.537 A-0215-0270 

assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid    15 and name     HB*))      2.864 2.864 0.716 ! 2.2096 D-0338-0885 D-0337-0885 

assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid    15 and name     HB*))      2.958 2.958 0.740 ! 3.61543 D-0652-1440 D-0651-1440 

assign ((resid     5 and name    HG2#))   ((resid    15 and name     HB*))      4.045 4.045 1.011 ! 3.094 C-0718-0890 

assign ((resid     5 and name    HG2#))   ((resid    15 and name    HD1#) or 
                                           (resid    15 and name    HD2#) or 
                                           (resid    43 and name     HD*))      2.515 2.515 0.629 ! 1.92636 D-0811-1757 D-0812-1757 

assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid    16 and name      HA))      3.751 3.751 0.938 ! 3.82302 D-1150-2948 D-1149-2948 

assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid    17 and name      HA))      2.038 2.038 0.509 ! 2.41395 D-0650-1452 D-0649-1452 

!assign ((resid     5 and name    HG1#) or 
!        (resid    17 and name    HG1#))   ((resid    17 and name      HB))      2.009 2.009 0.502 ! 2.10196 D-0698-1453 D-0697-1453 

!*****assign ((resid     5 and name    HG1#) or 
!*****        (resid    17 and name    HG1#))   ((resid    17 and name    HG1#) or 
!*****                                           (resid     5 and name    HG1#))        0.772 0.772 0.193  ! 6.762 D-0657-1444 D-0658-1444 

!assign ((resid     5 and name    HG1#) or 
!        (resid    17 and name    HG1#))   ((resid    17 and name    HG2#))      1.955 1.955 0.489 ! 2.10482 D-0694-1449 D-0693-1449 

!assign ((resid     5 and name    HG2#))   ((resid    17 and name    HG2#))       4.263 1.066 1.066  ! 5.393 C-1403-1763 

assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid    21 and name     HB1) or 
                                           (resid    52 and name     HB2))      4.794 4.794 1.198 ! 4.21937 D-0846-1894 D-0845-1894 D-0847-1894 

assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid    21 and name     HB2))      4.619 4.619 1.155 ! 3.97648 D-0656-1448 D-0655-1448 

assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      3.252 3.252 0.813 ! 2.31142 D-0096-0398 D-0095-0398 

assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      2.991 2.991 0.748 ! 2.47372 D-0654-1445 D-0653-1445 

assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      3.109 3.109 0.777 ! 2.47372 D-0710-1581 D-0709-1581 

assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid    29 and name     HG1) or 
                                           (resid    29 and name     HG2))      4.213 4.213 1.053 ! 4.1127 D-0313-0863 D-0312-0863 

assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid    29 and name     HG1) or 
                                           (resid    29 and name     HG2))      3.966 3.966 0.992 ! 4.1127 D-0648-1439 D-0647-1439 

assign ((resid     5 and name      HB))   ((resid    30 and name    HD1#))      3.863 3.863 0.966 ! 3.87 C-2040-2574 

assign ((resid     5 and name      HB))   ((resid    30 and name    HD1#))      4.101 4.101 1.025 ! 3.87 C-2296-2924 

assign ((resid     5 and name    HG2#))   ((resid    30 and name      HB))      4.910 4.910 1.228 ! 5.206 C-1395-1768 

assign ((resid     5 and name    HG2#))   ((resid    30 and name    HD1#))      2.290 2.290 0.573 ! 2.28 C-1402-1769 

assign ((resid     5 and name    HG2#))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      4.230 4.230 1.058 ! 2.85182 C-0217-0202 

assign ((resid     5 and name      HA))   ((resid    43 and name     HD*))      4.730 4.730 1.183 ! 4.53 C-0940-1209 

assign ((resid     5 and name      HA))   ((resid    66 and name      HA))      3.765 0.941 0.941 ! 4.15 C-1315-1781 

assign ((resid     5 and name      HA))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      3.363 3.363 0.841 ! 3.41429 D-0759-1606 D-0758-1606 

assign ((resid     5 and name      HA))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      3.367 3.367 0.842 ! 3.41429 D-0878-2088 D-0877-2088 

assign ((resid     5 and name      HA))   ((resid    67 and name      HA) or 
                                           (resid    71 and name      HA))      4.528 4.528 1.132 ! 4.85051 D-0885-2092 D-0886-2092 

assign ((resid     5 and name      HA))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2))      2.762 2.762 0.691 ! 2.91114 C-1566-2086 

assign ((resid     5 and name      HA))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2) or 
                                           (resid    69 and name     HB1))      3.235 3.235 0.809 ! 2.90065 D-0597-1338 D-0598-1338 

assign ((resid     5 and name      HA))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      4.425 4.425 1.106 ! 4.08318 C-0881-1121 

!assign ((resid     5 and name      HA))   ((resid    67 and name    HD1#) or 
!                                           (resid    67 and name    HD2#))        3.879 3.879 0.970  ! 4.08318 D-0881-2084 D-0882-2084 D-0884-2084 D-0883-2084 

assign ((resid     5 and name      HA))   ((resid    67 and name      HG))      4.438 1.109 1.109 ! 3.806 C-0379-0455 

assign ((resid     5 and name      HA))   ((resid    67 and name      HN))      3.032 0.758 0.758 ! 2.679 A-0513-0606 

assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid    67 and name      HA) or 
                                           (resid    71 and name      HA))      4.950 4.950 1.238 ! 5.02641 D-1214-3139 D-1215-3139 D-1213-3139 

assign ((resid     5 and name    HG1#))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2) or 
                                           (resid    69 and name     HB1))      2.450 2.450 0.613 ! 2.42062 D-0619-1332 D-0620-1332 

assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2) or 
                                           (resid    69 and name     HB1))      2.493 2.493 0.623 ! 2.41983 D-0677-1442 D-0678-1442 D-0675-1442 D-0676-1442 

assign ((resid     5 and name    HG2#))   ((resid    67 and name      HA))      4.643 4.643 1.161 ! 5.18 C-1405-1773 

assign ((resid     5 and name    HG2#))   ((resid    67 and name      HA) or 
                                           (resid    71 and name      HA))      4.976 4.976 1.244 ! 5.16349 D-1201-3143 D-1202-3143 

assign ((resid     5 and name    HG2#))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2) or 
                                           (resid    69 and name     HB1))      2.700 2.700 0.675 ! 2.68355 D-0599-1336 D-0600-1336 

assign ((resid     5 and name    HG2#))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      2.467 2.467 0.617 ! 2.77875 D-0823-1755 D-0822-1755 D-0824-1755 D-0821-1755 

assign ((resid     5 and name    HG2#))   ((resid    67 and name      HG))      3.779 3.779 0.945 ! 2.934 C-0381-0454 

assign ((resid     5 and name    HG2#))   ((resid    67 and name      HG))      3.486 3.486 0.872 ! 2.934 C-1397-1752 

assign ((resid     5 and name    HG2#))   ((resid    67 and name      HN))      3.965 3.965 0.991 ! 3.517 A-0509-0605 

assign ((resid     5 and name      HA))   ((resid    69 and name     HB2))      4.361 1.090 1.090 ! 4.941 C-1568-2085 

assign ((resid     5 and name    HG1#))   ((resid    69 and name      HA))      3.630 3.630 0.907 ! 3.875 C-1103-1458 

assign ((resid     5 and name    HG1#))   ((resid    69 and name      HA))      3.472 3.472 0.868 ! 3.875 C-2432-3168 

assign ((resid     5 and name    HG1#))   ((resid    69 and name     HB2))      2.488 2.488 0.622 ! 2.176 C-1042-1333 

assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid    69 and name     HB2))      2.389 2.389 0.597 ! 2.17595 D-0674-1443 D-0673-1443 

assign ((resid     5 and name    HG1#) or 
        (resid    17 and name    HG1#))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.713 2.713 0.678 ! 2.5682 D-0682-1441 D-0681-1441 

assign ((resid     5 and name    HG1#))   ((resid    69 and name      HG))      3.491 3.491 0.873 ! 4.394 C-0598-0670 

assign ((resid     5 and name    HG1#))   ((resid    69 and name      HG))      3.422 3.422 0.856 ! 4.394 C-1104-1437 

assign ((resid     5 and name    HG1#))   ((resid    69 and name      HN))      3.386 3.386 0.847 ! 3.259 A-0054-0062 

!assign ((resid     6 and name      HA))   ((resid     6 and name     HB*))      2.879 2.879 0.720 ! 3.016 C-2107-2711 

!assign ((resid     6 and name      HA))   ((resid     6 and name     HB*))      2.826 2.826 0.707 ! 2.477 C-2101-2710 

!**assign ((resid     6 and name      HA))   ((resid     6 and name     HD1) or 
!**                                           (resid     6 and name     HD2))        3.557 3.557 0.889  ! 4.00413 C-0410-0474 

assign ((resid     6 and name      HA))   ((resid     6 and name     HE1) or 
                                           (resid     6 and name     HE2))      4.226 4.226 1.056 ! 4.77226 C-1298-1726 

assign ((resid     6 and name      HA))   ((resid     6 and name     HG1) or 
                                           (resid     6 and name     HG2))      3.439 3.439 0.860 ! 2.53574 C-0835-1081 

assign ((resid     6 and name      HA))   ((resid     6 and name     HG1) or 
                                           (resid     6 and name     HG2) or 
                                           (resid    11 and name     HG1) or 
                                           (resid    11 and name     HG2))      3.305 3.305 0.826 ! 2.53139 D-0365-1082 D-0364-1082 

assign ((resid     6 and name      HA))   ((resid     6 and name      HN))      3.190 0.797 0.797 ! 2.985 A-0501-0594 

!assign ((resid     6 and name     HB*))   ((resid     6 and name      HA))      2.722 2.722 0.680 ! 3.016 C-2323-2970 

!*******assign ((resid     6 and name     HB1))   ((resid     6 and name     HB2))       1.799 0.450 0.450  ! 1.764 C-2097-2707 

assign ((resid     6 and name     HB*))   ((resid     6 and name     HD1) or 
                                           (resid     6 and name     HD2))      2.806 2.806 0.702 ! 2.38262 C-0412-0473 

assign ((resid     6 and name     HB*))   ((resid     6 and name     HE1) or 
                                           (resid     6 and name     HE2))      3.801 3.801 0.950 ! 4.03525 C-1296-1725 

!assign ((resid     6 and name     HB*))   ((resid     6 and name     HG1) or 
!                                           (resid     6 and name     HG2))      2.428 2.428 0.607 ! 2.32428 C-0839-1078 

!assign ((resid     6 and name     HB*))   ((resid     6 and name     HG1) or 
!                                           (resid     6 and name     HG2) or 
!                                           (resid    11 and name     HG1) or 
!                                           (resid    11 and name     HG2))      2.390 2.390 0.598 ! 2.32407 D-0371-1080 D-0370-1080 

assign ((resid     6 and name     HB*))   ((resid     6 and name      HN))      2.962 2.962 0.741 ! 2.467 A-0497-0592 

!assign ((resid     6 and name     HB*))   ((resid     6 and name      HA))      2.719 2.719 0.680 ! 2.477 C-2322-2969 

! Disjoint fromNOElist {6 HB*}
! Disjoint toNOElist {6 HB*}
!assign ((resid     6 and name     HB*))   ((resid     6 and name     HB*))      1.880 1.880 0.470 ! 1.764 C-2103-2708 

assign ((resid     6 and name     HB*))   ((resid     6 and name     HD1) or 
                                           (resid     6 and name     HD2))      3.187 3.187 0.797 ! 2.2439 C-0414-0472 

assign ((resid     6 and name     HB*))   ((resid     6 and name     HE1) or 
                                           (resid     6 and name     HE2))      3.847 3.847 0.962 ! 3.87774 C-1297-1724 

!assign ((resid     6 and name     HB*))   ((resid     6 and name     HG1) or 
!                                           (resid     6 and name     HG2))      2.764 2.764 0.691 ! 2.36069 C-0836-1077 

!assign ((resid     6 and name     HB*))   ((resid     6 and name     HG1) or 
!                                           (resid     6 and name     HG2) or 
!                                           (resid    11 and name     HG1) or 
!                                           (resid    11 and name     HG2))      2.809 2.809 0.702 ! 2.3603 D-0373-1079 D-0372-1079 

assign ((resid     6 and name     HB*))   ((resid     6 and name      HN))      3.237 3.237 0.809 ! 2.702 A-0499-0591 

assign ((resid     6 and name     HD1) or 
        (resid     6 and name     HD2))   ((resid     6 and name      HA))      3.172 3.172 0.793 ! 4.00413 C-2319-2959 

assign ((resid     6 and name     HD1) or 
        (resid     6 and name     HD2))   ((resid     6 and name     HB*))      2.616 2.616 0.654 ! 2.38262 C-2108-2691 

assign ((resid     6 and name     HD1) or 
        (resid     6 and name     HD2))   ((resid     6 and name     HB*))      2.792 2.792 0.698 ! 2.2439 C-2202-2690 

!assign ((resid     6 and name     HD1) or 
!        (resid     6 and name     HD2))   ((resid     6 and name     HG1) or 
!                                           (resid     6 and name     HG2))      1.852 1.852 0.463 ! 2.10735 C-0837-1064 

assign ((resid     6 and name     HE1) or 
        (resid     6 and name     HE2) or 
        (resid    11 and name     HE1) or 
        (resid    11 and name     HE2))   ((resid     6 and name      HA))      4.538 4.538 1.135 ! 4.74267 D-1174-2965 D-1175-2965 

assign ((resid     6 and name     HE1) or 
        (resid     6 and name     HE2))   ((resid     6 and name     HB*))      4.278 4.278 1.069 ! 4.03525 C-2104-2702 

assign ((resid     6 and name     HE1) or 
        (resid     6 and name     HE2) or 
        (resid    11 and name     HE1) or 
        (resid    11 and name     HE2))   ((resid     6 and name     HB*))      3.871 3.871 0.968 ! 3.8759 D-1060-2701 D-1061-2701 

!assign ((resid     6 and name     HE1) or 
!        (resid     6 and name     HE2))   ((resid     6 and name     HD1) or 
!                                           (resid     6 and name     HD2))      2.536 2.536 0.634 ! 2.08355 C-0411-0470 

assign ((resid     6 and name     HE1) or 
        (resid     6 and name     HE2))   ((resid     6 and name     HG1) or 
                                           (resid     6 and name     HG2))      3.312 3.312 0.828 ! 2.23937 C-0840-1073 

assign ((resid     6 and name     HE1) or 
        (resid     6 and name     HE2) or 
        (resid    11 and name     HE1) or 
        (resid    11 and name     HE2))   ((resid     6 and name     HG1) or 
                                           (resid     6 and name     HG2) or 
                                           (resid    11 and name     HG1) or 
                                           (resid    11 and name     HG2))      2.672 2.672 0.668 ! 2.07294 D-0382-1072 D-0380-1072 D-0383-1072 D-0381-1072 

assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2))   ((resid     6 and name      HA))      3.190 3.190 0.797 ! 2.53574 C-2316-2961 

assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2) or 
        (resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid     6 and name      HA))      3.131 3.131 0.783 ! 2.53139 D-1173-2962 D-1172-2962 

!assign ((resid     6 and name     HG1) or 
!        (resid     6 and name     HG2))   ((resid     6 and name     HB*))      2.294 2.294 0.574 ! 2.32428 C-2105-2695 

!assign ((resid     6 and name     HG1) or 
!        (resid     6 and name     HG2))   ((resid     6 and name     HB*))      2.286 2.286 0.572 ! 2.32428 C-2106-2696 

!assign ((resid     6 and name     HG1) or 
!        (resid     6 and name     HG2))   ((resid     6 and name     HB*))      2.358 2.358 0.590 ! 2.36069 C-2099-2693 

!assign ((resid     6 and name     HG1) or 
!        (resid     6 and name     HG2))   ((resid     6 and name     HB*))      2.701 2.701 0.675 ! 2.36069 C-2100-2694 

!assign ((resid     6 and name     HG1) or 
!        (resid     6 and name     HG2))   ((resid     6 and name     HD1) or 
!                                           (resid     6 and name     HD2))      1.854 1.854 0.464 ! 2.10735 C-0409-0466 

!assign ((resid     6 and name     HG1) or 
!        (resid     6 and name     HG2) or 
!        (resid    11 and name     HG1) or 
!        (resid    11 and name     HG2))   ((resid     6 and name     HD1) or 
!                                           (resid     6 and name     HD2))      2.493 2.493 0.623 ! 2.10723 D-0114-0467 D-0113-0467 

assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2))   ((resid     6 and name     HE1) or 
                                           (resid     6 and name     HE2) or 
                                           (resid    11 and name     HE1) or 
                                           (resid    11 and name     HE2))      2.847 2.847 0.712 ! 2.23926 D-0791-1706 D-0792-1706 

assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2) or 
        (resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid     6 and name     HE1) or 
                                           (resid     6 and name     HE2) or 
                                           (resid    11 and name     HE1) or 
                                           (resid    11 and name     HE2))      2.750 2.750 0.688 ! 2.07294 D-0786-1707 D-0788-1707 D-0785-1707 D-0787-1707 

!*******assign ((resid     6 and name     HG1) or 
!*******        (resid     6 and name     HG2) or 
!*******        (resid    11 and name     HG1) or 
!*******        (resid    11 and name     HG2))   ((resid     6 and name     HG2) or 
!*******                                           (resid     6 and name     HG1))        1.963 1.963 0.491  ! 1.76384 D-0361-1067 D-0360-1067 

assign ((resid     6 and name      HA))   ((resid     7 and name      HA))      4.560 1.140 1.140 ! 4.402 C-2315-2968 

assign ((resid     6 and name      HA))   ((resid     7 and name    HG2#))      3.515 3.515 0.879 ! 3.571 C-1239-1636 

assign ((resid     6 and name      HA))   ((resid     7 and name      HN))      1.939 0.485 0.485 ! 2.194 A-0391-0463 

assign ((resid     6 and name     HB*))   ((resid     7 and name      HN))      4.201 4.201 1.050 ! 4.239 A-0386-0462 

assign ((resid     6 and name     HB*))   ((resid     7 and name      HN))      3.793 3.793 0.948 ! 4.359 A-0385-0461 

assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2))   ((resid     7 and name      HN))      4.395 4.395 1.099 ! 3.08323 A-0373-0465 

assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2) or 
        (resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid     7 and name      HN))      4.459 4.459 1.115 ! 3.04826 B-0149-0466 B-0148-0466 

assign ((resid     6 and name     HD1) or 
        (resid     6 and name     HD2))   ((resid    10 and name     HA*))      4.697 4.697 1.174 ! 7.08905 C-0889-1149 

assign ((resid     6 and name     HD1) or 
        (resid     6 and name     HD2))   ((resid    10 and name     HA*))      4.494 4.494 1.123 ! 5.56792 C-0906-1150 

assign ((resid     6 and name     HE1) or 
        (resid     6 and name     HE2))   ((resid    10 and name     HA*))      4.127 4.127 1.032 ! 5.38446 C-0888-1155 

assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2))   ((resid    10 and name     HA*))      4.835 4.835 1.209 ! 3.84557 C-0907-1151 

assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2) or 
        (resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid    10 and name     HA*))      4.617 4.617 1.154 ! 3.80963 D-0474-1152 D-0473-1152 

assign ((resid     6 and name     HE1) or 
        (resid     6 and name     HE2) or 
        (resid    11 and name     HE1) or 
        (resid    11 and name     HE2))   ((resid    11 and name      HA))      4.586 4.586 1.147 ! 4.65319 D-0805-1711 D-0806-1711 

assign ((resid     6 and name     HE1) or 
        (resid     6 and name     HE2) or 
        (resid    11 and name     HE1) or 
        (resid    11 and name     HE2))   ((resid    11 and name      HA))      4.741 4.741 1.185 ! 4.65319 D-1049-2620 D-1050-2620 

assign ((resid     6 and name     HE1) or 
        (resid     6 and name     HE2) or 
        (resid    11 and name     HE1) or 
        (resid    11 and name     HE2))   ((resid    11 and name     HB*))      4.033 4.033 1.008 ! 4.12571 D-1277-3156 D-1278-3156 

assign ((resid     6 and name     HE1) or 
        (resid     6 and name     HE2) or 
        (resid    11 and name     HE1) or 
        (resid    11 and name     HE2))   ((resid    11 and name     HB*))      4.248 4.248 1.062 ! 3.64786 D-1275-3155 D-1276-3155 

!assign ((resid     6 and name     HE1) or 
!        (resid     6 and name     HE2) or 
!        (resid    11 and name     HE1) or 
!        (resid    11 and name     HE2))   ((resid    11 and name     HD1) or 
!                                           (resid    11 and name     HD2))      2.359 2.359 0.590 ! 2.08573 D-0109-0484 D-0110-0484 

!assign ((resid     6 and name     HE1) or 
!        (resid     6 and name     HE2) or 
!        (resid    11 and name     HE1) or 
!        (resid    11 and name     HE2))   ((resid    11 and name     HD1) or 
!                                           (resid    11 and name     HD2))      2.225 2.225 0.556 ! 2.08573 D-0783-1703 D-0784-1703 

!*****assign ((resid     6 and name     HE1) or 
!*****        (resid     6 and name     HE2) or 
!*****        (resid    11 and name     HE1) or 
!*****        (resid    11 and name     HE2))   ((resid    11 and name     HE1) or 
!*****                                           (resid    11 and name     HE2) or 
!*****                                           (resid     6 and name     HE1) or 
!*****                                           (resid     6 and name     HE2))        0.684 0.684 0.171  ! 10.1264 D-0780-1709 D-0779-1709 

assign ((resid     6 and name     HE1) or 
        (resid     6 and name     HE2) or 
        (resid    11 and name     HE1) or 
        (resid    11 and name     HE2))   ((resid    11 and name     HG1) or 
                                           (resid    11 and name     HG2))      3.148 3.148 0.787 ! 2.44584 D-0362-1088 D-0363-1088 

!**assign ((resid     6 and name     HG1) or 
!**        (resid     6 and name     HG2) or 
!**        (resid    11 and name     HG1) or 
!**        (resid    11 and name     HG2))   ((resid    11 and name      HA))        3.359 3.359 0.840  ! 2.42032 D-0379-1076 D-0378-1076 

!assign ((resid     6 and name     HG1) or 
!        (resid     6 and name     HG2) or 
!        (resid    11 and name     HG1) or 
!        (resid    11 and name     HG2))   ((resid    11 and name     HB*))      2.795 2.795 0.699 ! 2.38031 D-0385-1083 D-0384-1083 

!assign ((resid     6 and name     HG1) or 
!        (resid     6 and name     HG2) or 
!        (resid    11 and name     HG1) or 
!        (resid    11 and name     HG2))   ((resid    11 and name     HB*))      3.112 3.112 0.778 ! 2.38031 D-1280-3151 D-1279-3151 

!assign ((resid     6 and name     HG1) or 
!        (resid     6 and name     HG2) or 
!        (resid    11 and name     HG1) or 
!        (resid    11 and name     HG2))   ((resid    11 and name     HB*))      3.112 3.112 0.778 ! 2.37592 D-1274-3150 D-1273-3150 

!*****assign ((resid     6 and name     HG1) or 
!*****        (resid     6 and name     HG2) or 
!*****        (resid    11 and name     HG1) or 
!*****        (resid    11 and name     HG2))   ((resid    11 and name     HG1) or 
!*****                                           (resid    11 and name     HG2) or 
!*****                                           (resid     6 and name     HG1) or 
!*****                                           (resid     6 and name     HG2))        1.123 1.123 0.281  ! 6.18582 D-0376-1068 D-0377-1068 

assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2) or 
        (resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid    11 and name      HN))      4.325 4.325 1.081 ! 3.85249 B-0075-0211 B-0076-0211 

assign ((resid     6 and name      HA))   ((resid    12 and name      HA))      2.117 0.529 0.529 ! 2.292 C-1323-1750 

assign ((resid     6 and name      HA))   ((resid    12 and name      HA))      2.094 0.523 0.523 ! 2.292 C-2318-2966 

assign ((resid     6 and name      HA))   ((resid    12 and name      HB))      4.825 1.206 1.206 ! 4.606 C-0442-0522 

assign ((resid     6 and name      HA))   ((resid    12 and name      HB))      4.748 1.187 1.187 ! 4.606 C-2321-2960 

assign ((resid     6 and name      HA))   ((resid    12 and name    HG2#))      3.154 3.154 0.788 ! 3.071 C-1147-1527 

assign ((resid     6 and name      HA))   ((resid    12 and name    HG2#))      3.080 3.080 0.770 ! 3.071 C-2317-2964 

assign ((resid     6 and name     HB*))   ((resid    12 and name      HA))      4.452 4.452 1.113 ! 5.259 C-2109-2704 

assign ((resid     6 and name     HB*))   ((resid    12 and name    HG2#))      3.863 3.863 0.966 ! 4.546 C-1155-1524 

assign ((resid     6 and name     HB*))   ((resid    12 and name      HA))      4.602 4.602 1.151 ! 4.295 C-1330-1749 

assign ((resid     6 and name     HB*))   ((resid    12 and name      HA))      4.743 4.743 1.186 ! 4.295 C-2098-2703 

assign ((resid     6 and name     HD1) or 
        (resid     6 and name     HD2))   ((resid    12 and name      HA))      4.275 4.275 1.069 ! 5.56407 C-0408-0471 

assign ((resid     6 and name     HD1) or 
        (resid     6 and name     HD2))   ((resid    12 and name      HA))      3.744 3.744 0.936 ! 5.56407 C-1326-1739 

assign ((resid     6 and name     HD1) or 
        (resid     6 and name     HD2))   ((resid    12 and name    HG2#))      4.103 4.103 1.026 ! 4.24103 C-0413-0468 

assign ((resid     6 and name     HD1) or 
        (resid     6 and name     HD2))   ((resid    12 and name    HG2#))      3.404 3.404 0.851 ! 4.24103 C-1152-1513 

assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2))   ((resid    12 and name      HA))      4.236 4.236 1.059 ! 3.93848 C-0838-1074 

assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2))   ((resid    12 and name      HA))      3.816 3.816 0.954 ! 3.93848 C-1322-1742 

assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2) or 
        (resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid    12 and name      HA))      4.086 4.086 1.022 ! 3.35981 D-0375-1075 D-0374-1075 

assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2) or 
        (resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid    12 and name      HA))      4.046 4.046 1.012 ! 3.35981 D-0796-1743 D-0795-1743 

assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2) or 
        (resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid    12 and name      HB))      4.891 4.891 1.223 ! 4.30196 D-0120-0516 D-0119-0516 

assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2))   ((resid    12 and name    HG2#))      3.697 3.697 0.924 ! 3.87092 C-1151-1516 

assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2) or 
        (resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid    12 and name    HG2#))      3.772 3.772 0.943 ! 3.72294 D-0691-1517 D-0690-1517 

assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2) or 
        (resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid    12 and name      HN))      3.727 3.727 0.932 ! 2.48547 B-0104-0288 B-0103-0288 

assign ((resid     6 and name      HA))   ((resid    13 and name      HN))      3.750 0.938 0.938 ! 3.621 A-0502-0607 

assign ((resid     6 and name     HE1) or 
        (resid     6 and name     HE2) or 
        (resid    11 and name     HE1) or 
        (resid    11 and name     HE2))   ((resid    13 and name    HD1#))      4.157 4.157 1.039 ! 5.17936 D-1072-2658 D-1073-2658 

assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2) or 
        (resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid    13 and name    HD1#))      4.590 4.590 1.147 ! 5.07704 D-1069-2653 D-1068-2653 

assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2) or 
        (resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid    13 and name    HG2#))      4.598 4.598 1.149 ! 2.70184 D-1000-2236 D-0999-2236 

assign ((resid     6 and name     HB*))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      2.640 2.640 0.660 ! 2.91942 D-0771-1609 D-0770-1609 

assign ((resid     6 and name     HB*))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      2.872 2.872 0.718 ! 2.91942 D-1067-2700 D-1066-2700 

assign ((resid     6 and name     HB*))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      3.140 3.140 0.785 ! 2.40294 D-0767-1608 D-0766-1608 

assign ((resid     6 and name     HB*))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      3.181 3.181 0.795 ! 2.40294 D-1063-2699 D-1062-2699 

assign ((resid     6 and name     HD1) or 
        (resid     6 and name     HD2))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      2.909 2.909 0.727 ! 2.71988 D-0112-0469 D-0111-0469 

assign ((resid     6 and name     HD1) or 
        (resid     6 and name     HD2))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      2.568 2.568 0.642 ! 2.71988 D-0755-1591 D-0754-1591 

assign ((resid     6 and name     HE1) or 
        (resid     6 and name     HE2))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      2.747 2.747 0.687 ! 4.51058 D-0769-1602 D-0768-1602 

assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      3.481 3.481 0.870 ! 3.90738 D-0359-1070 D-0358-1070 

assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2) or 
        (resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      3.134 3.134 0.783 ! 3.89709 D-0369-1071 D-0368-1071 D-0367-1071 D-0366-1071 

assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      3.222 3.222 0.805 ! 3.90738 D-0757-1597 D-0756-1597 

assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2) or 
        (resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      2.883 2.883 0.721 ! 3.89709 D-0753-1598 D-0751-1598 D-0752-1598 D-0750-1598 

assign ((resid     6 and name      HN))   ((resid    66 and name    HG2#))      3.383 3.383 0.846 ! 2.796 A-0495-0596 

!assign ((resid     6 and name     HG1) or 
!        (resid     6 and name     HG2))   ((resid    67 and name    HD1#) or 
!                                           (resid    67 and name    HD2#))        3.462 3.462 0.866  ! 7.42884 D-0357-1069 D-0356-1069 

assign ((resid     6 and name     HB*))   ((resid    68 and name     HE1))      4.891 4.891 1.223 ! 3.949 C-2522-10075 

assign ((resid     6 and name     HG1) or 
        (resid     6 and name     HG2))   ((resid    68 and name      HA))      4.579 4.579 1.145 ! 4.48368 C-2263-2900 

assign ((resid     6 and name      HN))   ((resid    68 and name      HA))      2.970 0.743 0.743 ! 2.956 A-0500-0593 

!**assign ((resid     6 and name     HB2))   ((resid    69 and name     HB1))       4.414 1.103 1.103  ! 6.78 C-2096-2697 

!assign ((resid     7 and name      HA))   ((resid     7 and name      HB))      2.012 0.503 0.503 ! 2.447 C-0396-0479 

assign ((resid     7 and name      HA))   ((resid     7 and name    HG2#))      2.205 2.205 0.551 ! 2.628 C-1235-1629 

assign ((resid     7 and name      HA))   ((resid     7 and name      HN))      3.035 0.759 0.759 ! 2.961 A-0390-0469 

!assign ((resid     7 and name      HB))   ((resid     7 and name      HA))      1.988 0.497 0.497 ! 2.447 C-1619-2093 

!*****assign ((resid     7 and name      HB))   ((resid     7 and name    HG2#))       1.871 0.468 0.468  ! 2.145 C-1236-1615 

assign ((resid     7 and name      HB))   ((resid     7 and name      HN))      4.129 1.032 1.032 ! 3.76 A-0389-0464 

assign ((resid     7 and name    HG2#))   ((resid     7 and name      HA))      2.262 2.262 0.566 ! 2.628 C-1618-2101 

!*****assign ((resid     7 and name    HG2#))   ((resid     7 and name      HB))       1.914 0.478 0.478  ! 2.145 C-0395-0478 

assign ((resid     7 and name    HG2#))   ((resid     7 and name      HN))      2.326 2.326 0.582 ! 2.343 A-0388-0468 

assign ((resid     7 and name      HA))   ((resid     8 and name      HA))      4.186 1.046 1.046 ! 4.344 C-1617-2102 

assign ((resid     7 and name      HA))   ((resid     8 and name      HA))      4.678 1.169 1.169 ! 4.344 C-1954-2493 

assign ((resid     7 and name      HA))   ((resid     8 and name      HG))      4.725 1.181 1.181 ! 4.082 C-1622-2095 

assign ((resid     7 and name      HA))   ((resid     8 and name      HN))      2.454 0.614 0.614 ! 2.522 A-0190-0240 

assign ((resid     7 and name      HB))   ((resid     8 and name      HA))      4.590 1.147 1.147 ! 5.06 C-0394-0480 

assign ((resid     7 and name      HB))   ((resid     8 and name      HN))      2.386 0.597 0.597 ! 2.5 A-0191-0233 

assign ((resid     7 and name    HG2#))   ((resid     8 and name      HN))      3.444 3.444 0.861 ! 3.988 A-0188-0239 

assign ((resid     7 and name      HA))   ((resid     9 and name      HN))      4.306 1.077 1.077 ! 4.173 A-0002-0007 

assign ((resid     7 and name      HB))   ((resid     9 and name      HN))      3.309 0.827 0.827 ! 3.186 A-0003-0001 

assign ((resid     7 and name      HB))   ((resid    11 and name     HB*))      4.710 4.710 1.177 ! 5.95 C-0398-0481 

assign ((resid     7 and name    HG2#))   ((resid    11 and name      HA))      4.920 4.920 1.230 ! 4.877 C-1232-1633 

assign ((resid     7 and name    HG2#))   ((resid    11 and name     HB*))      2.756 2.756 0.689 ! 4.339 C-1244-1637 

assign ((resid     7 and name    HG2#))   ((resid    11 and name     HD1) or 
                                           (resid    11 and name     HD2))      3.871 3.871 0.968 ! 3.40008 C-0404-0483 

assign ((resid     7 and name    HG2#))   ((resid    11 and name     HD1) or 
                                           (resid    11 and name     HD2))      3.343 3.343 0.836 ! 3.40008 C-1237-1616 

assign ((resid     7 and name    HG2#))   ((resid    11 and name     HG1) or 
                                           (resid    11 and name     HG2))      4.352 4.352 1.088 ! 3.51749 C-1242-1620 

assign ((resid     7 and name    HG2#))   ((resid    11 and name      HN))      3.779 3.779 0.945 ! 3.903 A-0174-0213 

assign ((resid     7 and name    HG2#))   ((resid    12 and name      HA))      4.052 4.052 1.013 ! 3.428 C-1231-1626 

assign ((resid     7 and name      HN))   ((resid    12 and name      HA))      3.587 0.897 0.897 ! 3.086 A-0387-0467 

assign ((resid     7 and name    HG2#))   ((resid    13 and name    HD1#))      2.373 2.373 0.593 ! 4.06 C-1233-1635 

assign ((resid     7 and name    HG2#))   ((resid    13 and name    HD1#))      2.460 2.460 0.615 ! 4.06 C-2115-2656 

assign ((resid     7 and name    HG2#))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12))      3.453 3.453 0.863 ! 4.4561 D-0257-0780 D-0258-0780 

assign ((resid     7 and name    HG2#))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    15 and name      HG))      3.520 3.520 0.880 ! 4.86946 D-0186-0797 D-0185-0797 

assign ((resid     7 and name    HG2#))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    15 and name      HG) or 
                                           (resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12) or 
                                           (resid    42 and name     HG1) or 
                                           (resid    42 and name     HG2))      3.404 3.404 0.851 ! 4.4358 D-0722-1617 D-0721-1617 D-0723-1617 D-0724-1617 

assign ((resid     7 and name    HG2#))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12))      3.444 3.444 0.861 ! 4.4561 D-0725-1618 D-0726-1618 

!**assign ((resid     7 and name    HG2#))   ((resid    13 and name    HG2#))       3.196 0.799 0.799  ! 2.493 C-1238-1630 

!**assign ((resid     7 and name    HG2#))   ((resid    13 and name    HG2#))       3.276 0.819 0.819  ! 2.493 C-1722-2239 

assign ((resid     7 and name    HG2#))   ((resid    30 and name    HD1#))      4.937 4.937 1.234 ! 4.816 C-1240-1632 

assign ((resid     7 and name    HG2#))   ((resid    30 and name    HG2#))      4.364 4.364 1.091 ! 4.333 C-1241-1631 

assign ((resid     7 and name    HG2#))   ((resid    34 and name     HG1) or 
                                           (resid    34 and name     HG2))      3.824 3.824 0.956 ! 4.09695 C-1245-1634 

assign ((resid     7 and name    HG2#))   ((resid    36 and name    HD1#))      3.704 3.704 0.926 ! 3.293 C-2305-2890 

!assign ((resid     7 and name    HG2#))   ((resid    41 and name     HG1) or 
!                                           (resid    41 and name     HG2))        4.094 4.094 1.024  ! 6.2387 C-2418-3075 

assign ((resid     7 and name      HA))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2) or 
                                           (resid    69 and name     HB1))      2.894 2.894 0.724 ! 2.58904 D-0577-1339 D-0578-1339 

assign ((resid     7 and name      HA))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2) or 
                                           (resid    69 and name     HB1))      2.863 2.863 0.716 ! 2.58904 D-0891-2098 D-0892-2098 

assign ((resid     7 and name      HB))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2) or 
                                           (resid    69 and name     HB1))      4.339 4.339 1.085 ! 3.8189 D-0579-1321 D-0580-1321 

assign ((resid     7 and name    HG2#))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2) or 
                                           (resid    69 and name     HB1))      3.157 3.157 0.789 ! 2.73737 D-0727-1622 D-0728-1622 

assign ((resid     7 and name      HA))   ((resid    69 and name      HA))      4.657 1.164 1.164 ! 5.029 C-2433-3171 

assign ((resid     7 and name      HA))   ((resid    69 and name     HB2))      3.562 0.890 0.890 ! 4.299 C-0985-1340 

assign ((resid     7 and name      HA))   ((resid    69 and name     HB2))      3.510 0.877 0.877 ! 4.299 C-1621-2099 

assign ((resid     7 and name      HA))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      3.567 3.567 0.892 ! 3.67368 C-0754-0937 

assign ((resid     7 and name      HA))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      3.301 3.301 0.825 ! 3.67368 C-1620-2096 

assign ((resid     7 and name      HA))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      3.801 3.801 0.950 ! 3.6411 D-0889-2097 D-0890-2097 

assign ((resid     7 and name      HA))   ((resid    69 and name      HG))      4.328 1.082 1.082 ! 4.146 C-0599-0672 

assign ((resid     7 and name      HA))   ((resid    69 and name      HG))      4.355 1.089 1.089 ! 4.146 C-1564-2094 

assign ((resid     7 and name      HA))   ((resid    69 and name      HN))      3.546 0.886 0.886 ! 3.05 A-0055-0063 

assign ((resid     7 and name      HB))   ((resid    69 and name     HB1))      4.435 1.109 1.109 ! 3.823 C-0415-0477 

assign ((resid     7 and name      HB))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      3.606 3.606 0.901 ! 3.45964 C-0397-0475 

assign ((resid     7 and name      HB))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      3.896 3.896 0.974 ! 3.45964 C-0753-0930 

assign ((resid     7 and name      HB))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      4.588 4.588 1.147 ! 3.36056 D-0115-0476 D-0116-0476 

assign ((resid     7 and name    HG2#))   ((resid    69 and name     HB1))      3.589 3.589 0.897 ! 2.74 C-0980-1335 

assign ((resid     7 and name    HG2#))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.525 2.525 0.631 ! 2.32777 C-0750-0934 

assign ((resid     7 and name    HG2#))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.328 2.328 0.582 ! 2.32777 C-1234-1619 

!assign ((resid     8 and name      HA))   ((resid     8 and name     HB*))      2.475 2.475 0.619 ! 2.506 C-1311-1694 

!assign ((resid     8 and name      HA))   ((resid     8 and name     HB*))      2.704 2.704 0.676 ! 3.016 C-1303-1693 

assign ((resid     8 and name      HA))   ((resid     8 and name    HD1#) or 
                                           (resid     8 and name    HD2#))      3.166 3.166 0.791 ! 2.05272 C-0818-1025 

assign ((resid     8 and name      HA))   ((resid     8 and name    HD1#) or 
                                           (resid     8 and name    HD2#))      2.350 2.350 0.588 ! 2.05272 C-1014-1287 

assign ((resid     8 and name      HA))   ((resid     8 and name      HG))      3.316 0.829 0.829 ! 3.275 C-0605-0711 

assign ((resid     8 and name      HA))   ((resid     8 and name      HN))      2.864 0.716 0.716 ! 2.919 A-0192-0241 

!assign ((resid     8 and name     HB*))   ((resid     8 and name      HA))      2.360 2.360 0.590 ! 2.506 C-1953-2491 

!*****assign ((resid     8 and name     HB1))   ((resid     8 and name     HB2))       1.444 0.361 0.361  ! 1.763 C-1299-1689 

assign ((resid     8 and name     HB*))   ((resid     8 and name    HD1#) or 
                                           (resid     8 and name    HD2#))      2.773 2.773 0.693 ! 2.04677 C-1012-1285 

!**assign ((resid     8 and name     HB1))   ((resid     8 and name      HG))       2.090 0.522 0.522  ! 2.995 C-0607-0708 

assign ((resid     8 and name     HB*))   ((resid     8 and name      HN))      3.222 3.222 0.805 ! 3.579 A-0195-0238 

!assign ((resid     8 and name     HB*))   ((resid     8 and name      HA))      2.764 2.764 0.691 ! 3.016 C-1919-2490 

!*****assign ((resid     8 and name     HB2))   ((resid     8 and name     HB1))       1.533 0.383 0.383  ! 1.763 C-1307-1690 

assign ((resid     8 and name     HB*))   ((resid     8 and name    HD1#) or 
                                           (resid     8 and name    HD2#))      2.803 2.803 0.701 ! 2.4437 C-0822-1021 

assign ((resid     8 and name     HB*))   ((resid     8 and name      HN))      2.553 2.553 0.638 ! 2.343 A-0194-0237 

assign ((resid     8 and name    HD1#) or 
        (resid     8 and name    HD2#))   ((resid     8 and name      HA))      3.262 3.262 0.816 ! 2.05272 C-1951-2487 

assign ((resid     8 and name    HD1#) or 
        (resid     8 and name    HD2#))   ((resid     8 and name      HA))      2.419 2.419 0.605 ! 2.05272 C-1917-2488 

!**assign ((resid     8 and name    HD1#) or 
!**        (resid     8 and name    HD2#))   ((resid     8 and name     HB1))        3.101 3.101 0.775  ! 2.04677 C-1308-1685 

assign ((resid     8 and name    HD1#) or 
        (resid     8 and name    HD2#))   ((resid     8 and name     HB*))      2.723 2.723 0.681 ! 2.4437 C-1302-1682 

!**assign ((resid     8 and name    HD1#) or 
!**        (resid     8 and name    HD2#))   ((resid     8 and name     HB2))        3.280 3.280 0.820  ! 2.4437 C-1304-1684 

!*****assign ((resid     8 and name    HD1#) or 
!*****        (resid     8 and name    HD2#))   ((resid     8 and name    HD2#) or 
!*****                                           (resid     8 and name    HD1#))        1.817 1.817 0.454  ! 1.945 C-0820-1018 

!**assign ((resid     8 and name    HD1#) or 
!**        (resid     8 and name    HD2#))   ((resid     8 and name      HG))        3.439 3.439 0.860  ! 1.88392 C-0603-0706 

assign ((resid     8 and name    HD1#) or 
        (resid     8 and name    HD2#))   ((resid     8 and name      HN))      4.168 4.168 1.042 ! 3.15209 A-0187-0235 

assign ((resid     8 and name    HD1#) or 
        (resid     8 and name    HD2#))   ((resid     8 and name      HN))      4.184 4.184 1.046 ! 3.15209 A-0193-0236 

assign ((resid     8 and name      HG))   ((resid     8 and name      HA))      3.391 0.848 0.848 ! 3.275 C-1918-2486 

!**assign ((resid     8 and name      HG))   ((resid     8 and name     HB1))       2.076 0.519 0.519  ! 2.995 C-1309-1681 

!assign ((resid     8 and name      HG))   ((resid     8 and name     HB*))      2.117 2.117 0.529 ! 2.349 C-1301-1680 

!assign ((resid     8 and name      HG))   ((resid     8 and name    HD1#) or 
!                                           (resid     8 and name    HD2#))        2.886 2.886 0.722  ! 1.88392 C-1006-1284 

assign ((resid     8 and name      HG))   ((resid     8 and name      HN))      2.936 0.734 0.734 ! 2.627 A-0189-0234 

assign ((resid     8 and name      HA))   ((resid     9 and name      HA))      4.676 1.169 1.169 ! 4.407 C-1920-2492 

assign ((resid     8 and name      HA))   ((resid     9 and name    HG2#))      4.298 4.298 1.075 ! 4.528 C-1179-1540 

assign ((resid     8 and name      HA))   ((resid     9 and name    HG2#))      4.501 4.501 1.125 ! 4.528 C-1952-2489 

assign ((resid     8 and name      HA))   ((resid     9 and name      HN))      3.369 0.842 0.842 ! 3.343 A-0006-0008 

assign ((resid     8 and name     HB*))   ((resid     9 and name    HG2#))      3.744 3.744 0.936 ! 4.065 C-1310-1688 

assign ((resid     8 and name     HB*))   ((resid     9 and name      HN))      3.783 3.783 0.946 ! 4.251 A-0007-0004 

assign ((resid     8 and name     HB*))   ((resid     9 and name    HG2#))      3.710 3.710 0.927 ! 3.393 C-1300-1687 

assign ((resid     8 and name     HB*))   ((resid     9 and name      HN))      3.713 3.713 0.928 ! 3.599 A-0008-0003 

assign ((resid     8 and name    HD1#) or 
        (resid     8 and name    HD2#))   ((resid     9 and name    HG2#))      4.165 4.165 1.041 ! 4.44781 C-0862-1020 

assign ((resid     8 and name      HG))   ((resid     9 and name    HG2#))      4.107 4.107 1.027 ! 5.227 C-1178-1537 

assign ((resid     8 and name      HA))   ((resid    10 and name      HN))      3.713 0.928 0.928 ! 3.451 A-0468-0565 

assign ((resid     8 and name      HG))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      4.808 4.808 1.202 ! 3.63212 D-0153-0707 D-0152-0707 

assign ((resid     8 and name     HB*))   ((resid    70 and name      HA))      4.777 4.777 1.194 ! 4.44 C-1305-1692 

assign ((resid     8 and name    HD1#) or 
        (resid     8 and name    HD2#))   ((resid    70 and name      HA))      3.847 3.847 0.962 ! 2.90721 C-0819-1024 

assign ((resid     8 and name    HD1#) or 
        (resid     8 and name    HD2#))   ((resid    70 and name      HA))      3.816 3.816 0.954 ! 2.90721 C-1005-1286 

assign ((resid     8 and name    HD1#) or 
        (resid     8 and name    HD2#))   ((resid    70 and name      HA))      3.439 3.439 0.860 ! 2.90721 C-1575-2049 

assign ((resid     8 and name    HD1#) or 
        (resid     8 and name    HD2#))   ((resid    70 and name      HA))      3.536 3.536 0.884 ! 2.90721 C-1573-2050 

assign ((resid     8 and name    HD1#) or 
        (resid     8 and name    HD2#))   ((resid    70 and name    HG2#))      3.359 3.359 0.840 ! 2.46643 C-0817-1023 

assign ((resid     8 and name    HD1#) or 
        (resid     8 and name    HD2#))   ((resid    70 and name    HG2#))      3.697 3.697 0.924 ! 2.46643 C-1385-1811 

assign ((resid     8 and name      HG))   ((resid    70 and name      HA))      4.639 1.160 1.160 ! 2.694 C-0606-0710 

assign ((resid     8 and name      HG))   ((resid    70 and name      HA))      4.155 1.039 1.039 ! 2.694 C-1571-2047 

assign ((resid     8 and name      HG))   ((resid    70 and name    HG2#))      4.761 4.761 1.190 ! 3.094 C-0604-0709 

assign ((resid     8 and name      HG))   ((resid    70 and name    HG2#))      4.670 4.670 1.167 ! 3.094 C-1384-1810 

assign ((resid     8 and name    HD1#) or 
        (resid     8 and name    HD2#) or 
        (resid    69 and name     HD*) or 
        (resid    71 and name     HD*))   ((resid    71 and name      HN))      4.209 4.209 1.052 ! 2.66534 B-0051-0145 B-0057-0145 

!assign ((resid     9 and name      HA))   ((resid     9 and name      HB))      2.022 0.505 0.505 ! 2.483 C-0547-0642 

assign ((resid     9 and name      HA))   ((resid     9 and name    HG2#))      2.150 2.150 0.537 ! 2.558 C-1180-1539 

assign ((resid     9 and name      HA))   ((resid     9 and name      HN))      2.913 0.728 0.728 ! 3.013 A-0001-0006 

!assign ((resid     9 and name      HB))   ((resid     9 and name      HA))      1.947 0.487 0.487 ! 2.483 C-1464-1922 

!*****assign ((resid     9 and name      HB))   ((resid     9 and name    HG2#))       1.720 0.430 0.430  ! 2.131 C-1181-1536 

assign ((resid     9 and name      HB))   ((resid     9 and name      HN))      4.114 1.028 1.028 ! 3.759 A-0005-0002 

assign ((resid     9 and name    HG2#))   ((resid     9 and name      HA))      2.113 2.113 0.528 ! 2.558 C-1463-1923 

!*****assign ((resid     9 and name    HG2#))   ((resid     9 and name      HB))       1.759 0.440 0.440  ! 2.131 C-0548-0639 

assign ((resid     9 and name    HG2#))   ((resid     9 and name      HN))      2.623 2.623 0.656 ! 2.333 A-0004-0005 

assign ((resid     9 and name      HA))   ((resid    10 and name      HN))      3.240 0.810 0.810 ! 3.05 A-0479-0564 

assign ((resid     9 and name    HG2#))   ((resid    11 and name     HD1) or 
                                           (resid    11 and name     HD2))      4.374 4.374 1.093 ! 5.44897 C-1182-1535 

!*****assign ((resid    10 and name     HA*))   ((resid    10 and name     HA*))       1.626 1.626 0.406  ! 1.763 C-0905-1154 

assign ((resid    10 and name     HA*))   ((resid    10 and name      HN))      2.809 2.809 0.702 ! 2.845 A-0470-0562 

!*****assign ((resid    10 and name     HA2))   ((resid    10 and name     HA1))       1.597 0.399 0.399  ! 1.763 C-0887-1153 

assign ((resid    10 and name     HA*))   ((resid    10 and name      HN))      2.335 2.335 0.584 ! 2.262 A-0469-0563 

assign ((resid    10 and name     HA*))   ((resid    11 and name      HN))      3.554 3.554 0.888 ! 3.358 A-0177-0209 

assign ((resid    10 and name     HA*))   ((resid    11 and name      HN))      3.388 3.388 0.847 ! 3.089 A-0178-0210 

!assign ((resid    11 and name      HA))   ((resid    11 and name     HB*))      2.730 2.730 0.682 ! 3.011 C-2456-3158 

!assign ((resid    11 and name      HA))   ((resid    11 and name     HB*))      2.758 2.758 0.690 ! 2.446 C-2455-3157 

assign ((resid    11 and name      HA))   ((resid    11 and name     HD1) or 
                                           (resid    11 and name     HD2))      3.551 3.551 0.888 ! 3.98389 C-0405-0486 

assign ((resid    11 and name      HA))   ((resid    11 and name     HG1) or 
                                           (resid    11 and name     HG2))      3.212 3.212 0.803 ! 2.42259 C-0842-1091 

assign ((resid    11 and name      HA))   ((resid    11 and name      HN))      2.773 0.693 0.693 ! 2.92 A-0176-0214 

!assign ((resid    11 and name     HB*))   ((resid    11 and name      HA))      2.488 2.488 0.622 ! 3.011 C-2063-2622 

!assign ((resid    11 and name     HB*))   ((resid    11 and name     HG1) or 
!                                           (resid    11 and name     HG2))      2.746 2.746 0.686 ! 2.38174 C-0845-1092 

assign ((resid    11 and name     HB*) or 
        (resid    11 and name     HB*))   ((resid    11 and name      HN))      2.495 2.495 0.624 ! 2.39916 B-0199-0208 B-0200-0208 

assign ((resid    11 and name     HD1) or 
        (resid    11 and name     HD2))   ((resid    11 and name      HA))      3.444 3.444 0.861 ! 3.98389 C-2061-2617 

!assign ((resid    11 and name     HD1) or 
!        (resid    11 and name     HD2))   ((resid    11 and name     HG1) or 
!                                           (resid    11 and name     HG2))      1.840 1.840 0.460 ! 2.07489 C-0843-1084 

assign ((resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid    11 and name      HA))      2.991 2.991 0.748 ! 2.42259 C-2062-2619 

!assign ((resid    11 and name     HG1) or 
!        (resid    11 and name     HG2))   ((resid    11 and name     HB*))      2.870 2.870 0.718 ! 2.38174 C-2457-3153 

!assign ((resid    11 and name     HG1) or 
!        (resid    11 and name     HG2))   ((resid    11 and name     HB*))      2.857 2.857 0.714 ! 2.37655 C-2454-3152 

!assign ((resid    11 and name     HG1) or 
!        (resid    11 and name     HG2))   ((resid    11 and name     HD1) or 
!                                           (resid    11 and name     HD2))      1.739 1.739 0.435 ! 2.07489 C-0406-0482 

!*****assign ((resid    11 and name     HG1) or 
!*****        (resid    11 and name     HG2))   ((resid    11 and name     HG2) or 
!*****                                           (resid    11 and name     HG1))        1.614 1.614 0.404  ! 1.764 C-0844-1086 

assign ((resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid    11 and name      HN))      4.107 4.107 1.027 ! 4.0515 A-0175-0212 

assign ((resid    11 and name      HA))   ((resid    12 and name      HA))      4.544 1.136 1.136 ! 4.469 C-1328-1747 

assign ((resid    11 and name      HA))   ((resid    12 and name      HA))      4.796 1.199 1.199 ! 4.469 C-2060-2621 

assign ((resid    11 and name      HA))   ((resid    12 and name      HB))      4.682 1.171 1.171 ! 4.903 C-0444-0521 

assign ((resid    11 and name      HA))   ((resid    12 and name      HB))      4.883 1.221 1.221 ! 4.903 C-2059-2618 

assign ((resid    11 and name      HA))   ((resid    12 and name      HN))      1.932 0.483 0.483 ! 2.315 A-0234-0292 

assign ((resid    11 and name     HB*) or 
        (resid    11 and name     HB*))   ((resid    12 and name      HN))      3.508 3.508 0.877 ! 3.65281 B-0221-0286 B-0222-0286 

assign ((resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid    12 and name      HN))      3.888 3.888 0.972 ! 2.48949 A-0235-0289 

assign ((resid    11 and name     HD1) or 
        (resid    11 and name     HD2))   ((resid    13 and name    HD1#))      4.332 4.332 1.083 ! 4.66332 C-0407-0487 

assign ((resid    11 and name     HD1) or 
        (resid    11 and name     HD2))   ((resid    13 and name    HG2#))      4.342 4.342 1.085 ! 2.90752 C-0403-0485 

assign ((resid    11 and name     HE1) or 
        (resid    11 and name     HE2))   ((resid    13 and name    HD1#))      3.751 3.751 0.938 ! 5.19713 C-1293-1712 

assign ((resid    11 and name     HE1) or 
        (resid    11 and name     HE2))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12))      4.695 4.695 1.174 ! 6.2342 C-0632-0798 

assign ((resid    11 and name     HE1) or 
        (resid    11 and name     HE2))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12))      4.316 4.316 1.079 ! 5.8064 D-0295-0781 D-0296-0781 

assign ((resid    11 and name     HE1) or 
        (resid    11 and name     HE2))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12))      4.226 4.226 1.056 ! 5.8064 D-0781-1705 D-0782-1705 

assign ((resid    11 and name     HE1) or 
        (resid    11 and name     HE2))   ((resid    13 and name    HG2#))      3.496 3.496 0.874 ! 4.11805 C-1294-1710 

assign ((resid    11 and name     HE1) or 
        (resid    11 and name     HE2))   ((resid    13 and name    HG2#))      3.453 3.453 0.863 ! 4.11805 C-1732-2241 

assign ((resid    11 and name     HG1) or 
        (resid    11 and name     HG2))   ((resid    13 and name    HG2#))      4.515 4.515 1.129 ! 2.70598 C-0846-1090 

!assign ((resid    11 and name     HG1) or 
!        (resid    11 and name     HG2))   ((resid    34 and name     HB1))        3.500 3.500 0.875  ! 6.4967 C-0064-0031 

!assign ((resid    12 and name      HA))   ((resid    12 and name      HB))      2.975 0.744 0.744 ! 3.055 C-0445-0518 

assign ((resid    12 and name      HA))   ((resid    12 and name    HG2#))      2.142 2.142 0.535 ! 2.444 C-1149-1518 

assign ((resid    12 and name      HA))   ((resid    12 and name      HN))      3.220 0.805 0.805 ! 2.972 A-0236-0290 

!assign ((resid    12 and name      HB))   ((resid    12 and name      HA))      3.014 0.753 0.753 ! 3.055 C-1327-1740 

!*****assign ((resid    12 and name      HB))   ((resid    12 and name    HG2#))       1.952 0.488 0.488  ! 2.089 C-1145-1515 

assign ((resid    12 and name      HB))   ((resid    12 and name      HN))      2.495 0.624 0.624 ! 2.811 A-0233-0287 

assign ((resid    12 and name    HG2#))   ((resid    12 and name      HA))      2.150 2.150 0.537 ! 2.444 C-1324-1744 

!*****assign ((resid    12 and name    HG2#))   ((resid    12 and name      HB))       1.902 0.475 0.475  ! 2.089 C-0443-0517 

assign ((resid    12 and name    HG2#) or 
        (resid    14 and name    HG2#))   ((resid    12 and name      HN))      3.678 3.678 0.919 ! 3.88777 B-0102-0291 B-0101-0291 

assign ((resid    12 and name      HA))   ((resid    13 and name      HA))      4.680 1.170 1.170 ! 4.405 C-1325-1745 

assign ((resid    12 and name      HA))   ((resid    13 and name    HD1#))      4.693 4.693 1.173 ! 5.823 C-1329-1748 

assign ((resid    12 and name      HA))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    15 and name      HG) or 
                                           (resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12) or 
                                           (resid    42 and name     HG1) or 
                                           (resid    42 and name     HG2))      4.535 4.535 1.134 ! 5.3649 D-0798-1741 D-0797-1741 D-0799-1741 D-0800-1741 

assign ((resid    12 and name      HA))   ((resid    13 and name    HG2#))      4.328 4.328 1.082 ! 3.275 C-1264-1746 

assign ((resid    12 and name      HA))   ((resid    13 and name      HN))      2.213 0.553 0.553 ! 2.248 A-0504-0612 

assign ((resid    12 and name    HG2#))   ((resid    13 and name      HA))      3.948 3.948 0.987 ! 3.708 C-1150-1522 

assign ((resid    12 and name    HG2#) or 
        (resid    14 and name    HG2#))   ((resid    13 and name      HA))      3.578 3.578 0.894 ! 3.12032 D-0904-2135 D-0903-2135 

assign ((resid    12 and name    HG2#))   ((resid    13 and name    HG2#))      4.508 4.508 1.127 ! 3.932 C-1146-1523 

assign ((resid    12 and name    HG2#) or 
        (resid    14 and name    HG2#))   ((resid    13 and name      HN))      2.876 2.876 0.719 ! 2.27856 B-0185-0613 B-0184-0613 

assign ((resid    12 and name    HG2#) or 
        (resid    14 and name    HG2#))   ((resid    14 and name      HN))      3.495 3.495 0.874 ! 2.37455 B-0078-0223 B-0077-0223 

assign ((resid    12 and name    HG2#) or 
        (resid    14 and name    HG2#))   ((resid    15 and name      HN))      2.819 2.819 0.705 ! 4.08497 B-0005-0038 B-0006-0038 

assign ((resid    12 and name    HG2#))   ((resid    66 and name      HA))      4.987 4.987 1.247 ! 4.894 C-1148-1519 

!assign ((resid    13 and name      HA))   ((resid    13 and name      HB))      2.784 0.696 0.696 ! 2.242 C-1458-1886 

assign ((resid    13 and name      HA))   ((resid    13 and name    HD1#))      3.717 3.717 0.929 ! 4.07 C-2118-2660 

assign ((resid    13 and name      HA))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12))      3.070 3.070 0.767 ! 3.02519 D-0281-0786 D-0282-0786 

assign ((resid    13 and name      HA))   ((resid    13 and name    HG11) or 
                                           (resid    13 and name    HG12) or 
                                           (resid    15 and name      HG))      3.080 3.080 0.770 ! 3.02463 D-0184-0801 D-0183-0801 

assign ((resid    13 and name      HA))   ((resid    13 and name    HG2#))      2.268 2.268 0.567 ! 3.032 C-1726-2244 

assign ((resid    13 and name      HA))   ((resid    13 and name      HN))      3.240 0.810 0.810 ! 3.008 A-0506-0615 

!assign ((resid    13 and name      HB))   ((resid    13 and name      HA))      2.737 0.684 0.684 ! 2.242 C-1634-2136 

assign ((resid    13 and name      HB))   ((resid    13 and name    HD1#))      2.470 2.470 0.618 ! 2.398 C-2121-2659 

!**assign ((resid    13 and name      HB))   ((resid    13 and name    HG11) or 
!**                                           (resid    13 and name    HG12) or 
!**                                           (resid    36 and name    HG11) or 
!**                                           (resid    36 and name    HG12))        3.430 3.430 0.858  ! 2.33801 D-0291-0784 D-0292-0784 

!assign ((resid    13 and name      HB))   ((resid    13 and name    HG11) or 
!                                           (resid    13 and name    HG12) or 
!                                           (resid    15 and name      HG))      2.746 2.746 0.686 ! 2.33803 D-0195-0799 D-0194-0799 

!assign ((resid    13 and name      HB))   ((resid    13 and name    HG2#))      2.286 2.286 0.572 ! 2.046 C-1731-2243 

assign ((resid    13 and name      HB))   ((resid    13 and name      HN))      2.960 0.740 0.740 ! 3.669 A-0507-0614 

assign ((resid    13 and name    HD1#))   ((resid    13 and name      HA))      3.408 3.408 0.852 ! 4.07 C-1633-2138 

assign ((resid    13 and name    HD1#))   ((resid    13 and name      HB))      2.328 2.328 0.582 ! 2.398 C-1459-1888 

!assign ((resid    13 and name    HD1#))   ((resid    13 and name    HG11) or 
!                                           (resid    13 and name    HG12) or 
!                                           (resid    36 and name    HG11) or 
!                                           (resid    36 and name    HG12))      2.262 2.262 0.566 ! 2.16268 D-0275-0791 D-0276-0791 

!assign ((resid    13 and name    HD1#))   ((resid    13 and name    HG11) or 
!                                           (resid    13 and name    HG12) or 
!                                           (resid    15 and name      HG))      2.230 2.230 0.557 ! 2.16123 D-0182-0802 D-0181-0802 

!assign ((resid    13 and name    HD1#))   ((resid    13 and name    HG2#))      2.163 2.163 0.541 ! 1.887 C-1724-2247 

assign ((resid    13 and name    HD1#))   ((resid    13 and name      HN))      4.122 4.122 1.030 ! 4.229 A-0508-0608 

assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    36 and name    HG11) or 
        (resid    36 and name    HG12))   ((resid    13 and name      HA))      2.819 2.819 0.705 ! 3.02519 D-0905-2133 D-0906-2133 

assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    15 and name      HG))   ((resid    13 and name      HA))      2.969 2.969 0.742 ! 3.02463 D-0902-2134 D-0901-2134 

!**assign ((resid    13 and name    HG11) or 
!**        (resid    13 and name    HG12) or 
!**        (resid    36 and name    HG11) or 
!**        (resid    36 and name    HG12))   ((resid    13 and name      HB))        3.355 3.355 0.839  ! 2.33801 D-0850-1882 D-0851-1882 

!assign ((resid    13 and name    HG11) or 
!        (resid    13 and name    HG12) or 
!        (resid    15 and name      HG))   ((resid    13 and name      HB))      2.665 2.665 0.666 ! 2.33803 D-0849-1883 D-0848-1883 

!assign ((resid    13 and name    HG11) or 
!        (resid    13 and name    HG12) or 
!        (resid    15 and name      HG) or 
!        (resid    36 and name    HG11) or 
!        (resid    36 and name    HG12) or 
!        (resid    42 and name     HG1) or 
!        (resid    42 and name     HG2))   ((resid    13 and name    HD1#))      2.262 2.262 0.566 ! 2.15989 D-1075-2649 D-1074-2649 D-1076-2649 D-1077-2649 

!assign ((resid    13 and name    HG11) or 
!        (resid    13 and name    HG12) or 
!        (resid    36 and name    HG11) or 
!        (resid    36 and name    HG12))   ((resid    13 and name    HD1#))      2.302 2.302 0.576 ! 2.16268 D-1078-2650 D-1079-2650 

!*******assign ((resid    13 and name    HG11) or 
!*******        (resid    13 and name    HG12) or 
!*******        (resid    15 and name      HG) or 
!*******        (resid    36 and name    HG11) or 
!*******        (resid    36 and name    HG12) or 
!*******        (resid    42 and name     HG1) or 
!*******        (resid    42 and name     HG2))   ((resid    13 and name    HG12) or 
!*******                                           (resid    13 and name    HG11) or 
!*******                                           (resid    36 and name    HG11) or 
!*******                                           (resid    36 and name    HG12))        1.514 1.514 0.379  ! 1.56994 D-0266-0774 D-0270-0774 D-0265-0774 D-0269-0774 D-0267-0774 D-0271-0774 D-0268-0774 D-0272-0774 

!*******assign ((resid    13 and name    HG11) or 
!*******        (resid    13 and name    HG12) or 
!*******        (resid    36 and name    HG11) or 
!*******        (resid    36 and name    HG12))   ((resid    13 and name    HG12) or 
!*******                                           (resid    13 and name    HG11) or 
!*******                                           (resid    15 and name      HG))        1.673 1.673 0.418  ! 1.7614 D-0189-0796 D-0187-0796 D-0190-0796 D-0188-0796 

!assign ((resid    13 and name    HG11) or 
!        (resid    13 and name    HG12) or 
!        (resid    15 and name      HG) or 
!        (resid    36 and name    HG11) or 
!        (resid    36 and name    HG12) or 
!        (resid    42 and name     HG1) or 
!        (resid    42 and name     HG2))   ((resid    13 and name    HG2#))      2.601 2.601 0.650 ! 2.47205 D-0973-2233 D-0972-2233 D-0974-2233 D-0975-2233 

!assign ((resid    13 and name    HG11) or 
!        (resid    13 and name    HG12) or 
!        (resid    36 and name    HG11) or 
!        (resid    36 and name    HG12))   ((resid    13 and name    HG2#))      2.437 2.437 0.609 ! 2.47288 D-0976-2234 D-0977-2234 

assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    15 and name      HG))   ((resid    13 and name      HN))      3.233 3.233 0.808 ! 3.3929 B-0183-0610 B-0182-0610 

assign ((resid    13 and name    HG2#))   ((resid    13 and name      HA))      2.142 2.142 0.535 ! 3.032 C-1632-2137 

!assign ((resid    13 and name    HG2#))   ((resid    13 and name      HB))      2.257 2.257 0.564 ! 2.046 C-1460-1887 

!assign ((resid    13 and name    HG2#))   ((resid    13 and name    HD1#))      2.105 2.105 0.526 ! 1.887 C-2117-2661 

!assign ((resid    13 and name    HG2#))   ((resid    13 and name    HG11) or 
!                                           (resid    13 and name    HG12) or 
!                                           (resid    15 and name      HG) or 
!                                           (resid    42 and name     HG1) or 
!                                           (resid    42 and name     HG2))      2.657 2.657 0.664 ! 2.47488 D-0192-0757 D-0191-0757 D-0193-0757 

!assign ((resid    13 and name    HG2#))   ((resid    13 and name    HG11) or 
!                                           (resid    13 and name    HG12) or 
!                                           (resid    36 and name    HG11) or 
!                                           (resid    36 and name    HG12))      2.300 2.300 0.575 ! 2.47288 D-0277-0787 D-0278-0787 

assign ((resid    13 and name    HG2#))   ((resid    13 and name      HN))      3.602 3.602 0.900 ! 2.233 A-0505-0616 

assign ((resid    13 and name      HA))   ((resid    14 and name      HA))      4.564 1.141 1.141 ! 4.257 C-1408-1867 

assign ((resid    13 and name      HA))   ((resid    14 and name      HN))      2.101 0.525 0.525 ! 2.155 A-0181-0226 

assign ((resid    13 and name      HB))   ((resid    14 and name      HN))      3.184 0.796 0.796 ! 3.508 A-0183-0225 

!***assign ((resid    13 and name    HG11) or 
!***        (resid    13 and name    HG12) or 
!***        (resid    36 and name    HG11) or 
!***        (resid    36 and name    HG12))   ((resid    14 and name      HA))        4.547 4.547 1.137  ! 3.78202 D-0825-1862 D-0826-1862 

assign ((resid    13 and name    HG2#))   ((resid    14 and name      HA))      4.172 4.172 1.043 ! 5.433 C-1412-1868 

assign ((resid    13 and name    HG2#))   ((resid    14 and name      HA))      4.071 4.071 1.018 ! 5.433 C-1807-2242 

assign ((resid    13 and name    HG2#))   ((resid    14 and name      HB))      4.672 4.672 1.168 ! 7.162 C-1728-2232 

assign ((resid    13 and name    HG2#))   ((resid    14 and name      HN))      2.849 2.849 0.712 ! 4.47 A-0179-0227 

!******assign ((resid    13 and name      HB))   ((resid    15 and name    HD1#) or 
!******                                           (resid    15 and name    HD2#))        4.586 4.586 1.147  ! 6.013 C-0979-1224 

!assign ((resid    13 and name    HD1#))   ((resid    15 and name    HD2#) or 
!                                           (resid    43 and name    HD*))        2.650 2.650 0.662  ! 3.46128 D-0554-1216 D-0555-1216 

!assign ((resid    13 and name    HG11) or 
!        (resid    13 and name    HG12) or 
!        (resid    36 and name    HG11) or 
!        (resid    36 and name    HG12))   ((resid    15 and name      HA))        3.371 3.371 0.843  ! 4.1503 D-0022-0090 D-0023-0090 

!assign ((resid    13 and name    HG11) or 
!        (resid    13 and name    HG12) or 
!        (resid    15 and name      HG) or 
!        (resid    36 and name    HG11) or 
!        (resid    36 and name    HG12))   ((resid    15 and name      HA))        3.472 3.472 0.868  ! 3.14267 D-0223-0771 D-0222-0771 D-0224-0771 

!assign ((resid    13 and name    HG11) or 
!        (resid    13 and name    HG12) or 
!        (resid    15 and name      HG) or 
!        (resid    36 and name    HG11) or 
!        (resid    36 and name    HG12))   ((resid    15 and name     HB*))      2.333 2.333 0.583 ! 2.15819 D-0220-0776 D-0219-0776 D-0221-0776 

!assign ((resid    13 and name    HG11) or 
!        (resid    13 and name    HG12) or 
!        (resid    15 and name      HG) or 
!        (resid    36 and name    HG11) or 
!        (resid    36 and name    HG12))   ((resid    15 and name    HD1#) or 
!                                           (resid    15 and name    HD2#))      1.791 1.791 0.448 ! 1.98806 D-0306-0733 D-0305-0733 D-0307-0733 

!******assign ((resid    13 and name    HG11) or 
!******        (resid    13 and name    HG12) or 
!******        (resid    36 and name    HG11) or 
!******        (resid    36 and name    HG12))   ((resid    15 and name    HD1#) or 
!******                                           (resid    15 and name    HD2#))        1.759 1.759 0.440  ! 2.41887 D-0212-0773 D-0213-0773 

!assign ((resid    13 and name    HG11) or 
!        (resid    13 and name    HG12) or 
!        (resid    15 and name      HG) or 
!        (resid    36 and name    HG11) or 
!        (resid    36 and name    HG12) or 
!        (resid    42 and name     HG1) or 
!        (resid    42 and name     HG2))   ((resid    15 and name    HD1#) or 
!                                           (resid    15 and name    HD2#) or 
!                                           (resid    43 and name     HD*))      2.546 2.546 0.636 ! 2.08822 D-0541-1198 D-0545-1198 D-0540-1198 D-0544-1198 D-0542-1198 D-0546-1198 D-0543-1198 D-0547-1198 

!*****assign ((resid    13 and name    HG11) or 
!*****        (resid    13 and name    HG12) or 
!*****        (resid    15 and name      HG) or 
!*****        (resid    36 and name    HG11) or 
!*****        (resid    36 and name    HG12) or 
!*****        (resid    42 and name     HG1) or 
!*****        (resid    42 and name     HG2))   ((resid    15 and name      HG) or 
!*****                                           (resid    36 and name    HG11) or 
!*****                                           (resid    36 and name    HG12) or 
!*****                                           (resid    42 and name     HG1) or 
!*****                                           (resid    42 and name     HG2) or 
!*****                                           (resid    13 and name    HG11) or 
!*****                                           (resid    13 and name    HG12))        1.133 1.133 0.283  ! 4.93151 D-0198-0750 D-0204-0750 D-0206-0750 D-0200-0750 D-0203-0750 D-0201-0750 D-0199-0750 D-0207-0750 D-0202-0750 D-0205-0750 

assign ((resid    13 and name    HG2#))   ((resid    15 and name      HA))      4.623 4.623 1.156 ! 6.713 C-1808-2229 

assign ((resid    13 and name    HG2#))   ((resid    15 and name    HD1#) or 
                                           (resid    15 and name    HD2#))      3.080 3.080 0.770 ! 4.39 C-0644-0741 

assign ((resid    13 and name    HG2#))   ((resid    15 and name    HD1#) or 
                                           (resid    15 and name    HD2#) or 
                                           (resid    43 and name     HD*))      2.386 2.386 0.597 ! 4.56808 D-0558-1211 D-0559-1211 

assign ((resid    13 and name    HD1#))   ((resid    30 and name      HA))      3.375 3.375 0.844 ! 2.623 C-0916-1168 

assign ((resid    13 and name    HD1#))   ((resid    30 and name      HA))      3.359 3.359 0.840 ! 2.623 C-2114-2654 

assign ((resid    13 and name    HD1#))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      4.346 4.346 1.087 ! 2.45789 C-2112-2647 

assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12))   ((resid    30 and name    HD1#))      3.879 3.879 0.970 ! 4.54361 C-2030-2564 

assign ((resid    13 and name    HG2#))   ((resid    30 and name      HA))      3.730 3.730 0.932 ! 5.063 C-0910-1163 

assign ((resid    13 and name    HG2#))   ((resid    30 and name      HA))      3.717 3.717 0.929 ! 5.063 C-1727-2237 

!assign ((resid    13 and name    HG2#))   ((resid    30 and name    HD1#))       3.305 0.826 0.826  ! 4.431 C-1729-2245 

assign ((resid    13 and name    HG2#))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      4.118 4.118 1.030 ! 4.03129 C-0171-0203 

assign ((resid    13 and name    HG2#))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      4.164 4.164 1.041 ! 4.03129 C-1806-2230 

assign ((resid    13 and name    HD1#))   ((resid    33 and name     HD1) or 
                                           (resid    33 and name     HD2))      3.855 3.855 0.964 ! 2.12386 C-0431-0509 

assign ((resid    13 and name    HD1#))   ((resid    33 and name     HD1) or 
                                           (resid    33 and name     HD2))      3.422 3.422 0.856 ! 2.12386 C-2123-2648 

assign ((resid    13 and name    HD1#))   ((resid    33 and name     HE1) or 
                                           (resid    33 and name     HE2))      4.581 4.581 1.145 ! 3.65958 D-1070-2657 D-1071-2657 

assign ((resid    13 and name    HD1#))   ((resid    33 and name     HG1) or 
                                           (resid    33 and name     HG2))      3.855 3.855 0.964 ! 2.08274 C-0809-1016 

assign ((resid    13 and name    HD1#))   ((resid    33 and name     HG1) or 
                                           (resid    33 and name     HG2))      3.801 3.801 0.950 ! 2.08274 C-2122-2652 

assign ((resid    13 and name    HG2#))   ((resid    33 and name     HB1))      3.557 3.557 0.889 ! 6.799 C-2292-2942 

assign ((resid    13 and name    HG2#))   ((resid    33 and name     HB2))      3.589 3.589 0.897 ! 6.165 C-2300-2943 

assign ((resid    13 and name    HG2#))   ((resid    33 and name     HD1) or 
                                           (resid    33 and name     HD2))      3.157 3.157 0.789 ! 3.90048 C-0432-0507 

assign ((resid    13 and name    HG2#))   ((resid    33 and name     HD1) or 
                                           (resid    33 and name     HD2))      2.747 2.747 0.687 ! 3.90048 C-1723-2231 

assign ((resid    13 and name    HG2#))   ((resid    33 and name     HE1) or 
                                           (resid    33 and name     HE2))      3.779 3.779 0.945 ! 5.62753 C-1279-1675 

assign ((resid    13 and name    HG2#))   ((resid    33 and name     HE1) or 
                                           (resid    33 and name     HE2))      3.839 3.839 0.960 ! 5.62753 C-1203-1676 

assign ((resid    13 and name    HG2#))   ((resid    33 and name     HE1) or 
                                           (resid    33 and name     HE2))      3.160 3.160 0.790 ! 5.62753 D-0979-2240 D-0978-2240 

assign ((resid    13 and name    HG2#))   ((resid    33 and name     HG1) or 
                                           (resid    33 and name     HG2))      3.209 3.209 0.802 ! 4.23426 C-0812-1013 

assign ((resid    13 and name    HG2#))   ((resid    33 and name     HG1) or 
                                           (resid    33 and name     HG2))      3.190 3.190 0.797 ! 4.23426 C-1725-2235 

assign ((resid    13 and name    HD1#))   ((resid    34 and name     HB*))      3.772 3.772 0.943 ! 4.16 C-2116-2646 

assign ((resid    13 and name    HD1#))   ((resid    34 and name     HB*))      4.258 4.258 1.065 ! 3.495 C-2113-2645 

!assign ((resid    13 and name    HD1#))   ((resid    34 and name     HG1) or 
!                                           (resid    34 and name     HG2))        3.007 3.007 0.752  ! 1.82299 C-2090-2642 

assign ((resid    13 and name    HD1#))   ((resid    34 and name     HG1) or 
                                           (resid    34 and name     HG2))      2.634 2.634 0.658 ! 1.82299 C-2120-2663 

assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    36 and name    HG11) or 
        (resid    36 and name    HG12))   ((resid    34 and name     HB*))      4.493 4.493 1.123 ! 3.07773 D-0019-0029 D-0018-0029 

assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    36 and name    HG11) or 
        (resid    36 and name    HG12))   ((resid    34 and name     HB*))      4.047 4.047 1.012 ! 3.07773 D-0279-0770 D-0280-0770 

assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    36 and name    HG11) or 
        (resid    36 and name    HG12))   ((resid    34 and name     HB*))      4.158 4.158 1.040 ! 3.0347 D-0013-0028 D-0014-0028 

assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    36 and name    HG11) or 
        (resid    36 and name    HG12))   ((resid    34 and name     HB*))      4.185 4.185 1.046 ! 3.0347 D-0255-0769 D-0256-0769 

assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    36 and name    HG11) or 
        (resid    36 and name    HG12))   ((resid    34 and name     HG1) or 
                                           (resid    34 and name     HG2))      3.704 3.704 0.926 ! 3.53626 D-0287-0790 D-0288-0790 

assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    36 and name    HG11) or 
        (resid    36 and name    HG12))   ((resid    34 and name     HG1) or 
                                           (resid    34 and name     HG2))      3.794 3.794 0.949 ! 3.53626 D-1058-2635 D-1059-2635 

assign ((resid    13 and name    HG2#))   ((resid    34 and name      HA))      4.904 4.904 1.226 ! 5.446 C-2222-2839 

assign ((resid    13 and name    HG2#))   ((resid    34 and name     HB*))      4.653 4.653 1.163 ! 4.202 C-0031-0037 

assign ((resid    13 and name    HG2#))   ((resid    34 and name     HG1) or 
                                           (resid    34 and name     HG2))      3.215 3.215 0.804 ! 2.11535 C-1733-2246 

assign ((resid    13 and name    HG2#))   ((resid    34 and name     HG1) or 
                                           (resid    34 and name     HG2))      3.391 3.391 0.848 ! 2.11535 C-2086-2639 

assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    36 and name    HG11) or 
        (resid    36 and name    HG12))   ((resid    36 and name      HA))      2.911 2.911 0.728 ! 2.57714 D-0263-0789 D-0264-0789 

assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    36 and name    HG11) or 
        (resid    36 and name    HG12))   ((resid    36 and name      HA))      2.896 2.896 0.724 ! 2.57714 D-1011-2480 D-1012-2480 

!assign ((resid    13 and name    HG11) or 
!        (resid    13 and name    HG12) or 
!        (resid    36 and name    HG11) or 
!        (resid    36 and name    HG12))   ((resid    36 and name      HB))      2.781 2.781 0.695 ! 2.47139 D-0285-0785 D-0286-0785 

!assign ((resid    13 and name    HG11) or 
!        (resid    13 and name    HG12) or 
!        (resid    36 and name    HG11) or 
!        (resid    36 and name    HG12))   ((resid    36 and name      HB))      2.761 2.761 0.690 ! 2.47139 D-0856-1930 D-0857-1930 

!assign ((resid    13 and name    HG11) or 
!        (resid    13 and name    HG12) or 
!        (resid    36 and name    HG11) or 
!        (resid    36 and name    HG12))   ((resid    36 and name    HD1#))      2.251 2.251 0.563 ! 2.17816 D-0253-0792 D-0254-0792 

!assign ((resid    13 and name    HG11) or 
!        (resid    13 and name    HG12) or 
!        (resid    36 and name    HG11) or 
!        (resid    36 and name    HG12))   ((resid    36 and name    HD1#))      2.163 2.163 0.541 ! 2.17816 D-1168-2886 D-1169-2886 

!*******assign ((resid    13 and name    HG11) or 
!*******        (resid    13 and name    HG12) or 
!*******        (resid    36 and name    HG11) or 
!*******        (resid    36 and name    HG12))   ((resid    36 and name    HG11) or 
!*******                                           (resid    36 and name    HG12) or 
!*******                                           (resid    42 and name     HG1) or 
!*******                                           (resid    42 and name     HG2))        1.764 1.764 0.441  ! 1.76295 D-0235-0751 D-0237-0751 D-0236-0751 D-0238-0751 

!*****assign ((resid    13 and name    HG11) or 
!*****        (resid    13 and name    HG12) or 
!*****        (resid    36 and name    HG11) or 
!*****        (resid    36 and name    HG12))   ((resid    36 and name    HG11) or 
!*****                                           (resid    36 and name    HG12) or 
!*****                                           (resid    13 and name    HG11) or 
!*****                                           (resid    13 and name    HG12))        1.219 1.219 0.305  ! 7.69116 D-0274-0775 D-0273-0775 

!assign ((resid    13 and name    HG11) or 
!        (resid    13 and name    HG12) or 
!        (resid    36 and name    HG11) or 
!        (resid    36 and name    HG12))   ((resid    36 and name    HG2#))      2.609 2.609 0.652 ! 2.26099 D-0968-2256 D-0969-2256 

assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    36 and name    HG11) or 
        (resid    36 and name    HG12))   ((resid    36 and name      HN))      2.640 2.640 0.660 ! 2.10569 B-0116-0323 B-0115-0323 

assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    36 and name    HG11) or 
        (resid    36 and name    HG12))   ((resid    36 and name      HN))      3.383 3.383 0.846 ! 2.10569 B-0113-0324 B-0114-0324 

assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    36 and name    HG11) or 
        (resid    36 and name    HG12))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      4.416 4.416 1.104 ! 3.66955 D-0069-0306 D-0070-0306 

assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    36 and name    HG11) or 
        (resid    36 and name    HG12))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      4.242 4.242 1.060 ! 3.66955 D-0079-0307 D-0080-0307 

!assign ((resid    13 and name    HG11) or 
!        (resid    13 and name    HG12) or 
!        (resid    36 and name    HG11) or 
!        (resid    36 and name    HG12))   ((resid    40 and name     HB2))        4.553 4.553 1.138  ! 5.27426 D-0297-0772 D-0298-0772 

assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    36 and name    HG11) or 
        (resid    36 and name    HG12))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      4.771 4.771 1.193 ! 4.62701 D-0293-0794 D-0294-0794 

assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    42 and name     HG1) or 
        (resid    42 and name     HG2))   ((resid    42 and name      HA))      2.784 2.784 0.696 ! 2.6935 D-1118-2877 D-1119-2877 

!assign ((resid    13 and name    HG11) or 
!        (resid    13 and name    HG12) or 
!        (resid    42 and name     HG1) or 
!        (resid    42 and name     HG2))   ((resid    42 and name     HB*))      2.323 2.323 0.581 ! 2.30208 D-0037-0142 D-0036-0142 

!assign ((resid    13 and name    HG11) or 
!        (resid    13 and name    HG12) or 
!        (resid    42 and name     HG1) or 
!        (resid    42 and name     HG2) or 
!        (resid    43 and name      HG))   ((resid    43 and name     HB2))      2.813 2.813 0.703 ! 2.50117 D-0178-0714 D-0179-0714 D-0180-0714 

assign ((resid    13 and name    HG11) or 
        (resid    13 and name    HG12) or 
        (resid    42 and name     HG1) or 
        (resid    42 and name     HG2) or 
        (resid    43 and name      HG))   ((resid    70 and name      HB))      4.319 4.319 1.080 ! 2.81749 D-1098-2762 D-1099-2762 D-1100-2762 

!assign ((resid    14 and name      HA))   ((resid    14 and name      HB))      2.722 0.680 0.680 ! 2.529 C-0449-0570 

assign ((resid    14 and name      HA))   ((resid    14 and name    HG2#))      2.268 2.268 0.567 ! 2.505 C-1183-1546 

assign ((resid    14 and name      HA))   ((resid    14 and name      HN))      3.106 0.776 0.776 ! 2.995 A-0182-0224 

!assign ((resid    14 and name      HB))   ((resid    14 and name      HA))      2.647 0.662 0.662 ! 2.529 C-1411-1861 

!*****assign ((resid    14 and name      HB))   ((resid    14 and name    HG2#))       1.905 0.476 0.476  ! 2.153 C-1184-1544 

assign ((resid    14 and name      HB))   ((resid    14 and name      HN))      2.495 0.624 0.624 ! 3.748 A-0180-0222 

assign ((resid    14 and name    HG2#))   ((resid    14 and name      HA))      2.172 2.172 0.543 ! 2.505 C-1409-1864 

!*****assign ((resid    14 and name    HG2#))   ((resid    14 and name      HB))       1.974 0.493 0.493  ! 2.153 C-0450-0569 

assign ((resid    14 and name      HA))   ((resid    15 and name    HD1#) or 
                                           (resid    15 and name    HD2#))      4.976 4.976 1.244 ! 4.545 C-0614-0740 

assign ((resid    14 and name      HA))   ((resid    15 and name    HD1#) or 
                                           (resid    15 and name    HD2#))      4.505 4.505 1.126 ! 4.76 C-1414-1863 

assign ((resid    14 and name      HA))   ((resid    15 and name      HN))      2.032 0.508 0.508 ! 2.242 A-0030-0039 

assign ((resid    14 and name      HB))   ((resid    15 and name      HN))      3.808 0.952 0.952 ! 3.253 A-0029-0032 

assign ((resid    14 and name    HG2#))   ((resid    15 and name      HA))      4.239 4.239 1.060 ! 5.612 C-0076-0094 

assign ((resid    14 and name    HG2#))   ((resid    15 and name      HA))      3.904 3.904 0.976 ! 5.612 C-1188-1541 

assign ((resid    14 and name    HG2#))   ((resid    16 and name      HA))      4.979 4.979 1.245 ! 7.217 C-2271-2949 

!assign ((resid    15 and name      HA))   ((resid    15 and name     HB*))      2.656 2.656 0.664 ! 2.809 C-0721-0877 

!assign ((resid    15 and name      HA))   ((resid    15 and name     HB*))      2.743 2.743 0.686 ! 2.826 C-0709-0876 

assign ((resid    15 and name      HA))   ((resid    15 and name    HD1#) or 
                                           (resid    15 and name    HD2#))      3.309 3.309 0.827 ! 2.306 C-0647-0728 

assign ((resid    15 and name      HA))   ((resid    15 and name    HD1#) or 
                                           (resid    15 and name    HD2#) or 
                                           (resid    43 and name     HD*))      2.051 2.051 0.513 ! 3.85188 D-0567-1191 D-0568-1191 

assign ((resid    15 and name      HA))   ((resid    15 and name      HN))      3.095 0.774 0.774 ! 2.962 A-0036-0031 

!assign ((resid    15 and name     HB*))   ((resid    15 and name      HA))      2.409 2.409 0.602 ! 2.809 C-0075-0091 

!*****assign ((resid    15 and name     HB1))   ((resid    15 and name     HB2))       1.810 0.453 0.453  ! 1.763 C-0710-0881 

assign ((resid    15 and name     HB*))   ((resid    15 and name    HD1#) or 
                                           (resid    15 and name    HD2#))      2.348 2.348 0.587 ! 3.156 C-0652-0734 

assign ((resid    15 and name     HB*))   ((resid    15 and name    HD1#) or 
                                           (resid    15 and name    HD2#) or 
                                           (resid    43 and name     HD*))      2.565 2.565 0.641 ! 2.4765 D-0565-1201 D-0566-1201 

assign ((resid    15 and name     HB*))   ((resid    15 and name      HN))      3.745 3.745 0.936 ! 3.129 A-0034-0035 

! Disjoint fromNOElist {15 HB*}
! Disjoint toNOElist {15 HB*}
!assign ((resid    15 and name     HB*))   ((resid    15 and name     HB*))      1.834 1.834 0.459 ! 1.763 C-0720-0882 

assign ((resid    15 and name     HB*))   ((resid    15 and name      HN))      3.045 3.045 0.761 ! 2.218 A-0033-0034 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    15 and name      HA))      3.573 3.573 0.893 ! 2.306 C-0079-0089 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    15 and name     HB*))      2.859 2.859 0.715 ! 3.156 C-0725-0879 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    15 and name     HB*))      2.870 2.870 0.718 ! 2.679 C-0714-0878 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#) or 
        (resid    56 and name     HD*))   ((resid    15 and name      HN))      4.395 4.395 1.099 ! 3.82439 B-0003-0033 B-0004-0033 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    15 and name      HA))      2.117 2.117 0.529 ! 3.856 C-0078-0092 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    15 and name     HB*))      2.946 2.946 0.737 ! 2.477 C-0723-0884 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    15 and name     HB*))      3.134 3.134 0.783 ! 1.966 C-0717-0883 

!*****assign ((resid    15 and name    HD1#) or
!*****        (resid    15 and name    HD2#))   ((resid    15 and name    HD1#) or 
!*****                                                 (resid    15 and name    HD2#))        1.974 1.974 0.493  ! 2.069 C-0646-0736 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    15 and name      HN))      4.010 4.010 1.002 ! 3.809 A-0031-0037 

assign ((resid    15 and name      HA))   ((resid    16 and name     HB*))      4.695 4.695 1.174 ! 4.684 C-0081-0087 

assign ((resid    15 and name      HA))   ((resid    16 and name      HN))      2.043 0.511 0.511 ! 2.343 A-0151-0182 

assign ((resid    15 and name     HB*))   ((resid    16 and name      HN))      3.132 3.132 0.783 ! 3.121 A-0150-0185 

assign ((resid    15 and name     HB*))   ((resid    16 and name      HN))      4.306 4.306 1.077 ! 4.242 A-0148-0184 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    16 and name      HN))      3.397 3.397 0.849 ! 4.765 A-0147-0186 

assign ((resid    15 and name      HA))   ((resid    17 and name    HG1#))      3.787 3.787 0.947 ! 4.426 C-0077-0093 

assign ((resid    15 and name      HA))   ((resid    17 and name    HG1#))      4.140 4.140 1.035 ! 4.426 C-1163-1459 

assign ((resid    15 and name     HB*))   ((resid    17 and name    HG1#))      2.625 2.625 0.656 ! 2.21 C-1161-1462 

assign ((resid    15 and name     HB*))   ((resid    17 and name    HG2#))      4.613 4.613 1.153 ! 3.659 C-0719-0892 

assign ((resid    15 and name     HB*))   ((resid    17 and name    HG1#))      2.967 2.967 0.742 ! 3.655 C-0713-0886 

assign ((resid    15 and name     HB*))   ((resid    17 and name    HG2#))      4.714 4.714 1.179 ! 4.704 C-0708-0891 

assign ((resid    15 and name     HB*))   ((resid    17 and name    HG2#))      4.379 4.379 1.095 ! 4.704 C-1540-2006 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    26 and name      HA))      3.863 3.863 0.966 ! 4.944 C-0645-0735 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    26 and name      HA))      4.297 4.297 1.074 ! 3.755 C-0735-0918 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#) or 
        (resid    43 and name     HD*))   ((resid    26 and name      HA))      4.482 4.482 1.121 ! 3.73258 D-0483-1202 D-0484-1202 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#) or 
        (resid    43 and name     HD*))   ((resid    26 and name      HB))      4.959 4.959 1.240 ! 4.41233 D-0061-0240 D-0062-0240 

assign ((resid    15 and name     HB*))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      4.461 4.461 1.115 ! 3.96702 C-0366-0394 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    29 and name     HB1))      3.744 3.744 0.936 ! 2.779 C-0653-0745 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      4.273 4.273 1.068 ! 3.51895 C-0359-0390 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      4.461 4.461 1.115 ! 3.51895 C-0649-0732 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#) or 
        (resid    43 and name     HD*))   ((resid    29 and name      HA))      4.069 4.069 1.017 ! 5.59758 D-0552-1210 D-0553-1210 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#) or 
        (resid    43 and name     HD*))   ((resid    29 and name     HB1))      2.831 2.831 0.708 ! 4.0378 D-0490-1218 D-0491-1218 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      4.815 4.815 1.204 ! 3.57014 C-0369-0397 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      4.165 4.165 1.041 ! 3.57014 C-0947-1220 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#) or 
        (resid    43 and name     HD*))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      3.724 3.724 0.931 ! 3.5627 D-0481-1195 D-0482-1195 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#) or 
        (resid    43 and name     HD*))   ((resid    29 and name     HG1) or 
                                           (resid    29 and name     HG2))      4.004 4.004 1.001 ! 4.79288 D-0560-1200 D-0561-1200 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    30 and name    HD1#))      2.789 2.789 0.697 ! 3.951 C-0651-0742 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      3.047 3.047 0.762 ! 2.54292 C-0153-0192 

!assign ((resid    15 and name    HD1#))   ((resid    30 and name    HG11) or 
!                                           (resid    30 and name    HG12))        3.486 3.486 0.872  ! 2.54292 C-0216-0193 

!assign ((resid    15 and name    HD1#))   ((resid    30 and name    HG11) or 
!                                           (resid    30 and name    HG12))        3.744 3.744 0.936  ! 2.54292 C-0650-0730 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    30 and name      HN))      4.078 4.078 1.020 ! 3.729 A-0219-0258 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    30 and name      HA))      3.101 3.101 0.775 ! 3.959 C-0913-1161 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    30 and name      HA))      3.143 3.143 0.786 ! 3.959 C-0946-1222 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#) or 
        (resid    43 and name     HD*))   ((resid    30 and name      HB))      4.562 4.562 1.141 ! 4.15562 D-0538-1213 D-0539-1213 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#) or 
        (resid    43 and name     HD*))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      3.287 3.287 0.822 ! 2.00807 D-0053-0199 D-0054-0199 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#) or 
        (resid    43 and name     HD*))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      3.408 3.408 0.852 ! 2.00807 D-0548-1192 D-0549-1192 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#) or 
        (resid    43 and name     HD*))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      3.612 3.612 0.903 ! 2.00807 D-0550-1193 D-0551-1193 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#) or 
        (resid    43 and name     HD*))   ((resid    30 and name      HN))      4.201 4.201 1.050 ! 3.91567 B-0088-0260 B-0089-0260 

assign ((resid    15 and name      HG))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      4.691 4.691 1.173 ! 3.97088 C-0166-0195 

assign ((resid    15 and name      HG) or 
        (resid    36 and name    HG11) or 
        (resid    36 and name    HG12))   ((resid    30 and name    HG2#))      4.013 4.013 1.003 ! 3.71665 D-0229-0788 D-0230-0788 

assign ((resid    15 and name      HA))   ((resid    33 and name     HE1) or 
                                           (resid    33 and name     HE2))      4.033 4.033 1.008 ! 3.32519 C-0080-0095 

assign ((resid    15 and name      HA))   ((resid    33 and name     HE1) or 
                                           (resid    33 and name     HE2))      4.621 4.621 1.155 ! 3.32519 C-1201-1669 

assign ((resid    15 and name      HA))   ((resid    33 and name     HE1) or 
                                           (resid    33 and name     HE2))      4.493 4.493 1.123 ! 3.32519 C-1281-1670 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    33 and name     HD1) or 
                                           (resid    33 and name     HD2))      3.400 3.400 0.850 ! 4.83348 C-0430-0505 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#) or 
        (resid    43 and name     HD*))   ((resid    33 and name     HD1) or 
                                           (resid    33 and name     HD2))      2.939 2.939 0.735 ! 4.80192 D-0556-1196 D-0557-1196 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    33 and name     HE1) or 
                                           (resid    33 and name     HE2))      3.439 3.439 0.860 ! 5.07706 C-1280-1673 

assign ((resid    15 and name    HD1#) or 
        (resid    15 and name    HD2#))   ((resid    33 and name     HE1) or 
                                           (resid    33 and name     HE2))      3.541 3.541 0.885 ! 5.07706 C-1283-1674 

!*****assign ((resid    15 and name    HD*) or 
!*****        (resid    43 and name    HD*))   ((resid    43 and name    HD*) or 
!*****                                          (resid    15 and name    HD*))        0.776 0.776 0.194  ! 4.395 D-0480-1205 D-0479-1205 

!assign ((resid    15 and name     HD*) or 
!        (resid    43 and name     HD*))   ((resid    43 and name      HG))      2.547 2.547 0.637 ! 2.10864 D-0477-1197 D-0478-1197 

!assign ((resid    16 and name      HA))   ((resid    16 and name     HB*))      2.610 2.610 0.652 ! 2.528 C-0399-0463 

!assign ((resid    16 and name      HA))   ((resid    16 and name     HB*))      2.676 2.676 0.669 ! 2.994 C-0401-0464 

assign ((resid    16 and name      HA))   ((resid    16 and name     HG1) or 
                                           (resid    16 and name     HG2))      3.351 3.351 0.838 ! 2.25559 C-2182-2772 

assign ((resid    16 and name      HA))   ((resid    16 and name     HG1) or 
                                           (resid    16 and name     HG2))      3.462 3.462 0.866 ! 2.25559 C-2191-2773 

assign ((resid    16 and name      HA))   ((resid    16 and name      HN))      3.207 0.802 0.802 ! 2.998 A-0149-0181 

!assign ((resid    16 and name     HB*))   ((resid    16 and name     HG1) or 
!                                           (resid    16 and name     HG2))      2.344 2.344 0.586 ! 2.41084 C-2192-2771 

assign ((resid    16 and name     HB*) or 
        (resid    16 and name     HB*))   ((resid    16 and name      HN))      2.684 2.684 0.671 ! 2.51789 B-0201-0183 B-0202-0183 

assign ((resid    16 and name     HG1) or 
        (resid    16 and name     HG2))   ((resid    16 and name      HA))      3.215 3.215 0.804 ! 2.25559 C-2272-2952 

!assign ((resid    16 and name     HG1) or 
!        (resid    16 and name     HG2))   ((resid    16 and name     HB*))      2.406 2.406 0.602 ! 2.29218 C-0402-0461 

assign ((resid    16 and name     HG1) or 
        (resid    16 and name     HG2))   ((resid    16 and name      HN))      4.043 4.043 1.011 ! 3.11322 A-0146-0179 

assign ((resid    16 and name     HG1) or 
        (resid    16 and name     HG2))   ((resid    16 and name      HN))      4.270 4.270 1.067 ! 3.11322 A-0144-0180 

assign ((resid    16 and name      HA))   ((resid    17 and name      HA))      4.047 1.012 1.012 ! 4.397 C-1862-2422 

assign ((resid    16 and name      HA))   ((resid    17 and name      HA))      4.934 1.234 1.234 ! 4.397 C-2270-2951 

assign ((resid    16 and name      HA))   ((resid    17 and name    HG1#))      3.847 3.847 0.962 ! 3.825 C-1156-1468 

assign ((resid    16 and name      HA))   ((resid    17 and name    HG2#))      3.832 3.832 0.958 ! 3.564 C-1525-2022 

assign ((resid    16 and name      HA))   ((resid    17 and name    HG2#))      3.691 3.691 0.923 ! 3.564 C-2268-2950 

assign ((resid    16 and name      HA))   ((resid    17 and name      HN))      2.078 0.519 0.519 ! 2.054 A-0353-0425 

assign ((resid    16 and name     HB*) or 
        (resid    16 and name     HB*))   ((resid    17 and name      HN))      3.845 3.845 0.961 ! 3.25411 B-0143-0426 B-0142-0426 

assign ((resid    16 and name     HG1) or 
        (resid    16 and name     HG2))   ((resid    17 and name      HN))      4.137 4.137 1.034 ! 3.92352 A-0352-0424 

assign ((resid    16 and name      HN))   ((resid    17 and name    HG1#))      4.078 4.078 1.020 ! 3.677 A-0145-0187 

assign ((resid    16 and name     HG1) or 
        (resid    16 and name     HG2) or 
        (resid    18 and name     HG1) or 
        (resid    18 and name     HG2))   ((resid    18 and name      HN))      3.498 3.498 0.875 ! 3.12634 B-0120-0350 B-0119-0350 

assign ((resid    16 and name     HG1) or 
        (resid    16 and name     HG2) or 
        (resid    34 and name     HG1) or 
        (resid    34 and name     HG2))   ((resid    30 and name    HD1#))      4.931 4.931 1.233 ! 5.14142 D-1037-2573 D-1038-2573 

!assign ((resid    16 and name     HG1) or 
!        (resid    16 and name     HG2))   ((resid    33 and name     HD1) or 
!                                           (resid    33 and name     HD2))        4.891 4.891 1.223  ! 7.17032 C-0434-0510 

!assign ((resid    17 and name      HA))   ((resid    17 and name      HB))      2.087 0.522 0.522 ! 2.493 C-1999-2536 

assign ((resid    17 and name      HA))   ((resid    17 and name    HG2#))      2.848 2.848 0.712 ! 3.21 C-1535-2017 

assign ((resid    17 and name      HA))   ((resid    17 and name      HN))      3.043 0.761 0.761 ! 2.943 A-0351-0429 

!assign ((resid    17 and name      HB))   ((resid    17 and name      HA))      2.098 0.524 0.524 ! 2.493 C-1867-2421 

!assign ((resid    17 and name      HB))   ((resid    17 and name    HG2#))      2.087 2.087 0.522 ! 2.07 C-1542-2019 

assign ((resid    17 and name    HG1#))   ((resid    17 and name      HA))      2.098 2.098 0.524 ! 2.414 C-1864-2418 

!assign ((resid    17 and name    HG1#))   ((resid    17 and name      HB))      2.058 2.058 0.514 ! 2.102 C-2000-2531 

!*****assign ((resid    17 and name    HG1#))   ((resid    17 and name    HG2#))       1.952 0.488 0.488  ! 2.105 C-1532-2011 

assign ((resid    17 and name    HG1#))   ((resid    17 and name      HN))      3.108 3.108 0.777 ! 3.12 A-0350-0427 

assign ((resid    17 and name    HG2#))   ((resid    17 and name      HA))      3.077 3.077 0.769 ! 3.21 C-1866-2420 

!assign ((resid    17 and name    HG2#))   ((resid    17 and name      HB))      2.125 2.125 0.531 ! 2.07 C-1996-2535 

assign ((resid    17 and name    HG2#))   ((resid    17 and name      HN))      2.335 2.335 0.584 ! 2.171 A-0349-0428 

assign ((resid    17 and name      HA))   ((resid    18 and name     HG1) or 
                                           (resid    18 and name     HG2))      4.668 4.668 1.167 ! 3.91367 C-2278-2914 

assign ((resid    17 and name      HA))   ((resid    18 and name     HG1) or 
                                           (resid    18 and name     HG2))      4.840 4.840 1.210 ! 3.91367 C-2245-2915 

assign ((resid    17 and name      HA))   ((resid    18 and name      HN))      2.219 0.555 0.555 ! 2.303 A-0278-0359 

assign ((resid    17 and name      HB))   ((resid    18 and name      HA))      4.823 1.206 1.206 ! 4.384 C-0073-0104 

assign ((resid    17 and name      HB))   ((resid    18 and name      HN))      2.318 0.580 0.580 ! 2.212 A-0284-0360 

assign ((resid    17 and name    HG1#))   ((resid    18 and name      HN))      3.304 3.304 0.826 ! 3.559 A-0282-0356 

assign ((resid    17 and name    HG2#))   ((resid    18 and name      HA))      3.922 3.922 0.981 ! 3.672 C-0088-0102 

assign ((resid    17 and name    HG2#))   ((resid    18 and name      HA))      4.164 4.164 1.041 ! 3.672 C-1538-2001 

assign ((resid    17 and name    HG2#))   ((resid    18 and name      HN))      3.388 3.388 0.847 ! 3.207 A-0283-0358 

assign ((resid    17 and name    HG2#))   ((resid    19 and name      HA))      4.555 4.555 1.139 ! 4.271 C-0958-1239 

assign ((resid    17 and name    HG2#))   ((resid    19 and name      HA))      4.847 4.847 1.212 ! 4.271 C-1489-2009 

assign ((resid    17 and name      HA))   ((resid    21 and name     HB2))      4.959 1.240 1.240 ! 4.709 C-1445-1919 

assign ((resid    17 and name      HB))   ((resid    21 and name     HB1) or 
                                           (resid    52 and name     HB2))      3.787 3.787 0.947 ! 4.15967 D-0852-1903 D-0853-1903 

assign ((resid    17 and name      HB))   ((resid    21 and name     HB1) or 
                                           (resid    52 and name     HB2))      4.232 4.232 1.058 ! 4.15967 D-1029-2533 D-1030-2533 

assign ((resid    17 and name      HB))   ((resid    21 and name     HB2))      3.400 0.850 0.850 ! 3.11 C-1442-1920 

assign ((resid    17 and name      HB))   ((resid    21 and name     HB2))      3.562 0.890 0.890 ! 3.11 C-1995-2534 

assign ((resid    17 and name    HG1#))   ((resid    21 and name     HB1))      4.672 4.672 1.168 ! 4.223 C-1102-1465 

assign ((resid    17 and name    HG1#))   ((resid    21 and name     HB2))      4.579 4.579 1.145 ! 3.978 C-1447-1914 

assign ((resid    17 and name    HG2#))   ((resid    21 and name     HB2))      4.531 4.531 1.133 ! 4.24 C-1446-1916 

assign ((resid    17 and name    HG2#))   ((resid    21 and name     HB2))      4.853 4.853 1.213 ! 4.24 C-1537-2013 

assign ((resid    17 and name      HA))   ((resid    26 and name    HG2#))      4.423 4.423 1.106 ! 4.985 C-1004-1311 

assign ((resid    17 and name      HA))   ((resid    26 and name    HG2#))      4.283 4.283 1.071 ! 4.985 C-1865-2417 

assign ((resid    17 and name      HB))   ((resid    26 and name    HG2#))      3.439 3.439 0.860 ! 3.503 C-1007-1312 

assign ((resid    17 and name      HB))   ((resid    26 and name    HG2#))      3.717 3.717 0.929 ! 3.503 C-1998-2530 

assign ((resid    17 and name    HG2#))   ((resid    26 and name    HG2#))      3.343 3.343 0.836 ! 3.546 C-0994-1305 

assign ((resid    17 and name    HG2#))   ((resid    26 and name    HG2#))      3.584 3.584 0.896 ! 3.546 C-1527-2010 

assign ((resid    17 and name      HA))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      4.907 4.907 1.227 ! 4.10834 C-0362-0405 

assign ((resid    17 and name      HA))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      4.888 4.888 1.222 ! 4.10834 C-0303-0406 

assign ((resid    17 and name      HA))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      4.163 4.163 1.041 ! 4.10834 C-1861-2415 

assign ((resid    17 and name      HA))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      3.120 3.120 0.780 ! 3.03412 C-1194-1586 

assign ((resid    17 and name      HA))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      3.691 3.691 0.923 ! 3.03412 C-1207-1587 

assign ((resid    17 and name      HA))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      3.109 3.109 0.777 ! 3.03412 C-1868-2419 

assign ((resid    17 and name      HB))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      4.883 4.883 1.221 ! 3.99237 C-1191-1588 

assign ((resid    17 and name      HB))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      4.684 4.684 1.171 ! 3.99237 C-1994-2532 

assign ((resid    17 and name    HG1#))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      3.151 3.151 0.788 ! 2.31171 C-0371-0399 

assign ((resid    17 and name    HG1#))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      3.283 3.283 0.821 ! 2.31171 C-1158-1460 

assign ((resid    17 and name    HG1#))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      2.989 2.989 0.747 ! 2.31171 C-1157-1461 

assign ((resid    17 and name    HG1#))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      3.779 3.779 0.945 ! 2.47386 C-1162-1464 

assign ((resid    17 and name    HG1#))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      3.472 3.472 0.868 ! 2.47386 C-1210-1582 

assign ((resid    17 and name    HG1#))   ((resid    29 and name     HG1) or 
                                           (resid    29 and name     HG2))      4.411 4.411 1.103 ! 4.12136 C-0693-0864 

assign ((resid    17 and name      HB) or 
        (resid    30 and name      HB))   ((resid    30 and name      HN))      2.583 2.583 0.646 ! 2.48485 B-0090-0265 B-0091-0265 

assign ((resid    17 and name      HA))   ((resid    56 and name     HD*))      4.122 4.122 1.030 ! 4.455 C-0640-0836 

assign ((resid    17 and name      HA))   ((resid    56 and name     HD*))      3.653 3.653 0.913 ! 4.455 C-1863-2416 

assign ((resid    17 and name      HB))   ((resid    56 and name     HD*))      2.532 2.532 0.633 ! 2.392 C-0671-0838 

assign ((resid    17 and name      HB))   ((resid    56 and name     HD*))      2.617 2.617 0.654 ! 2.392 C-1997-2529 

assign ((resid    17 and name      HB))   ((resid    56 and name      HG))      4.339 1.085 1.085 ! 4.561 C-0626-0819 

assign ((resid    17 and name    HG1#))   ((resid    56 and name      HG))      4.319 4.319 1.080 ! 4.743 C-0617-0809 

assign ((resid    17 and name    HG2#))   ((resid    56 and name     HD*))      2.191 2.191 0.548 ! 2.091 C-0666-0832 

assign ((resid    17 and name    HG2#))   ((resid    56 and name     HD*))      2.210 2.210 0.552 ! 2.091 C-1534-2005 

assign ((resid    17 and name    HG2#))   ((resid    56 and name     HD*))      3.624 3.624 0.906 ! 3.679 C-1047-1387 

assign ((resid    17 and name    HG2#))   ((resid    56 and name      HG))      3.809 3.809 0.952 ! 4.458 C-0656-0814 

!assign ((resid    17 and name    HG2#))   ((resid    57 and name      HA))       4.896 1.224 1.224  ! 7.571 C-1500-1977 

assign ((resid    17 and name    HG2#))   ((resid    63 and name      HA))      4.973 4.973 1.243 ! 5.086 C-1529-2018 

assign ((resid    17 and name      HB) or 
        (resid    64 and name     HG1) or 
        (resid    64 and name     HG2))   ((resid    64 and name      HN))      3.450 3.450 0.863 ! 2.66192 B-0223-0510 B-0224-0510 

!assign ((resid    18 and name      HA))   ((resid    18 and name     HB1))      2.730 0.682 0.682 ! 2.531 C-0281-0334 

!assign ((resid    18 and name      HA))   ((resid    18 and name     HB2))      2.811 0.703 0.703 ! 3.003 C-0302-0335 

assign ((resid    18 and name      HA))   ((resid    18 and name     HG1) or 
                                           (resid    18 and name     HG2))      3.335 3.335 0.834 ! 2.92912 C-2279-2904 

assign ((resid    18 and name      HA))   ((resid    18 and name     HG1) or 
                                           (resid    18 and name     HG2))      3.491 3.491 0.873 ! 2.92912 C-2284-2905 

assign ((resid    18 and name      HA))   ((resid    18 and name      HN))      3.157 0.789 0.789 ! 2.955 A-0285-0352 

!assign ((resid    18 and name     HB1))   ((resid    18 and name      HA))      2.534 0.633 0.633 ! 2.531 C-0087-0097 

!*****assign ((resid    18 and name     HB1))   ((resid    18 and name     HB2))       1.767 0.442 0.442  ! 1.763 C-0299-0337 

!assign ((resid    18 and name     HB1))   ((resid    18 and name     HG1) or 
!                                           (resid    18 and name     HG2))      2.424 2.424 0.606 ! 2.29733 C-2282-2906 

!assign ((resid    18 and name     HB1))   ((resid    18 and name     HG1) or 
!                                           (resid    18 and name     HG2))      2.358 2.358 0.590 ! 2.29733 C-2285-2908 

assign ((resid    18 and name     HB1))   ((resid    18 and name      HN))      3.662 0.915 0.915 ! 3.678 A-0280-0353 

!assign ((resid    18 and name     HB2))   ((resid    18 and name      HA))      2.805 0.701 0.701 ! 3.003 C-0086-0098 

!*****assign ((resid    18 and name     HB2))   ((resid    18 and name     HB1))       1.755 0.439 0.439  ! 1.763 C-0280-0336 

!assign ((resid    18 and name     HB2))   ((resid    18 and name     HG1) or 
!                                           (resid    18 and name     HG2))      2.563 2.563 0.641 ! 2.1472 C-2281-2907 

!assign ((resid    18 and name     HB2))   ((resid    18 and name     HG1) or 
!                                           (resid    18 and name     HG2))      2.580 2.580 0.645 ! 2.1472 C-2286-2909 

assign ((resid    18 and name     HB2))   ((resid    18 and name      HN))      2.909 0.727 0.727 ! 2.484 A-0279-0354 

assign ((resid    18 and name     HG1) or 
        (resid    18 and name     HG2))   ((resid    18 and name      HA))      3.131 3.131 0.783 ! 2.92912 C-0084-0105 

!assign ((resid    18 and name     HG1) or 
!        (resid    18 and name     HG2))   ((resid    18 and name     HB1))      2.329 2.329 0.582 ! 2.29733 C-0282-0342 

assign ((resid    18 and name     HG1) or 
        (resid    18 and name     HG2))   ((resid    18 and name      HN))      4.217 4.217 1.054 ! 3.12902 A-0277-0351 

assign ((resid    18 and name      HA))   ((resid    19 and name      HA))      4.806 1.202 1.202 ! 4.479 C-0960-1225 

assign ((resid    18 and name      HA))   ((resid    19 and name     HB2))      4.870 1.218 1.218 ! 5.069 C-0109-0108 

assign ((resid    18 and name      HA))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      2.404 2.404 0.601 ! 1.89044 C-0083-0099 

assign ((resid    18 and name      HA))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      2.022 2.022 0.505 ! 1.89044 C-0082-0100 

assign ((resid    18 and name      HA))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      2.246 2.246 0.561 ! 1.89044 C-0335-0409 

assign ((resid    18 and name      HA))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      2.048 2.048 0.512 ! 1.89044 C-0348-0410 

assign ((resid    18 and name      HA))   ((resid    19 and name     HG1) or 
                                           (resid    19 and name     HG2))      3.985 3.985 0.996 ! 3.83488 C-0493-0573 

assign ((resid    18 and name      HA))   ((resid    19 and name     HG1) or 
                                           (resid    19 and name     HG2))      4.236 4.236 1.059 ! 3.83488 C-0499-0574 

assign ((resid    18 and name     HB1))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      2.969 2.969 0.742 ! 2.57538 C-0283-0338 

assign ((resid    18 and name     HB1))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      3.458 3.458 0.865 ! 2.57538 C-0284-0339 

assign ((resid    18 and name     HB1))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      2.726 2.726 0.681 ! 2.57538 C-0339-0414 

assign ((resid    18 and name     HB1))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      3.052 3.052 0.763 ! 2.57538 C-0350-0416 

assign ((resid    18 and name     HB2))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      3.343 3.343 0.836 ! 3.86694 C-0301-0340 

assign ((resid    18 and name     HB2))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      4.127 4.127 1.032 ! 3.86694 C-0300-0341 

assign ((resid    18 and name     HB2))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      3.320 3.320 0.830 ! 3.86694 C-0342-0415 

assign ((resid    18 and name     HB2))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      3.832 3.832 0.958 ! 3.86694 C-0355-0417 

assign ((resid    18 and name     HG1) or 
        (resid    18 and name     HG2))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      4.712 4.712 1.178 ! 3.85731 C-0345-0429 

assign ((resid    18 and name     HG1) or 
        (resid    18 and name     HG2))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      4.285 4.285 1.071 ! 3.85731 C-2280-2910 

assign ((resid    18 and name     HG1) or 
        (resid    18 and name     HG2))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      4.674 4.674 1.169 ! 3.85731 C-2236-2911 

assign ((resid    18 and name     HG1) or 
        (resid    18 and name     HG2))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      4.664 4.664 1.166 ! 3.85731 C-2283-2912 

assign ((resid    18 and name      HA))   ((resid    20 and name      HN))      4.145 1.036 1.036 ! 3.917 A-0081-0086 

assign ((resid    18 and name     HB1))   ((resid    20 and name      HN))      2.967 0.742 0.742 ! 2.379 A-0074-0090 

assign ((resid    18 and name     HB2))   ((resid    20 and name      HN))      3.284 0.821 0.821 ! 3.257 A-0079-0091 

assign ((resid    18 and name     HG1) or 
        (resid    18 and name     HG2))   ((resid    20 and name      HN))      4.448 4.448 1.112 ! 4.35419 A-0071-0085 

assign ((resid    18 and name     HB1))   ((resid    21 and name      HN))      4.114 1.028 1.028 ! 3.717 A-0085-0119 

assign ((resid    18 and name     HB2))   ((resid    21 and name      HN))      3.426 0.857 0.857 ! 3.263 A-0084-0120 

assign ((resid    18 and name      HN))   ((resid    21 and name     HB2))      3.666 0.916 0.916 ! 3.131 A-0286-0357 

assign ((resid    18 and name      HN))   ((resid    56 and name     HD*))      4.217 4.217 1.054 ! 3.476 A-0281-0355 

!assign ((resid    19 and name      HA))   ((resid    19 and name     HB1))      2.288 0.572 0.572 ! 2.372 C-0094-0114 

!assign ((resid    19 and name      HA))   ((resid    19 and name     HB2))      2.811 0.703 0.703 ! 3.031 C-0108-0115 

assign ((resid    19 and name      HA))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      4.339 4.339 1.085 ! 3.41468 C-0344-0425 

assign ((resid    19 and name      HA))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      4.004 4.004 1.001 ! 3.41468 C-0349-0426 

assign ((resid    19 and name      HA))   ((resid    19 and name     HG1) or 
                                           (resid    19 and name     HG2))      3.305 3.305 0.826 ! 2.77601 C-0491-0582 

assign ((resid    19 and name      HA))   ((resid    19 and name     HG1) or 
                                           (resid    19 and name     HG2))      3.320 3.320 0.830 ! 2.77601 C-0495-0583 

!assign ((resid    19 and name     HB1))   ((resid    19 and name      HA))      2.200 0.550 0.550 ! 2.372 C-0951-1226 

assign ((resid    19 and name     HB1))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      3.666 3.666 0.916 ! 3.54374 C-0343-0411 

!assign ((resid    19 and name     HB1))   ((resid    19 and name     HG1) or 
!                                           (resid    19 and name     HG2))      2.268 2.268 0.567 ! 2.20771 C-0490-0575 

!assign ((resid    19 and name     HB1))   ((resid    19 and name     HG1) or 
!                                           (resid    19 and name     HG2))      2.155 2.155 0.539 ! 2.20771 C-0496-0577 

!assign ((resid    19 and name     HB2))   ((resid    19 and name      HA))      2.841 0.710 0.710 ! 3.031 C-0957-1227 

assign ((resid    19 and name     HB2))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      3.259 3.259 0.815 ! 2.69052 C-0338-0412 

assign ((resid    19 and name     HB2))   ((resid    19 and name     HD1) or 
                                           (resid    19 and name     HD2))      3.505 3.505 0.876 ! 2.69052 C-0354-0413 

!assign ((resid    19 and name     HB2))   ((resid    19 and name     HG1) or 
!                                           (resid    19 and name     HG2))      2.129 2.129 0.532 ! 2.29739 C-0489-0576 

!assign ((resid    19 and name     HB2))   ((resid    19 and name     HG1) or 
!                                           (resid    19 and name     HG2))      1.917 1.917 0.479 ! 2.29739 C-0497-0578 

assign ((resid    19 and name     HD1) or 
        (resid    19 and name     HD2))   ((resid    19 and name      HA))      4.176 4.176 1.044 ! 3.41468 C-0964-1229 

assign ((resid    19 and name     HD1) or 
        (resid    19 and name     HD2))   ((resid    19 and name      HA))      3.744 3.744 0.936 ! 3.41468 C-0961-1230 

assign ((resid    19 and name     HD1) or 
        (resid    19 and name     HD2))   ((resid    19 and name     HB1))      3.879 3.879 0.970 ! 3.54374 C-0099-0109 

assign ((resid    19 and name     HD1) or 
        (resid    19 and name     HD2))   ((resid    19 and name     HB2))      3.294 3.294 0.824 ! 2.69052 C-0110-0110 

assign ((resid    19 and name     HD1) or 
        (resid    19 and name     HD2))   ((resid    19 and name     HB2))      3.510 3.510 0.877 ! 2.69052 C-0111-0111 

!*****assign ((resid    19 and name     HD1) or 
!*****        (resid    19 and name     HD2))   ((resid    19 and name     HD2) or 
!*****                                           (resid    19 and name     HD1))        1.656 1.656 0.414  ! 1.764 C-0336-0418 

!*****assign ((resid    19 and name     HD1) or 
!*****        (resid    19 and name     HD2))   ((resid    19 and name     HD2) or 
!*****                                           (resid    19 and name     HD1))        1.699 1.699 0.425  ! 1.764 C-0347-0419 

!assign ((resid    19 and name     HD1) or 
!        (resid    19 and name     HD2))   ((resid    19 and name     HG1) or 
!                                           (resid    19 and name     HG2))      2.696 2.696 0.674 ! 2.04572 C-0492-0579 

!**assign ((resid    19 and name     HD1) or 
!**        (resid    19 and name     HD2))   ((resid    19 and name     HG1) or 
!**                                           (resid    19 and name     HG2))        2.969 2.969 0.742  ! 2.04572 C-0500-0580 

!assign ((resid    19 and name     HD1) or 
!        (resid    19 and name     HD2))   ((resid    19 and name     HG1) or 
!                                           (resid    19 and name     HG2))      2.693 2.693 0.673 ! 2.04572 C-0501-0581 

assign ((resid    19 and name     HG1) or 
        (resid    19 and name     HG2))   ((resid    19 and name      HA))      3.567 3.567 0.892 ! 2.77601 C-0956-1231 

assign ((resid    19 and name     HG1) or 
        (resid    19 and name     HG2))   ((resid    19 and name      HA))      3.025 3.025 0.756 ! 2.77601 C-0955-1232 

!assign ((resid    19 and name     HG1) or 
!        (resid    19 and name     HG2) or 
!        (resid    24 and name     HB1) or 
!        (resid    24 and name     HB2) or 
!        (resid    37 and name     HG1) or 
!        (resid    37 and name     HG2))   ((resid    19 and name     HB1) or 
!                                           (resid    37 and name     HB*) or 
!                                           (resid    37 and name     HB*))      1.994 1.994 0.498 ! 1.86832 D-0032-0112 D-0033-0112 D-0031-0112 D-0030-0112 

!assign ((resid    19 and name     HG1) or 
!        (resid    19 and name     HG2))   ((resid    19 and name     HB2))      2.236 2.236 0.559 ! 2.29739 C-0107-0113 

!assign ((resid    19 and name     HG1) or 
!        (resid    19 and name     HG2))   ((resid    19 and name     HD1) or 
!                                           (resid    19 and name     HD2))      2.687 2.687 0.672 ! 2.04572 C-0337-0421 

!assign ((resid    19 and name     HG1) or 
!        (resid    19 and name     HG2))   ((resid    19 and name     HD1) or 
!                                           (resid    19 and name     HD2))        2.902 2.902 0.726  ! 2.04572 C-0340-0422 

!assign ((resid    19 and name     HG1) or 
!        (resid    19 and name     HG2))   ((resid    19 and name     HD1) or 
!                                           (resid    19 and name     HD2))        2.814 2.814 0.704  ! 2.04572 C-0353-0423 

!assign ((resid    19 and name     HG1) or 
!        (resid    19 and name     HG2))   ((resid    19 and name     HD1) or 
!                                           (resid    19 and name     HD2))        2.716 2.716 0.679  ! 2.04572 C-0351-0424 

assign ((resid    19 and name      HA))   ((resid    20 and name      HN))      3.718 0.929 0.929 ! 3.477 A-0073-0093 

assign ((resid    19 and name     HB2))   ((resid    20 and name      HN))      3.314 0.829 0.829 ! 3.016 A-0078-0087 

assign ((resid    19 and name     HD1) or 
        (resid    19 and name     HD2))   ((resid    20 and name      HN))      3.209 3.209 0.802 ! 2.75758 A-0082-0088 

assign ((resid    19 and name     HD1) or 
        (resid    19 and name     HD2))   ((resid    20 and name      HN))      4.137 4.137 1.034 ! 2.75758 A-0080-0089 

assign ((resid    19 and name     HG1) or 
        (resid    19 and name     HG2))   ((resid    20 and name      HN))      3.769 3.769 0.942 ! 4.08344 A-0077-0092 

assign ((resid    19 and name      HA))   ((resid    21 and name      HN))      3.971 0.993 0.993 ! 3.691 A-0107-0122 

assign ((resid    19 and name      HA))   ((resid    56 and name      HA))      4.119 1.030 1.030 ! 4.889 C-1830-2391 

assign ((resid    19 and name      HA))   ((resid    56 and name     HB1))      3.035 0.759 0.759 ! 3.162 C-0963-1238 

assign ((resid    19 and name      HA))   ((resid    56 and name     HB1))      3.184 0.796 0.796 ! 3.162 C-1518-1984 

assign ((resid    19 and name      HA))   ((resid    56 and name     HB2))      2.442 0.611 0.611 ! 1.986 C-0962-1237 

assign ((resid    19 and name      HA))   ((resid    56 and name     HB2))      2.645 0.661 0.661 ! 1.986 C-1513-1983 

assign ((resid    19 and name      HA))   ((resid    56 and name     HD*))      3.294 3.294 0.824 ! 2.921 C-0665-0825 

assign ((resid    19 and name      HA))   ((resid    56 and name     HD*))      3.166 3.166 0.791 ! 2.921 C-0953-1234 

assign ((resid    19 and name      HA))   ((resid    56 and name      HG))      4.448 1.112 1.112 ! 4.057 C-0620-0806 

assign ((resid    19 and name      HA))   ((resid    56 and name      HG))      4.503 1.126 1.126 ! 4.057 C-0950-1233 

assign ((resid    19 and name     HB1))   ((resid    56 and name     HB2))      4.586 1.147 1.147 ! 3.799 C-0098-0120 

assign ((resid    19 and name      HA))   ((resid    57 and name     HB*))      3.985 3.985 0.996 ! 3.932 C-0952-1236 

assign ((resid    19 and name      HA))   ((resid    57 and name     HB*))      4.668 4.668 1.167 ! 3.932 C-1273-1720 

assign ((resid    19 and name      HA))   ((resid    57 and name     HB*))      4.732 4.732 1.183 ! 5.557 C-1269-1719 

assign ((resid    19 and name      HA))   ((resid    57 and name      HN))      3.485 0.871 0.871 ! 3.422 A-0446-0532 

assign ((resid    19 and name     HB1))   ((resid    57 and name      HA))      4.133 1.033 1.033 ! 3.215 C-0095-0118 

assign ((resid    19 and name     HB1))   ((resid    57 and name      HA))      4.110 1.028 1.028 ! 3.215 C-1499-1974 

assign ((resid    19 and name     HB1))   ((resid    57 and name     HB*))      2.841 2.841 0.710 ! 2.475 C-0096-0116 

assign ((resid    19 and name     HB1))   ((resid    57 and name     HB*))      3.379 3.379 0.845 ! 2.475 C-1270-1715 

assign ((resid    19 and name     HB1))   ((resid    57 and name     HB*))      3.305 3.305 0.826 ! 3.897 C-1267-1713 

assign ((resid    19 and name     HB2))   ((resid    57 and name      HA))      4.967 1.242 1.242 ! 4.52 C-0112-0119 

assign ((resid    19 and name     HB2))   ((resid    57 and name     HB*))      3.190 3.190 0.797 ! 2.75 C-0106-0117 

assign ((resid    19 and name     HB2))   ((resid    57 and name     HB*))      3.730 3.730 0.932 ! 2.75 C-1272-1716 

assign ((resid    19 and name     HB2))   ((resid    57 and name     HB*))      3.832 3.832 0.958 ! 4.312 C-1265-1714 

assign ((resid    19 and name     HG1) or 
        (resid    19 and name     HG2))   ((resid    57 and name     HB*))      4.338 4.338 1.085 ! 4.2145 C-0494-0584 

assign ((resid    19 and name      HA))   ((resid    61 and name      HB))      4.820 1.205 1.205 ! 4.772 C-0949-1243 

!assign ((resid    20 and name      HA))   ((resid    20 and name     HB1))      2.072 0.518 0.518 ! 2.307 C-1168-1534 

!assign ((resid    20 and name      HA))   ((resid    20 and name     HB2))      2.044 0.511 0.511 ! 2.605 C-1166-1533 

assign ((resid    20 and name      HA))   ((resid    20 and name      HN))      2.942 0.736 0.736 ! 2.908 A-0075-0096 

!assign ((resid    20 and name     HB1))   ((resid    20 and name      HA))      2.065 0.516 0.516 ! 2.307 C-1949-2521 

!*******assign ((resid    20 and name     HB1))   ((resid    20 and name     HB2))       1.507 0.377 0.377  ! 1.763 C-1165-1531 

assign ((resid    20 and name     HB1))   ((resid    20 and name      HN))      2.762 0.691 0.691 ! 3.019 A-0076-0095 

!assign ((resid    20 and name     HB2))   ((resid    20 and name      HA))      2.051 0.513 0.513 ! 2.605 C-1947-2520 

!*******assign ((resid    20 and name     HB2))   ((resid    20 and name     HB1))       1.525 0.381 0.381  ! 1.763 C-1167-1532 

assign ((resid    20 and name     HB2))   ((resid    20 and name      HN))      3.246 0.811 0.811 ! 3.553 A-0072-0094 

assign ((resid    20 and name      HA))   ((resid    21 and name      HN))      3.441 0.860 0.860 ! 3.378 A-0108-0126 

assign ((resid    20 and name     HB1))   ((resid    21 and name      HN))      4.395 1.099 1.099 ! 4.468 A-0109-0123 

assign ((resid    20 and name      HA))   ((resid    55 and name      HA))      4.361 1.090 1.090 ! 5.152 C-1944-2522 

assign ((resid    20 and name      HA))   ((resid    55 and name      HB))      2.465 0.616 0.616 ! 2.835 C-0178-0233 

assign ((resid    20 and name      HA))   ((resid    55 and name      HB))      2.499 0.625 0.625 ! 2.835 C-1948-2517 

assign ((resid    20 and name      HA))   ((resid    55 and name    HG2#))      2.547 2.547 0.637 ! 3.11 C-1137-1475 

assign ((resid    20 and name      HA))   ((resid    55 and name    HG2#))      2.531 2.531 0.633 ! 3.11 C-1946-2519 

assign ((resid    20 and name     HB1))   ((resid    55 and name      HB))      4.526 1.131 1.131 ! 5.114 C-1169-1529 

assign ((resid    20 and name     HB1))   ((resid    55 and name    HG2#))      3.957 3.957 0.989 ! 4.579 C-1136-1472 

assign ((resid    20 and name     HB1))   ((resid    55 and name    HG2#))      3.737 3.737 0.934 ! 4.579 C-1170-1530 

assign ((resid    20 and name     HB2))   ((resid    55 and name      HB))      4.540 1.135 1.135 ! 4.922 C-0179-0228 

assign ((resid    20 and name     HB2))   ((resid    55 and name      HB))      4.865 1.216 1.216 ! 4.922 C-1164-1528 

assign ((resid    20 and name     HB2))   ((resid    55 and name    HG2#))      3.871 3.871 0.968 ! 4.036 C-1139-1471 

assign ((resid    20 and name      HA))   ((resid    57 and name      HN))      4.114 1.028 1.028 ! 3.946 A-0443-0540 

!assign ((resid    21 and name      HA))   ((resid    21 and name     HB1) or 
!                                           (resid    52 and name     HB2))      2.723 2.723 0.681 ! 2.63795 D-0841-1906 D-0842-1906 

!assign ((resid    21 and name      HA))   ((resid    21 and name     HB2))      2.870 0.718 0.718 ! 3.038 C-1444-1921 

assign ((resid    21 and name      HA))   ((resid    21 and name      HN))      2.762 0.691 0.691 ! 2.897 A-0088-0117 

!assign ((resid    21 and name     HB1) or 
!        (resid    52 and name     HB2))   ((resid    21 and name      HA))      2.517 2.517 0.629 ! 2.63795 D-1051-2744 D-1052-2744 

!*******assign ((resid    21 and name     HB1) or 
!*******        (resid    52 and name     HB2))   ((resid    21 and name     HB2))        1.838 1.838 0.460  ! 1.764 D-0829-1915 D-0830-1915 

assign ((resid    21 and name     HB1))   ((resid    21 and name      HN))      3.086 0.771 0.771 ! 3.585 A-0087-0125 

!assign ((resid    21 and name     HB2))   ((resid    21 and name      HA))      2.776 0.694 0.694 ! 3.038 C-2065-2745 

!*******assign ((resid    21 and name     HB2))   ((resid    21 and name     HB1) or 
!*******                                           (resid    52 and name     HB2))        1.832 1.832 0.458  ! 1.764 D-0837-1896 D-0838-1896 

assign ((resid    21 and name     HB2))   ((resid    21 and name      HN))      2.449 0.612 0.612 ! 2.296 A-0086-0124 

assign ((resid    21 and name      HA))   ((resid    22 and name    HG2#))      3.948 3.948 0.987 ! 3.708 C-1130-1489 

assign ((resid    21 and name      HA))   ((resid    22 and name      HN))      1.947 0.487 0.487 ! 2.22 A-0475-0567 

assign ((resid    21 and name     HB1) or 
        (resid    52 and name     HB2))   ((resid    22 and name      HN))      3.251 3.251 0.813 ! 2.94967 B-0178-0571 B-0179-0571 

assign ((resid    21 and name     HB2))   ((resid    22 and name      HN))      4.234 1.058 1.058 ! 4.117 A-0477-0572 

assign ((resid    21 and name     HB1) or 
        (resid    52 and name     HB2))   ((resid    24 and name     HB1) or 
                                           (resid    24 and name     HB2))      3.028 3.028 0.757 ! 4.15184 D-0833-1891 D-0834-1891 

assign ((resid    21 and name     HB1) or 
        (resid    52 and name     HB2))   ((resid    24 and name     HG1) or 
                                           (resid    24 and name     HG2))      4.794 4.794 1.198 ! 4.91071 D-0831-1908 D-0832-1908 

assign ((resid    21 and name      HA))   ((resid    25 and name     HB*))      4.127 4.127 1.032 ! 3.937 C-1799-2328 

assign ((resid    21 and name      HA))   ((resid    25 and name     HB*))      4.147 4.147 1.037 ! 3.937 C-2066-2747 

assign ((resid    21 and name      HA))   ((resid    25 and name     HB*))      4.070 4.070 1.018 ! 4.614 C-1793-2327 

assign ((resid    21 and name      HA))   ((resid    25 and name     HB*))      3.913 3.913 0.978 ! 4.614 C-2067-2746 

assign ((resid    21 and name     HB1) or 
        (resid    52 and name     HB2))   ((resid    25 and name     HB*))      3.589 3.589 0.897 ! 2.68083 D-0835-1902 D-0836-1902 

assign ((resid    21 and name     HB1) or 
        (resid    52 and name     HB2))   ((resid    25 and name     HB*))      3.430 3.430 0.858 ! 2.68083 D-0988-2321 D-0989-2321 

assign ((resid    21 and name     HB1) or 
        (resid    52 and name     HB2))   ((resid    25 and name     HB*))      3.219 3.219 0.805 ! 4.1802 D-0839-1901 D-0840-1901 

assign ((resid    21 and name     HB1) or 
        (resid    52 and name     HB2))   ((resid    25 and name     HB*))      3.181 3.181 0.795 ! 4.1802 D-0986-2320 D-0987-2320 

assign ((resid    21 and name     HB2))   ((resid    25 and name     HB*))      3.758 3.758 0.940 ! 5.909 C-1441-1918 

assign ((resid    21 and name     HB2))   ((resid    25 and name     HB*))      4.094 4.094 1.024 ! 5.909 C-1791-2322 

assign ((resid    21 and name      HA))   ((resid    26 and name    HG2#))      4.513 4.513 1.128 ! 5.054 C-0990-1316 

assign ((resid    21 and name     HB1) or 
        (resid    52 and name     HB2))   ((resid    26 and name    HG2#))      3.021 3.021 0.755 ! 2.91646 D-0587-1302 D-0588-1302 

assign ((resid    21 and name     HB1) or 
        (resid    52 and name     HB2))   ((resid    26 and name    HG2#))      3.172 3.172 0.793 ! 2.91646 D-0843-1893 D-0844-1893 

assign ((resid    21 and name     HB2))   ((resid    26 and name    HG2#))      3.215 3.215 0.804 ! 3.365 C-1010-1303 

assign ((resid    21 and name     HB2))   ((resid    26 and name    HG2#))      3.320 3.320 0.830 ! 3.365 C-1443-1912 

assign ((resid    21 and name      HA))   ((resid    55 and name    HG2#))      4.566 4.566 1.141 ! 4.105 C-1144-1476 

assign ((resid    21 and name      HN))   ((resid    55 and name      HB))      4.437 1.109 1.109 ! 4.112 A-0106-0118 

assign ((resid    21 and name     HB1) or 
        (resid    52 and name     HB2))   ((resid    56 and name     HD*))      3.520 3.520 0.880 ! 3.75418 D-0301-0828 D-0302-0828 

assign ((resid    21 and name     HB1) or 
        (resid    52 and name     HB2))   ((resid    56 and name     HD*))      3.541 3.541 0.885 ! 3.75418 D-0854-1892 D-0855-1892 

assign ((resid    21 and name     HB1) or 
        (resid    52 and name     HB2))   ((resid    56 and name      HG))      4.695 4.695 1.174 ! 3.88007 D-0169-0810 D-0170-0810 

assign ((resid    21 and name     HB2))   ((resid    56 and name     HD*))      3.000 3.000 0.750 ! 2.56 C-0670-0829 

assign ((resid    21 and name     HB2))   ((resid    56 and name     HD*))      3.166 3.166 0.791 ! 2.56 C-1468-1911 

assign ((resid    21 and name     HB2))   ((resid    56 and name      HG))      4.107 1.027 1.027 ! 3.114 C-0623-0811 

assign ((resid    21 and name     HB2))   ((resid    56 and name      HG))      4.237 1.059 1.059 ! 3.114 C-1467-1910 

assign ((resid    21 and name      HN))   ((resid    56 and name     HD*))      3.741 3.741 0.935 ! 3.501 A-0083-0121 

!assign ((resid    22 and name      HA))   ((resid    22 and name      HB))      2.065 0.516 0.516 ! 2.519 C-0377-0438 

assign ((resid    22 and name      HA))   ((resid    22 and name    HG2#))      2.105 2.105 0.526 ! 2.371 C-1127-1487 

assign ((resid    22 and name      HA))   ((resid    22 and name      HN))      3.108 0.777 0.777 ! 2.892 A-0473-0573 

!assign ((resid    22 and name      HB))   ((resid    22 and name      HA))      2.196 0.549 0.549 ! 2.519 C-1663-2151 

!assign ((resid    22 and name      HB))   ((resid    22 and name    HG2#))      1.905 1.905 0.476 ! 2.13 C-1128-1480 

assign ((resid    22 and name      HB))   ((resid    22 and name      HN))      4.029 1.007 1.007 ! 3.622 A-0472-0568 

assign ((resid    22 and name    HG2#))   ((resid    22 and name      HA))      2.155 2.155 0.539 ! 2.371 C-1665-2154 

!assign ((resid    22 and name    HG2#))   ((resid    22 and name      HB))      1.842 1.842 0.461 ! 2.13 C-0331-0434 

assign ((resid    22 and name    HG2#))   ((resid    22 and name      HN))      2.335 2.335 0.584 ! 2.411 A-0474-0570 

assign ((resid    22 and name      HA))   ((resid    23 and name      HA))      4.833 1.208 1.208 ! 4.378 C-1337-1831 

assign ((resid    22 and name      HA))   ((resid    23 and name    HD1#))      4.045 4.045 1.011 ! 4.063 C-0313-0362 

assign ((resid    22 and name      HA))   ((resid    23 and name    HD1#))      4.285 4.285 1.071 ! 4.063 C-1668-2150 

assign ((resid    22 and name      HA))   ((resid    23 and name    HG11) or 
                                           (resid    23 and name    HG12))      4.637 4.637 1.159 ! 3.66382 C-1662-2152 

assign ((resid    22 and name      HA))   ((resid    23 and name      HN))      2.331 0.583 0.583 ! 2.307 A-0201-0250 

assign ((resid    22 and name      HB))   ((resid    23 and name      HA))      4.987 1.247 1.247 ! 4.901 C-0333-0435 

assign ((resid    22 and name      HB))   ((resid    23 and name      HN))      2.723 0.681 0.681 ! 2.62 A-0198-0243 

assign ((resid    22 and name    HG2#))   ((resid    23 and name      HN))      3.674 3.674 0.918 ! 3.809 A-0197-0248 

assign ((resid    22 and name      HB))   ((resid    24 and name     HB1) or 
                                           (resid    24 and name     HB2))      3.541 3.541 0.885 ! 3.25234 C-0329-0432 

assign ((resid    22 and name      HB))   ((resid    24 and name     HB1) or 
                                           (resid    24 and name     HB2))      3.913 3.913 0.978 ! 3.25234 C-0461-0549 

assign ((resid    22 and name    HG2#))   ((resid    24 and name     HB1) or 
                                           (resid    24 and name     HB2))      4.596 4.596 1.149 ! 3.98523 C-0460-0552 

assign ((resid    22 and name    HG2#))   ((resid    24 and name     HB1) or 
                                           (resid    24 and name     HB2))      3.957 3.957 0.989 ! 3.98523 C-1124-1481 

assign ((resid    22 and name      HB))   ((resid    25 and name      HN))      4.036 1.009 1.009 ! 3.588 A-0225-0279 

assign ((resid    22 and name    HG2#))   ((resid    25 and name     HB*))      4.670 4.670 1.167 ! 4.204 C-1134-1488 

assign ((resid    22 and name    HG2#))   ((resid    25 and name      HN))      4.437 4.437 1.109 ! 4.257 A-0229-0282 

assign ((resid    22 and name      HN))   ((resid    25 and name     HB*))      3.423 3.423 0.856 ! 2.787 A-0476-0575 

assign ((resid    22 and name      HN))   ((resid    25 and name     HB*))      3.019 3.019 0.755 ! 3.336 A-0478-0574 

assign ((resid    22 and name      HB))   ((resid    53 and name     HA*))      3.966 3.966 0.992 ! 5.064 C-0334-0433 

assign ((resid    22 and name      HB))   ((resid    53 and name     HA*))      4.089 4.089 1.022 ! 5.064 C-0926-1183 

assign ((resid    22 and name      HB))   ((resid    53 and name     HA*))      4.693 4.693 1.173 ! 3.429 C-0931-1184 

assign ((resid    22 and name    HG2#))   ((resid    53 and name     HA*))      3.855 3.855 0.964 ! 4.939 C-0927-1186 

assign ((resid    22 and name    HG2#))   ((resid    53 and name     HA*))      3.939 3.939 0.985 ! 4.939 C-1133-1482 

assign ((resid    22 and name    HG2#))   ((resid    53 and name     HA*))      4.023 4.023 1.006 ! 3.645 C-0932-1187 

assign ((resid    22 and name    HG2#))   ((resid    53 and name     HA*))      4.609 4.609 1.152 ! 3.645 C-1132-1483 

assign ((resid    22 and name    HG2#))   ((resid    54 and name      HA))      4.498 4.498 1.125 ! 4.626 C-1125-1490 

assign ((resid    22 and name    HG2#))   ((resid    54 and name     HD1) or 
                                           (resid    54 and name     HD2))      4.945 4.945 1.236 ! 6.20707 C-1131-1485 

assign ((resid    22 and name      HA))   ((resid    55 and name      HA))      1.753 0.438 0.438 ! 1.879 C-1655-2148 

assign ((resid    22 and name      HA))   ((resid    55 and name      HA))      1.859 0.465 0.465 ! 1.879 C-1666-2155 

assign ((resid    22 and name      HA))   ((resid    55 and name      HB))      2.956 0.739 0.739 ! 3.949 C-0175-0232 

assign ((resid    22 and name      HA))   ((resid    55 and name      HB))      3.128 0.782 0.782 ! 3.949 C-1664-2149 

assign ((resid    22 and name      HA))   ((resid    55 and name    HG2#))      2.443 2.443 0.611 ! 3.071 C-1141-1474 

assign ((resid    22 and name      HB))   ((resid    55 and name      HA))      3.312 0.828 0.828 ! 4.223 C-0330-0437 

assign ((resid    22 and name      HB))   ((resid    55 and name      HA))      3.320 0.830 0.830 ! 4.223 C-1657-2142 

assign ((resid    22 and name      HB))   ((resid    55 and name    HG2#))      4.088 4.088 1.022 ! 4.353 C-1138-1470 

assign ((resid    22 and name    HG2#))   ((resid    55 and name      HA))      3.021 3.021 0.755 ! 3.367 C-1129-1486 

assign ((resid    22 and name    HG2#))   ((resid    55 and name      HA))      3.025 3.025 0.756 ! 3.367 C-1654-2146 

assign ((resid    22 and name    HG2#))   ((resid    55 and name      HB))      4.414 4.414 1.103 ! 4.328 C-1126-1478 

assign ((resid    22 and name      HN))   ((resid    55 and name    HG2#))      4.374 4.374 1.093 ! 4.004 A-0471-0569 

assign ((resid    22 and name      HA))   ((resid    56 and name      HN))      3.447 0.862 0.862 ! 3.772 A-0336-0413 

!assign ((resid    23 and name      HA))   ((resid    23 and name      HB))      3.520 0.880 0.880 ! 3.059 C-2227-2872 

assign ((resid    23 and name      HA))   ((resid    23 and name    HD1#))      2.083 2.083 0.521 ! 2.098 C-0323-0358 

assign ((resid    23 and name      HA))   ((resid    23 and name    HG11) or 
                                           (resid    23 and name    HG12))      3.520 3.520 0.880 ! 2.94063 C-0502-0625 

assign ((resid    23 and name      HA))   ((resid    23 and name    HG11) or 
                                           (resid    23 and name    HG12))      3.765 3.765 0.941 ! 2.94063 C-0526-0626 

assign ((resid    23 and name      HA))   ((resid    23 and name    HG2#))      2.400 2.400 0.600 ! 2.278 C-1741-2195 

assign ((resid    23 and name      HA))   ((resid    23 and name      HN))      3.149 0.787 0.787 ! 2.84 A-0200-0247 

!assign ((resid    23 and name      HB))   ((resid    23 and name      HA))      3.404 0.851 0.851 ! 3.059 C-1342-1834 

assign ((resid    23 and name      HB))   ((resid    23 and name    HD1#))      3.276 3.276 0.819 ! 3.282 C-0305-0368 

!assign ((resid    23 and name      HB))   ((resid    23 and name    HG11) or 
!                                           (resid    23 and name    HG12))      2.742 2.742 0.685 ! 2.21573 C-0508-0635 

!assign ((resid    23 and name      HB))   ((resid    23 and name    HG11) or 
!                                           (resid    23 and name    HG12))      2.863 2.863 0.716 ! 2.21573 C-0533-0636 

!assign ((resid    23 and name      HB))   ((resid    23 and name    HG2#))      2.257 2.257 0.564 ! 2.121 C-1750-2203 

assign ((resid    23 and name      HB))   ((resid    23 and name      HN))      2.687 0.672 0.672 ! 2.502 A-0202-0242 

assign ((resid    23 and name    HD1#))   ((resid    23 and name      HA))      2.109 2.109 0.527 ! 2.098 C-1341-1824 

assign ((resid    23 and name    HD1#))   ((resid    23 and name      HB))      3.324 3.324 0.831 ! 3.282 C-2229-2869 

!assign ((resid    23 and name    HD1#))   ((resid    23 and name    HG11) or 
!                                           (resid    23 and name    HG12))      2.524 2.524 0.631 ! 1.88247 C-0510-0612 

!assign ((resid    23 and name    HD1#))   ((resid    23 and name    HG11) or 
!                                           (resid    23 and name    HG12))      2.644 2.644 0.661 ! 1.88247 C-0535-0613 

!assign ((resid    23 and name    HD1#))   ((resid    23 and name    HG2#))      2.210 2.210 0.552 ! 2.238 C-1751-2181 

assign ((resid    23 and name    HD1#))   ((resid    23 and name      HN))      3.363 3.363 0.841 ! 3.077 A-0206-0244 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    23 and name      HA))      3.462 3.462 0.866 ! 2.94063 C-1339-1825 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    23 and name      HA))      3.744 3.744 0.936 ! 2.94063 C-1334-1826 

!assign ((resid    23 and name    HG11) or 
!        (resid    23 and name    HG12))   ((resid    23 and name      HB))      2.681 2.681 0.670 ! 2.21573 C-2234-2870 

!assign ((resid    23 and name    HG11) or 
!        (resid    23 and name    HG12))   ((resid    23 and name      HB))      2.774 2.774 0.694 ! 2.21573 C-2233-2871 

!assign ((resid    23 and name    HG11) or 
!        (resid    23 and name    HG12))   ((resid    23 and name    HD1#))      2.483 2.483 0.621 ! 1.88247 C-0314-0346 

!assign ((resid    23 and name    HG11) or 
!        (resid    23 and name    HG12))   ((resid    23 and name    HD1#))      2.508 2.508 0.627 ! 1.88247 C-0319-0347 

!*****assign ((resid    23 and name    HG11) or 
!*****        (resid    23 and name    HG12))   ((resid    23 and name    HG12) or 
!*****                                           (resid    23 and name    HG11))        1.831 1.831 0.458  ! 1.763 C-0506-0616 

!*****assign ((resid    23 and name    HG11) or 
!*****        (resid    23 and name    HG12))   ((resid    23 and name    HG12) or 
!*****                                           (resid    23 and name    HG11))        1.838 1.838 0.460  ! 1.763 C-0527-0617 

!assign ((resid    23 and name    HG11) or 
!        (resid    23 and name    HG12))   ((resid    23 and name    HG2#))      2.885 2.885 0.721 ! 2.33933 C-1743-2182 

!assign ((resid    23 and name    HG11) or 
!        (resid    23 and name    HG12))   ((resid    23 and name    HG2#))      2.473 2.473 0.618 ! 2.33933 C-1739-2183 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    23 and name      HN))      2.621 2.621 0.655 ! 2.04655 A-0199-0245 

!**assign ((resid    23 and name    HG11) or 
!**        (resid    23 and name    HG12))   ((resid    23 and name      HN))        3.613 3.613 0.903  ! 2.04655 A-0204-0246 

assign ((resid    23 and name    HG2#))   ((resid    23 and name      HA))      2.467 2.467 0.617 ! 2.278 C-1338-1832 

!assign ((resid    23 and name    HG2#))   ((resid    23 and name      HB))      2.290 2.290 0.573 ! 2.121 C-2232-2874 

!assign ((resid    23 and name    HG2#))   ((resid    23 and name    HD1#))      2.225 2.225 0.556 ! 2.238 C-0321-0363 

!assign ((resid    23 and name    HG2#))   ((resid    23 and name    HG11) or 
!                                           (resid    23 and name    HG12))      2.986 2.986 0.747 ! 2.33933 C-0503-0630 

!assign ((resid    23 and name    HG2#))   ((resid    23 and name    HG11) or 
!                                           (resid    23 and name    HG12))      2.635 2.635 0.659 ! 2.33933 C-0528-0631 

assign ((resid    23 and name    HG2#))   ((resid    23 and name      HN))      3.917 3.917 0.979 ! 3.745 A-0196-0251 

assign ((resid    23 and name    HG2#))   ((resid    24 and name      HA))      3.801 3.801 0.950 ! 3.681 C-1636-2112 

assign ((resid    23 and name    HG2#))   ((resid    24 and name      HA))      3.809 3.809 0.952 ! 3.681 C-1742-2198 

assign ((resid    23 and name    HG2#))   ((resid    24 and name     HB1) or 
                                           (resid    24 and name     HB2))      4.973 4.973 1.243 ! 4.41788 C-0459-0556 

assign ((resid    23 and name    HG2#))   ((resid    25 and name      HA) or 
                                           (resid    51 and name      HA))      3.975 3.975 0.994 ! 3.95178 D-0981-2202 D-0980-2202 

assign ((resid    23 and name      HA))   ((resid    26 and name      HB))      2.515 0.629 0.629 ! 2.567 C-0198-0245 

assign ((resid    23 and name      HA))   ((resid    26 and name      HB))      2.519 0.630 0.630 ! 2.567 C-1335-1823 

assign ((resid    23 and name      HA))   ((resid    26 and name    HG1#))      3.567 3.567 0.892 ! 4.031 C-1256-1646 

assign ((resid    23 and name      HA))   ((resid    26 and name    HG1#))      3.601 3.601 0.900 ! 4.031 C-1333-1830 

assign ((resid    23 and name      HA))   ((resid    26 and name    HG2#))      2.612 2.612 0.653 ! 2.704 C-0996-1301 

assign ((resid    23 and name      HA))   ((resid    26 and name    HG2#))      2.681 2.681 0.670 ! 2.704 C-1336-1828 

assign ((resid    23 and name      HA))   ((resid    26 and name      HN))      3.115 0.779 0.779 ! 3.24 A-0161-0204 

assign ((resid    23 and name    HD1#))   ((resid    26 and name      HB))      3.724 3.724 0.931 ! 3.477 C-0201-0236 

assign ((resid    23 and name    HD1#))   ((resid    26 and name      HB))      3.832 3.832 0.958 ! 3.477 C-0311-0344 

assign ((resid    23 and name    HD1#))   ((resid    26 and name    HG1#))      3.744 3.744 0.936 ! 3.87 C-0312-0355 

!assign ((resid    23 and name    HD1#))   ((resid    26 and name    HG1#))       3.794 0.949 0.949  ! 3.87 C-1262-1640 

assign ((resid    23 and name    HD1#))   ((resid    26 and name    HG2#))      2.937 2.937 0.734 ! 3.005 C-0316-0353 

assign ((resid    23 and name    HD1#))   ((resid    26 and name    HG2#))      2.971 2.971 0.743 ! 3.005 C-1008-1289 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    26 and name    HG2#))      4.801 4.801 1.200 ! 4.57207 C-1015-1292 

assign ((resid    23 and name    HG2#))   ((resid    26 and name      HB))      3.737 3.737 0.934 ! 3.243 C-0192-0247 

assign ((resid    23 and name    HG2#))   ((resid    26 and name      HB))      3.847 3.847 0.962 ! 3.243 C-1744-2179 

assign ((resid    23 and name    HG2#))   ((resid    26 and name    HG1#))      4.245 4.245 1.061 ! 3.855 C-1746-2192 

assign ((resid    23 and name    HG2#))   ((resid    26 and name    HG2#))      4.056 4.056 1.014 ! 4.027 C-0991-1306 

assign ((resid    23 and name    HG2#))   ((resid    27 and name      HA))      4.835 4.835 1.209 ! 5.096 C-1735-2199 

assign ((resid    23 and name    HG2#))   ((resid    27 and name     HB1))      4.928 4.928 1.232 ! 5.138 C-1747-2204 

assign ((resid    23 and name    HG2#))   ((resid    27 and name     HB1))      4.734 4.734 1.183 ! 5.138 C-2366-3015 

assign ((resid    23 and name    HG2#))   ((resid    27 and name     HB2))      4.647 4.647 1.162 ! 4.311 C-2348-3014 

assign ((resid    23 and name    HG2#))   ((resid    27 and name     HD1) or 
                                           (resid    27 and name     HD2))      4.043 4.043 1.011 ! 3.16303 C-0296-0330 

assign ((resid    23 and name    HG2#))   ((resid    27 and name     HD1) or 
                                           (resid    27 and name     HD2))      3.491 3.491 0.873 ! 3.16303 C-1737-2180 

assign ((resid    23 and name    HG2#))   ((resid    27 and name     HE1) or 
                                           (resid    27 and name     HE2))      2.537 2.537 0.634 ! 2.15036 C-1223-1566 

assign ((resid    23 and name    HG2#))   ((resid    27 and name     HE1) or 
                                           (resid    27 and name     HE2))      2.393 2.393 0.598 ! 2.15036 C-1753-2191 

assign ((resid    23 and name    HG2#))   ((resid    27 and name     HG1) or 
                                           (resid    27 and name     HG2))      3.794 3.794 0.949 ! 2.64598 C-0695-0905 

!assign ((resid    23 and name    HG2#))   ((resid    27 and name     HG1) or 
!                                           (resid    27 and name     HG2))        3.400 3.400 0.850  ! 2.64598 C-1736-2185 

assign ((resid    23 and name    HG2#))   ((resid    27 and name      HN))      4.234 4.234 1.058 ! 3.759 A-0304-0373 

assign ((resid    23 and name    HD1#))   ((resid    38 and name     HB1) or 
                                           (resid    54 and name     HB2))      4.459 4.459 1.115 ! 4.04383 D-0089-0343 D-0090-0343 

assign ((resid    23 and name      HA))   ((resid    43 and name     HD*))      4.043 4.043 1.011 ! 3.896 C-0664-0849 

assign ((resid    23 and name      HA))   ((resid    43 and name     HD*))      3.913 3.913 0.978 ! 3.896 C-1340-1827 

assign ((resid    23 and name    HD1#))   ((resid    43 and name     HB1))      4.910 4.910 1.228 ! 4.695 C-0850-1096 

assign ((resid    23 and name    HD1#))   ((resid    43 and name     HB2))      4.645 4.645 1.161 ! 4.369 C-0306-0352 

assign ((resid    23 and name    HD1#))   ((resid    43 and name     HB2))      4.896 4.896 1.224 ! 4.369 C-0824-1095 

assign ((resid    23 and name    HD1#))   ((resid    43 and name     HD*))      3.115 3.115 0.779 ! 3.157 C-0315-0349 

assign ((resid    23 and name    HD1#))   ((resid    43 and name     HD*))      4.808 4.808 1.202 ! 5.071 C-0943-1194 

assign ((resid    23 and name    HG2#))   ((resid    43 and name     HB1))      3.904 3.904 0.976 ! 4.388 C-1749-2189 

assign ((resid    23 and name    HG2#))   ((resid    43 and name     HB2))      3.839 3.839 0.960 ! 3.35 C-0833-1113 

assign ((resid    23 and name    HG2#))   ((resid    43 and name     HB2))      3.458 3.458 0.865 ! 3.35 C-1756-2188 

assign ((resid    23 and name    HG2#))   ((resid    43 and name     HD*))      2.796 2.796 0.699 ! 2.281 C-0727-0850 

assign ((resid    23 and name    HG2#))   ((resid    43 and name     HD*))      2.450 2.450 0.613 ! 2.281 C-1745-2184 

!assign ((resid    23 and name    HG2#))   ((resid    43 and name    HD*))       3.151 3.151 0.788  ! 4.609 C-1677-2190 

assign ((resid    23 and name    HD1#))   ((resid    50 and name      HA))      4.461 4.461 1.115 ! 4.387 C-0320-0369 

assign ((resid    23 and name    HD1#))   ((resid    50 and name      HA))      4.417 4.417 1.104 ! 4.387 C-2390-3048 

assign ((resid    23 and name    HD1#))   ((resid    50 and name     HB1))      2.923 2.923 0.731 ! 2.486 C-0309-0357 

assign ((resid    23 and name    HD1#))   ((resid    50 and name     HB1))      3.042 3.042 0.760 ! 2.486 C-1374-1785 

assign ((resid    23 and name    HD1#))   ((resid    50 and name     HB2))      3.367 3.367 0.842 ! 3.343 C-0308-0356 

assign ((resid    23 and name    HD1#))   ((resid    50 and name     HB2))      3.396 3.396 0.849 ! 3.343 C-1364-1784 

assign ((resid    23 and name    HD1#))   ((resid    50 and name     HD*))      2.510 2.510 0.627 ! 2.199 C-0317-0350 

assign ((resid    23 and name    HD1#))   ((resid    50 and name     HD*))      2.376 2.376 0.594 ! 2.199 C-0778-0947 

assign ((resid    23 and name    HD1#))   ((resid    50 and name     HD*))      3.085 3.085 0.771 ! 3.393 C-0325-0359 

assign ((resid    23 and name    HD1#))   ((resid    50 and name     HD*))      3.298 3.298 0.825 ! 3.393 C-1559-1949 

assign ((resid    23 and name    HD1#))   ((resid    50 and name      HG))      4.203 4.203 1.051 ! 4.429 C-0745-0986 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name      HA))      4.676 4.676 1.169 ! 3.87974 C-0524-0638 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name      HA))      4.773 4.773 1.193 ! 3.87974 C-2340-3050 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name     HB1))      3.787 3.787 0.947 ! 2.37329 C-0511-0622 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name     HB1))      3.120 3.120 0.780 ! 2.37329 C-0531-0624 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name     HB1))      3.957 3.957 0.989 ! 2.37329 C-1383-1788 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name     HB1))      3.163 3.163 0.791 ! 2.37329 C-1382-1789 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name     HB2))      4.625 4.625 1.156 ! 3.56439 C-0513-0621 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name     HB2))      3.710 3.710 0.927 ! 3.56439 C-0534-0623 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name     HB2))      4.326 4.326 1.081 ! 3.56439 C-1368-1786 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name     HB2))      3.496 3.496 0.874 ! 3.56439 C-1369-1787 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name     HD*))      4.071 4.071 1.018 ! 3.53874 C-0602-0618 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name     HD*))      4.682 4.682 1.171 ! 3.53874 C-0773-0952 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name     HD*))      3.758 3.758 0.940 ! 3.53874 C-0761-0953 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name     HD*))      4.811 4.811 1.203 ! 3.91821 C-0505-0627 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name     HD*))      4.316 4.316 1.079 ! 3.91821 C-0525-0628 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name     HD*))      4.531 4.531 1.133 ! 3.91821 C-1546-1955 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    50 and name      HG))      4.840 4.840 1.210 ! 5.20987 C-0793-0987 

assign ((resid    23 and name    HG2#))   ((resid    50 and name      HA))      4.512 4.512 1.128 ! 4.288 C-2380-3056 

assign ((resid    23 and name    HG2#))   ((resid    50 and name     HB1))      3.363 3.363 0.841 ! 2.742 C-1377-1801 

assign ((resid    23 and name    HG2#))   ((resid    50 and name     HB1))      3.037 3.037 0.759 ! 2.742 C-1754-2194 

assign ((resid    23 and name    HG2#))   ((resid    50 and name     HB2))      3.181 3.181 0.795 ! 2.545 C-1367-1800 

assign ((resid    23 and name    HG2#))   ((resid    50 and name     HB2))      2.995 2.995 0.749 ! 2.545 C-1748-2193 

assign ((resid    23 and name    HG2#))   ((resid    50 and name     HD*))      3.335 3.335 0.834 ! 3.388 C-0769-0962 

assign ((resid    23 and name    HG2#))   ((resid    50 and name     HD*))      3.312 3.312 0.828 ! 3.388 C-1738-2186 

assign ((resid    23 and name    HG2#))   ((resid    50 and name     HD*))      4.506 4.506 1.127 ! 4.475 C-1490-1966 

assign ((resid    23 and name    HG2#))   ((resid    50 and name     HD*))      4.444 4.444 1.111 ! 4.475 C-1734-2197 

assign ((resid    23 and name    HG2#))   ((resid    50 and name      HG))      4.645 4.645 1.161 ! 4.631 C-0799-0993 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    51 and name      HN))      4.437 4.437 1.109 ! 3.08826 A-0121-0156 

assign ((resid    23 and name      HA))   ((resid    52 and name      HA))      4.999 1.250 1.250 ! 4.468 C-1332-1833 

assign ((resid    23 and name      HB))   ((resid    52 and name      HA))      2.210 0.552 0.552 ! 1.855 C-1988-2558 

assign ((resid    23 and name      HB))   ((resid    52 and name      HA))      2.215 0.554 0.554 ! 1.855 C-2231-2875 

assign ((resid    23 and name      HB))   ((resid    52 and name     HB1))      4.739 1.185 1.185 ! 4.362 C-1449-1909 

assign ((resid    23 and name      HB))   ((resid    52 and name     HB1))      4.542 1.135 1.135 ! 4.362 C-2228-2873 

assign ((resid    23 and name    HD1#))   ((resid    52 and name      HA))      4.858 4.858 1.214 ! 4.737 C-0324-0365 

assign ((resid    23 and name    HD1#))   ((resid    52 and name      HA))      4.414 4.414 1.103 ! 4.737 C-2004-2552 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    52 and name      HA))      4.093 4.093 1.023 ! 3.73052 C-0530-0632 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    52 and name      HA))      4.043 4.043 1.011 ! 3.73052 C-1984-2554 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    52 and name      HA))      4.086 4.086 1.022 ! 3.73052 C-1986-2555 

assign ((resid    23 and name    HG2#))   ((resid    52 and name      HA))      2.468 2.468 0.617 ! 2.39 C-1740-2200 

assign ((resid    23 and name    HG2#))   ((resid    52 and name      HA))      2.511 2.511 0.628 ! 2.39 C-1985-2557 

assign ((resid    23 and name    HG2#))   ((resid    52 and name     HB1))      4.588 4.588 1.147 ! 4.461 C-1755-2196 

assign ((resid    23 and name    HG2#))   ((resid    52 and name      HN))      4.071 4.071 1.018 ! 3.719 A-0249-0308 

assign ((resid    23 and name      HN))   ((resid    52 and name      HA))      4.217 1.054 1.054 ! 3.85 A-0205-0252 

assign ((resid    23 and name      HB))   ((resid    54 and name      HN))      4.137 1.034 1.034 ! 3.681 A-0294-0342 

assign ((resid    23 and name    HD1#))   ((resid    54 and name     HB2))      4.976 4.976 1.244 ! 4.05 C-0039-0061 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12) or 
        (resid    54 and name     HG1) or 
        (resid    54 and name     HG2))   ((resid    54 and name      HN))      3.561 3.561 0.890 ! 2.31749 B-0122-0345 B-0121-0345 

assign ((resid    23 and name    HD1#))   ((resid    55 and name      HA))      3.896 3.896 0.974 ! 3.833 C-0318-0361 

assign ((resid    23 and name    HD1#))   ((resid    55 and name      HA))      3.839 3.839 0.960 ! 3.833 C-1660-2141 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    55 and name      HA))      4.581 4.581 1.145 ! 3.60547 C-1653-2143 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12) or 
        (resid    54 and name     HG1) or 
        (resid    54 and name     HG2))   ((resid    55 and name      HN))      4.261 4.261 1.065 ! 3.89403 B-0181-0586 B-0180-0586 

assign ((resid    23 and name      HN))   ((resid    55 and name      HA))      3.299 0.825 0.825 ! 3.289 A-0203-0249 

assign ((resid    23 and name      HA))   ((resid    56 and name     HD*))      3.913 3.913 0.978 ! 3.568 C-1059-1382 

assign ((resid    23 and name      HA))   ((resid    56 and name     HD*))      3.904 3.904 0.976 ! 3.568 C-1331-1829 

assign ((resid    23 and name    HD1#))   ((resid    56 and name      HA))      3.007 3.007 0.752 ! 3.052 C-0326-0364 

assign ((resid    23 and name    HD1#))   ((resid    56 and name      HA))      2.978 2.978 0.745 ! 3.052 C-1836-2384 

assign ((resid    23 and name    HD1#))   ((resid    56 and name     HD*))      3.115 3.115 0.779 ! 4.022 C-0669-0822 

assign ((resid    23 and name    HD1#))   ((resid    56 and name     HD*))      2.277 2.277 0.569 ! 1.974 C-0322-0354 

assign ((resid    23 and name    HD1#))   ((resid    56 and name     HD*))      2.302 2.302 0.576 ! 1.974 C-1060-1371 

assign ((resid    23 and name    HD1#))   ((resid    56 and name      HG))      3.724 3.724 0.931 ! 3.248 C-0328-0348 

assign ((resid    23 and name    HD1#))   ((resid    56 and name      HG))      3.724 3.724 0.931 ! 3.248 C-0658-0804 

assign ((resid    23 and name    HD1#))   ((resid    56 and name      HN))      4.064 4.064 1.016 ! 3.677 A-0341-0405 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    56 and name     HD*))      4.379 4.379 1.095 ! 3.74178 C-0504-0619 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    56 and name     HD*))      4.723 4.723 1.181 ! 3.74178 C-1049-1375 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    56 and name     HD*))      4.967 4.967 1.242 ! 3.74178 C-1046-1376 

assign ((resid    23 and name      HB))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.912 4.912 1.228 ! 4.83231 C-2230-2876 

assign ((resid    23 and name    HD1#))   ((resid    59 and name     HB2))      4.907 4.907 1.227 ! 4.446 C-0304-0360 

assign ((resid    23 and name    HD1#))   ((resid    59 and name     HB2))      4.775 4.775 1.194 ! 4.446 C-1502-2058 

assign ((resid    23 and name    HD1#))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      3.035 3.035 0.759 ! 2.99166 C-0307-0345 

assign ((resid    23 and name    HD1#))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      3.163 3.163 0.791 ! 2.99166 C-2461-10003 

assign ((resid    23 and name    HD1#))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      2.950 2.950 0.738 ! 3.11857 C-0310-0366 

assign ((resid    23 and name    HD1#))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      2.991 2.991 0.748 ! 3.11857 C-2530-10080 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.484 4.484 1.121 ! 3.73254 C-2475-10005 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.575 4.575 1.144 ! 3.73254 C-2464-10006 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      3.309 3.309 0.827 ! 2.5676 C-0509-0633 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      3.151 3.151 0.788 ! 2.5676 C-0532-0634 

assign ((resid    23 and name    HG11) or 
        (resid    23 and name    HG12))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      3.065 3.065 0.766 ! 2.5676 C-2544-10083 

assign ((resid    23 and name    HG2#))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.367 4.367 1.092 ! 4.5907 C-1752-2201 

assign ((resid    23 and name    HG2#))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.294 4.294 1.073 ! 4.5907 C-2538-10094 

assign ((resid    23 and name    HD1#))   ((resid    61 and name    HD1#))      2.909 2.909 0.727 ! 3.145 C-0327-0367 

assign ((resid    23 and name    HD1#))   ((resid    61 and name    HD1#))      3.123 3.123 0.781 ! 3.145 C-2150-2666 

assign ((resid    23 and name    HD1#))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.339 3.339 0.835 ! 3.55258 D-0092-0351 D-0094-0351 D-0091-0351 D-0093-0351 

assign ((resid    23 and name    HG2#))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      4.127 4.127 1.032 ! 4.45101 D-0928-2187 D-0929-2187 

!assign ((resid    24 and name      HA))   ((resid    24 and name     HB1) or 
!                                           (resid    24 and name     HB2) or 
!                                           (resid    37 and name     HG1) or 
!                                           (resid    37 and name     HG2))      2.262 2.262 0.566 ! 2.38806 D-0124-0555 D-0123-0555 

assign ((resid    24 and name      HA))   ((resid    24 and name     HG1) or 
                                           (resid    24 and name     HG2))      3.169 3.169 0.792 ! 2.58646 C-2179-2784 

assign ((resid    24 and name      HA))   ((resid    24 and name     HG1) or 
                                           (resid    24 and name     HG2))      3.339 3.339 0.835 ! 2.58646 C-2181-2785 

!assign ((resid    24 and name     HB1) or 
!        (resid    24 and name     HB2) or 
!        (resid    37 and name     HG1) or 
!        (resid    37 and name     HG2))   ((resid    24 and name      HA))      2.090 2.090 0.522 ! 2.38806 D-0894-2108 D-0893-2108 

!assign ((resid    24 and name     HB1) or 
!        (resid    24 and name     HB2) or 
!        (resid    37 and name     HG1) or 
!        (resid    37 and name     HG2))   ((resid    24 and name     HG1) or 
!                                           (resid    24 and name     HG2))      2.306 2.306 0.577 ! 2.0704 D-1093-2782 D-1092-2782 

!assign ((resid    24 and name     HB1) or 
!        (resid    24 and name     HB2) or 
!        (resid    37 and name     HG1) or 
!        (resid    37 and name     HG2))   ((resid    24 and name     HG1) or 
!                                           (resid    24 and name     HG2))      2.352 2.352 0.588 ! 2.0704 D-1095-2783 D-1094-2783 

assign ((resid    24 and name     HB1) or 
        (resid    24 and name     HB2))   ((resid    24 and name      HN))      3.798 3.798 0.950 ! 2.18094 A-0224-0276 

assign ((resid    24 and name     HG1) or 
        (resid    24 and name     HG2) or 
        (resid    40 and name     HG1) or 
        (resid    40 and name     HG2))   ((resid    24 and name      HA))      2.868 2.868 0.717 ! 2.5864 D-0896-2115 D-0895-2115 

!assign ((resid    24 and name     HG1) or 
!        (resid    24 and name     HG2))   ((resid    24 and name     HB1) or 
!                                           (resid    24 and name     HB2) or 
!                                           (resid    37 and name     HG1) or 
!                                           (resid    37 and name     HG2))      2.236 2.236 0.559 ! 2.0704 D-0126-0558 D-0125-0558 

assign ((resid    24 and name      HA))   ((resid    25 and name      HN))      3.845 0.961 0.961 ! 3.514 A-0227-0283 

assign ((resid    24 and name     HB1) or 
        (resid    24 and name     HB2))   ((resid    25 and name      HN))      2.814 2.814 0.704 ! 2.4211 A-0226-0280 

assign ((resid    24 and name     HG1) or 
        (resid    24 and name     HG2))   ((resid    25 and name      HN))      3.813 3.813 0.953 ! 3.87505 A-0228-0278 

assign ((resid    24 and name      HA))   ((resid    27 and name     HB1))      3.809 0.952 0.952 ! 4.466 C-1630-2117 

assign ((resid    24 and name      HA))   ((resid    27 and name     HB1))      3.678 0.919 0.919 ! 4.466 C-2370-3013 

assign ((resid    24 and name      HA))   ((resid    27 and name     HB2))      2.952 0.738 0.738 ! 2.862 C-1629-2116 

assign ((resid    24 and name      HA))   ((resid    27 and name     HB2))      2.991 0.748 0.748 ! 2.862 C-2351-3012 

assign ((resid    24 and name      HA))   ((resid    27 and name     HD1) or 
                                           (resid    27 and name     HD2))      3.525 3.525 0.881 ! 3.03111 C-0292-0329 

assign ((resid    24 and name      HA))   ((resid    27 and name     HD1) or 
                                           (resid    27 and name     HD2))      3.070 3.070 0.767 ! 3.03111 C-1626-2107 

assign ((resid    24 and name      HA))   ((resid    27 and name     HE1) or 
                                           (resid    27 and name     HE2))      4.461 4.461 1.115 ! 4.51675 C-1218-1565 

assign ((resid    24 and name      HA))   ((resid    27 and name     HE1) or 
                                           (resid    27 and name     HE2))      4.328 4.328 1.082 ! 4.51675 C-1637-2110 

assign ((resid    24 and name      HA))   ((resid    27 and name     HG1) or 
                                           (resid    27 and name     HG2))      3.994 3.994 0.999 ! 3.69196 C-1627-2109 

assign ((resid    24 and name      HA))   ((resid    27 and name     HG1) or 
                                           (resid    27 and name     HG2) or 
                                           (resid    29 and name     HG1) or 
                                           (resid    29 and name     HG2))      4.313 4.313 1.078 ! 3.68479 D-0331-0868 D-0332-0868 

assign ((resid    24 and name      HA))   ((resid    27 and name      HN))      3.441 0.860 0.860 ! 3.661 A-0295-0371 

assign ((resid    24 and name      HA))   ((resid    28 and name     HB#))      4.412 4.412 1.103 ! 5.01 C-1625-2113 

assign ((resid    24 and name     HG1) or 
        (resid    24 and name     HG2))   ((resid    28 and name     HB#))      4.970 4.970 1.242 ! 3.94444 C-2180-2786 

assign ((resid    24 and name     HG1) or 
        (resid    24 and name     HG2) or 
        (resid    40 and name     HG1) or 
        (resid    40 and name     HG2))   ((resid    28 and name     HB#))      4.934 4.934 1.234 ! 3.94196 D-0996-2333 D-0995-2333 

assign ((resid    24 and name     HB1) or 
        (resid    24 and name     HB2) or 
        (resid    37 and name     HG1) or 
        (resid    37 and name     HG2))   ((resid    37 and name      HA))      3.458 3.458 0.865 ! 2.75077 D-0122-0553 D-0121-0553 

assign ((resid    24 and name     HB1) or 
        (resid    24 and name     HB2) or 
        (resid    37 and name     HG1) or 
        (resid    37 and name     HG2))   ((resid    37 and name      HA))      2.909 2.909 0.727 ! 2.75077 D-0828-1875 D-0827-1875 

!assign ((resid    24 and name     HB1) or 
!        (resid    24 and name     HB2) or 
!        (resid    37 and name     HG1) or 
!        (resid    37 and name     HG2))   ((resid    37 and name     HB*) or 
!                                           (resid    37 and name     HB*))      1.905 1.905 0.476 ! 2.01645 D-0035-0130 D-0034-0130 

assign ((resid    24 and name     HG1) or 
        (resid    24 and name     HG2) or 
        (resid    40 and name     HG1) or 
        (resid    40 and name     HG2))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      4.666 4.666 1.167 ! 3.4102 D-1123-2781 D-1122-2781 

assign ((resid    24 and name      HA))   ((resid    38 and name     HB1))      4.708 1.177 1.177 ! 4.876 C-0009-0019 

assign ((resid    24 and name      HA))   ((resid    38 and name     HB1))      4.934 1.234 1.234 ! 4.876 C-1623-2106 

assign ((resid    24 and name     HG1) or 
        (resid    24 and name     HG2) or 
        (resid    40 and name     HG1) or 
        (resid    40 and name     HG2))   ((resid    39 and name      HN))      4.385 4.385 1.096 ! 4.02332 B-0163-0522 B-0162-0522 B-0161-0522 

assign ((resid    24 and name      HA))   ((resid    52 and name      HA))      4.448 1.112 1.112 ! 3.662 C-1624-2114 

assign ((resid    24 and name      HA))   ((resid    52 and name      HA))      4.244 1.061 1.061 ! 3.662 C-2003-2556 

assign ((resid    24 and name      HA))   ((resid    52 and name     HB1))      4.973 1.243 1.243 ! 3.797 C-1450-1898 

assign ((resid    24 and name      HA))   ((resid    52 and name     HB1))      4.873 1.218 1.218 ! 3.797 C-1628-2111 

assign ((resid    24 and name      HA))   ((resid    52 and name     HB2))      4.741 1.185 1.185 ! 5.19 C-1477-1899 

assign ((resid    24 and name     HB1) or 
        (resid    24 and name     HB2))   ((resid    52 and name      HA))      3.653 3.653 0.913 ! 3.3471 C-1987-2553 

assign ((resid    24 and name     HB1) or 
        (resid    24 and name     HB2))   ((resid    52 and name     HB1))      2.971 2.971 0.743 ! 2.51752 C-0464-0554 

assign ((resid    24 and name     HB1) or 
        (resid    24 and name     HB2))   ((resid    52 and name     HB1))      3.169 3.169 0.792 ! 2.51752 C-1451-1890 

assign ((resid    24 and name     HG1) or 
        (resid    24 and name     HG2))   ((resid    52 and name      HA))      4.420 4.420 1.105 ! 4.83973 C-2235-2787 

!assign ((resid    25 and name      HA))   ((resid    25 and name     HB*))      2.362 2.362 0.591 ! 3.032 C-1798-2326 

!assign ((resid    25 and name      HA))   ((resid    25 and name     HB*))      2.424 2.424 0.606 ! 2.451 C-1794-2325 

assign ((resid    25 and name      HA))   ((resid    25 and name    HD21))      3.269 0.817 0.817 ! 4.694 A-0466-0560 

assign ((resid    25 and name      HA))   ((resid    25 and name    HD22))      3.957 0.989 0.989 ! 4.295 A-0467-0561 

assign ((resid    25 and name      HA) or 
        (resid    51 and name      HA))   ((resid    25 and name      HN))      2.841 2.841 0.710 ! 2.85068 B-0099-0277 B-0100-0277 

!assign ((resid    25 and name     HB*))   ((resid    25 and name      HA))      2.262 2.262 0.566 ! 3.032 C-2056-2626 

!*****assign ((resid    25 and name     HB1))   ((resid    25 and name     HB2))       1.614 0.404 0.404  ! 1.764 C-1792-2323 

assign ((resid    25 and name     HB*))   ((resid    25 and name      HN))      2.982 2.982 0.746 ! 2.525 A-0232-0285 

!assign ((resid    25 and name     HB*))   ((resid    25 and name      HA))      2.448 2.448 0.612 ! 2.451 C-2055-2625 

! Disjoint fromNOElist {25 HB*}
! Disjoint toNOElist {25 HB*}
!assign ((resid    25 and name     HB*))   ((resid    25 and name     HB*))      1.609 1.609 0.402 ! 1.764 C-1796-2324 

assign ((resid    25 and name     HB*))   ((resid    25 and name      HN))      2.609 2.609 0.652 ! 2.696 A-0231-0284 

assign ((resid    25 and name      HA) or 
        (resid    51 and name      HA))   ((resid    26 and name    HG2#))      4.865 4.865 1.216 ! 5.07073 D-0624-1313 D-0623-1313 

assign ((resid    25 and name      HA))   ((resid    26 and name      HN))      3.750 0.938 0.938 ! 3.488 A-0167-0200 

assign ((resid    25 and name     HB*))   ((resid    26 and name    HG2#))      4.033 4.033 1.008 ! 3.568 C-1013-1309 

assign ((resid    25 and name     HB*))   ((resid    26 and name    HG2#))      4.215 4.215 1.054 ! 3.568 C-1797-2319 

assign ((resid    25 and name     HB*))   ((resid    26 and name      HN))      3.441 3.441 0.860 ! 2.638 A-0168-0207 

assign ((resid    25 and name     HB*))   ((resid    26 and name    HG2#))      4.013 4.013 1.003 ! 5.025 C-1011-1308 

assign ((resid    25 and name     HB*))   ((resid    26 and name    HG2#))      4.301 4.301 1.075 ! 5.025 C-1795-2318 

assign ((resid    25 and name     HB*))   ((resid    26 and name      HN))      3.299 3.299 0.825 ! 3.929 A-0165-0206 

assign ((resid    25 and name      HN))   ((resid    26 and name    HG2#))      4.201 4.201 1.050 ! 4.363 A-0230-0281 

assign ((resid    25 and name      HA))   ((resid    28 and name     HB#))      2.177 2.177 0.544 ! 2.607 C-1803-2332 

assign ((resid    25 and name      HA))   ((resid    28 and name      HN))      3.042 0.760 0.760 ! 3.282 A-0105-0127 

assign ((resid    25 and name     HB*))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      4.750 4.750 1.188 ! 5.33491 C-1204-1584 

!assign ((resid    26 and name      HA))   ((resid    26 and name      HB))      3.430 0.858 0.858 ! 3.025 C-0194-0238 

assign ((resid    26 and name      HA))   ((resid    26 and name    HG1#))      2.275 2.275 0.569 ! 2.397 C-1261-1642 

assign ((resid    26 and name      HA))   ((resid    26 and name    HG2#))      2.182 2.182 0.545 ! 2.248 C-1000-1295 

assign ((resid    26 and name      HA))   ((resid    26 and name      HN))      2.919 0.730 0.730 ! 2.829 A-0166-0202 

!assign ((resid    26 and name      HB))   ((resid    26 and name      HA))      3.343 0.836 0.836 ! 3.025 C-0672-0912 

!assign ((resid    26 and name      HB))   ((resid    26 and name    HG1#))      2.142 2.142 0.535 ! 2.142 C-1259-1639 

!assign ((resid    26 and name      HB))   ((resid    26 and name    HG2#))      2.133 2.133 0.533 ! 2.031 C-0993-1288 

assign ((resid    26 and name      HB))   ((resid    26 and name      HN))      2.471 0.618 0.618 ! 2.414 A-0162-0201 

assign ((resid    26 and name    HG1#))   ((resid    26 and name      HA))      2.297 2.297 0.574 ! 2.397 C-0734-0923 

!assign ((resid    26 and name    HG1#))   ((resid    26 and name      HB))      2.125 2.125 0.531 ! 2.142 C-0196-0244 

!*****assign ((resid    26 and name    HG1#))   ((resid    26 and name    HG2#))       1.821 0.455 0.455  ! 1.988 C-1001-1300 

assign ((resid    26 and name    HG1#))   ((resid    26 and name      HN))      3.529 3.529 0.882 ! 3.752 A-0164-0205 

assign ((resid    26 and name    HG2#))   ((resid    26 and name      HA))      2.257 2.257 0.564 ! 2.248 C-0678-0919 

!assign ((resid    26 and name    HG2#))   ((resid    26 and name      HB))      2.163 2.163 0.541 ! 2.031 C-0197-0241 

!*****assign ((resid    26 and name    HG2#))   ((resid    26 and name    HG1#))       1.867 0.467 0.467  ! 1.988 C-1260-1643 

assign ((resid    26 and name    HG2#))   ((resid    26 and name      HN))      2.262 2.262 0.566 ! 2.461 A-0163-0203 

assign ((resid    26 and name      HA))   ((resid    27 and name     HG1) or 
                                           (resid    27 and name     HG2) or 
                                           (resid    29 and name     HG1) or 
                                           (resid    29 and name     HG2))      4.283 4.283 1.071 ! 3.17763 D-0320-0861 D-0321-0861 

assign ((resid    26 and name      HA))   ((resid    27 and name     HG1) or 
                                           (resid    27 and name     HG2) or 
                                           (resid    29 and name     HG1) or 
                                           (resid    29 and name     HG2))      4.208 4.208 1.052 ! 3.17763 D-0314-0917 D-0315-0917 

assign ((resid    26 and name      HA))   ((resid    27 and name      HN))      3.866 0.967 0.967 ! 3.527 A-0296-0365 

assign ((resid    26 and name      HB))   ((resid    27 and name      HA))      4.803 1.201 1.201 ! 4.551 C-0195-0248 

assign ((resid    26 and name      HB))   ((resid    27 and name      HA))      4.999 1.250 1.250 ! 4.551 C-1678-2302 

assign ((resid    26 and name      HB))   ((resid    27 and name      HN))      2.856 0.714 0.714 ! 2.671 A-0299-0363 

assign ((resid    26 and name    HG1#))   ((resid    27 and name      HA))      3.606 3.606 0.901 ! 3.386 C-1254-1647 

assign ((resid    26 and name    HG1#))   ((resid    27 and name      HA))      3.744 3.744 0.936 ! 3.386 C-1686-2309 

assign ((resid    26 and name    HG1#))   ((resid    27 and name     HB2))      4.833 4.833 1.208 ! 4.94 C-2405-3009 

assign ((resid    26 and name    HG1#))   ((resid    27 and name      HN))      3.423 3.423 0.856 ! 3.232 A-0300-0370 

assign ((resid    26 and name    HG2#))   ((resid    27 and name      HN))      3.923 3.923 0.981 ! 3.946 A-0303-0369 

assign ((resid    26 and name    HG2#))   ((resid    28 and name     HB#))      4.835 4.835 1.209 ! 5.751 C-1801-2330 

assign ((resid    26 and name      HA))   ((resid    29 and name     HB1))      3.957 0.989 0.989 ! 4.487 C-0673-0929 

assign ((resid    26 and name      HA))   ((resid    29 and name     HB1))      3.730 0.932 0.932 ! 4.487 C-2448-3114 

assign ((resid    26 and name      HA))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      3.855 3.855 0.964 ! 2.28489 C-0364-0395 

assign ((resid    26 and name      HA))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      3.131 3.131 0.783 ! 2.28489 C-0372-0396 

assign ((resid    26 and name      HA))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      3.871 3.871 0.968 ! 2.28489 C-0675-0913 

assign ((resid    26 and name      HA))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      2.998 2.998 0.750 ! 2.28489 C-0676-0914 

assign ((resid    26 and name      HA))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      4.704 4.704 1.176 ! 4.09918 C-0681-0921 

assign ((resid    26 and name      HA))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      4.481 4.481 1.120 ! 4.09918 C-0736-0922 

assign ((resid    26 and name      HA))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      4.670 4.670 1.167 ! 4.09918 C-1196-1579 

assign ((resid    26 and name      HA))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      4.835 4.835 1.209 ! 4.09918 C-1208-1580 

assign ((resid    26 and name      HA))   ((resid    29 and name     HG1) or 
                                           (resid    29 and name     HG2))      3.871 3.871 0.968 ! 3.20591 C-0687-0860 

assign ((resid    26 and name      HA))   ((resid    29 and name     HG1) or 
                                           (resid    29 and name     HG2))      3.809 3.809 0.952 ! 3.20591 C-0679-0916 

assign ((resid    26 and name      HA))   ((resid    29 and name      HN))      3.337 0.834 0.834 ! 3.332 A-0255-0315 

assign ((resid    26 and name    HG2#))   ((resid    29 and name     HB2))      4.771 4.771 1.193 ! 4.538 C-1043-1317 

assign ((resid    26 and name    HG2#))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      4.300 4.300 1.075 ! 3.04662 C-0995-1290 

assign ((resid    26 and name    HG2#))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      4.540 4.540 1.135 ! 4.02371 C-1017-1298 

assign ((resid    26 and name      HA))   ((resid    30 and name    HD1#))      4.873 4.873 1.218 ! 4.854 C-0680-0927 

assign ((resid    26 and name      HA))   ((resid    30 and name    HD1#))      4.682 4.682 1.171 ! 4.854 C-2029-2566 

assign ((resid    26 and name      HB))   ((resid    30 and name    HD1#))      3.847 3.847 0.962 ! 4.655 C-0191-0249 

assign ((resid    26 and name    HG1#))   ((resid    30 and name    HD1#))      2.280 2.280 0.570 ! 2.544 C-1257-1648 

assign ((resid    26 and name    HG1#))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      3.327 3.327 0.832 ! 2.89179 C-0151-0201 

assign ((resid    26 and name    HG1#))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      3.383 3.383 0.846 ! 2.89179 C-1258-1638 

assign ((resid    26 and name    HG1#))   ((resid    30 and name      HN))      4.448 4.448 1.112 ! 4.008 A-0211-0261 

assign ((resid    26 and name      HB))   ((resid    43 and name     HD*))      3.363 3.363 0.841 ! 3.239 C-0199-0237 

assign ((resid    26 and name      HB))   ((resid    43 and name     HD*))      3.573 3.573 0.893 ! 3.239 C-0659-0844 

!**assign ((resid    26 and name      HA))   ((resid    56 and name    HD*))       3.751 3.751 0.938  ! 5.083 C-0677-0915 

assign ((resid    26 and name      HB))   ((resid    56 and name     HD*))      4.300 4.300 1.075 ! 3.701 C-0193-0242 

assign ((resid    26 and name      HB))   ((resid    56 and name     HD*))      4.515 4.515 1.129 ! 3.701 C-1048-1370 

!assign ((resid    26 and name    HG1#))   ((resid    56 and name    HD*))       2.113 2.113 0.528  ! 3.807 C-1255-1641 

assign ((resid    26 and name    HG2#))   ((resid    56 and name     HD*))      2.317 2.317 0.579 ! 2.327 C-0998-1294 

assign ((resid    26 and name    HG2#))   ((resid    56 and name     HD*))      2.369 2.369 0.592 ! 2.083 C-1003-1297 

assign ((resid    26 and name    HG2#))   ((resid    56 and name      HG))      3.283 3.283 0.821 ! 2.972 C-0655-0807 

assign ((resid    26 and name    HG2#))   ((resid    56 and name      HG))      3.242 3.242 0.810 ! 2.972 C-0992-1293 

assign ((resid    26 and name    HG1#))   ((resid    61 and name    HD1#))      4.948 4.948 1.237 ! 5.033 C-1263-1649 

assign ((resid    26 and name    HG2#))   ((resid    61 and name    HD1#))      4.653 4.653 1.163 ! 4.623 C-1044-1314 

!assign ((resid    26 and name    HG2#))   ((resid    61 and name    HG11) or 
!                                           (resid    61 and name    HG12))        4.858 4.858 1.214  ! 6.61814 C-0478-0531 

assign ((resid    26 and name    HG2#))   ((resid    61 and name    HG2#))      4.873 4.873 1.218 ! 5.076 C-0999-1310 

!assign ((resid    26 and name    HG2#))   ((resid    67 and name    HD1#) or 
!                                           (resid    67 and name    HD2#))        3.140 3.140 0.785  ! 3.54909 D-0586-1296 D-0583-1296 D-0585-1296 D-0584-1296 

!assign ((resid    27 and name      HA))   ((resid    27 and name     HB1))      2.905 0.726 0.726 ! 2.545 C-2369-3017 

!assign ((resid    27 and name      HA))   ((resid    27 and name     HB2))      3.137 0.784 0.784 ! 3.028 C-2353-3016 

assign ((resid    27 and name      HA))   ((resid    27 and name     HE1) or 
                                           (resid    27 and name     HE2))      4.649 4.649 1.162 ! 4.48323 C-1171-1567 

!**assign ((resid    27 and name      HA))   ((resid    27 and name     HG1) or 
!**                                           (resid    27 and name     HG2))        3.408 3.408 0.852  ! 2.27318 C-0696-0906 

assign ((resid    27 and name      HA))   ((resid    27 and name     HG1) or 
                                           (resid    27 and name     HG2))      3.052 3.052 0.763 ! 2.27318 C-0703-0907 

assign ((resid    27 and name      HA))   ((resid    27 and name      HN))      3.088 0.772 0.772 ! 2.837 A-0302-0372 

!assign ((resid    27 and name     HB1))   ((resid    27 and name      HA))      2.787 0.697 0.697 ! 2.545 C-1690-2316 

!assign ((resid    27 and name     HB1))   ((resid    27 and name     HB2))      2.155 0.539 0.539 ! 1.763 C-2349-3020 

assign ((resid    27 and name     HB1))   ((resid    27 and name     HD1) or 
                                           (resid    27 and name     HD2))      3.283 3.283 0.821 ! 2.33019 C-0298-0332 

assign ((resid    27 and name     HB1))   ((resid    27 and name     HE1) or 
                                           (resid    27 and name     HE2))      3.975 3.975 0.994 ! 3.99391 C-1219-1571 

!assign ((resid    27 and name     HB1))   ((resid    27 and name     HG1) or 
!                                           (resid    27 and name     HG2))      2.980 2.980 0.745 ! 2.43427 C-0698-0908 

!assign ((resid    27 and name     HB1))   ((resid    27 and name     HG1) or 
!                                           (resid    27 and name     HG2))      3.021 3.021 0.755 ! 2.43427 C-0706-0910 

assign ((resid    27 and name     HB1))   ((resid    27 and name      HN))      3.536 0.884 0.884 ! 3.593 A-0298-0362 

!assign ((resid    27 and name     HB2))   ((resid    27 and name      HA))      3.238 0.809 0.809 ! 3.028 C-1689-2315 

!assign ((resid    27 and name     HB2))   ((resid    27 and name     HB1))      2.215 0.554 0.554 ! 1.763 C-2364-3021 

assign ((resid    27 and name     HB2))   ((resid    27 and name     HD1) or 
                                           (resid    27 and name     HD2))      3.347 3.347 0.837 ! 2.44134 C-0297-0331 

assign ((resid    27 and name     HB2))   ((resid    27 and name     HE1) or 
                                           (resid    27 and name     HE2))      4.386 4.386 1.097 ! 4.03859 C-1214-1570 

!**assign ((resid    27 and name     HB2))   ((resid    27 and name     HG1) or 
!**                                           (resid    27 and name     HG2))        3.481 3.481 0.870  ! 2.37902 C-0701-0909 

assign ((resid    27 and name     HB2))   ((resid    27 and name      HN))      2.972 0.743 0.743 ! 2.397 A-0301-0361 

assign ((resid    27 and name     HD1) or 
        (resid    27 and name     HD2))   ((resid    27 and name      HA))      3.751 3.751 0.938 ! 3.86978 C-1684-2303 

assign ((resid    27 and name     HD1) or 
        (resid    27 and name     HD2))   ((resid    27 and name     HB1))      3.151 3.151 0.788 ! 2.33019 C-2371-2998 

!assign ((resid    27 and name     HD1) or 
!        (resid    27 and name     HD2))   ((resid    27 and name     HG1) or 
!                                           (resid    27 and name     HG2))      2.734 2.734 0.683 ! 2.10014 C-0700-0899 

assign ((resid    27 and name     HD1) or 
        (resid    27 and name     HD2))   ((resid    27 and name      HN))      3.834 3.834 0.959 ! 3.88255 A-0305-0364 

assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    27 and name      HA))      4.144 4.144 1.036 ! 4.48323 C-1790-2308 

assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    27 and name     HB1))      4.087 4.087 1.022 ! 3.99391 C-2363-3008 

assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    27 and name     HB2))      4.409 4.409 1.102 ! 4.03859 C-2350-3007 

!**assign ((resid    27 and name     HE1) or 
!**        (resid    27 and name     HE2))   ((resid    27 and name     HD1) or 
!**                                           (resid    27 and name     HD2))        2.907 2.907 0.727  ! 2.1534 C-0294-0328 

assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    27 and name     HG1) or 
                                           (resid    27 and name     HG2))      3.266 3.266 0.817 ! 2.15885 C-0699-0902 

assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    27 and name     HG1) or 
                                           (resid    27 and name     HG2))      3.115 3.115 0.779 ! 2.15885 C-0705-0903 

assign ((resid    27 and name     HG1) or 
        (resid    27 and name     HG2))   ((resid    27 and name      HA))      3.280 3.280 0.820 ! 2.27318 C-1687-2305 

assign ((resid    27 and name     HG1) or 
        (resid    27 and name     HG2))   ((resid    27 and name      HA))      2.894 2.894 0.724 ! 2.27318 C-1683-2306 

!assign ((resid    27 and name     HG1) or 
!        (resid    27 and name     HG2))   ((resid    27 and name     HB1))      2.960 2.960 0.740 ! 2.43427 C-2365-3003 

!assign ((resid    27 and name     HG1) or 
!        (resid    27 and name     HG2))   ((resid    27 and name     HB1))      2.913 2.913 0.728 ! 2.43427 C-2362-3004 

!assign ((resid    27 and name     HG1) or 
!        (resid    27 and name     HG2))   ((resid    27 and name     HB2))      3.025 3.025 0.756 ! 2.37902 C-2352-3002 

!assign ((resid    27 and name     HG1) or 
!        (resid    27 and name     HG2))   ((resid    27 and name     HD1) or 
!                                           (resid    27 and name     HD2))      2.885 2.885 0.721 ! 2.10014 C-0291-0324 

!assign ((resid    27 and name     HG1) or 
!        (resid    27 and name     HG2))   ((resid    27 and name     HD1) or 
!                                           (resid    27 and name     HD2))      2.954 2.954 0.739 ! 2.10014 C-0295-0325 

assign ((resid    27 and name     HG1) or 
        (resid    27 and name     HG2))   ((resid    27 and name     HE1) or 
                                           (resid    27 and name     HE2))      3.143 3.143 0.786 ! 2.15885 C-1221-1560 

assign ((resid    27 and name     HG1) or 
        (resid    27 and name     HG2))   ((resid    27 and name     HE1) or 
                                           (resid    27 and name     HE2))      3.134 3.134 0.783 ! 2.15885 C-1220-1561 

!*****assign ((resid    27 and name     HG1) or 
!*****        (resid    27 and name     HG2))   ((resid    27 and name     HG2) or 
!*****                                           (resid    27 and name     HG1))        2.530 2.530 0.632  ! 1.763 C-0697-0900 

!**assign ((resid    27 and name     HG1) or 
!**        (resid    27 and name     HG2))   ((resid    27 and name      HN))        3.587 3.587 0.897  ! 2.33979 A-0297-0368 

assign ((resid    27 and name     HG1) or 
        (resid    27 and name     HG2) or 
        (resid    29 and name     HG1) or 
        (resid    29 and name     HG2))   ((resid    27 and name      HN))      2.934 2.934 0.734 ! 2.33712 B-0123-0367 B-0124-0367 

assign ((resid    27 and name      HA))   ((resid    28 and name      HN))      3.953 0.988 0.988 ! 3.537 A-0101-0131 

assign ((resid    27 and name     HB1))   ((resid    28 and name      HN))      4.029 1.007 1.007 ! 3.599 A-0103-0130 

assign ((resid    27 and name     HB2) or 
        (resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    28 and name      HN))      3.339 3.339 0.835 ! 2.75441 B-0045-0129 B-0044-0129 

assign ((resid    27 and name      HN))   ((resid    28 and name     HB#))      4.325 4.325 1.081 ! 4.452 A-0306-0374 

!assign ((resid    27 and name     HG1) or 
!        (resid    27 and name     HG2) or 
!        (resid    29 and name     HG1) or 
!        (resid    29 and name     HG2))   ((resid    29 and name     HB1))      2.805 2.805 0.701 ! 2.30079 D-0326-0875 D-0327-0875 

!assign ((resid    27 and name     HG1) or 
!        (resid    27 and name     HG2) or 
!        (resid    29 and name     HG1) or 
!        (resid    29 and name     HG2))   ((resid    29 and name     HB2) or 
!                                           (resid     1 and name     HB2))      3.305 3.305 0.826 ! 2.40064 D-1187-3110 D-1186-3110 D-1188-3110 

assign ((resid    27 and name     HG1) or 
        (resid    27 and name     HG2) or 
        (resid    29 and name     HG1) or 
        (resid    29 and name     HG2))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      3.238 3.238 0.809 ! 2.20215 D-0711-1578 D-0712-1578 

!*******assign ((resid    27 and name     HG1) or 
!*******        (resid    27 and name     HG2) or 
!*******        (resid    29 and name     HG1) or 
!*******        (resid    29 and name     HG2))   ((resid    29 and name     HG1) or 
!*******                                           (resid    29 and name     HG2))        2.055 2.055 0.514  ! 1.76391 D-0322-0859 D-0323-0859 

assign ((resid    27 and name     HG1) or 
        (resid    27 and name     HG2) or 
        (resid    29 and name     HG1) or 
        (resid    29 and name     HG2))   ((resid    29 and name      HN))      3.579 3.579 0.895 ! 2.1728 B-0109-0317 B-0110-0317 

assign ((resid    27 and name      HA))   ((resid    30 and name      HB))      2.557 0.639 0.639 ! 2.709 C-1691-2313 

assign ((resid    27 and name      HA))   ((resid    30 and name      HB))      2.534 0.633 0.633 ! 2.709 C-1957-2498 

assign ((resid    27 and name      HA))   ((resid    30 and name    HD1#))      2.515 2.515 0.629 ! 2.549 C-1685-2314 

assign ((resid    27 and name      HA))   ((resid    30 and name    HD1#))      2.480 2.480 0.620 ! 2.549 C-2036-2570 

assign ((resid    27 and name      HA))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      3.966 3.966 0.992 ! 3.69275 C-0157-0204 

assign ((resid    27 and name      HA))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      4.970 4.970 1.242 ! 3.69275 C-0169-0205 

assign ((resid    27 and name      HA))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      3.801 3.801 0.950 ! 3.69275 C-1681-2300 

assign ((resid    27 and name      HA))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      4.635 4.635 1.159 ! 3.69275 C-1680-2301 

assign ((resid    27 and name      HA))   ((resid    30 and name    HG2#))      3.697 3.697 0.924 ! 4.043 C-1682-2312 

assign ((resid    27 and name      HA))   ((resid    30 and name    HG2#))      3.439 3.439 0.860 ! 4.043 C-1878-2410 

assign ((resid    27 and name      HA))   ((resid    30 and name      HN))      3.645 0.911 0.911 ! 3.347 A-0208-0263 

assign ((resid    27 and name     HB2))   ((resid    30 and name    HD1#))      4.608 4.608 1.152 ! 5.162 C-2406-3019 

assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    30 and name    HD1#))      4.918 4.918 1.230 ! 4.67291 C-1224-1568 

assign ((resid    27 and name     HB2) or 
        (resid    31 and name     HG1) or 
        (resid    31 and name     HG2) or 
        (resid    33 and name     HB1))   ((resid    33 and name      HN))      2.909 2.909 0.727 ! 2.75895 B-0154-0485 B-0155-0485 B-0156-0485 

assign ((resid    27 and name      HA))   ((resid    38 and name      HA))      4.166 1.042 1.042 ! 4.666 C-0895-1144 

assign ((resid    27 and name      HA))   ((resid    38 and name      HA))      4.431 1.108 1.108 ! 4.666 C-1679-2307 

assign ((resid    27 and name      HA))   ((resid    38 and name     HB1))      4.926 1.232 1.232 ! 4.654 C-0015-0020 

assign ((resid    27 and name     HB1))   ((resid    38 and name      HA))      2.861 0.715 0.715 ! 2.849 C-0901-1146 

assign ((resid    27 and name     HB1))   ((resid    38 and name      HA))      3.090 0.772 0.772 ! 2.849 C-2368-3005 

assign ((resid    27 and name     HB1))   ((resid    38 and name     HB1))      3.379 0.845 0.845 ! 2.175 C-0013-0023 

assign ((resid    27 and name     HB1))   ((resid    38 and name     HB1))      3.280 0.820 0.820 ! 2.175 C-2367-2996 

assign ((resid    27 and name     HB1))   ((resid    38 and name     HG1) or 
                                           (resid    38 and name     HG2))      4.409 4.409 1.102 ! 3.07906 C-0565-0691 

assign ((resid    27 and name     HB1))   ((resid    38 and name     HG1) or 
                                           (resid    38 and name     HG2))      4.855 4.855 1.214 ! 3.07906 C-2361-2999 

assign ((resid    27 and name     HB1))   ((resid    38 and name     HG1) or 
                                           (resid    38 and name     HG2) or 
                                           (resid    54 and name     HG1) or 
                                           (resid    54 and name     HG2))      3.824 3.824 0.956 ! 3.07891 D-0143-0692 D-0142-0692 

assign ((resid    27 and name     HB1))   ((resid    38 and name     HG1) or 
                                           (resid    38 and name     HG2) or 
                                           (resid    54 and name     HG1) or 
                                           (resid    54 and name     HG2))      4.101 4.101 1.025 ! 3.07891 D-1181-3000 D-1180-3000 

assign ((resid    27 and name     HD1) or 
        (resid    27 and name     HD2))   ((resid    38 and name      HA))      3.717 3.717 0.929 ! 3.19756 C-0293-0327 

assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    38 and name      HA))      4.918 4.918 1.230 ! 4.96199 C-0890-1141 

assign ((resid    27 and name     HG1) or 
        (resid    27 and name     HG2))   ((resid    38 and name      HA))      4.641 4.641 1.160 ! 4.18162 C-0704-0901 

assign ((resid    27 and name     HG1) or 
        (resid    27 and name     HG2))   ((resid    38 and name      HA))      4.167 4.167 1.042 ! 4.18162 C-0891-1140 

assign ((resid    27 and name     HG1) or 
        (resid    27 and name     HG2) or 
        (resid    29 and name     HG1) or 
        (resid    29 and name     HG2))   ((resid    38 and name      HA))      4.537 4.537 1.134 ! 4.17597 D-0333-0862 D-0334-0862 

assign ((resid    27 and name     HD1) or 
        (resid    27 and name     HD2))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      4.926 4.926 1.232 ! 4.0813 C-0258-0333 

assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    41 and name     HB*) or 
                                           (resid    41 and name     HB*))      3.546 3.546 0.886 ! 2.62257 C-0142-0164 

assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    41 and name     HB*) or 
                                           (resid    41 and name     HB*))      3.232 3.232 0.808 ! 2.62257 C-1217-1558 

!**assign ((resid    27 and name     HG1) or 
!**        (resid    27 and name     HG2))   ((resid    41 and name     HB1) or 
!**                                           (resid    41 and name     HB2))        4.329 4.329 1.082  ! 2.81458 C-0139-0160 

assign ((resid    27 and name     HG1) or 
        (resid    27 and name     HG2))   ((resid    41 and name     HB*) or 
                                           (resid    41 and name     HB*))      4.149 4.149 1.037 ! 2.81458 C-0702-0897 

assign ((resid    27 and name     HG1) or 
        (resid    27 and name     HG2))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      4.785 4.785 1.196 ! 4.19981 C-0707-0911 

assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    42 and name      HA))      3.779 3.779 0.945 ! 3.64846 C-1215-1569 

assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    42 and name      HA))      3.751 3.751 0.938 ! 3.64846 C-2274-2880 

assign ((resid    27 and name      HA))   ((resid    43 and name     HD*))      3.710 3.710 0.927 ! 3.504 C-0726-0851 

assign ((resid    27 and name      HA))   ((resid    43 and name     HD*))      3.624 3.624 0.906 ! 3.504 C-1688-2304 

assign ((resid    27 and name      HA))   ((resid    43 and name     HD*))      4.732 4.732 1.183 ! 4.744 C-0941-1212 

assign ((resid    27 and name     HB1))   ((resid    43 and name     HD*))      4.627 4.627 1.157 ! 4.671 C-0731-0853 

assign ((resid    27 and name     HB2))   ((resid    43 and name     HD*))      4.448 4.448 1.112 ! 4.576 C-2354-3001 

assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    43 and name     HB1))      4.785 4.785 1.196 ! 4.67597 C-1173-1563 

assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    43 and name     HB2))      4.285 4.285 1.071 ! 3.37828 C-0828-1108 

assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    43 and name     HB2))      4.697 4.697 1.174 ! 3.37828 C-1172-1562 

assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    43 and name     HD*))      3.166 3.166 0.791 ! 2.43794 C-0662-0847 

assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    43 and name     HD*))      3.190 3.190 0.797 ! 2.43794 C-1222-1559 

assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    43 and name     HD*))      4.074 4.074 1.018 ! 4.10352 C-0944-1207 

assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    43 and name     HD*))      4.043 4.043 1.011 ! 4.10352 C-1216-1564 

assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    43 and name      HG))      3.573 3.573 0.893 ! 2.7328 C-0613-0717 

assign ((resid    27 and name      HN))   ((resid    43 and name     HD*) or 
                                           (resid    56 and name     HD*) or 
                                           (resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      4.176 4.176 1.044 ! 3.73016 B-0126-0366 B-0127-0366 B-0125-0366 

assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    52 and name     HB1))      3.404 3.404 0.851 ! 5.75356 C-1453-1895 

assign ((resid    27 and name     HE1) or 
        (resid    27 and name     HE2))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      4.928 4.928 1.232 ! 4.18623 D-0536-1253 D-0537-1253 

!*****assign ((resid    28 and name      HA))   ((resid    28 and name     HB#))       1.968 0.492 0.492  ! 2.152 C-1802-2334 

assign ((resid    28 and name      HA))   ((resid    28 and name      HN))      2.836 0.709 0.709 ! 2.858 A-0104-0128 

!*****assign ((resid    28 and name     HB#))   ((resid    28 and name      HA))       1.924 0.481 0.481  ! 2.152 C-2175-2794 

assign ((resid    28 and name     HB#))   ((resid    28 and name      HN))      2.045 2.045 0.511 ! 2.28 A-0102-0132 

assign ((resid    28 and name      HA))   ((resid    29 and name      HN))      3.883 0.971 0.971 ! 3.554 A-0260-0310 

assign ((resid    28 and name     HB#))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      4.964 4.964 1.241 ! 5.1427 C-1212-1585 

assign ((resid    28 and name     HB#))   ((resid    29 and name      HN))      2.608 2.608 0.652 ! 2.68 A-0254-0319 

assign ((resid    28 and name      HA))   ((resid    31 and name      HA))      4.342 1.085 1.085 ! 5.177 C-1647-2130 

assign ((resid    28 and name      HA))   ((resid    31 and name      HA))      4.728 1.182 1.182 ! 5.177 C-2225-2793 

assign ((resid    28 and name      HA))   ((resid    31 and name     HB1))      2.654 0.663 0.663 ! 2.722 C-0551-0653 

assign ((resid    28 and name      HA))   ((resid    31 and name     HB1))      2.762 0.691 0.691 ! 2.722 C-2176-2790 

assign ((resid    28 and name      HA))   ((resid    31 and name     HB2))      3.045 0.761 0.761 ! 3.341 C-0569-0654 

assign ((resid    28 and name      HA))   ((resid    31 and name     HG1) or 
                                           (resid    31 and name     HG2))      4.277 4.277 1.069 ! 4.69042 C-2226-2795 

assign ((resid    28 and name      HA))   ((resid    31 and name     HG1) or 
                                           (resid    31 and name     HG2))      4.320 4.320 1.080 ! 4.69042 C-2346-2992 

assign ((resid    28 and name      HA))   ((resid    31 and name     HG1) or 
                                           (resid    31 and name     HG2))      4.551 4.551 1.138 ! 4.69042 C-2407-2993 

assign ((resid    28 and name      HA))   ((resid    31 and name      HN))      3.311 0.828 0.828 ! 3.18 A-0099-0108 

assign ((resid    28 and name     HB#))   ((resid    31 and name     HB1))      3.922 3.922 0.981 ! 3.992 C-0553-0652 

assign ((resid    28 and name     HB#))   ((resid    31 and name     HB1))      4.218 4.218 1.054 ! 3.992 C-1804-2329 

assign ((resid    28 and name      HA))   ((resid    32 and name      HN))      4.297 1.074 1.074 ! 3.834 A-0276-0332 

!assign ((resid    28 and name     HB#))   ((resid    33 and name     HE1) or 
!                                           (resid    33 and name     HE2))        4.847 4.847 1.212  ! 8.41899 C-1277-1677 

assign ((resid    28 and name      HA))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      4.004 4.004 1.001 ! 4.50966 C-0267-0292 

assign ((resid    28 and name      HA))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      3.948 3.948 0.987 ! 4.50966 C-2178-2789 

assign ((resid    28 and name      HA))   ((resid    38 and name     HG1) or 
                                           (resid    38 and name     HG2))      3.531 3.531 0.883 ! 2.8752 C-0559-0689 

assign ((resid    28 and name      HA))   ((resid    38 and name     HG1) or 
                                           (resid    38 and name     HG2))      3.228 3.228 0.807 ! 2.8752 C-0590-0690 

assign ((resid    28 and name      HA))   ((resid    38 and name     HG1) or 
                                           (resid    38 and name     HG2))      3.765 3.765 0.941 ! 2.8752 C-2174-2791 

assign ((resid    28 and name      HA))   ((resid    38 and name     HG1) or 
                                           (resid    38 and name     HG2))      3.262 3.262 0.816 ! 2.8752 C-2177-2792 

!assign ((resid    29 and name      HA))   ((resid    29 and name     HB1))      2.707 0.677 0.677 ! 2.447 C-2450-3122 

assign ((resid    29 and name      HA))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      3.531 3.531 0.883 ! 4.07214 C-0360-0403 

assign ((resid    29 and name      HA))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      3.930 3.930 0.983 ! 4.07214 C-0367-0404 

assign ((resid    29 and name      HA))   ((resid    29 and name     HG1) or 
                                           (resid    29 and name     HG2))      2.958 2.958 0.740 ! 2.48762 C-0685-0869 

assign ((resid    29 and name      HA))   ((resid    29 and name      HN))      2.833 0.708 0.708 ! 2.848 A-0258-0318 

!assign ((resid    29 and name     HB1))   ((resid    29 and name      HA))      2.492 0.623 0.623 ! 2.447 C-1675-2175 

assign ((resid    29 and name     HB1))   ((resid    29 and name     HD1) or 
                                           (resid    29 and name     HD2))      3.290 3.290 0.823 ! 2.3992 C-0375-0408 

assign ((resid    29 and name     HB1))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      4.615 4.615 1.154 ! 4.00692 C-1206-1589 

!assign ((resid    29 and name     HB1))   ((resid    29 and name     HG1) or 
!                                           (resid    29 and name     HG2))      2.569 2.569 0.642 ! 2.30101 C-0689-0873 

assign ((resid    29 and name     HB1) or 
        (resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    29 and name      HN))      3.213 3.213 0.803 ! 3.61929 B-0111-0311 B-0112-0311 

assign ((resid    29 and name     HB2))   ((resid    29 and name      HN))      2.628 0.657 0.657 ! 2.546 A-0256-0312 

assign ((resid    29 and name     HD1) or 
        (resid    29 and name     HD2))   ((resid    29 and name      HA))      3.309 3.309 0.827 ! 4.07214 C-1671-2156 

assign ((resid    29 and name     HD1) or 
        (resid    29 and name     HD2))   ((resid    29 and name      HA))      3.730 3.730 0.932 ! 4.07214 C-1672-2157 

assign ((resid    29 and name     HD1) or 
        (resid    29 and name     HD2))   ((resid    29 and name     HB1))      2.750 2.750 0.688 ! 2.3992 C-2453-3105 

assign ((resid    29 and name     HD1) or 
        (resid    29 and name     HD2))   ((resid    29 and name     HB1))      3.248 3.248 0.812 ! 2.3992 C-2449-3106 

!*****assign ((resid    29 and name     HD1) or 
!*****        (resid    29 and name     HD2))   ((resid    29 and name     HD2) or 
!*****                                           (resid    29 and name     HD1))        1.960 1.960 0.490  ! 1.764 C-0361-0388 

!*****assign ((resid    29 and name     HD1) or 
!*****        (resid    29 and name     HD2))   ((resid    29 and name     HD2) or 
!*****                                           (resid    29 and name     HD1))        1.944 1.944 0.486  ! 1.764 C-0368-0389 

!assign ((resid    29 and name     HD1) or 
!        (resid    29 and name     HD2))   ((resid    29 and name     HE1) or 
!                                           (resid    29 and name     HE2))      2.843 2.843 0.711 ! 2.03062 C-1195-1573 

!**assign ((resid    29 and name     HD1) or 
!**        (resid    29 and name     HD2))   ((resid    29 and name     HE1) or 
!**                                           (resid    29 and name     HE2))        2.986 2.986 0.747  ! 2.03062 C-1209-1574 

!assign ((resid    29 and name     HD1) or 
!        (resid    29 and name     HD2))   ((resid    29 and name     HG1) or 
!                                           (resid    29 and name     HG2))      2.003 2.003 0.501 ! 2.07153 C-0684-0854 

!assign ((resid    29 and name     HD1) or 
!        (resid    29 and name     HD2))   ((resid    29 and name     HG1) or 
!                                           (resid    29 and name     HG2))      2.499 2.499 0.625 ! 2.07153 C-0683-0855 

!assign ((resid    29 and name     HD1) or 
!        (resid    29 and name     HD2))   ((resid    29 and name     HG1) or 
!                                           (resid    29 and name     HG2))      2.172 2.172 0.543 ! 2.07153 C-0691-0856 

!assign ((resid    29 and name     HD1) or 
!        (resid    29 and name     HD2))   ((resid    29 and name     HG1) or 
!                                           (resid    29 and name     HG2))      2.397 2.397 0.599 ! 2.07153 C-0692-0857 

assign ((resid    29 and name     HD1) or 
        (resid    29 and name     HD2))   ((resid    29 and name      HN))      3.423 3.423 0.856 ! 3.58826 A-0259-0313 

assign ((resid    29 and name     HD1) or 
        (resid    29 and name     HD2))   ((resid    29 and name      HN))      4.057 4.057 1.014 ! 3.58826 A-0253-0314 

assign ((resid    29 and name     HE1) or 
        (resid    29 and name     HE2))   ((resid    29 and name     HB1))      4.766 4.766 1.192 ! 4.00692 C-2447-3119 

!**assign ((resid    29 and name     HE1) or 
!**        (resid    29 and name     HE2))   ((resid    29 and name     HD1) or 
!**                                           (resid    29 and name     HD2))        2.978 2.978 0.745  ! 2.03062 C-0365-0400 

!**assign ((resid    29 and name     HE1) or 
!**        (resid    29 and name     HE2))   ((resid    29 and name     HD1) or 
!**                                           (resid    29 and name     HD2))        2.989 2.989 0.747  ! 2.03062 C-0374-0401 

!**assign ((resid    29 and name     HE1) or 
!**        (resid    29 and name     HE2))   ((resid    29 and name     HD1) or 
!**                                           (resid    29 and name     HD2))        3.238 3.238 0.809  ! 2.03062 C-0373-0402 

!*****assign ((resid    29 and name     HE1) or 
!*****        (resid    29 and name     HE2))   ((resid    29 and name     HE2) or 
!*****                                           (resid    29 and name     HE1))        1.468 1.468 0.367  ! 1.764 C-1205-1583 

assign ((resid    29 and name     HE1) or 
        (resid    29 and name     HE2))   ((resid    29 and name     HG1) or 
                                           (resid    29 and name     HG2))      3.448 3.448 0.862 ! 2.20229 C-0688-0865 

assign ((resid    29 and name     HE1) or 
        (resid    29 and name     HE2))   ((resid    29 and name     HG1) or 
                                           (resid    29 and name     HG2))      3.175 3.175 0.794 ! 2.20229 C-0690-0866 

assign ((resid    29 and name     HE1) or 
        (resid    29 and name     HE2))   ((resid    29 and name     HG1) or 
                                           (resid    29 and name     HG2))      3.294 3.294 0.824 ! 2.20229 C-0694-0867 

assign ((resid    29 and name     HG1) or 
        (resid    29 and name     HG2))   ((resid    29 and name      HA))      2.989 2.989 0.747 ! 2.48762 C-1674-2159 

assign ((resid    29 and name     HG1) or 
        (resid    29 and name     HG2))   ((resid    29 and name      HA))      2.604 2.604 0.651 ! 2.48762 C-1673-2160 

!assign ((resid    29 and name     HG1) or 
!        (resid    29 and name     HG2))   ((resid    29 and name     HB1))      2.674 2.674 0.668 ! 2.30101 C-2452-3111 

!assign ((resid    29 and name     HG1) or 
!        (resid    29 and name     HG2))   ((resid    29 and name     HB1))      2.975 2.975 0.744 ! 2.30101 C-2451-3112 

!assign ((resid    29 and name     HG1) or 
!        (resid    29 and name     HG2))   ((resid    29 and name     HD1) or 
!                                           (resid    29 and name     HD2))      1.922 1.922 0.480 ! 2.07153 C-0363-0391 

!assign ((resid    29 and name     HG1) or 
!        (resid    29 and name     HG2))   ((resid    29 and name     HD1) or 
!                                           (resid    29 and name     HD2))      2.437 2.437 0.609 ! 2.07153 C-0370-0392 

!assign ((resid    29 and name     HG1) or 
!        (resid    29 and name     HG2))   ((resid    29 and name     HD1) or 
!                                           (resid    29 and name     HD2))      2.434 2.434 0.609 ! 2.07153 C-0376-0393 

assign ((resid    29 and name     HG1) or 
        (resid    29 and name     HG2))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      3.190 3.190 0.797 ! 2.20229 C-1193-1576 

assign ((resid    29 and name     HG1) or 
        (resid    29 and name     HG2))   ((resid    29 and name     HE1) or 
                                           (resid    29 and name     HE2))      3.090 3.090 0.772 ! 2.20229 C-1211-1577 

!*****assign ((resid    29 and name     HG1) or 
!*****        (resid    29 and name     HG2))   ((resid    29 and name     HG2) or 
!*****                                           (resid    29 and name     HG1))        2.009 2.009 0.502  ! 1.764 C-0686-0858 

assign ((resid    29 and name     HG1) or 
        (resid    29 and name     HG2))   ((resid    29 and name      HN))      2.792 2.792 0.698 ! 2.1739 A-0257-0316 

assign ((resid    29 and name      HA))   ((resid    30 and name      HN))      3.894 0.974 0.974 ! 3.535 A-0220-0262 

assign ((resid    29 and name     HB1) or 
        (resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    30 and name      HN))      3.866 3.866 0.967 ! 3.71887 B-0086-0254 B-0087-0254 

assign ((resid    29 and name     HB2))   ((resid    30 and name      HN))      3.306 0.827 0.827 ! 2.7 A-0207-0255 

assign ((resid    29 and name     HB1) or 
        (resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    31 and name      HN))      4.071 4.071 1.018 ! 3.96471 B-0042-0110 B-0043-0110 

assign ((resid    29 and name      HA))   ((resid    32 and name     HB*))      2.980 2.980 0.745 ! 2.907 C-1476-1945 

assign ((resid    29 and name      HA))   ((resid    32 and name     HB*))      3.190 3.190 0.797 ! 3.029 C-1471-1944 

assign ((resid    29 and name      HA))   ((resid    32 and name     HB*))      2.652 2.652 0.663 ! 3.029 C-1676-2166 

assign ((resid    29 and name      HA))   ((resid    32 and name      HN))      3.074 0.768 0.768 ! 3.51 A-0274-0339 

assign ((resid    29 and name     HB1) or 
        (resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    32 and name      HN))      4.395 4.395 1.099 ! 3.31239 B-0117-0334 B-0118-0334 

assign ((resid    29 and name     HD1) or 
        (resid    29 and name     HD2) or 
        (resid    40 and name     HB2))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      4.376 4.376 1.094 ! 3.38115 D-1184-3063 D-1185-3063 

!assign ((resid    30 and name      HA))   ((resid    30 and name      HB))      3.184 0.796 0.796 ! 3.039 C-1956-2496 

assign ((resid    30 and name      HA))   ((resid    30 and name    HD1#))      2.911 2.911 0.728 ! 3.897 C-2033-2567 

assign ((resid    30 and name      HA))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      2.773 2.773 0.693 ! 2.45028 C-0154-0197 

assign ((resid    30 and name      HA))   ((resid    30 and name    HG11) or 
                                           (resid    30 and name    HG12))      2.776 2.776 0.694 ! 2.45028 C-0170-0198 

assign ((resid    30 and name      HA))   ((resid    30 and name    HG2#))      2.262 2.262 0.566 ! 2.624 C-1875-2406 

assign ((resid    30 and name      HA))   ((resid    30 and name      HN))      3.145 0.786 0.786 ! 2.88 A-0210-0259 

!assign ((resid    30 and name      HB))   ((resid    30 and name      HA))      3.134 0.783 0.783 ! 3.039 C-0919-1165 

assign ((resid    30 and name      HB))   ((resid    30 and name    HD1#))      2.361 2.361 0.590 ! 2.238 C-2041-2572 

!assign ((resid    30 and name      HB))   ((resid    30 and name    HG11) or 
!                                           (resid    30 and name    HG12))      3.335 3.335 0.834 ! 2.4502 C-0173-0207 

!assign ((resid    30 and name      HB))   ((resid    30 and name    HG2#))      2.094 2.094 0.523 ! 2.097 C-1885-2411 

!**assign ((resid    30 and name    HD1#))   ((resid    30 and name      HA))       2.854 0.714 0.714  ! 3.897 C-0915-1166 

assign ((resid    30 and name    HD1#))   ((resid    30 and name      HB))      2.346 2.346 0.587 ! 2.238 C-1960-2500 

!*****assign ((resid    30 and name    HD1#))   ((resid    30 and name    HG11) or 
!*****                                           (resid    30 and name    HG12))        2.068 2.068 0.517  ! 2.168 C-0156-0208 

!*****assign ((resid    30 and name    HD1#))   ((resid    30 and name    HG11) or 
!*****                                           (resid    30 and name    HG12))        2.006 2.006 0.501  ! 2.168 C-0172-0209 

!assign ((resid    30 and name    HD1#))   ((resid    30 and name    HG2#))      1.944 1.944 0.486 ! 2.118 C-1881-2412 

assign ((resid    30 and name    HD1#))   ((resid    30 and name      HN))      3.294 3.294 0.824 ! 3.639 A-0223-0253 

assign ((resid    30 and name    HG11) or 
        (resid    30 and name    HG12))   ((resid    30 and name      HA))      2.835 2.835 0.709 ! 2.45028 C-0914-1157 

assign ((resid    30 and name    HG11) or 
        (resid    30 and name    HG12))   ((resid    30 and name      HA))      2.605 2.605 0.651 ! 2.45028 C-0912-1158 

!assign ((resid    30 and name    HG11) or 
!        (resid    30 and name    HG12))   ((resid    30 and name      HB))      3.305 3.305 0.826 ! 2.4502 C-1958-2495 

!*****assign ((resid    30 and name    HG11) or 
!*****        (resid    30 and name    HG12))   ((resid    30 and name    HD1#))        2.155 2.155 0.539  ! 2.168 C-2032-2560 

!*****assign ((resid    30 and name    HG11) or 
!*****        (resid    30 and name    HG12))   ((resid    30 and name    HD1#))        1.929 1.929 0.482  ! 2.168 C-2034-2561 

!*****assign ((resid    30 and name    HG11) or 
!*****        (resid    30 and name    HG12))   ((resid    30 and name    HG12) or 
!*****                                           (resid    30 and name    HG11))        1.974 1.974 0.493  ! 1.763 C-0155-0189 

!*****assign ((resid    30 and name    HG11) or 
!*****        (resid    30 and name    HG12))   ((resid    30 and name    HG12) or 
!*****                                           (resid    30 and name    HG11))        2.072 2.072 0.518  ! 1.763 C-0168-0190 

!assign ((resid    30 and name    HG11) or 
!        (resid    30 and name    HG12))   ((resid    30 and name    HG2#))      2.909 2.909 0.727 ! 2.21807 C-1880-2403 

!assign ((resid    30 and name    HG11) or 
!        (resid    30 and name    HG12))   ((resid    30 and name    HG2#))      2.813 2.813 0.703 ! 2.21807 C-1877-2404 

assign ((resid    30 and name    HG11) or 
        (resid    30 and name    HG12))   ((resid    30 and name      HN))      2.601 2.601 0.650 ! 2.57248 A-0221-0256 

assign ((resid    30 and name    HG11) or 
        (resid    30 and name    HG12))   ((resid    30 and name      HN))      3.561 3.561 0.890 ! 2.57248 A-0209-0257 

assign ((resid    30 and name    HG2#))   ((resid    30 and name      HA))      2.262 2.262 0.566 ! 2.624 C-0911-1164 

!assign ((resid    30 and name    HG2#))   ((resid    30 and name      HB))      2.117 2.117 0.529 ! 2.097 C-1959-2499 

!assign ((resid    30 and name    HG2#))   ((resid    30 and name    HD1#))      1.937 1.937 0.484 ! 2.118 C-2037-2571 

!assign ((resid    30 and name    HG2#))   ((resid    30 and name    HG11) or 
!                                           (resid    30 and name    HG12))      2.927 2.927 0.732 ! 2.21807 C-0152-0206 

assign ((resid    30 and name    HG2#))   ((resid    30 and name      HN))      3.476 3.476 0.869 ! 3.807 A-0222-0264 

assign ((resid    30 and name      HA))   ((resid    31 and name      HA))      4.910 1.228 1.228 ! 4.791 C-0933-1162 

assign ((resid    30 and name      HA))   ((resid    31 and name      HN))      4.064 1.016 1.016 ! 3.573 A-0093-0113 

assign ((resid    30 and name      HB))   ((resid    31 and name      HN))      3.104 0.776 0.776 ! 2.837 A-0100-0116 

assign ((resid    30 and name    HG2#))   ((resid    31 and name      HA))      3.584 3.584 0.896 ! 3.324 C-1640-2127 

assign ((resid    30 and name    HG2#))   ((resid    31 and name      HA))      3.557 3.557 0.889 ! 3.324 C-1876-2409 

assign ((resid    30 and name    HG2#))   ((resid    31 and name      HN))      3.525 3.525 0.881 ! 3.393 A-0096-0115 

assign ((resid    30 and name      HA))   ((resid    33 and name     HB1))      3.510 0.877 0.877 ! 4.633 C-2290-2938 

assign ((resid    30 and name      HA))   ((resid    33 and name     HB2))      3.351 0.838 0.838 ! 5.355 C-2304-2939 

assign ((resid    30 and name      HA))   ((resid    33 and name     HD1) or 
                                           (resid    33 and name     HD2))      4.699 4.699 1.175 ! 4.2733 C-0909-1159 

assign ((resid    30 and name      HA))   ((resid    33 and name     HG1) or 
                                           (resid    33 and name     HG2))      3.930 3.930 0.983 ! 2.67661 C-0813-1009 

assign ((resid    30 and name      HA))   ((resid    33 and name     HG1) or 
                                           (resid    33 and name     HG2))      3.779 3.779 0.945 ! 2.67661 C-0917-1160 

assign ((resid    30 and name      HA))   ((resid    33 and name      HN))      3.564 0.891 0.891 ! 3.277 A-0409-0488 

assign ((resid    30 and name    HG2#))   ((resid    33 and name     HB1))      4.332 4.332 1.083 ! 6.088 C-2291-2944 

assign ((resid    30 and name      HA))   ((resid    34 and name     HB*))      4.979 4.979 1.245 ! 6.039 C-0062-0032 

assign ((resid    30 and name      HA))   ((resid    34 and name     HG1) or 
                                           (resid    34 and name     HG2))      4.124 4.124 1.031 ! 3.93295 C-0918-1167 

assign ((resid    30 and name      HA))   ((resid    34 and name     HG1) or 
                                           (resid    34 and name     HG2))      4.326 4.326 1.081 ! 3.93295 C-2094-2638 

assign ((resid    30 and name      HA))   ((resid    34 and name      HN))      4.137 1.034 1.034 ! 3.832 A-0431-0516 

assign ((resid    30 and name    HD1#))   ((resid    34 and name     HB*))      4.449 4.449 1.112 ! 5.646 C-0025-0040 

assign ((resid    30 and name    HG2#))   ((resid    34 and name     HB*))      3.134 3.134 0.783 ! 4.194 C-0057-0039 

!assign ((resid    30 and name    HG2#))   ((resid    34 and name     HB1))       2.855 0.714 0.714  ! 4.194 C-1879-2402 

assign ((resid    30 and name    HG2#))   ((resid    34 and name     HB*))      3.481 3.481 0.870 ! 2.858 C-0026-0038 

assign ((resid    30 and name    HG2#))   ((resid    34 and name     HB*))      3.400 3.400 0.850 ! 2.858 C-1882-2401 

assign ((resid    30 and name    HG2#))   ((resid    34 and name     HG1) or 
                                           (resid    34 and name     HG2))      2.761 2.761 0.690 ! 3.14127 C-1884-2413 

assign ((resid    30 and name    HG2#))   ((resid    34 and name     HG1) or 
                                           (resid    34 and name     HG2))      3.101 3.101 0.775 ! 3.14127 C-2089-2640 

assign ((resid    30 and name    HG2#))   ((resid    34 and name      HN))      3.813 3.813 0.953 ! 3.738 A-0427-0520 

assign ((resid    30 and name    HG2#))   ((resid    36 and name      HB))      2.790 2.790 0.698 ! 2.679 C-1486-1935 

assign ((resid    30 and name    HG2#))   ((resid    36 and name      HB))      2.685 2.685 0.671 ! 2.679 C-1886-2408 

assign ((resid    30 and name    HG2#))   ((resid    36 and name    HD1#))      2.679 2.679 0.670 ! 2.537 C-2306-2893 

assign ((resid    30 and name    HG2#))   ((resid    36 and name      HN))      3.779 3.779 0.945 ! 3.382 A-0261-0331 

assign ((resid    30 and name      HB))   ((resid    41 and name    HE21))      3.787 0.947 0.947 ! 3.782 A-0052-0055 

assign ((resid    30 and name      HB))   ((resid    41 and name    HE22))      3.343 0.836 0.836 ! 2.249 A-0045-0054 

assign ((resid    30 and name    HG2#))   ((resid    41 and name    HE21))      3.612 3.612 0.903 ! 3.316 A-0048-0053 

assign ((resid    30 and name    HG2#))   ((resid    41 and name    HE22))      3.589 3.589 0.897 ! 2.761 A-0043-0052 

assign ((resid    30 and name    HG2#))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      4.641 4.641 1.160 ! 3.33086 C-1838-2414 

assign ((resid    30 and name    HG2#))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      4.602 4.602 1.151 ! 3.33086 C-2398-3082 

assign ((resid    30 and name    HG2#))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      4.105 4.105 1.026 ! 3.33086 C-2415-3083 

assign ((resid    30 and name      HB))   ((resid    43 and name     HD*))      4.225 4.225 1.056 ! 5.014 C-1961-2497 

assign ((resid    30 and name    HD1#))   ((resid    43 and name      HA))      4.962 4.962 1.240 ! 5.374 C-2039-2559 

assign ((resid    30 and name    HD1#))   ((resid    43 and name     HD*))      2.621 2.621 0.655 ! 2.688 C-0730-0852 

assign ((resid    30 and name    HD1#))   ((resid    43 and name     HD*))      2.321 2.321 0.580 ! 2.688 C-2035-2565 

assign ((resid    30 and name    HD1#))   ((resid    43 and name     HD*))      2.277 2.277 0.569 ! 2.404 C-0942-1214 

assign ((resid    30 and name    HD1#))   ((resid    43 and name     HD*))      2.079 2.079 0.520 ! 2.404 C-2031-2568 

assign ((resid    30 and name    HG11) or 
        (resid    30 and name    HG12))   ((resid    43 and name     HD*))      3.339 3.339 0.835 ! 4.1965 C-0167-0200 

assign ((resid    30 and name    HD1#))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2) or 
                                           (resid    69 and name     HB1))      4.400 4.400 1.100 ! 4.1047 D-0613-1342 D-0614-1342 

assign ((resid    30 and name    HD1#))   ((resid    69 and name     HB1))      4.402 4.402 1.101 ! 4.688 C-2042-2569 

assign ((resid    30 and name    HD1#))   ((resid    69 and name     HB2))      4.228 4.228 1.057 ! 3.51 C-0984-1343 

assign ((resid    30 and name    HD1#))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.556 2.556 0.639 ! 2.49912 C-1018-1283 

assign ((resid    30 and name    HG2#))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.453 2.453 0.613 ! 2.35141 C-0732-0939 

assign ((resid    30 and name    HG2#))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.368 2.368 0.592 ! 2.35141 C-1883-2405 

assign ((resid    30 and name    HG2#))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.755 2.755 0.689 ! 2.34847 D-0532-1259 D-0533-1259 

assign ((resid    30 and name    HG2#))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.626 2.626 0.656 ! 2.34847 D-1007-2407 D-1008-2407 

!assign ((resid    31 and name      HA))   ((resid    31 and name     HB1))      2.813 0.703 0.703 ! 3.022 C-0550-0650 

!assign ((resid    31 and name      HA))   ((resid    31 and name     HB2))      2.537 0.634 0.634 ! 2.435 C-0566-0651 

assign ((resid    31 and name      HA))   ((resid    31 and name     HG1) or 
                                           (resid    31 and name     HG2))      2.905 2.905 0.726 ! 2.38829 C-2345-2988 

assign ((resid    31 and name      HA))   ((resid    31 and name     HG1) or 
                                           (resid    31 and name     HG2))      2.683 2.683 0.671 ! 2.38829 C-2360-2989 

assign ((resid    31 and name      HA))   ((resid    31 and name      HN))      2.973 0.743 0.743 ! 2.853 A-0095-0114 

!assign ((resid    31 and name     HB1))   ((resid    31 and name      HA))      2.935 0.734 0.734 ! 3.022 C-1643-2120 

!*****assign ((resid    31 and name     HB1))   ((resid    31 and name     HB2))       1.991 0.498 0.498  ! 1.763 C-0568-0646 

!assign ((resid    31 and name     HB1))   ((resid    31 and name     HG1) or 
!                                           (resid    31 and name     HG2))      2.620 2.620 0.655 ! 2.34589 C-2344-2982 

!assign ((resid    31 and name     HB1))   ((resid    31 and name     HG1) or 
!                                           (resid    31 and name     HG2))      2.840 2.840 0.710 ! 2.34589 C-2359-2983 

assign ((resid    31 and name     HB1))   ((resid    31 and name      HN))      2.714 0.678 0.678 ! 2.606 A-0094-0111 

!assign ((resid    31 and name     HB2))   ((resid    31 and name      HA))      2.501 0.625 0.625 ! 2.435 C-1642-2121 

!*****assign ((resid    31 and name     HB2))   ((resid    31 and name     HB1))       1.937 0.484 0.484  ! 1.763 C-0552-0645 

assign ((resid    31 and name     HB2))   ((resid    31 and name      HN))      2.704 0.676 0.676 ! 2.688 A-0098-0112 

assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    31 and name      HA))      2.950 2.950 0.738 ! 2.38829 C-1651-2131 

assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    31 and name      HA))      2.722 2.722 0.680 ! 2.38829 C-1649-2132 

!assign ((resid    31 and name     HG1) or 
!        (resid    31 and name     HG2))   ((resid    31 and name     HB1))      2.536 2.536 0.634 ! 2.34589 C-0555-0655 

!assign ((resid    31 and name     HG1) or 
!        (resid    31 and name     HG2))   ((resid    31 and name     HB1))      2.787 2.787 0.697 ! 2.34589 C-0556-0656 

!assign ((resid    31 and name     HG1) or 
!        (resid    31 and name     HG2))   ((resid    31 and name     HB2))      2.482 2.482 0.621 ! 2.42093 C-0572-0657 

!assign ((resid    31 and name     HG1) or 
!        (resid    31 and name     HG2))   ((resid    31 and name     HB2))      2.528 2.528 0.632 ! 2.42093 C-0571-0658 

assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    31 and name    HE21))      3.641 3.641 0.910 ! 2.30825 A-0463-0557 

!*****assign ((resid    31 and name     HG1) or 
!*****        (resid    31 and name     HG2))   ((resid    31 and name     HG2) or 
!*****                                           (resid    31 and name     HG1))        1.966 1.966 0.491  ! 1.763 C-2342-2994 

!*****assign ((resid    31 and name     HG1) or 
!*****        (resid    31 and name     HG2))   ((resid    31 and name     HG2) or 
!*****                                           (resid    31 and name     HG1))        1.919 1.919 0.480  ! 1.763 C-2357-2995 

assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    31 and name      HN))      4.234 4.234 1.058 ! 4.0509 A-0097-0109 

assign ((resid    31 and name      HA))   ((resid    32 and name      HN))      3.709 0.927 0.927 ! 3.519 A-0271-0338 

assign ((resid    31 and name     HB1))   ((resid    32 and name      HN))      2.839 0.710 0.710 ! 2.303 A-0275-0335 

assign ((resid    31 and name     HB2))   ((resid    32 and name      HN))      3.543 0.886 0.886 ! 3.692 A-0272-0336 

assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    32 and name      HA))      3.957 3.957 0.989 ! 3.39572 C-1990-2525 

assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    32 and name      HA))      4.151 4.151 1.038 ! 3.39572 C-2343-2991 

assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    32 and name      HN))      4.003 4.003 1.001 ! 3.34049 A-0270-0333 

assign ((resid    31 and name      HA))   ((resid    34 and name     HB*))      4.920 4.920 1.230 ! 5.84 C-0023-0036 

assign ((resid    31 and name      HA))   ((resid    34 and name     HB*))      4.838 4.838 1.210 ! 5.84 C-1648-2118 

assign ((resid    31 and name      HA))   ((resid    34 and name      HN))      4.184 1.046 1.046 ! 3.737 A-0435-0518 

assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2) or 
        (resid    33 and name     HB1))   ((resid    34 and name      HN))      3.270 3.270 0.818 ! 4.06387 B-0159-0512 B-0160-0512 

assign ((resid    31 and name      HA))   ((resid    35 and name     HA*))      4.427 4.427 1.107 ! 4.686 C-0802-1002 

assign ((resid    31 and name      HA))   ((resid    35 and name     HA*))      3.994 3.994 0.999 ! 3.475 C-0807-1003 

assign ((resid    31 and name      HA))   ((resid    35 and name      HN))      3.008 0.752 0.752 ! 3.025 A-0482-0581 

assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    35 and name     HA*))      4.691 4.691 1.173 ! 2.88139 C-0804-1006 

assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    35 and name     HA*))      4.712 4.712 1.178 ! 2.88139 C-0805-1007 

assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    35 and name     HA*))      4.611 4.611 1.153 ! 2.88139 C-2341-2984 

assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    35 and name     HA*))      4.706 4.706 1.177 ! 2.88139 C-2355-2985 

assign ((resid    31 and name      HA))   ((resid    36 and name      HB))      4.340 1.085 1.085 ! 3.688 C-1482-1933 

assign ((resid    31 and name      HA))   ((resid    36 and name      HB))      4.112 1.028 1.028 ! 3.688 C-1650-2125 

assign ((resid    31 and name      HA))   ((resid    36 and name    HG2#))      4.466 4.466 1.117 ! 4.719 C-1645-2126 

assign ((resid    31 and name      HA))   ((resid    36 and name    HG2#))      4.423 4.423 1.106 ! 4.719 C-1714-2262 

assign ((resid    31 and name      HA))   ((resid    36 and name      HN))      2.443 0.611 0.611 ! 2.644 A-0264-0328 

assign ((resid    31 and name      HA))   ((resid    37 and name      HA))      4.602 1.151 1.151 ! 4.753 C-1430-1880 

assign ((resid    31 and name      HA))   ((resid    37 and name      HA))      4.732 1.183 1.183 ! 4.753 C-1646-2124 

assign ((resid    31 and name     HB1))   ((resid    37 and name      HA))      4.349 1.087 1.087 ! 5.09 C-0554-0648 

assign ((resid    31 and name     HB1))   ((resid    37 and name      HA))      4.712 1.178 1.178 ! 5.09 C-1434-1876 

assign ((resid    31 and name     HB2))   ((resid    37 and name      HA))      3.660 0.915 0.915 ! 3.682 C-0567-0649 

assign ((resid    31 and name    HE21))   ((resid    37 and name      HA))      3.930 0.983 0.983 ! 2.962 A-0464-0559 

assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    37 and name      HA))      4.056 4.056 1.014 ! 3.29032 C-1438-1881 

assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    37 and name      HA))      4.128 4.128 1.032 ! 3.29032 C-2347-2986 

assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    37 and name      HA))      3.448 3.448 0.862 ! 3.29032 C-2358-2987 

assign ((resid    31 and name      HA))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      4.725 4.725 1.181 ! 4.5691 C-0268-0291 

assign ((resid    31 and name      HA))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      4.358 4.358 1.089 ! 4.5691 C-1652-2119 

assign ((resid    31 and name     HB1))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      3.672 3.672 0.918 ! 3.85576 C-0224-0286 

assign ((resid    31 and name     HB1))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      3.343 3.343 0.836 ! 3.85576 C-0557-0643 

assign ((resid    31 and name     HB1))   ((resid    38 and name     HG1) or 
                                           (resid    38 and name     HG2))      3.765 3.765 0.941 ! 3.44981 C-0549-0647 

assign ((resid    31 and name     HB1))   ((resid    38 and name     HG1) or 
                                           (resid    38 and name     HG2))      4.385 4.385 1.096 ! 3.44981 C-0587-0681 

assign ((resid    31 and name     HB2))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      2.859 2.859 0.715 ! 2.68709 C-0570-0644 

assign ((resid    31 and name    HE22))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      3.710 3.710 0.927 ! 2.4276 A-0465-0558 

assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      3.939 3.939 0.985 ! 3.31731 C-2404-2980 

assign ((resid    31 and name     HG1) or 
        (resid    31 and name     HG2))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      3.584 3.584 0.896 ! 3.31731 C-2356-2981 

assign ((resid    31 and name      HN) or 
        (resid    72 and name      HN))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      3.522 3.522 0.880 ! 4.23826 B-0032-0105 B-0033-0105 B-0034-0105 

assign ((resid    31 and name      HN) or 
        (resid    72 and name      HN))   ((resid    71 and name     HD*) or 
                                           (resid    69 and name     HD*) or 
                                           (resid    73 and name     HD*))      4.335 4.335 1.084 ! 3.02122 B-0035-0104 B-0036-0104 B-0037-0104 

!assign ((resid    32 and name      HA))   ((resid    32 and name     HB*))      2.510 2.510 0.627 ! 3.002 C-1475-1948 

!assign ((resid    32 and name      HA))   ((resid    32 and name     HB*))      2.508 2.508 0.627 ! 2.684 C-1470-1947 

assign ((resid    32 and name      HA))   ((resid    32 and name      HN))      2.544 0.636 0.636 ! 2.841 A-0273-0340 

!**assign ((resid    32 and name     HB1))   ((resid    32 and name      HA))       2.142 0.535 0.535  ! 3.002 C-1989-2524 

!*****assign ((resid    32 and name     HB1))   ((resid    32 and name     HB2))       1.332 0.333 0.333  ! 1.763 C-1469-1942 

assign ((resid    32 and name     HB*) or 
        (resid    32 and name     HB*))   ((resid    32 and name      HN))      2.293 2.293 0.573 ! 2.10055 B-0203-0337 B-0204-0337 

!*****assign ((resid    32 and name     HB2))   ((resid    32 and name     HB1))       1.314 0.329 0.329  ! 1.763 C-1474-1943 

assign ((resid    32 and name     HB*))   ((resid    33 and name     HG1) or 
                                           (resid    33 and name     HG2))      4.239 4.239 1.060 ! 4.42885 C-0815-1012 

assign ((resid    32 and name     HB*))   ((resid    33 and name     HG1) or 
                                           (resid    33 and name     HG2))      4.489 4.489 1.122 ! 4.42885 C-1473-1941 

assign ((resid    32 and name     HB*) or 
        (resid    32 and name     HB*))   ((resid    33 and name      HN))      3.000 3.000 0.750 ! 2.77696 B-0205-0490 B-0206-0490 

assign ((resid    32 and name     HB*))   ((resid    33 and name     HG1) or 
                                           (resid    33 and name     HG2))      4.466 4.466 1.117 ! 5.64802 C-1472-1940 

!assign ((resid    33 and name      HA))   ((resid    33 and name     HB1))      2.601 0.650 0.650 ! 2.517 C-2288-2945 

!assign ((resid    33 and name      HA))   ((resid    33 and name     HB2))      2.734 0.683 0.683 ! 2.277 C-2302-2946 

assign ((resid    33 and name      HA))   ((resid    33 and name     HD1) or 
                                           (resid    33 and name     HD2))      2.946 2.946 0.737 ! 4.0816 C-0437-0508 

assign ((resid    33 and name      HA))   ((resid    33 and name     HE1) or 
                                           (resid    33 and name     HE2))      4.838 4.838 1.210 ! 4.07399 C-1282-1678 

assign ((resid    33 and name      HA))   ((resid    33 and name     HG1) or 
                                           (resid    33 and name     HG2))      2.581 2.581 0.645 ! 3.4199 C-0811-1014 

assign ((resid    33 and name      HA))   ((resid    33 and name      HN))      2.719 0.680 0.680 ! 2.993 A-0406-0491 

!assign ((resid    33 and name     HB1))   ((resid    33 and name      HA))      2.344 0.586 0.586 ! 2.517 C-1892-2438 

assign ((resid    33 and name     HB1))   ((resid    33 and name     HD1) or 
                                           (resid    33 and name     HD2))      3.169 3.169 0.792 ! 3.20487 C-0435-0511 

!assign ((resid    33 and name     HB2))   ((resid    33 and name      HA))      2.716 0.679 0.679 ! 2.277 C-1891-2439 

assign ((resid    33 and name     HB2))   ((resid    33 and name     HD1) or 
                                           (resid    33 and name     HD2))      2.958 2.958 0.740 ! 2.15922 C-0436-0512 

!assign ((resid    33 and name     HB2))   ((resid    33 and name     HG1) or 
!                                           (resid    33 and name     HG2))      1.929 1.929 0.482 ! 2.46562 C-0816-1017 

assign ((resid    33 and name     HB2))   ((resid    33 and name      HN))      2.460 0.615 0.615 ! 3.789 A-0407-0486 

assign ((resid    33 and name     HD1) or 
        (resid    33 and name     HD2))   ((resid    33 and name      HA))      2.618 2.618 0.654 ! 4.0816 C-1888-2435 

assign ((resid    33 and name     HD1) or 
        (resid    33 and name     HD2))   ((resid    33 and name     HB1))      2.925 2.925 0.731 ! 3.20487 C-2289-2934 

assign ((resid    33 and name     HD1) or 
        (resid    33 and name     HD2))   ((resid    33 and name     HB2))      2.886 2.886 0.722 ! 2.15922 C-2303-2935 

!assign ((resid    33 and name     HD1) or 
!        (resid    33 and name     HD2))   ((resid    33 and name     HE1) or 
!                                           (resid    33 and name     HE2))      2.790 2.790 0.698 ! 2.09345 C-1278-1671 

!assign ((resid    33 and name     HD1) or 
!        (resid    33 and name     HD2))   ((resid    33 and name     HG1) or 
!                                           (resid    33 and name     HG2))      1.548 1.548 0.387 ! 2.02985 C-0810-1008 

assign ((resid    33 and name     HD1) or 
        (resid    33 and name     HD2))   ((resid    33 and name      HN))      4.306 4.306 1.077 ! 4.6011 A-0408-0487 

assign ((resid    33 and name     HE1) or 
        (resid    33 and name     HE2))   ((resid    33 and name      HA))      4.263 4.263 1.066 ! 4.07399 C-1890-2437 

assign ((resid    33 and name     HE1) or 
        (resid    33 and name     HE2))   ((resid    33 and name     HB1))      4.145 4.145 1.036 ! 2.29658 D-1156-2940 D-1155-2940 

assign ((resid    33 and name     HE1) or 
        (resid    33 and name     HE2))   ((resid    33 and name     HB2))      4.033 4.033 1.008 ! 2.13364 D-1133-2941 D-1132-2941 

!assign ((resid    33 and name     HE1) or 
!        (resid    33 and name     HE2))   ((resid    33 and name     HD1) or 
!                                           (resid    33 and name     HD2))      2.565 2.565 0.641 ! 2.09345 D-0118-0506 D-0117-0506 

assign ((resid    33 and name     HE1) or 
        (resid    33 and name     HE2))   ((resid    33 and name     HG1) or 
                                           (resid    33 and name     HG2))      2.640 2.640 0.660 ! 2.40555 D-0350-1011 D-0349-1011 

assign ((resid    33 and name     HG1) or 
        (resid    33 and name     HG2))   ((resid    33 and name      HA))      2.513 2.513 0.628 ! 3.4199 C-1889-2436 

!assign ((resid    33 and name     HG1) or 
!        (resid    33 and name     HG2))   ((resid    33 and name     HB1))      2.159 2.159 0.540 ! 2.11662 C-2287-2936 

!assign ((resid    33 and name     HG1) or 
!        (resid    33 and name     HG2))   ((resid    33 and name     HB2))      2.090 2.090 0.522 ! 2.46562 C-2301-2937 

!assign ((resid    33 and name     HG1) or 
!        (resid    33 and name     HG2))   ((resid    33 and name     HD1) or 
!                                           (resid    33 and name     HD2))      1.691 1.691 0.423 ! 2.02985 C-0433-0504 

assign ((resid    33 and name     HG1) or 
        (resid    33 and name     HG2))   ((resid    33 and name     HE1) or 
                                           (resid    33 and name     HE2))      2.954 2.954 0.739 ! 2.40555 C-1284-1672 

assign ((resid    33 and name     HG1) or 
        (resid    33 and name     HG2))   ((resid    33 and name      HN))      2.687 2.687 0.672 ! 2.74589 A-0405-0489 

assign ((resid    33 and name      HA))   ((resid    34 and name      HN))      3.704 0.926 0.926 ! 3.343 A-0428-0519 

assign ((resid    33 and name     HB2))   ((resid    34 and name      HN))      3.025 0.756 0.756 ! 4.26 A-0429-0513 

!**assign ((resid    33 and name     HG1) or 
!**        (resid    33 and name     HG2))   ((resid    34 and name     HB2))        4.446 4.446 1.111  ! 3.92958 C-0029-0030 

assign ((resid    33 and name     HG1) or 
        (resid    33 and name     HG2))   ((resid    34 and name     HG1) or 
                                           (resid    34 and name     HG2))      3.863 3.863 0.966 ! 2.20409 C-0814-1015 

assign ((resid    33 and name     HG1) or 
        (resid    33 and name     HG2))   ((resid    34 and name     HG1) or 
                                           (resid    34 and name     HG2))      4.159 4.159 1.040 ! 2.20409 C-2087-2637 

assign ((resid    33 and name     HG1) or 
        (resid    33 and name     HG2))   ((resid    34 and name      HN))      4.043 4.043 1.011 ! 2.96521 A-0434-0517 

!assign ((resid    34 and name      HA))   ((resid    34 and name     HB*))      3.014 3.014 0.753 ! 2.462 C-0056-0045 

!assign ((resid    34 and name      HA))   ((resid    34 and name     HB*))      2.765 2.765 0.691 ! 3.03 C-0030-0044 

assign ((resid    34 and name      HA))   ((resid    34 and name     HG1) or 
                                           (resid    34 and name     HG2))      2.991 2.991 0.748 ! 2.87844 C-2088-2643 

assign ((resid    34 and name      HA))   ((resid    34 and name      HN))      3.065 0.766 0.766 ! 2.937 A-0433-0511 

!assign ((resid    34 and name     HB*))   ((resid    34 and name      HA))      2.719 2.719 0.680 ! 2.462 C-2221-2836 

!*****assign ((resid    34 and name     HB1))   ((resid    34 and name     HB2))       1.882 0.470 0.470  ! 1.763 C-0028-0024 

!assign ((resid    34 and name     HB*))   ((resid    34 and name     HG1) or 
!                                           (resid    34 and name     HG2))      2.352 2.352 0.588 ! 2.41982 C-2092-2633 

assign ((resid    34 and name     HB*))   ((resid    34 and name      HN))      2.801 2.801 0.700 ! 3.744 A-0430-0515 

!assign ((resid    34 and name     HB*))   ((resid    34 and name      HA))      2.475 2.475 0.619 ! 3.03 C-2220-2835 

!*****assign ((resid    34 and name     HB2))   ((resid    34 and name     HB1))       1.891 0.473 0.473  ! 1.763 C-0058-0025 

!assign ((resid    34 and name     HB*))   ((resid    34 and name     HG1) or 
!                                           (resid    34 and name     HG2))      2.146 2.146 0.536 ! 2.16394 C-2091-2632 

!**assign ((resid    34 and name     HB2))   ((resid    34 and name      HN))       3.353 0.838 0.838  ! 2.61 A-0432-0514 

assign ((resid    34 and name     HG1) or 
        (resid    34 and name     HG2))   ((resid    34 and name      HA))      2.580 2.580 0.645 ! 2.87844 C-2223-2840 

!assign ((resid    34 and name     HG1) or 
!        (resid    34 and name     HG2))   ((resid    34 and name     HB*))      2.182 2.182 0.545 ! 2.41982 C-0060-0042 

!assign ((resid    34 and name     HG1) or 
!        (resid    34 and name     HG2))   ((resid    34 and name     HB*))      2.191 2.191 0.548 ! 2.16394 C-0007-0041 

assign ((resid    34 and name     HG1) or 
        (resid    34 and name     HG2))   ((resid    34 and name      HN))      3.188 3.188 0.797 ! 2.88758 A-0521-0627 

assign ((resid    34 and name      HA))   ((resid    35 and name     HA*))      4.979 4.979 1.245 ! 5.019 C-0806-1005 

assign ((resid    34 and name      HA))   ((resid    35 and name      HN))      3.678 0.919 0.919 ! 3.337 A-0485-0576 

assign ((resid    34 and name     HB*))   ((resid    35 and name      HN))      4.122 4.122 1.030 ! 4.156 A-0480-0578 

assign ((resid    34 and name     HB*))   ((resid    35 and name      HN))      4.345 4.345 1.086 ! 3.364 A-0481-0577 

assign ((resid    34 and name     HB*))   ((resid    36 and name      HB))      4.912 4.912 1.228 ! 4.987 C-0063-0035 

assign ((resid    34 and name     HB*))   ((resid    36 and name      HB))      4.728 4.728 1.182 ! 4.987 C-1487-1926 

assign ((resid    34 and name     HB*))   ((resid    36 and name    HD1#))      3.541 3.541 0.885 ! 3.058 C-0061-0047 

assign ((resid    34 and name     HB*))   ((resid    36 and name    HD1#))      3.248 3.248 0.812 ! 3.058 C-2311-2882 

assign ((resid    34 and name     HB*))   ((resid    36 and name      HN))      3.550 3.550 0.887 ! 3.849 A-0263-0322 

assign ((resid    34 and name     HB*))   ((resid    36 and name    HD1#))      3.371 3.371 0.843 ! 2.741 C-0027-0046 

assign ((resid    34 and name     HB*))   ((resid    36 and name    HD1#))      3.209 3.209 0.802 ! 2.741 C-2310-2881 

assign ((resid    34 and name     HB*))   ((resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12))      3.481 3.481 0.870 ! 3.04536 C-0634-0768 

assign ((resid    34 and name     HB*))   ((resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12) or 
                                           (resid    42 and name     HG1) or 
                                           (resid    42 and name     HG2))      3.847 3.847 0.962 ! 3.04528 D-0011-0027 D-0012-0027 

assign ((resid    34 and name     HB*) or 
        (resid    38 and name     HB1))   ((resid    36 and name      HN))      4.057 4.057 1.014 ! 3.00615 B-0108-0321 B-0107-0321 

assign ((resid    34 and name     HG1) or 
        (resid    34 and name     HG2))   ((resid    36 and name      HB))      4.973 4.973 1.243 ! 5.34883 C-1478-1937 

assign ((resid    34 and name     HG1) or 
        (resid    34 and name     HG2))   ((resid    36 and name    HD1#))      3.387 3.387 0.847 ! 3.39406 C-2095-2644 

assign ((resid    34 and name     HG1) or 
        (resid    34 and name     HG2))   ((resid    36 and name    HD1#))      3.117 3.117 0.779 ! 3.39406 C-2312-2896 

assign ((resid    34 and name     HG1) or 
        (resid    34 and name     HG2))   ((resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12) or 
                                           (resid    42 and name     HG1) or 
                                           (resid    42 and name     HG2))      3.985 3.985 0.996 ! 4.4286 D-0245-0760 D-0246-0760 

assign ((resid    34 and name     HG1) or 
        (resid    34 and name     HG2))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      4.167 4.167 1.042 ! 4.47398 C-0758-0941 

assign ((resid    34 and name     HG1) or 
        (resid    34 and name     HG2))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      4.246 4.246 1.062 ! 4.47398 C-2093-2636 

!*****assign ((resid    35 and name     HA1))   ((resid    35 and name     HA2))       1.731 0.433 0.433  ! 1.764 C-0803-1000 

assign ((resid    35 and name     HA*))   ((resid    35 and name      HN))      2.843 2.843 0.711 ! 2.847 A-0483-0579 

!*****assign ((resid    35 and name     HA2))   ((resid    35 and name     HA1))       1.645 0.411 0.411  ! 1.764 C-0800-0999 

assign ((resid    35 and name     HA*))   ((resid    35 and name      HN))      2.372 2.372 0.593 ! 2.261 A-0484-0580 

assign ((resid    35 and name     HA*))   ((resid    36 and name      HN))      3.911 3.911 0.978 ! 3.36 A-0269-0325 

assign ((resid    35 and name     HA*))   ((resid    36 and name      HN))      3.678 3.678 0.919 ! 3.263 A-0266-0326 

!assign ((resid    36 and name      HA))   ((resid    36 and name      HB))      2.935 0.734 0.734 ! 3.078 C-1483-1936 

assign ((resid    36 and name      HA))   ((resid    36 and name    HD1#))      3.375 3.375 0.844 ! 3.994 C-2314-2894 

assign ((resid    36 and name      HA))   ((resid    36 and name    HG11) or 
                                           (resid    36 and name    HG12) or 
                                           (resid    42 and name     HG1) or 
                                           (resid    42 and name     HG2))      3.090 3.090 0.772 ! 2.5772 D-0243-0759 D-0244-0759 

assign ((resid    36 and name      HA))   ((resid    36 and name    HG2#))      2.364 2.364 0.591 ! 2.515 C-1709-2263 

assign ((resid    36 and name      HA))   ((resid    36 and name      HN))      2.858 0.715 0.715 ! 2.923 A-0262-0330 

!assign ((resid    36 and name      HB))   ((resid    36 and name      HA))      2.892 0.723 0.723 ! 3.078 C-1915-2482 

assign ((resid    36 and name      HB))   ((resid    36 and name    HD1#))      2.426 2.426 0.607 ! 2.306 C-2313-2891 

!assign ((resid    36 and name      HB))   ((resid    36 and name    HG11) or 
!                                           (resid    36 and name    HG12) or 
!                                           (resid    42 and name     HG1) or 
!                                           (resid    42 and name     HG2))      2.517 2.517 0.629 ! 2.47166 D-0249-0756 D-0250-0756 

!assign ((resid    36 and name      HB))   ((resid    36 and name    HG2#))      2.121 2.121 0.530 ! 2.086 C-1720-2261 

assign ((resid    36 and name      HB))   ((resid    36 and name      HN))      2.628 0.657 0.657 ! 2.523 A-0268-0327 

assign ((resid    36 and name    HD1#))   ((resid    36 and name      HA))      3.387 3.387 0.847 ! 3.994 C-1908-2485 

assign ((resid    36 and name    HD1#))   ((resid    36 and name      HB))      2.494 2.494 0.624 ! 2.306 C-1485-1938 

!assign ((resid    36 and name    HD1#))   ((resid    36 and name    HG11) or 
!                                           (resid    36 and name    HG12) or 
!                                           (resid    42 and name     HG1) or 
!                                           (resid    42 and name     HG2))      2.246 2.246 0.561 ! 2.17892 D-0241-0767 D-0242-0767 

!assign ((resid    36 and name    HD1#))   ((resid    36 and name    HG2#))      2.225 2.225 0.556 ! 2.136 C-1710-2267 

assign ((resid    36 and name    HD1#))   ((resid    36 and name      HN))      3.598 3.598 0.899 ! 3.287 A-0267-0320 

assign ((resid    36 and name    HG11) or 
        (resid    36 and name    HG12) or 
        (resid    42 and name     HG1) or 
        (resid    42 and name     HG2))   ((resid    36 and name      HA))      3.151 3.151 0.788 ! 2.5772 D-1009-2479 D-1010-2479 

!assign ((resid    36 and name    HG11) or 
!        (resid    36 and name    HG12) or 
!        (resid    42 and name     HG1) or 
!        (resid    42 and name     HG2))   ((resid    36 and name    HD1#))      2.342 2.342 0.586 ! 2.17892 D-1166-2885 D-1167-2885 

!assign ((resid    36 and name    HG11) or 
!        (resid    36 and name    HG12) or 
!        (resid    42 and name     HG1) or 
!        (resid    42 and name     HG2))   ((resid    36 and name    HG2#))      3.000 3.000 0.750 ! 2.26097 D-0966-2255 D-0967-2255 

assign ((resid    36 and name    HG2#))   ((resid    36 and name      HA))      2.288 2.288 0.572 ! 2.515 C-1909-2483 

!assign ((resid    36 and name    HG2#))   ((resid    36 and name      HB))      2.072 2.072 0.518 ! 2.086 C-1484-1934 

!assign ((resid    36 and name    HG2#))   ((resid    36 and name    HD1#))      2.087 2.087 0.522 ! 2.136 C-2309-2892 

!assign ((resid    36 and name    HG2#))   ((resid    36 and name    HG11) or 
!                                           (resid    36 and name    HG12) or 
!                                           (resid    42 and name     HG1) or 
!                                           (resid    42 and name     HG2))      2.770 2.770 0.693 ! 2.26097 D-0239-0758 D-0240-0758 

assign ((resid    36 and name    HG2#))   ((resid    36 and name      HN))      3.284 3.284 0.821 ! 3.776 A-0265-0329 

assign ((resid    36 and name      HA))   ((resid    37 and name      HA))      4.838 1.210 1.210 ! 4.445 C-1910-2481 

assign ((resid    36 and name      HA))   ((resid    37 and name     HB*) or 
                                           (resid    37 and name     HB*))      4.847 4.847 1.212 ! 4.44743 C-0101-0134 

assign ((resid    36 and name      HA))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      1.944 1.944 0.486 ! 1.75645 C-0221-0314 

assign ((resid    36 and name      HA))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      2.138 2.138 0.534 ! 1.75645 C-0234-0315 

assign ((resid    36 and name      HA))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      1.974 1.974 0.493 ! 1.75645 C-1914-2475 

assign ((resid    36 and name      HA))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      2.236 2.236 0.559 ! 1.75645 C-1913-2476 

assign ((resid    36 and name      HA))   ((resid    37 and name     HG1) or 
                                           (resid    37 and name     HG2))      3.641 3.641 0.910 ! 3.702 C-0455-0566 

assign ((resid    36 and name      HA))   ((resid    37 and name     HG1) or 
                                           (resid    37 and name     HG2))      3.515 3.515 0.879 ! 3.702 C-1912-2478 

assign ((resid    36 and name      HB))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      4.383 4.383 1.096 ! 4.14208 C-0260-0310 

assign ((resid    36 and name      HB))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      4.391 4.391 1.098 ! 4.14208 C-0269-0311 

assign ((resid    36 and name      HB))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      4.953 4.953 1.238 ! 4.14208 C-1488-1927 

assign ((resid    36 and name      HB))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      4.789 4.789 1.197 ! 4.14208 C-1480-1928 

assign ((resid    36 and name    HD1#))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      4.926 4.926 1.232 ! 4.76544 C-0261-0320 

assign ((resid    36 and name    HD1#))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      4.623 4.623 1.156 ! 4.76544 C-0235-0321 

assign ((resid    36 and name    HG11) or 
        (resid    36 and name    HG12) or 
        (resid    42 and name     HG1) or 
        (resid    42 and name     HG2))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      4.855 4.855 1.214 ! 3.66963 D-0077-0305 D-0078-0305 

assign ((resid    36 and name    HG11) or 
        (resid    36 and name    HG12) or 
        (resid    42 and name     HG1) or 
        (resid    42 and name     HG2))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      4.568 4.568 1.142 ! 3.66963 D-0251-0748 D-0252-0748 

assign ((resid    36 and name    HG11) or 
        (resid    36 and name    HG12) or 
        (resid    42 and name     HG1) or 
        (resid    42 and name     HG2))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      4.780 4.780 1.195 ! 3.66963 D-0247-0749 D-0248-0749 

assign ((resid    36 and name    HG2#))   ((resid    37 and name     HB*) or 
                                           (resid    37 and name     HB*))      4.140 4.140 1.035 ! 3.75991 C-0116-0133 

assign ((resid    36 and name    HG2#))   ((resid    37 and name     HB*) or 
                                           (resid    37 and name     HB*) or 
                                           (resid    41 and name     HB*) or 
                                           (resid    41 and name     HB*))      3.871 3.871 0.968 ! 3.43121 D-0963-2249 D-0962-2249 

assign ((resid    36 and name    HG2#))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      2.859 2.859 0.715 ! 2.52058 C-0220-0312 

assign ((resid    36 and name    HG2#))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      2.542 2.542 0.635 ! 2.52058 C-0236-0313 

assign ((resid    36 and name    HG2#))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      3.088 3.088 0.772 ! 2.52058 C-1721-2250 

assign ((resid    36 and name    HG2#))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      2.685 2.685 0.671 ! 2.52058 C-1719-2251 

assign ((resid    36 and name    HG2#))   ((resid    37 and name     HG1) or 
                                           (resid    37 and name     HG2))      3.975 3.975 0.994 ! 4.19301 C-0453-0565 

assign ((resid    36 and name    HG2#))   ((resid    37 and name     HG1) or 
                                           (resid    37 and name     HG2))      4.141 4.141 1.035 ! 4.19301 C-1805-2254 

assign ((resid    36 and name    HG2#))   ((resid    38 and name      HA))      4.233 4.233 1.058 ! 4.274 C-0898-1143 

assign ((resid    36 and name    HG2#))   ((resid    38 and name      HA))      4.643 4.643 1.161 ! 4.274 C-1715-2258 

assign ((resid    36 and name    HG2#))   ((resid    39 and name      HA) or 
                                           (resid    40 and name      HA))      4.522 4.522 1.131 ! 4.77748 D-0970-2265 D-0971-2265 

assign ((resid    36 and name      HA))   ((resid    40 and name     HB2))      4.926 1.232 1.232 ! 4.77 C-1907-2477 

assign ((resid    36 and name    HG2#))   ((resid    40 and name      HA))      4.467 4.467 1.117 ! 4.91 C-2164-2754 

assign ((resid    36 and name    HG2#))   ((resid    40 and name     HB1))      3.090 3.090 0.772 ! 3.451 C-0277-0382 

assign ((resid    36 and name    HG2#))   ((resid    40 and name     HB1))      3.104 3.104 0.776 ! 3.451 C-1712-2252 

assign ((resid    36 and name    HG2#))   ((resid    40 and name     HB2))      2.644 2.644 0.661 ! 2.5 C-0286-0383 

assign ((resid    36 and name    HG2#))   ((resid    40 and name     HB2))      2.701 2.701 0.675 ! 2.5 C-1711-2253 

assign ((resid    36 and name    HG2#))   ((resid    40 and name     HG1) or 
                                           (resid    40 and name     HG2))      3.486 3.486 0.872 ! 4.01847 C-1716-2266 

assign ((resid    36 and name    HG2#))   ((resid    40 and name     HG1) or 
                                           (resid    40 and name     HG2))      3.312 3.312 0.828 ! 4.01847 C-2243-2850 

assign ((resid    36 and name    HG2#))   ((resid    40 and name      HN))      4.071 4.071 1.018 ! 3.864 A-0361-0442 

assign ((resid    36 and name      HB))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      4.275 4.275 1.069 ! 3.24721 C-1479-1939 

assign ((resid    36 and name      HB))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      4.411 4.411 1.103 ! 3.24721 C-2391-3076 

assign ((resid    36 and name      HB))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      4.433 4.433 1.108 ! 3.24721 C-2411-3077 

assign ((resid    36 and name    HD1#))   ((resid    41 and name      HA))      4.838 4.838 1.210 ! 5.228 C-2260-2895 

assign ((resid    36 and name    HD1#))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      4.668 4.668 1.167 ! 3.56964 C-2394-3087 

assign ((resid    36 and name    HD1#))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      3.985 3.985 0.996 ! 3.56964 C-2416-3088 

assign ((resid    36 and name    HG2#))   ((resid    41 and name      HA))      3.601 3.601 0.900 ! 3.758 C-1713-2264 

assign ((resid    36 and name    HG2#))   ((resid    41 and name      HA))      3.496 3.496 0.874 ! 3.758 C-2046-2612 

assign ((resid    36 and name    HG2#))   ((resid    41 and name     HB*) or 
                                           (resid    41 and name     HB*))      4.588 4.588 1.147 ! 3.96119 C-0138-0165 

assign ((resid    36 and name    HG2#))   ((resid    41 and name    HE21))      3.737 3.737 0.934 ! 2.968 A-0050-0051 

assign ((resid    36 and name    HG2#))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      2.676 2.676 0.669 ! 2.12938 C-1717-2268 

assign ((resid    36 and name    HG2#))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      2.823 2.823 0.706 ! 2.12938 C-1718-2269 

assign ((resid    36 and name    HG2#))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      2.593 2.593 0.648 ! 2.12938 C-2395-3079 

assign ((resid    36 and name    HG2#))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      2.739 2.739 0.685 ! 2.12938 C-2412-3080 

assign ((resid    36 and name    HG2#))   ((resid    41 and name      HN))      4.107 4.107 1.027 ! 3.877 A-0345-0421 

assign ((resid    36 and name    HG11) or 
        (resid    36 and name    HG12) or 
        (resid    42 and name     HG1) or 
        (resid    42 and name     HG2))   ((resid    42 and name      HA))      3.140 3.140 0.785 ! 2.69341 D-0225-0766 D-0226-0766 

!assign ((resid    36 and name    HG11) or 
!        (resid    36 and name    HG12) or 
!        (resid    42 and name     HG1) or 
!        (resid    42 and name     HG2))   ((resid    42 and name     HB*))      2.251 2.251 0.563 ! 2.30204 D-0227-0746 D-0228-0746 

!assign ((resid    36 and name    HG11) or 
!        (resid    36 and name    HG12) or 
!        (resid    42 and name     HG1) or 
!        (resid    42 and name     HG2))   ((resid    42 and name     HD1) or 
!                                           (resid    42 and name     HD2))      2.389 2.389 0.597 ! 2.13256 D-0232-0752 D-0231-0752 D-0234-0752 D-0233-0752 

assign ((resid    36 and name    HG2#))   ((resid    67 and name      HA) or 
                                           (resid    71 and name      HA))      4.907 4.907 1.227 ! 4.36133 D-0997-2270 D-0998-2270 

assign ((resid    36 and name    HG2#))   ((resid    67 and name      HA) or 
                                           (resid    71 and name      HA))      4.489 4.489 1.122 ! 4.36133 D-1240-3145 D-1241-3145 

assign ((resid    36 and name      HB))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      4.339 4.339 1.085 ! 3.65509 C-0756-0935 

assign ((resid    36 and name      HB))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      4.600 4.600 1.150 ! 3.65509 C-1481-1931 

assign ((resid    36 and name      HB))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      4.094 4.094 1.024 ! 3.48307 D-0516-1255 D-0517-1255 

assign ((resid    36 and name      HB))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      4.203 4.203 1.051 ! 3.48307 D-0861-1932 D-0862-1932 

assign ((resid    36 and name    HD1#))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.531 2.531 0.633 ! 2.09457 C-0752-0942 

assign ((resid    36 and name    HD1#))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.703 2.703 0.676 ! 2.09457 C-2307-2887 

assign ((resid    36 and name    HD1#))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.430 2.430 0.608 ! 2.02467 D-1164-2889 D-1165-2889 

assign ((resid    36 and name    HG2#))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      3.400 3.400 0.850 ! 2.91857 C-0751-0938 

assign ((resid    36 and name    HG2#))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      3.408 3.408 0.852 ! 2.91857 C-1708-2257 

assign ((resid    36 and name    HG2#))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.225 2.225 0.556 ! 2.16922 D-0508-1258 D-0509-1258 

assign ((resid    36 and name    HG2#))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.559 2.559 0.640 ! 2.16922 D-0964-2259 D-0965-2259 

assign ((resid    36 and name      HA))   ((resid    69 and name     HD*) or 
                                           (resid    71 and name     HD*))      4.967 4.967 1.242 ! 4.499 C-0976-1260 

assign ((resid    36 and name    HD1#))   ((resid    69 and name     HD*) or 
                                           (resid    71 and name     HD*))      3.009 3.009 0.752 ! 2.503 C-0865-1133 

assign ((resid    36 and name    HD1#))   ((resid    69 and name     HD*) or 
                                           (resid    71 and name     HD*))      2.892 2.892 0.723 ! 2.503 C-2308-2888 

assign ((resid    36 and name    HD1#))   ((resid    71 and name      HG))      4.766 4.766 1.192 ! 4.362 C-2261-2884 

assign ((resid    36 and name    HG2#))   ((resid    69 and name     HD*) or 
                                           (resid    71 and name     HD*))      2.776 2.776 0.694 ! 2.144 C-0867-1130 

assign ((resid    36 and name    HG2#))   ((resid    71 and name      HG))      4.680 4.680 1.170 ! 2.825 C-0585-0663 

!assign ((resid    37 and name      HA))   ((resid    37 and name     HB*) or 
!                                           (resid    37 and name     HB*))      2.278 2.278 0.570 ! 2.32233 C-0102-0131 

!assign ((resid    37 and name      HA))   ((resid    37 and name     HB*) or 
!                                           (resid    37 and name     HB*))      2.873 2.873 0.718 ! 2.32233 C-0115-0132 

assign ((resid    37 and name      HA))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      4.013 4.013 1.003 ! 3.4324 C-0219-0308 

assign ((resid    37 and name      HA))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      3.930 3.930 0.983 ! 3.4324 C-0273-0309 

assign ((resid    37 and name      HA))   ((resid    37 and name     HG1) or 
                                           (resid    37 and name     HG2))      3.375 3.375 0.844 ! 2.75088 C-0454-0564 

!assign ((resid    37 and name     HB*) or 
!        (resid    37 and name     HB*))   ((resid    37 and name      HA))      2.358 2.358 0.590 ! 2.32233 C-1432-1870 

!assign ((resid    37 and name     HB*) or 
!        (resid    37 and name     HB*))   ((resid    37 and name      HA))      2.886 2.886 0.722 ! 2.32233 C-1431-1871 

!*****assign ((resid    37 and name     HB1) or 
!*****        (resid    37 and name     HB2))   ((resid    37 and name     HB2) or 
!*****                                           (resid    37 and name     HB1))        1.506 1.506 0.377  ! 1.764 C-0100-0122 

!*****assign ((resid    37 and name     HB1) or 
!*****        (resid    37 and name     HB2))   ((resid    37 and name     HB2) or 
!*****                                           (resid    37 and name     HB1))        1.709 1.709 0.427  ! 1.764 C-0113-0123 

assign ((resid    37 and name     HB*) or 
        (resid    37 and name     HB*))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      3.816 3.816 0.954 ! 2.54195 C-0262-0293 

assign ((resid    37 and name     HB*) or 
        (resid    37 and name     HB*))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      3.462 3.462 0.866 ! 2.54195 C-0263-0294 

assign ((resid    37 and name     HB*) or 
        (resid    37 and name     HB*))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      3.930 3.930 0.983 ! 2.54195 C-0232-0295 

assign ((resid    37 and name     HB*) or 
        (resid    37 and name     HB*))   ((resid    37 and name     HD1) or 
                                           (resid    37 and name     HD2))      3.190 3.190 0.797 ! 2.54195 C-0237-0296 

assign ((resid    37 and name     HD1) or 
        (resid    37 and name     HD2))   ((resid    37 and name      HA))      4.333 4.333 1.083 ! 3.4324 C-1439-1873 

assign ((resid    37 and name     HD1) or 
        (resid    37 and name     HD2))   ((resid    37 and name      HA))      3.922 3.922 0.981 ! 3.4324 C-1436-1874 

assign ((resid    37 and name     HD1) or 
        (resid    37 and name     HD2))   ((resid    37 and name     HB*) or 
                                           (resid    37 and name     HB*))      3.647 3.647 0.912 ! 2.54195 C-0103-0126 

assign ((resid    37 and name     HD1) or 
        (resid    37 and name     HD2))   ((resid    37 and name     HB*) or 
                                           (resid    37 and name     HB*))      3.612 3.612 0.903 ! 2.54195 C-0105-0127 

assign ((resid    37 and name     HD1) or 
        (resid    37 and name     HD2))   ((resid    37 and name     HB*) or 
                                           (resid    37 and name     HB*))      3.562 3.562 0.890 ! 2.54195 C-0117-0128 

assign ((resid    37 and name     HD1) or 
        (resid    37 and name     HD2))   ((resid    37 and name     HB*) or 
                                           (resid    37 and name     HB*))      3.232 3.232 0.808 ! 2.54195 C-0119-0129 

!*****assign ((resid    37 and name     HD1) or 
!*****        (resid    37 and name     HD2))   ((resid    37 and name     HD2) or 
!*****                                           (resid    37 and name     HD1))        1.695 1.695 0.424  ! 1.763 C-0218-0298 

!*****assign ((resid    37 and name     HD1) or 
!*****        (resid    37 and name     HD2))   ((resid    37 and name     HD2) or 
!*****                                           (resid    37 and name     HD1))        1.677 1.677 0.419  ! 1.763 C-0231-0299 

!assign ((resid    37 and name     HD1) or 
!        (resid    37 and name     HD2))   ((resid    37 and name     HG1) or 
!                                           (resid    37 and name     HG2))      2.593 2.593 0.648 ! 2.03172 C-0457-0559 

!assign ((resid    37 and name     HD1) or 
!        (resid    37 and name     HD2))   ((resid    37 and name     HG1) or 
!                                           (resid    37 and name     HG2))      2.651 2.651 0.663 ! 2.03172 C-0456-0560 

!assign ((resid    37 and name     HD1) or 
!        (resid    37 and name     HD2))   ((resid    37 and name     HG1) or 
!                                           (resid    37 and name     HG2))      2.652 2.652 0.663 ! 2.03172 C-0463-0561 

!assign ((resid    37 and name     HD1) or 
!        (resid    37 and name     HD2))   ((resid    37 and name     HG1) or 
!                                           (resid    37 and name     HG2))      2.742 2.742 0.685 ! 2.03172 C-0462-0562 

!assign ((resid    37 and name     HG1) or 
!        (resid    37 and name     HG2))   ((resid    37 and name     HD1) or 
!                                           (resid    37 and name     HD2))      2.348 2.348 0.587 ! 2.03172 C-0264-0303 

!assign ((resid    37 and name     HG1) or 
!        (resid    37 and name     HG2))   ((resid    37 and name     HD1) or 
!                                           (resid    37 and name     HD2))      2.367 2.367 0.592 ! 2.03172 C-0272-0304 

assign ((resid    37 and name      HA))   ((resid    38 and name      HA))      4.860 1.215 1.215 ! 4.475 C-1433-1878 

assign ((resid    37 and name      HA))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      1.838 1.838 0.460 ! 1.90026 C-0228-0290 

assign ((resid    37 and name      HA))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      1.821 1.821 0.455 ! 1.90026 C-1437-1872 

assign ((resid    37 and name      HA))   ((resid    38 and name     HG1) or 
                                           (resid    38 and name     HG2))      3.794 3.794 0.949 ! 3.81579 C-0561-0686 

assign ((resid    37 and name      HA))   ((resid    38 and name     HG1) or 
                                           (resid    38 and name     HG2))      3.847 3.847 0.962 ! 3.81579 C-0593-0687 

assign ((resid    37 and name      HA))   ((resid    38 and name     HG1) or 
                                           (resid    38 and name     HG2))      4.033 4.033 1.008 ! 3.81579 C-1435-1877 

assign ((resid    37 and name     HB*) or 
        (resid    37 and name     HB*))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      2.784 2.784 0.696 ! 3.14725 C-0104-0124 

assign ((resid    37 and name     HB*) or 
        (resid    37 and name     HB*))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      3.222 3.222 0.805 ! 3.14725 C-0120-0125 

assign ((resid    37 and name     HB*) or 
        (resid    37 and name     HB*))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      2.921 2.921 0.730 ! 3.14725 C-0230-0284 

assign ((resid    37 and name     HB*) or 
        (resid    37 and name     HB*))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      3.273 3.273 0.818 ! 3.14725 C-0266-0285 

assign ((resid    37 and name     HD1) or 
        (resid    37 and name     HD2))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      4.488 4.488 1.122 ! 4.72232 C-0259-0297 

assign ((resid    37 and name     HB*) or 
        (resid    37 and name     HB*))   ((resid    39 and name      HN))      4.064 4.064 1.016 ! 3.06661 A-0438-0525 

assign ((resid    37 and name     HB*) or 
        (resid    37 and name     HB*) or 
        (resid    41 and name     HB*) or 
        (resid    41 and name     HB*))   ((resid    39 and name      HN))      3.380 3.380 0.845 ! 3.05026 B-0165-0526 B-0164-0526 

assign ((resid    37 and name     HB*) or 
        (resid    37 and name     HB*))   ((resid    40 and name     HB1))      3.896 3.896 0.974 ! 4.49555 C-0356-0370 

assign ((resid    37 and name     HB*) or 
        (resid    37 and name     HB*))   ((resid    40 and name     HG1) or 
                                           (resid    40 and name     HG2))      3.355 3.355 0.839 ! 2.20331 C-0118-0136 

assign ((resid    37 and name     HB*) or 
        (resid    37 and name     HB*))   ((resid    40 and name     HG1) or 
                                           (resid    40 and name     HG2))      3.462 3.462 0.866 ! 2.20331 C-2240-2842 

assign ((resid    37 and name     HB*) or 
        (resid    37 and name     HB*) or 
        (resid    41 and name     HB*) or 
        (resid    41 and name     HB*))   ((resid    40 and name      HN))      3.432 3.432 0.858 ! 2.79948 B-0145-0438 B-0144-0438 

assign ((resid    37 and name     HD1) or 
        (resid    37 and name     HD2))   ((resid    40 and name     HB1))      3.975 3.975 0.994 ! 4.1973 C-0271-0301 

assign ((resid    37 and name     HD1) or 
        (resid    37 and name     HD2))   ((resid    40 and name     HB1))      4.249 4.249 1.062 ! 4.1973 C-0279-0371 

assign ((resid    37 and name     HD1) or 
        (resid    37 and name     HD2))   ((resid    40 and name     HB2))      4.274 4.274 1.069 ! 3.0548 C-0223-0300 

assign ((resid    37 and name     HD1) or 
        (resid    37 and name     HD2))   ((resid    40 and name     HB2))      3.430 3.430 0.858 ! 3.0548 C-0233-0302 

assign ((resid    37 and name     HD1) or 
        (resid    37 and name     HD2))   ((resid    40 and name     HB2))      4.964 4.964 1.241 ! 3.0548 C-0358-0372 

assign ((resid    37 and name     HD1) or 
        (resid    37 and name     HD2))   ((resid    40 and name     HB2))      3.510 3.510 0.877 ! 3.0548 C-0289-0373 

assign ((resid    37 and name     HD1) or 
        (resid    37 and name     HD2))   ((resid    40 and name     HG1) or 
                                           (resid    40 and name     HG2))      4.619 4.619 1.155 ! 3.41072 C-0222-0318 

assign ((resid    37 and name     HD1) or 
        (resid    37 and name     HD2))   ((resid    40 and name     HG1) or 
                                           (resid    40 and name     HG2))      3.641 3.641 0.910 ! 3.41072 C-0270-0319 

assign ((resid    37 and name     HD1) or 
        (resid    37 and name     HD2))   ((resid    40 and name     HG1) or 
                                           (resid    40 and name     HG2))      3.704 3.704 0.926 ! 3.41072 C-2238-2843 

assign ((resid    37 and name     HG1) or 
        (resid    37 and name     HG2))   ((resid    40 and name     HB1))      4.212 4.212 1.053 ! 5.41109 C-0275-0376 

assign ((resid    37 and name     HG1) or 
        (resid    37 and name     HG2))   ((resid    40 and name     HB2))      4.937 4.937 1.234 ! 4.43447 C-0288-0377 

assign ((resid    37 and name     HG1) or 
        (resid    37 and name     HG2))   ((resid    40 and name     HB2))      4.395 4.395 1.099 ! 4.43447 C-0452-0563 

assign ((resid    37 and name     HB*) or 
        (resid    37 and name     HB*) or 
        (resid    41 and name     HB*) or 
        (resid    41 and name     HB*))   ((resid    41 and name      HN))      2.657 2.657 0.664 ! 2.49738 B-0139-0418 B-0138-0418 

assign ((resid    37 and name     HB*) or 
        (resid    37 and name     HB*) or 
        (resid    41 and name     HB*) or 
        (resid    41 and name     HB*))   ((resid    42 and name      HN))      3.845 3.845 0.961 ! 3.10976 B-0066-0168 B-0065-0168 

!assign ((resid    38 and name      HA))   ((resid    38 and name     HB1))      2.494 0.624 0.624 ! 2.351 C-0010-0016 

!assign ((resid    38 and name      HA))   ((resid    38 and name     HB2))      2.718 0.679 0.679 ! 3.014 C-0018-0017 

assign ((resid    38 and name      HA))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      3.515 3.515 0.879 ! 3.4371 C-0226-0289 

assign ((resid    38 and name      HA))   ((resid    38 and name     HG1) or 
                                           (resid    38 and name     HG2))      3.359 3.359 0.840 ! 2.78459 C-0558-0684 

assign ((resid    38 and name      HA))   ((resid    38 and name     HG1) or 
                                           (resid    38 and name     HG2))      2.939 2.939 0.735 ! 2.78459 C-0591-0685 

!assign ((resid    38 and name     HB1))   ((resid    38 and name      HA))      2.359 0.590 0.590 ! 2.351 C-0896-1135 

!assign ((resid    38 and name     HB1))   ((resid    38 and name     HB2))      1.632 0.408 0.408 ! 1.764 C-0017-0008 

assign ((resid    38 and name     HB1))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      3.347 3.347 0.837 ! 3.52301 C-0265-0282 

!assign ((resid    38 and name     HB1))   ((resid    38 and name     HG1) or 
!                                           (resid    38 and name     HG2))      2.456 2.456 0.614 ! 2.24404 C-0563-0675 

!assign ((resid    38 and name     HB1) or 
!        (resid    54 and name     HB2))   ((resid    38 and name     HG1) or 
!                                           (resid    38 and name     HG2) or 
!                                           (resid    54 and name     HG1) or 
!                                           (resid    54 and name     HG2))      2.445 2.445 0.611 ! 1.98173 D-0138-0677 D-0136-0677 D-0137-0677 D-0135-0677 

!assign ((resid    38 and name     HB2))   ((resid    38 and name      HA))      2.771 0.693 0.693 ! 3.014 C-0892-1136 

!assign ((resid    38 and name     HB2) or 
!        (resid    54 and name     HB1))   ((resid    38 and name     HB1))      1.583 1.583 0.396 ! 1.764 D-0005-0007 D-0006-0007 

assign ((resid    38 and name     HB2))   ((resid    38 and name     HD1) or 
                                           (resid    38 and name     HD2))      2.978 2.978 0.745 ! 2.61574 C-0227-0283 

!assign ((resid    38 and name     HB2))   ((resid    38 and name     HG1) or 
!                                           (resid    38 and name     HG2))      2.427 2.427 0.607 ! 2.33704 C-0562-0676 

!assign ((resid    38 and name     HB2) or 
!        (resid    54 and name     HB1))   ((resid    38 and name     HG1) or 
!                                           (resid    38 and name     HG2) or 
!                                           (resid    54 and name     HG1) or 
!                                           (resid    54 and name     HG2))      2.403 2.403 0.601 ! 2.11728 D-0141-0678 D-0140-0678 D-0139-0678 

assign ((resid    38 and name     HD1) or 
        (resid    38 and name     HD2))   ((resid    38 and name      HA))      3.347 3.347 0.837 ! 3.4371 C-0900-1137 

assign ((resid    38 and name     HD1) or 
        (resid    38 and name     HD2))   ((resid    38 and name     HB1))      3.343 3.343 0.836 ! 3.52301 C-0011-0010 

assign ((resid    38 and name     HD1) or 
        (resid    38 and name     HD2))   ((resid    38 and name     HB2))      3.093 3.093 0.773 ! 2.61574 C-0020-0011 

!assign ((resid    38 and name     HD1) or 
!        (resid    38 and name     HD2))   ((resid    38 and name     HG1) or 
!                                           (resid    38 and name     HG2))      2.200 2.200 0.550 ! 2.05351 C-0564-0679 

!assign ((resid    38 and name     HD1) or 
!        (resid    38 and name     HD2))   ((resid    38 and name     HG1) or 
!                                           (resid    38 and name     HG2))      2.334 2.334 0.584 ! 2.05351 C-0595-0680 

assign ((resid    38 and name     HG1) or 
        (resid    38 and name     HG2))   ((resid    38 and name      HA))      3.383 3.383 0.846 ! 2.78459 C-0893-1138 

assign ((resid    38 and name     HG1) or 
        (resid    38 and name     HG2))   ((resid    38 and name      HA))      2.933 2.933 0.733 ! 2.78459 C-0897-1139 

!assign ((resid    38 and name     HG1) or 
!        (resid    38 and name     HG2))   ((resid    38 and name     HB1))      2.594 2.594 0.648 ! 2.24404 C-0008-0012 

!assign ((resid    38 and name     HG1) or 
!        (resid    38 and name     HG2) or 
!        (resid    54 and name     HG1) or 
!        (resid    54 and name     HG2))   ((resid    38 and name     HB1) or 
!                                           (resid    54 and name     HB2))      2.558 2.558 0.639 ! 1.98173 D-0004-0013 D-0002-0013 D-0003-0013 D-0001-0013 

!assign ((resid    38 and name     HG1) or 
!        (resid    38 and name     HG2))   ((resid    38 and name     HB2))      2.462 2.462 0.616 ! 2.33704 C-0019-0014 

!assign ((resid    38 and name     HG1) or 
!        (resid    38 and name     HG2) or 
!        (resid    54 and name     HG1) or 
!        (resid    54 and name     HG2))   ((resid    38 and name     HB2) or 
!                                           (resid    54 and name     HB1))      2.707 2.707 0.677 ! 2.11728 D-0007-0015 D-0008-0015 D-0015-0015 

!assign ((resid    38 and name     HG1) or 
!        (resid    38 and name     HG2))   ((resid    38 and name     HD1) or 
!                                           (resid    38 and name     HD2))      2.225 2.225 0.556 ! 2.05351 C-0229-0287 

!assign ((resid    38 and name     HG1) or 
!        (resid    38 and name     HG2))   ((resid    38 and name     HD1) or 
!                                           (resid    38 and name     HD2))      2.426 2.426 0.607 ! 2.05351 C-0225-0288 

!*****assign ((resid    38 and name     HG1) or 
!*****        (resid    38 and name     HG2))   ((resid    38 and name     HG2) or 
!*****                                           (resid    38 and name     HG1))        1.779 1.779 0.445  ! 1.764 C-0560-0682 

!*****assign ((resid    38 and name     HG1) or 
!*****        (resid    38 and name     HG2))   ((resid    38 and name     HG2) or 
!*****                                           (resid    38 and name     HG1))        1.739 1.739 0.435  ! 1.764 C-0592-0683 

assign ((resid    38 and name      HA))   ((resid    39 and name      HA))      4.990 1.248 1.248 ! 4.653 C-2082-2760 

assign ((resid    38 and name      HA))   ((resid    39 and name      HA) or 
                                           (resid    40 and name      HA))      4.588 4.588 1.147 ! 4.537 D-0471-1145 D-0472-1145 

assign ((resid    38 and name      HA))   ((resid    39 and name      HN))      4.003 1.001 1.001 ! 3.478 A-0436-0529 

assign ((resid    38 and name     HB1))   ((resid    39 and name      HA))      4.750 1.188 1.188 ! 5.078 C-0014-0022 

assign ((resid    38 and name     HB1))   ((resid    39 and name      HA))      4.835 1.209 1.209 ! 5.078 C-2083-2758 

assign ((resid    38 and name     HB1))   ((resid    39 and name      HN))      3.750 0.938 0.938 ! 4.168 A-0439-0523 

assign ((resid    38 and name     HB2))   ((resid    39 and name      HA))      4.891 1.223 1.223 ! 4.227 C-2168-2759 

assign ((resid    38 and name     HB2))   ((resid    39 and name      HA) or 
                                           (resid    40 and name      HA))      4.577 4.577 1.144 ! 4.20708 D-0010-0021 D-0009-0021 

assign ((resid    38 and name     HB2))   ((resid    39 and name     HB*))      4.993 4.993 1.248 ! 4.465 C-0021-0018 

assign ((resid    38 and name     HB2))   ((resid    39 and name      HN))      2.855 0.714 0.714 ! 2.962 A-0440-0524 

assign ((resid    38 and name     HD1) or 
        (resid    38 and name     HD2))   ((resid    39 and name      HN))      3.134 3.134 0.783 ! 2.81043 A-0441-0527 

assign ((resid    38 and name     HG1) or 
        (resid    38 and name     HG2))   ((resid    39 and name      HN))      3.861 3.861 0.965 ! 4.14664 A-0437-0528 

assign ((resid    38 and name      HA))   ((resid    40 and name      HN))      4.192 1.048 1.048 ! 3.719 A-0362-0441 

assign ((resid    38 and name      HA))   ((resid    41 and name     HB*) or 
                                           (resid    41 and name     HB*))      3.966 3.966 0.992 ! 3.03339 C-0134-0162 

assign ((resid    38 and name      HA))   ((resid    41 and name    HE21))      3.730 0.932 0.932 ! 2.638 A-0051-0050 

assign ((resid    38 and name      HA))   ((resid    41 and name    HE22))      3.922 0.981 0.981 ! 3.384 A-0044-0049 

assign ((resid    38 and name      HA))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      3.047 3.047 0.762 ! 2.47253 C-0899-1147 

assign ((resid    38 and name      HA))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      3.801 3.801 0.950 ! 2.47253 C-0902-1148 

assign ((resid    38 and name      HA))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      3.232 3.232 0.808 ! 2.47253 C-2393-3069 

assign ((resid    38 and name      HA))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      3.985 3.985 0.996 ! 2.47253 C-2417-3070 

assign ((resid    38 and name      HA))   ((resid    41 and name      HN))      3.917 0.979 0.979 ! 3.337 A-0344-0419 

assign ((resid    38 and name     HG1) or 
        (resid    38 and name     HG2) or 
        (resid    54 and name     HG1) or 
        (resid    54 and name     HG2))   ((resid    51 and name     HB1))      4.153 4.153 1.038 ! 2.44899 D-0044-0171 D-0043-0171 

assign ((resid    38 and name     HG1) or 
        (resid    38 and name     HG2) or 
        (resid    54 and name     HG1) or 
        (resid    54 and name     HG2))   ((resid    51 and name     HB2))      3.612 3.612 0.903 ! 3.89033 D-0046-0172 D-0045-0172 

assign ((resid    38 and name     HG1) or 
        (resid    38 and name     HG2) or 
        (resid    54 and name     HG1) or 
        (resid    54 and name     HG2))   ((resid    51 and name     HG1) or 
                                           (resid    51 and name     HG2))      4.843 4.843 1.211 ! 2.76736 D-0145-0688 D-0144-0688 

!assign ((resid    38 and name     HG1) or 
!        (resid    38 and name     HG2) or 
!        (resid    71 and name      HG))   ((resid    69 and name     HD*) or 
!                                           (resid    71 and name     HD*))      2.684 2.684 0.671 ! 2.1268 D-0395-1126 D-0396-1126 

!assign ((resid    39 and name      HA) or 
!        (resid    40 and name      HA))   ((resid    39 and name     HB*))      2.321 2.321 0.580 ! 2.91707 D-0899-2105 D-0900-2105 

!assign ((resid    39 and name      HA) or 
!        (resid    40 and name      HA))   ((resid    39 and name     HB*))      2.296 2.296 0.574 ! 2.26345 D-0897-2104 D-0898-2104 

assign ((resid    39 and name      HA) or 
        (resid    40 and name      HA))   ((resid    39 and name      HN))      2.644 2.644 0.661 ! 2.89734 B-0166-0521 B-0167-0521 

!*****assign ((resid    39 and name     HB1))   ((resid    39 and name     HB2))       1.386 0.346 0.346  ! 1.764 C-1631-2103 

assign ((resid    39 and name     HB*) or 
        (resid    39 and name     HB*))   ((resid    39 and name      HN))      2.667 2.667 0.667 ! 2.06008 B-0207-0530 B-0208-0530 

!assign ((resid    39 and name      HA) or 
!        (resid    40 and name      HA))   ((resid    40 and name     HB1))      2.624 2.624 0.656 ! 2.49163 D-0081-0384 D-0082-0384 

!assign ((resid    39 and name      HA) or 
!        (resid    40 and name      HA))   ((resid    40 and name     HB2))      2.971 2.971 0.743 ! 3.03489 D-0085-0385 D-0086-0385 

assign ((resid    39 and name      HA) or 
        (resid    40 and name      HA))   ((resid    40 and name     HG1) or 
                                           (resid    40 and name     HG2))      2.225 2.225 0.556 ! 2.34272 D-1124-2851 D-1125-2851 

assign ((resid    39 and name      HA) or 
        (resid    40 and name      HA))   ((resid    40 and name      HN))      2.789 2.789 0.697 ! 2.77019 B-0146-0436 B-0147-0436 

assign ((resid    39 and name      HA) or 
        (resid    40 and name      HA))   ((resid    41 and name      HN))      3.134 3.134 0.783 ! 3.16636 B-0141-0415 B-0140-0415 

assign ((resid    39 and name      HA) or 
        (resid    40 and name      HA))   ((resid    71 and name      HA))      4.697 4.697 1.174 ! 4.61036 D-1220-3148 D-1221-3148 

assign ((resid    39 and name      HA) or 
        (resid    40 and name      HA))   ((resid    72 and name     HB*))      3.430 3.430 0.858 ! 3.50776 D-0056-0186 D-0055-0186 

assign ((resid    39 and name      HA) or 
        (resid    40 and name      HA))   ((resid    72 and name     HD1) or 
                                           (resid    72 and name     HD2))      3.290 3.290 0.823 ! 3.66672 D-0637-1432 D-0638-1432 

assign ((resid    39 and name      HA) or 
        (resid    40 and name      HA))   ((resid    72 and name      HN))      3.745 3.745 0.936 ! 3.10745 B-0038-0097 B-0039-0097 

!assign ((resid    40 and name     HB1))   ((resid    40 and name      HA))      2.470 0.618 0.618 ! 2.493 C-2165-2750 

!*****assign ((resid    40 and name     HB1))   ((resid    40 and name     HB2))       1.796 0.449 0.449  ! 1.763 C-0287-0375 

!assign ((resid    40 and name     HB1))   ((resid    40 and name     HG1) or 
!                                           (resid    40 and name     HG2))      1.732 1.732 0.433 ! 2.3744 C-2241-2844 

assign ((resid    40 and name     HB1))   ((resid    40 and name      HN))      3.519 0.880 0.880 ! 3.695 A-0365-0439 

!assign ((resid    40 and name     HB2))   ((resid    40 and name      HA))      3.002 0.750 0.750 ! 3.046 C-2166-2751 

!*****assign ((resid    40 and name     HB2))   ((resid    40 and name     HB1))       1.891 0.473 0.473  ! 1.763 C-0276-0374 

!assign ((resid    40 and name     HB2))   ((resid    40 and name     HG1) or 
!                                           (resid    40 and name     HG2))      2.168 2.168 0.542 ! 2.36623 C-2242-2845 

assign ((resid    40 and name     HB2))   ((resid    40 and name      HN))      2.730 0.682 0.682 ! 2.521 A-0364-0440 

assign ((resid    40 and name     HG1) or 
        (resid    40 and name     HG2))   ((resid    40 and name      HA))      2.172 2.172 0.543 ! 2.34807 C-2167-2757 

!assign ((resid    40 and name     HG1) or 
!        (resid    40 and name     HG2))   ((resid    40 and name     HB1))      1.836 1.836 0.459 ! 2.3744 C-0278-0386 

!assign ((resid    40 and name     HG1) or 
!        (resid    40 and name     HG2))   ((resid    40 and name     HB2))      2.090 2.090 0.522 ! 2.36623 C-0290-0387 

assign ((resid    40 and name     HG1) or 
        (resid    40 and name     HG2))   ((resid    40 and name    HE21))      3.109 3.109 0.777 ! 3.2383 A-0461-0555 

assign ((resid    40 and name     HG1) or 
        (resid    40 and name     HG2))   ((resid    40 and name    HE22))      3.404 3.404 0.851 ! 3.12457 A-0462-0556 

assign ((resid    40 and name     HG1) or 
        (resid    40 and name     HG2))   ((resid    40 and name      HN))      2.845 2.845 0.711 ! 2.44265 A-0363-0437 

assign ((resid    40 and name     HB1))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      3.863 3.863 0.966 ! 3.79516 D-0083-0380 D-0084-0380 

assign ((resid    40 and name     HB1))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      3.618 3.618 0.904 ! 3.79516 D-0506-1247 D-0507-1247 

assign ((resid    40 and name     HB2))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      3.994 3.994 0.999 ! 4.02061 D-0087-0381 D-0088-0381 

assign ((resid    40 and name     HB2))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      3.922 3.922 0.981 ! 4.02061 D-0500-1248 D-0501-1248 

!*******assign ((resid    40 and name     HG1) or 
!*******        (resid    40 and name     HG2))   ((resid    69 and name    HD1#) or 
!*******                                           (resid    69 and name    HD2#) or
!*******                                           (resid    71 and name    HD*))        3.855 3.855 0.964  ! 6.22272 C-2239-2848 

assign ((resid    40 and name     HB1))   ((resid    69 and name     HD*) or 
                                           (resid    71 and name     HD*))      4.235 4.235 1.059 ! 3.459 C-0357-0378 

assign ((resid    40 and name     HB1))   ((resid    69 and name     HD*) or 
                                           (resid    71 and name     HD*))      4.004 4.004 1.001 ! 3.459 C-0866-1124 

assign ((resid    40 and name     HB2))   ((resid    69 and name     HD*) or 
                                           (resid    71 and name     HD*))      4.757 4.757 1.189 ! 3.638 C-0285-0379 

assign ((resid    40 and name     HB2))   ((resid    69 and name     HD*) or 
                                           (resid    71 and name     HD*))      4.581 4.581 1.145 ! 3.638 C-0864-1125 

assign ((resid    40 and name     HG1) or 
        (resid    40 and name     HG2))   ((resid    69 and name     HD*) or 
                                           (resid    71 and name     HD*))      4.459 4.459 1.115 ! 5.00488 C-0869-1132 

assign ((resid    40 and name     HG1) or 
        (resid    40 and name     HG2))   ((resid    69 and name     HD*) or 
                                           (resid    71 and name     HD*) or 
                                           (resid    73 and name     HD*))      4.170 4.170 1.042 ! 2.71082 D-1126-2847 D-1127-2847 

assign ((resid    40 and name     HB1))   ((resid    72 and name      HN))      3.984 0.996 0.996 ! 3.017 A-0090-0102 

assign ((resid    40 and name     HG1) or 
        (resid    40 and name     HG2))   ((resid    72 and name     HD1) or 
                                           (resid    72 and name     HD2))      4.768 4.768 1.192 ! 4.87242 C-1083-1434 

assign ((resid    40 and name     HG1) or 
        (resid    40 and name     HG2))   ((resid    72 and name     HD1) or 
                                           (resid    72 and name     HD2))      4.931 4.931 1.233 ! 4.87242 C-2237-2849 

assign ((resid    40 and name     HG1) or 
        (resid    40 and name     HG2))   ((resid    73 and name      HA))      3.913 3.913 0.978 ! 2.88195 C-2277-2933 

assign ((resid    40 and name     HG1) or 
        (resid    40 and name     HG2))   ((resid    73 and name      HG) or 
                                           (resid    74 and name     HG1) or 
                                           (resid    74 and name     HG2))      4.575 4.575 1.144 ! 4.12874 D-1129-2846 D-1128-2846 

!assign ((resid    41 and name      HA))   ((resid    41 and name     HB*) or 
!                                           (resid    41 and name     HB*))      2.890 2.890 0.723 ! 2.33635 C-0137-0167 

assign ((resid    41 and name      HA))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      3.148 3.148 0.787 ! 2.56166 C-2396-3084 

assign ((resid    41 and name      HA))   ((resid    41 and name     HG1) or 
                                           (resid    41 and name     HG2))      2.923 2.923 0.731 ! 2.56166 C-2414-3085 

assign ((resid    41 and name      HA))   ((resid    41 and name      HN))      3.093 0.773 0.773 ! 2.897 A-0346-0422 

!assign ((resid    41 and name     HB*) or 
!        (resid    41 and name     HB*))   ((resid    41 and name      HA))      2.553 2.553 0.638 ! 2.33635 C-2045-2605 

!assign ((resid    41 and name     HB*) or 
!        (resid    41 and name     HB*))   ((resid    41 and name     HG1) or 
!                                           (resid    41 and name     HG2))      2.900 2.900 0.725 ! 2.11082 C-2397-3061 

!assign ((resid    41 and name     HB*) or 
!        (resid    41 and name     HB*))   ((resid    41 and name     HG1) or 
!                                           (resid    41 and name     HG2))      2.838 2.838 0.710 ! 2.11082 C-2413-3062 

assign ((resid    41 and name     HG1) or 
        (resid    41 and name     HG2))   ((resid    41 and name      HA))      3.140 3.140 0.785 ! 2.56166 C-2050-2613 

assign ((resid    41 and name     HG1) or 
        (resid    41 and name     HG2))   ((resid    41 and name      HA))      2.870 2.870 0.718 ! 2.56166 C-2049-2614 

!**assign ((resid    41 and name     HG1) or 
!**        (resid    41 and name     HG2))   ((resid    41 and name     HB1) or 
!**                                           (resid    41 and name     HB2))        3.083 3.083 0.771  ! 2.11082 C-0143-0169 

assign ((resid    41 and name     HG1) or 
        (resid    41 and name     HG2))   ((resid    41 and name    HE21))      3.343 3.343 0.836 ! 2.28552 A-0049-0047 

assign ((resid    41 and name     HG1) or 
        (resid    41 and name     HG2))   ((resid    41 and name    HE21))      3.975 3.975 0.994 ! 2.28552 A-0047-0048 

assign ((resid    41 and name     HG1) or 
        (resid    41 and name     HG2))   ((resid    41 and name    HE22))      3.779 3.779 0.945 ! 3.26246 A-0046-0046 

!*****assign ((resid    41 and name     HG1) or 
!*****        (resid    41 and name     HG2))   ((resid    41 and name     HG2) or 
!*****                                           (resid    41 and name     HG1))        2.055 2.055 0.514  ! 1.763 C-2392-3090 

!*****assign ((resid    41 and name     HG1) or 
!*****        (resid    41 and name     HG2))   ((resid    41 and name     HG2) or 
!*****                                           (resid    41 and name     HG1))        2.090 2.090 0.522  ! 1.763 C-2410-3091 

assign ((resid    41 and name     HG1) or 
        (resid    41 and name     HG2))   ((resid    41 and name      HN))      2.975 2.975 0.744 ! 2.27948 A-0347-0416 

!**assign ((resid    41 and name     HG1) or 
!**        (resid    41 and name     HG2))   ((resid    41 and name      HN))        3.696 3.696 0.924  ! 2.27948 A-0348-0417 

assign ((resid    41 and name      HA))   ((resid    42 and name     HG1) or 
                                           (resid    42 and name     HG2) or 
                                           (resid    43 and name      HG))      4.406 4.406 1.101 ! 4.70431 D-1039-2607 D-1040-2607 

assign ((resid    41 and name      HA))   ((resid    42 and name      HN))      2.162 0.540 0.540 ! 2.009 A-0137-0172 

assign ((resid    41 and name     HB*) or 
        (resid    41 and name     HB*))   ((resid    43 and name     HD*))      4.503 4.503 1.126 ! 3.84568 C-0660-0843 

!assign ((resid    41 and name     HB*) or 
!        (resid    41 and name     HB*) or 
!        (resid    62 and name     HB2))   ((resid    51 and name     HB1) or 
!                                           (resid    62 and name     HB1))      1.738 1.738 0.434 ! 1.76299 D-0049-0157 D-0050-0157 

assign ((resid    41 and name      HA))   ((resid    67 and name      HA) or 
                                           (resid    71 and name      HA))      3.002 3.002 0.750 ! 3.11682 D-1043-2615 D-1044-2615 

assign ((resid    41 and name      HA))   ((resid    67 and name      HA) or 
                                           (resid    71 and name      HA))      3.018 3.018 0.754 ! 3.11682 D-1224-3147 D-1225-3147 

assign ((resid    41 and name      HA))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      4.122 4.122 1.030 ! 2.22134 C-0749-0940 

!*****assign ((resid    41 and name      HA))   ((resid    69 and name    HD1#) or 
!*****                                           (resid    69 and name    HD2#) or
!*****                                           (resid    71 and name    HD*))        3.896 3.896 0.974  ! 2.22134 C-2044-2608 

assign ((resid    41 and name      HA))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.274 2.274 0.569 ! 2.21838 D-0520-1261 D-0521-1261 

assign ((resid    41 and name      HA))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.241 2.241 0.560 ! 2.21838 D-1041-2610 D-1042-2610 

assign ((resid    41 and name      HA))   ((resid    69 and name      HG))      4.606 1.151 1.151 ! 4.19 C-2047-2606 

!assign ((resid    41 and name     HB1) or 
!        (resid    41 and name     HB2))   ((resid    69 and name    HD1#) or 
!                                           (resid    69 and name    HD2#) or
!                                           (resid    71 and name    HD*))        4.428 4.428 1.107  ! 2.15721 C-0135-0161 

assign ((resid    41 and name     HB*) or 
        (resid    41 and name     HB*))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.973 2.973 0.743 ! 2.15629 D-0047-0163 D-0048-0163 

assign ((resid    41 and name     HB*) or 
        (resid    41 and name     HB*))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.610 2.610 0.652 ! 2.15629 D-0528-1246 D-0529-1246 

assign ((resid    41 and name     HG1) or 
        (resid    41 and name     HG2))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      3.140 3.140 0.785 ! 2.39733 D-0514-1262 D-0515-1262 

assign ((resid    41 and name     HG1) or 
        (resid    41 and name     HG2))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.630 2.630 0.657 ! 2.39733 D-0534-1263 D-0535-1263 

assign ((resid    41 and name     HG1) or 
        (resid    41 and name     HG2))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      3.035 3.035 0.759 ! 2.39733 D-1182-3071 D-1183-3071 

assign ((resid    41 and name     HG1) or 
        (resid    41 and name     HG2))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.625 2.625 0.656 ! 2.39733 D-1195-3072 D-1196-3072 

assign ((resid    41 and name     HG1) or 
        (resid    41 and name     HG2))   ((resid    69 and name      HG))      4.761 4.761 1.190 ! 4.38854 C-2409-3065 

assign ((resid    41 and name      HN))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      4.023 4.023 1.006 ! 4.29117 B-0136-0420 B-0137-0420 

assign ((resid    41 and name      HA))   ((resid    69 and name     HD*) or 
                                           (resid    71 and name     HD*))      4.708 4.708 1.177 ! 2.23 C-0868-1131 

assign ((resid    41 and name      HA) or 
        (resid    74 and name      HA))   ((resid    74 and name      HN))      2.962 2.962 0.741 ! 2.95062 B-0080-0232 B-0079-0232 

!assign ((resid    42 and name      HA))   ((resid    42 and name     HB*))      2.879 2.879 0.720 ! 2.977 C-0123-0152 

!assign ((resid    42 and name      HA))   ((resid    42 and name     HB*))      2.888 2.888 0.722 ! 2.313 C-0121-0151 

assign ((resid    42 and name      HA))   ((resid    42 and name     HD1) or 
                                           (resid    42 and name     HD2))      3.351 3.351 0.838 ! 3.99067 C-1093-1426 

assign ((resid    42 and name      HA))   ((resid    42 and name     HD1) or 
                                           (resid    42 and name     HD2) or 
                                           (resid    45 and name     HB2))      3.163 3.163 0.791 ! 3.98818 D-0643-1413 D-0644-1413 

assign ((resid    42 and name      HA))   ((resid    42 and name     HG1) or 
                                           (resid    42 and name     HG2))      3.002 3.002 0.750 ! 2.69354 C-0628-0765 

assign ((resid    42 and name      HA))   ((resid    42 and name      HN))      3.296 0.824 0.824 ! 2.989 A-0138-0166 

assign ((resid    42 and name     HB*))   ((resid    42 and name     HD1) or 
                                           (resid    42 and name     HD2))      3.166 3.166 0.791 ! 2.38904 C-1090-1415 

assign ((resid    42 and name     HB*))   ((resid    42 and name     HD1) or 
                                           (resid    42 and name     HD2))      3.203 3.203 0.801 ! 2.38904 C-1099-1416 

assign ((resid    42 and name     HB*) or 
        (resid    42 and name     HB*))   ((resid    42 and name      HN))      3.155 3.155 0.789 ! 2.4487 B-0209-0169 B-0210-0169 

!**assign ((resid    42 and name     HD1) or 
!**        (resid    42 and name     HD2))   ((resid    42 and name      HA))        2.789 2.789 0.697  ! 3.99067 C-2224-2879 

assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    42 and name     HB*))      3.067 3.067 0.767 ! 2.38904 D-0039-0144 D-0038-0144 

assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    42 and name     HB*))      2.995 2.995 0.749 ! 2.32656 D-0051-0143 D-0052-0143 

!*****assign ((resid    42 and name     HD1) or 
!*****        (resid    42 and name     HD2))   ((resid    42 and name     HD2) or 
!*****                                           (resid    42 and name     HD1))        1.083 1.083 0.271  ! 1.763 C-1096-1418 

!assign ((resid    42 and name     HD1) or 
!        (resid    42 and name     HD2))   ((resid    42 and name     HG1) or 
!                                           (resid    42 and name     HG2) or 
!                                           (resid    72 and name     HG1) or 
!                                           (resid    72 and name     HG2))      2.205 2.205 0.551 ! 2.13132 D-0176-0721 D-0177-0721 

assign ((resid    42 and name     HG1) or 
        (resid    42 and name     HG2) or 
        (resid    43 and name      HG) or 
        (resid    72 and name     HG1) or 
        (resid    72 and name     HG2))   ((resid    42 and name      HN))      3.819 3.819 0.955 ! 3.69763 B-0062-0170 B-0064-0170 B-0063-0170 

assign ((resid    42 and name      HA))   ((resid    43 and name      HA))      4.408 1.102 1.102 ! 4.393 C-0065-0085 

assign ((resid    42 and name      HA))   ((resid    43 and name      HN))      2.117 0.529 0.529 ! 2.172 A-0069-0077 

assign ((resid    42 and name     HB*) or 
        (resid    42 and name     HB*))   ((resid    43 and name      HN))      3.965 3.965 0.991 ! 3.89982 B-0211-0080 B-0212-0080 

assign ((resid    42 and name     HG1) or 
        (resid    42 and name     HG2) or 
        (resid    43 and name      HG))   ((resid    43 and name      HA))      3.383 3.383 0.846 ! 2.94416 D-0167-0712 D-0168-0712 

!assign ((resid    42 and name     HG1) or 
!        (resid    42 and name     HG2) or 
!        (resid    43 and name      HG))   ((resid    43 and name     HB1))      3.085 3.085 0.771 ! 2.9744 D-0386-1098 D-0387-1098 

!assign ((resid    42 and name     HG1) or 
!        (resid    42 and name     HG2) or 
!        (resid    43 and name      HG))   ((resid    43 and name     HD*))      2.508 2.508 0.627 ! 2.10779 D-0165-0716 D-0166-0716 

!*****assign ((resid    42 and name     HG1) or 
!*****        (resid    42 and name     HG2) or 
!*****        (resid    43 and name      HG))   ((resid    43 and name      HG) or 
!*****                                           (resid    42 and name     HG1) or 
!*****                                           (resid    42 and name     HG2))        1.142 1.142 0.285  ! 5.59188 D-0163-0713 D-0162-0713 

assign ((resid    42 and name     HG1) or 
        (resid    42 and name     HG2) or 
        (resid    43 and name      HG))   ((resid    43 and name      HN))      3.324 3.324 0.831 ! 2.81427 B-0020-0081 B-0021-0081 

!assign ((resid    42 and name     HB1))   ((resid    44 and name    HD1#))       4.414 1.103 1.103  ! 4.518 C-0148-0154 

assign ((resid    42 and name     HB*))   ((resid    44 and name    HD1#))      4.156 4.156 1.039 ! 4.709 C-0146-0153 

assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    44 and name    HD1#))      4.075 4.075 1.019 ! 3.624 C-1092-1427 

assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    44 and name    HD1#))      3.744 3.744 0.936 ! 3.624 C-1100-1428 

assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    44 and name    HD1#))      3.305 3.305 0.826 ! 3.624 D-1198-3039 D-1197-3039 

assign ((resid    42 and name     HG1) or 
        (resid    42 and name     HG2) or 
        (resid    43 and name      HG))   ((resid    44 and name    HD1#))      4.425 4.425 1.106 ! 2.33232 D-0175-0718 D-0164-0718 

assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2) or 
        (resid    45 and name     HB2))   ((resid    45 and name      HN))      3.602 3.602 0.900 ! 3.37101 B-0002-0023 B-0001-0023 

assign ((resid    42 and name     HB*))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      4.122 4.122 1.030 ! 4.87184 C-2249-2796 

assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    49 and name     HB1) or 
                                           (resid    49 and name     HB2))      4.801 4.801 1.200 ! 4.67569 C-0424-0496 

assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      4.323 4.323 1.081 ! 3.82055 C-1094-1424 

assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      4.433 4.433 1.108 ! 3.82055 C-1095-1425 

assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      3.948 3.948 0.987 ! 3.82055 C-2246-2800 

assign ((resid    42 and name     HG1) or 
        (resid    42 and name     HG2))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      4.249 4.249 1.062 ! 2.12688 C-0630-0763 

assign ((resid    42 and name     HG1) or 
        (resid    42 and name     HG2))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      3.975 3.975 0.994 ! 2.12688 C-0633-0764 

assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      3.847 3.847 0.962 ! 3.08509 D-0640-1419 D-0639-1419 

assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      3.363 3.363 0.841 ! 3.08509 D-0763-1599 D-0762-1599 

assign ((resid    42 and name     HG1) or 
        (resid    42 and name     HG2) or 
        (resid    43 and name      HG))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      4.052 4.052 1.013 ! 3.99224 D-0733-1596 D-0731-1596 D-0734-1596 D-0732-1596 

assign ((resid    42 and name      HA))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      4.122 4.122 1.030 ! 4.2562 D-1120-2878 D-1121-2878 

assign ((resid    42 and name     HB*))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      4.476 4.476 1.119 ! 5.01895 D-0589-1245 D-0590-1245 

assign ((resid    42 and name      HN))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.743 2.743 0.686 ! 2.29616 B-0067-0171 B-0068-0171 

assign ((resid    42 and name      HA))   ((resid    70 and name    HG2#))      4.461 4.461 1.115 ! 5.911 C-1386-1820 

assign ((resid    42 and name     HB*))   ((resid    70 and name      HB))      3.371 3.371 0.843 ! 2.723 C-0150-0149 

assign ((resid    42 and name     HB*))   ((resid    70 and name    HG2#))      3.467 3.467 0.867 ! 4.136 C-0149-0147 

assign ((resid    42 and name     HB*) or 
        (resid    42 and name     HB*))   ((resid    70 and name      HN))      4.306 4.306 1.077 ! 3.3195 B-0217-0620 B-0218-0620 

assign ((resid    42 and name     HB*))   ((resid    70 and name      HB))      3.252 3.252 0.813 ! 4.348 C-0122-0148 

assign ((resid    42 and name     HB*))   ((resid    70 and name    HG2#))      3.387 3.387 0.847 ! 5.439 C-0147-0146 

assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    70 and name      HB))      4.443 4.443 1.111 ! 2.91494 C-1088-1421 

assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    70 and name      HB))      4.653 4.653 1.163 ! 2.91494 C-1097-1422 

assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    70 and name      HB))      3.985 3.985 0.996 ! 2.91494 C-2193-2765 

assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    70 and name    HG2#))      3.787 3.787 0.947 ! 3.88084 C-1091-1420 

assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2) or 
        (resid    45 and name     HB2))   ((resid    70 and name    HG2#))      3.635 3.635 0.909 ! 3.87541 D-0641-1406 D-0642-1406 

assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    70 and name    HG2#))      3.331 3.331 0.833 ! 3.88084 D-0809-1812 D-0810-1812 

assign ((resid    42 and name     HG1) or 
        (resid    42 and name     HG2))   ((resid    70 and name    HG2#))      4.033 4.033 1.008 ! 3.4062 C-0629-0755 

assign ((resid    42 and name      HN))   ((resid    71 and name      HA))      3.736 0.934 0.934 ! 3.436 A-0131-0167 

assign ((resid    42 and name     HB*))   ((resid    72 and name      HA))      4.792 4.792 1.198 ! 5.693 C-0124-0150 

assign ((resid    42 and name     HB*) or 
        (resid    72 and name     HB*))   ((resid    72 and name      HN))      3.205 3.205 0.801 ! 3.44425 B-0027-0100 B-0026-0100 

assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2))   ((resid    72 and name      HA))      4.320 4.320 1.080 ! 5.35343 C-1098-1423 

assign ((resid    42 and name     HD1) or 
        (resid    42 and name     HD2) or 
        (resid    72 and name     HD1) or 
        (resid    72 and name     HD2))   ((resid    72 and name      HA))      2.967 2.967 0.742 ! 4.27257 D-1091-2777 D-1090-2777 

!assign ((resid    42 and name     HG1) or 
!        (resid    42 and name     HG2) or 
!        (resid    72 and name     HG1) or 
!        (resid    72 and name     HG2))   ((resid    72 and name     HB*))      1.960 1.960 0.490 ! 2.2451 D-0160-0719 D-0161-0719 

assign ((resid    42 and name     HG1) or 
        (resid    42 and name     HG2) or 
        (resid    43 and name      HG) or 
        (resid    72 and name     HG1) or 
        (resid    72 and name     HG2))   ((resid    72 and name      HN) or 
                                           (resid    31 and name      HN))      3.016 3.016 0.754 ! 3.47357 B-0029-0103 B-0028-0103 B-0031-0103 B-0030-0103 

assign ((resid    42 and name     HB*) or 
        (resid    72 and name     HB*))   ((resid    73 and name      HN))      3.990 3.990 0.998 ! 4.36615 B-0014-0066 B-0015-0066 

!assign ((resid    43 and name      HA))   ((resid    43 and name     HB1))      2.644 0.661 0.661 ! 2.477 C-0849-1094 

!assign ((resid    43 and name      HA))   ((resid    43 and name     HB2))      3.035 0.759 0.759 ! 2.996 C-0825-1093 

assign ((resid    43 and name      HA))   ((resid    43 and name     HD*))      3.751 3.751 0.938 ! 3.913 C-0729-0842 

assign ((resid    43 and name      HA))   ((resid    43 and name      HN))      3.429 0.857 0.857 ! 2.975 A-0070-0079 

!assign ((resid    43 and name     HB1))   ((resid    43 and name      HA))      2.551 0.638 0.638 ! 2.477 C-0069-0080 

!*****assign ((resid    43 and name     HB1))   ((resid    43 and name     HB2))       1.806 0.452 0.452  ! 1.763 C-0826-1103 

assign ((resid    43 and name     HB1))   ((resid    43 and name     HD*))      2.749 2.749 0.687 ! 2.389 C-0728-0846 

!assign ((resid    43 and name     HB1))   ((resid    43 and name      HG))      3.093 0.773 0.773 ! 2.983 C-0612-0715 

assign ((resid    43 and name     HB1))   ((resid    43 and name      HN))      3.621 0.905 0.905 ! 3.697 A-0068-0083 

!assign ((resid    43 and name     HB2))   ((resid    43 and name      HA))      2.965 0.741 0.741 ! 2.996 C-0068-0079 

!*****assign ((resid    43 and name     HB2))   ((resid    43 and name     HB1))       1.798 0.450 0.450  ! 1.763 C-0848-1104 

assign ((resid    43 and name     HB2))   ((resid    43 and name     HD*))      2.637 2.637 0.659 ! 2.221 C-0661-0845 

assign ((resid    43 and name     HB2))   ((resid    43 and name     HD*))      3.298 3.298 0.825 ! 3.133 C-0977-1204 

assign ((resid    43 and name     HB2))   ((resid    43 and name      HN))      2.823 0.706 0.706 ! 2.482 A-0067-0082 

assign ((resid    43 and name     HD*))   ((resid    43 and name      HA))      3.595 3.595 0.899 ! 3.913 C-0072-0078 

assign ((resid    43 and name     HD*))   ((resid    43 and name     HB1))      2.892 2.892 0.723 ! 2.389 C-0852-1100 

assign ((resid    43 and name     HD*))   ((resid    43 and name     HB2))      2.776 2.776 0.694 ! 2.221 C-0831-1099 

assign ((resid    43 and name     HD*))   ((resid    43 and name     HB1))      2.566 2.566 0.641 ! 2.221 C-0853-1107 

assign ((resid    43 and name     HD*))   ((resid    43 and name     HB2))      3.062 3.062 0.765 ! 3.133 C-0834-1106 

assign ((resid    43 and name     HD*) or 
        (resid    71 and name     HD*) or 
        (resid    69 and name    HD1#) or 
        (resid    69 and name    HD2#))   ((resid    43 and name      HN))      4.270 4.270 1.067 ! 3.69982 B-0023-0084 B-0022-0084 

assign ((resid    43 and name      HG))   ((resid    43 and name      HA))      3.225 0.806 0.806 ! 3.008 C-0071-0077 

!assign ((resid    43 and name      HG))   ((resid    43 and name     HB2))      3.331 0.833 0.833 ! 2.506 C-0830-1097 

assign ((resid    43 and name      HA))   ((resid    44 and name      HA))      4.515 1.129 1.129 ! 4.366 C-0066-0084 

assign ((resid    43 and name      HA))   ((resid    44 and name      HA))      4.540 1.135 1.135 ! 4.366 C-1789-2350 

assign ((resid    43 and name      HA))   ((resid    44 and name      HB))      4.835 1.209 1.209 ! 4.639 C-1421-1848 

assign ((resid    43 and name      HA))   ((resid    44 and name    HD1#))      4.228 4.228 1.057 ! 3.954 C-0024-0086 

assign ((resid    43 and name      HA))   ((resid    44 and name    HD1#))      4.176 4.176 1.044 ! 3.954 C-2431-3031 

assign ((resid    43 and name      HA))   ((resid    44 and name    HG11) or 
                                           (resid    44 and name    HG12))      4.659 4.659 1.165 ! 3.45397 C-0067-0076 

assign ((resid    43 and name      HA))   ((resid    44 and name    HG11) or 
                                           (resid    44 and name    HG12))      4.835 4.835 1.209 ! 3.45397 C-0546-0589 

assign ((resid    43 and name      HA))   ((resid    44 and name    HG11) or 
                                           (resid    44 and name    HG12) or 
                                           (resid    69 and name      HG))      4.498 4.498 1.125 ! 3.42502 D-0147-0588 D-0146-0588 

assign ((resid    43 and name      HA))   ((resid    44 and name      HN))      2.183 0.546 0.546 ! 2.087 A-0159-0189 

assign ((resid    43 and name     HB1))   ((resid    44 and name      HN))      3.855 0.964 0.964 ! 3.133 A-0157-0194 

assign ((resid    43 and name     HD*) or 
        (resid    71 and name     HD*) or 
        (resid    69 and name    HD1#) or 
        (resid    69 and name    HD2#))   ((resid    44 and name      HN))      3.572 3.572 0.893 ! 3.13817 B-0072-0196 B-0071-0196 

assign ((resid    43 and name      HN))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      4.288 4.288 1.072 ! 3.32176 A-0066-0078 

assign ((resid    43 and name      HA))   ((resid    50 and name     HD*))      4.606 4.606 1.151 ! 4.515 C-0779-0946 

assign ((resid    43 and name     HB1))   ((resid    50 and name     HB2))      3.930 0.983 0.983 ! 3.479 C-0847-1111 

assign ((resid    43 and name     HB1))   ((resid    50 and name     HB2))      3.855 0.964 0.964 ! 3.479 C-1366-1795 

assign ((resid    43 and name     HB1))   ((resid    50 and name     HD*))      2.745 2.745 0.686 ! 2.441 C-0781-0955 

assign ((resid    43 and name     HB1))   ((resid    50 and name     HD*))      2.980 2.980 0.745 ! 2.441 C-0851-1102 

assign ((resid    43 and name     HB2))   ((resid    50 and name     HB1))      4.116 1.029 1.029 ! 4.113 C-0829-1110 

assign ((resid    43 and name     HB2))   ((resid    50 and name     HB2))      3.400 0.850 0.850 ! 2.48 C-0827-1109 

assign ((resid    43 and name     HB2))   ((resid    50 and name     HD*))      3.067 3.067 0.767 ! 2.887 C-0832-1101 

assign ((resid    43 and name     HB2))   ((resid    50 and name     HD*))      4.695 4.695 1.174 ! 4.763 C-0823-1112 

assign ((resid    43 and name     HD*))   ((resid    50 and name     HB1))      4.678 4.678 1.169 ! 4.288 C-1373-1790 

assign ((resid    43 and name     HD*))   ((resid    50 and name     HB2))      4.741 4.741 1.185 ! 3.413 C-0663-0848 

assign ((resid    43 and name     HD*))   ((resid    50 and name     HD*))      3.678 3.678 0.919 ! 3.773 C-0938-1203 

assign ((resid    43 and name     HD*) or 
        (resid    56 and name     HD*))   ((resid    56 and name      HN))      3.731 3.731 0.933 ! 3.65573 B-0134-0407 B-0135-0407 

!assign ((resid    43 and name    HD*))   ((resid    61 and name    HG11) or 
!                                           (resid    61 and name    HG12))        4.425 4.425 1.106  ! 6.91352 C-0466-0528 

assign ((resid    43 and name      HA))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2) or 
                                           (resid    69 and name     HB1))      4.449 4.449 1.112 ! 4.0281 D-0020-0082 D-0021-0082 

assign ((resid    43 and name     HD*))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2) or 
                                           (resid    69 and name     HB1))      2.646 2.646 0.661 ! 2.68176 D-0621-1327 D-0622-1327 

assign ((resid    43 and name      HA))   ((resid    69 and name     HB1))      4.712 1.178 1.178 ! 5.589 C-0981-1318 

assign ((resid    43 and name      HA))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      3.635 3.635 0.909 ! 3.22221 D-0510-1244 D-0511-1244 

assign ((resid    43 and name     HD*))   ((resid    69 and name      HA))      2.396 2.396 0.599 ! 2.754 C-0939-1219 

!assign ((resid    43 and name    HD*))   ((resid    69 and name     HB1))       2.700 2.700 0.675  ! 4.023 C-0945-1206 

assign ((resid    43 and name     HD*) or 
        (resid    69 and name    HD1#) or 
        (resid    69 and name    HD2#) or 
        (resid    71 and name     HD*))   ((resid    69 and name      HN))      4.129 4.129 1.032 ! 3.52117 B-0009-0061 B-0007-0061 B-0008-0061 

assign ((resid    43 and name      HA))   ((resid    70 and name    HG2#))      4.643 4.643 1.161 ! 4.822 C-0070-0083 

assign ((resid    43 and name      HA))   ((resid    70 and name      HN))      4.335 1.084 1.084 ! 3.65 A-0518-0619 

assign ((resid    43 and name     HD*) or 
        (resid    69 and name    HD1#) or 
        (resid    69 and name    HD2#) or 
        (resid    71 and name     HD*))   ((resid    70 and name      HN))      2.759 2.759 0.690 ! 2.86095 B-0194-0624 B-0192-0624 B-0193-0624 

assign ((resid    43 and name     HD*) or 
        (resid    69 and name    HD1#) or 
        (resid    69 and name    HD2#) or 
        (resid    71 and name     HD*))   ((resid    71 and name      HN))      3.888 3.888 0.972 ! 3.69881 B-0054-0146 B-0052-0146 B-0053-0146 

!assign ((resid    44 and name      HA))   ((resid    44 and name      HB))      2.790 0.698 0.698 ! 3.06 C-1427-1856 

assign ((resid    44 and name      HA))   ((resid    44 and name    HD1#))      2.704 2.704 0.676 ! 2.265 C-2422-3043 

assign ((resid    44 and name      HA))   ((resid    44 and name    HG11) or 
                                           (resid    44 and name    HG12))      2.944 2.944 0.736 ! 3.12698 C-0514-0601 

assign ((resid    44 and name      HA))   ((resid    44 and name    HG11) or 
                                           (resid    44 and name    HG12))      2.907 2.907 0.727 ! 3.12698 C-0542-0602 

assign ((resid    44 and name      HA))   ((resid    44 and name    HG2#))      2.304 2.304 0.576 ! 2.408 C-1815-2344 

assign ((resid    44 and name      HA))   ((resid    44 and name      HN))      3.366 0.842 0.842 ! 2.955 A-0153-0198 

!assign ((resid    44 and name      HB))   ((resid    44 and name      HA))      2.890 0.723 0.723 ! 3.06 C-1788-2356 

assign ((resid    44 and name      HB))   ((resid    44 and name    HD1#))      2.674 2.674 0.668 ! 3.239 C-2429-3041 

!assign ((resid    44 and name      HB))   ((resid    44 and name    HG11) or 
!                                           (resid    44 and name    HG12))      2.779 2.779 0.695 ! 2.18703 C-0522-0597 

!assign ((resid    44 and name      HB))   ((resid    44 and name    HG11) or 
!                                           (resid    44 and name    HG12))      3.090 3.090 0.772 ! 2.18703 C-0545-0598 

!assign ((resid    44 and name      HB))   ((resid    44 and name    HG2#))      2.299 2.299 0.575 ! 2.098 C-1819-2343 

assign ((resid    44 and name      HB))   ((resid    44 and name      HN))      2.810 0.703 0.703 ! 2.777 A-0156-0197 

assign ((resid    44 and name    HD1#))   ((resid    44 and name      HA))      2.764 2.764 0.691 ! 2.265 C-1784-2361 

assign ((resid    44 and name    HD1#))   ((resid    44 and name      HB))      2.700 2.700 0.675 ! 3.239 C-1425-1859 

!assign ((resid    44 and name    HD1#))   ((resid    44 and name    HG11) or 
!                                           (resid    44 and name    HG12))      2.608 2.608 0.652 ! 1.9043 C-0515-0608 

!assign ((resid    44 and name    HD1#))   ((resid    44 and name    HG11) or 
!                                           (resid    44 and name    HG12))      2.592 2.592 0.648 ! 1.9043 C-0537-0609 

!assign ((resid    44 and name    HD1#))   ((resid    44 and name    HG2#))       2.215 0.554 0.554  ! 2.008 C-1810-2349 

!***assign ((resid    44 and name    HD1#))   ((resid    44 and name      HN))       4.168 1.042 1.042  ! 3.495 A-0155-0190 

assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    44 and name      HA))      2.998 2.998 0.750 ! 3.12698 C-1782-2352 

assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    44 and name      HA))      3.037 3.037 0.759 ! 3.12698 C-1781-2353 

!assign ((resid    44 and name    HG11) or 
!        (resid    44 and name    HG12))   ((resid    44 and name      HB))      2.698 2.698 0.674 ! 2.18703 C-1360-1851 

!assign ((resid    44 and name    HG11) or 
!        (resid    44 and name    HG12))   ((resid    44 and name      HB))      3.172 3.172 0.793 ! 2.18703 C-1422-1852 

!assign ((resid    44 and name    HG11) or 
!        (resid    44 and name    HG12))   ((resid    44 and name    HD1#))      2.598 2.598 0.649 ! 1.9043 C-2425-3036 

!assign ((resid    44 and name    HG11) or 
!        (resid    44 and name    HG12))   ((resid    44 and name    HD1#))      2.367 2.367 0.592 ! 1.9043 C-2426-3037 

!*****assign ((resid    44 and name    HG11) or 
!*****        (resid    44 and name    HG12))   ((resid    44 and name    HG12) or 
!*****                                           (resid    44 and name    HG11))        1.777 1.777 0.444  ! 1.763 C-0517-0592 

!*****assign ((resid    44 and name    HG11) or 
!*****        (resid    44 and name    HG12))   ((resid    44 and name    HG12) or 
!*****                                           (resid    44 and name    HG11))        1.744 1.744 0.436  ! 1.763 C-0538-0593 

!assign ((resid    44 and name    HG11) or 
!        (resid    44 and name    HG12))   ((resid    44 and name    HG2#))      2.725 2.725 0.681 ! 2.28195 C-1814-2339 

!assign ((resid    44 and name    HG11) or 
!        (resid    44 and name    HG12))   ((resid    44 and name    HG2#))      2.712 2.712 0.678 ! 2.28195 C-1816-2340 

assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    44 and name      HN))      3.653 3.653 0.913 ! 2.66803 A-0154-0193 

assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12) or 
        (resid    69 and name      HG))   ((resid    44 and name      HN))      3.550 3.550 0.887 ! 2.66658 B-0074-0192 B-0073-0192 

assign ((resid    44 and name    HG2#))   ((resid    44 and name      HA))      2.262 2.262 0.566 ! 2.408 C-1786-2358 

!assign ((resid    44 and name    HG2#))   ((resid    44 and name      HB))      2.186 2.186 0.546 ! 2.098 C-1426-1855 

!assign ((resid    44 and name    HG2#))   ((resid    44 and name    HG11) or 
!                                           (resid    44 and name    HG12))      2.610 2.610 0.652 ! 2.28195 C-0518-0599 

!assign ((resid    44 and name    HG2#))   ((resid    44 and name    HG11) or 
!                                           (resid    44 and name    HG12))      2.537 2.537 0.634 ! 2.28195 C-0539-0600 

assign ((resid    44 and name    HG2#))   ((resid    44 and name      HN))      4.226 4.226 1.056 ! 3.927 A-0152-0199 

assign ((resid    44 and name      HA))   ((resid    45 and name      HN))      2.125 0.531 0.531 ! 2.119 A-0022-0026 

assign ((resid    44 and name    HG2#))   ((resid    45 and name      HA))      3.546 3.546 0.886 ! 3.42 C-1811-2346 

assign ((resid    44 and name    HG2#))   ((resid    45 and name      HA))      3.248 3.248 0.812 ! 3.42 C-1977-2548 

assign ((resid    44 and name    HG2#))   ((resid    45 and name     HB2))      4.896 4.896 1.224 ! 4.898 C-1820-2342 

assign ((resid    44 and name    HG2#))   ((resid    45 and name      HN))      2.766 2.766 0.692 ! 2.648 A-0023-0027 

assign ((resid    44 and name    HG2#))   ((resid    46 and name      HA))      4.668 4.668 1.167 ! 4.863 C-0091-0138 

assign ((resid    44 and name    HG2#))   ((resid    46 and name      HA))      4.923 4.923 1.231 ! 4.863 C-1821-2335 

assign ((resid    44 and name    HG2#))   ((resid    47 and name     HA*))      3.169 3.169 0.792 ! 4.017 C-0904-1173 

assign ((resid    44 and name    HG2#))   ((resid    47 and name     HA*))      3.816 3.816 0.954 ! 4.017 C-1813-2341 

assign ((resid    44 and name    HG2#))   ((resid    47 and name     HA*))      2.835 2.835 0.709 ! 2.646 C-0922-1174 

assign ((resid    44 and name    HG2#))   ((resid    47 and name      HN))      2.704 2.704 0.676 ! 2.851 A-0133-0163 

assign ((resid    44 and name    HG2#))   ((resid    48 and name      HA))      3.913 3.913 0.978 ! 4.248 C-1839-2348 

assign ((resid    44 and name    HG2#))   ((resid    48 and name      HA))      3.697 3.697 0.924 ! 4.248 C-2333-2957 

assign ((resid    44 and name    HG2#))   ((resid    48 and name      HN))      3.011 3.011 0.753 ! 3.028 A-0171-0220 

assign ((resid    44 and name      HA))   ((resid    49 and name      HA))      2.225 0.556 0.556 ! 2.65 C-1785-2359 

assign ((resid    44 and name      HA))   ((resid    49 and name      HA))      2.182 0.545 0.545 ! 2.65 C-2070-2738 

assign ((resid    44 and name      HA))   ((resid    49 and name     HB1) or 
                                           (resid    49 and name     HB2))      4.556 4.556 1.139 ! 4.57847 C-0419-0500 

assign ((resid    44 and name      HA))   ((resid    49 and name     HB1) or 
                                           (resid    49 and name     HB2))      3.939 3.939 0.985 ! 4.57847 C-1780-2351 

assign ((resid    44 and name      HA))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      4.423 4.423 1.106 ! 4.1056 C-1822-2360 

assign ((resid    44 and name      HA))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      4.183 4.183 1.046 ! 4.1056 C-2251-2804 

assign ((resid    44 and name      HB))   ((resid    49 and name      HA))      4.717 1.179 1.179 ! 5.224 C-1429-1857 

assign ((resid    44 and name    HD1#))   ((resid    49 and name      HA))      2.650 2.650 0.662 ! 2.018 C-2073-2740 

assign ((resid    44 and name    HD1#))   ((resid    49 and name      HA))      2.598 2.598 0.649 ! 2.018 C-2424-3045 

assign ((resid    44 and name    HD1#))   ((resid    49 and name     HB1) or 
                                           (resid    49 and name     HB2))      3.355 3.355 0.839 ! 2.61373 C-0423-0503 

assign ((resid    44 and name    HD1#))   ((resid    49 and name     HB1) or 
                                           (resid    49 and name     HB2))      3.018 3.018 0.754 ! 2.61373 C-2421-3035 

assign ((resid    44 and name    HD1#))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      3.037 3.037 0.759 ! 2.07551 C-2248-2806 

assign ((resid    44 and name    HD1#))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      2.864 2.864 0.716 ! 2.07551 C-2430-3047 

assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    49 and name      HA))      3.400 3.400 0.850 ! 4.06653 C-0516-0603 

assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    49 and name      HA))      3.259 3.259 0.815 ! 4.06653 C-0540-0604 

assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    49 and name      HA))      3.557 3.557 0.889 ! 4.06653 C-2075-2733 

assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    49 and name      HA))      3.232 3.232 0.808 ! 4.06653 C-2069-2734 

assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    49 and name     HB1) or 
                                           (resid    49 and name     HB2))      4.659 4.659 1.165 ! 4.64466 C-0416-0495 

assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    49 and name     HB1) or 
                                           (resid    49 and name     HB2))      4.531 4.531 1.133 ! 4.64466 C-0543-0591 

assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      4.282 4.282 1.071 ! 3.97289 C-0521-0606 

assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      4.023 4.023 1.006 ! 3.97289 C-0544-0607 

assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      4.546 4.546 1.137 ! 3.97289 C-2185-2798 

assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      4.261 4.261 1.065 ! 3.97289 C-2184-2799 

assign ((resid    44 and name    HG2#))   ((resid    49 and name      HA))      3.363 3.363 0.841 ! 3.527 C-1817-2347 

assign ((resid    44 and name    HG2#))   ((resid    49 and name      HA))      3.193 3.193 0.798 ! 3.527 C-2072-2737 

assign ((resid    44 and name    HG2#))   ((resid    49 and name     HB1) or 
                                           (resid    49 and name     HB2))      4.888 4.888 1.222 ! 4.33957 C-0418-0499 

assign ((resid    44 and name    HG2#))   ((resid    49 and name     HB1) or 
                                           (resid    49 and name     HB2))      4.046 4.046 1.012 ! 4.33957 C-1809-2338 

assign ((resid    44 and name    HG2#))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      4.392 4.392 1.098 ! 4.69534 C-2250-2803 

assign ((resid    44 and name      HA))   ((resid    50 and name     HD*))      3.184 3.184 0.796 ! 4.235 C-0765-0963 

assign ((resid    44 and name      HA))   ((resid    50 and name     HD*))      4.119 4.119 1.030 ! 4.235 C-1779-2354 

assign ((resid    44 and name      HA))   ((resid    50 and name     HD*))      3.794 3.794 0.949 ! 3.711 C-1549-1967 

assign ((resid    44 and name      HA))   ((resid    50 and name     HD*))      3.744 3.744 0.936 ! 3.711 C-1787-2357 

assign ((resid    44 and name      HA))   ((resid    50 and name      HG))      3.339 0.835 0.835 ! 3.069 C-0794-0994 

assign ((resid    44 and name      HA))   ((resid    50 and name      HG))      3.294 0.824 0.824 ! 3.069 C-1783-2355 

assign ((resid    44 and name      HA))   ((resid    50 and name      HN))      3.314 0.829 0.829 ! 3.352 A-0015-0018 

assign ((resid    44 and name    HD1#))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      3.196 3.196 0.799 ! 4.94829 D-0738-1613 D-0737-1613 

assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    66 and name    HG2#) or 
                                           (resid    70 and name    HG1#))      4.462 4.462 1.115 ! 4.53209 D-0730-1594 D-0729-1594 

assign ((resid    44 and name      HN))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2) or 
                                           (resid    69 and name     HB1))      4.374 4.374 1.093 ! 3.49181 B-0069-0195 B-0070-0195 

assign ((resid    44 and name      HB))   ((resid    68 and name      HA))      4.875 1.219 1.219 ! 4.854 C-1428-1858 

assign ((resid    44 and name      HB))   ((resid    68 and name      HA))      4.931 1.233 1.233 ! 4.854 C-2267-2901 

assign ((resid    44 and name      HB))   ((resid    68 and name     HB1))      2.835 0.709 0.709 ! 3.447 C-0247-0271 

assign ((resid    44 and name      HB))   ((resid    68 and name     HB1))      2.998 0.750 0.750 ! 3.447 C-1424-1849 

assign ((resid    44 and name      HB))   ((resid    68 and name     HB2))      2.689 0.672 0.672 ! 1.926 C-0252-0272 

assign ((resid    44 and name      HB))   ((resid    68 and name     HB2))      2.464 0.616 0.616 ! 1.926 C-1423-1850 

assign ((resid    44 and name      HB))   ((resid    68 and name      HN))      3.670 0.917 0.917 ! 3.249 A-0319-0391 

assign ((resid    44 and name    HD1#))   ((resid    68 and name     HB1))      4.254 4.254 1.063 ! 5.603 C-0244-0279 

assign ((resid    44 and name    HD1#))   ((resid    68 and name     HB1))      4.149 4.149 1.037 ! 5.603 C-2427-3033 

assign ((resid    44 and name    HD1#))   ((resid    68 and name     HB2))      4.383 4.383 1.096 ! 4.692 C-0251-0280 

assign ((resid    44 and name    HD1#))   ((resid    68 and name     HB2))      4.043 4.043 1.011 ! 4.692 C-2420-3034 

assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    68 and name     HB1))      4.923 4.923 1.231 ! 4.00281 C-0240-0266 

assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    68 and name     HB1))      4.635 4.635 1.159 ! 4.00281 C-0520-0590 

assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    68 and name     HB2))      4.606 4.606 1.151 ! 3.28516 C-0274-0268 

assign ((resid    44 and name    HG2#))   ((resid    68 and name     HB1))      3.704 3.704 0.926 ! 4.58 C-0246-0273 

assign ((resid    44 and name    HG2#))   ((resid    68 and name     HB1))      4.156 4.156 1.039 ! 4.58 C-1818-2336 

assign ((resid    44 and name    HG2#))   ((resid    68 and name     HB2))      3.704 3.704 0.926 ! 3.389 C-0248-0274 

assign ((resid    44 and name    HG2#))   ((resid    68 and name     HB2))      3.630 3.630 0.907 ! 3.389 C-1812-2337 

assign ((resid    44 and name    HG2#))   ((resid    68 and name     HE1))      4.484 4.484 1.121 ! 6.654 C-1840-2345 

assign ((resid    44 and name    HG2#))   ((resid    68 and name     HE1))      4.613 4.613 1.153 ! 6.654 C-2525-10073 

assign ((resid    44 and name      HN))   ((resid    68 and name     HB2))      4.217 1.054 1.054 ! 3.261 A-0158-0191 

assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12) or 
        (resid    69 and name      HG))   ((resid    69 and name      HN))      4.176 4.176 1.044 ! 4.15348 B-0010-0058 B-0011-0058 

assign ((resid    44 and name      HN))   ((resid    69 and name      HA))      4.374 1.093 1.093 ! 3.749 A-0160-0188 

assign ((resid    44 and name      HB))   ((resid    70 and name    HG2#))      3.541 3.541 0.885 ! 4.017 C-1394-1814 

assign ((resid    44 and name    HD1#))   ((resid    70 and name      HA))      4.942 4.942 1.236 ! 6.583 C-2419-3042 

assign ((resid    44 and name    HD1#))   ((resid    70 and name      HB))      3.525 3.525 0.881 ! 4.375 C-2195-2769 

assign ((resid    44 and name    HD1#))   ((resid    70 and name      HB))      3.606 3.606 0.901 ! 4.375 C-2428-3046 

assign ((resid    44 and name    HD1#))   ((resid    70 and name    HG2#))      2.305 2.305 0.576 ! 3.772 C-1390-1821 

assign ((resid    44 and name    HD1#))   ((resid    70 and name    HG2#))      2.210 2.210 0.552 ! 3.772 C-2423-3040 

assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    70 and name    HG2#))      3.255 3.255 0.814 ! 2.61021 C-0519-0595 

assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    70 and name    HG2#))      3.612 3.612 0.903 ! 2.61021 C-0541-0596 

assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12))   ((resid    70 and name    HG2#))      3.546 3.546 0.886 ! 2.61021 C-1388-1809 

assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12) or 
        (resid    69 and name      HG))   ((resid    70 and name    HG2#))      3.219 3.219 0.805 ! 2.60157 D-0808-1808 D-0807-1808 

assign ((resid    44 and name    HG11) or 
        (resid    44 and name    HG12) or 
        (resid    69 and name      HG))   ((resid    70 and name      HN))      4.092 4.092 1.023 ! 3.22032 B-0196-0621 B-0195-0621 

assign ((resid    44 and name    HG2#))   ((resid    70 and name    HG2#))      4.077 4.077 1.019 ! 4.381 C-1391-1817 

!assign ((resid    45 and name      HA))   ((resid    45 and name     HB1))      2.973 0.743 0.743 ! 3.003 C-1079-1410 

!assign ((resid    45 and name      HA))   ((resid    45 and name     HB2))      2.657 0.664 0.664 ! 2.418 C-1068-1409 

assign ((resid    45 and name      HA))   ((resid    45 and name     HD1) or 
                                           (resid    45 and name     HD2))      2.796 2.796 0.699 ! 2.71883 C-2504-10050 

!**assign ((resid    45 and name      HA))   ((resid    45 and name     HE1) or 
!**                                           (resid    45 and name     HE2))        3.371 3.371 0.843  ! 4.64302 C-2484-10032 

assign ((resid    45 and name      HA))   ((resid    45 and name      HN))      3.438 0.860 0.860 ! 2.935 A-0009-0028 

!assign ((resid    45 and name     HB1))   ((resid    45 and name      HA))      2.978 0.745 0.745 ! 3.003 C-1981-2545 

!*****assign ((resid    45 and name     HB1))   ((resid    45 and name     HB2))       1.878 0.469 0.469  ! 1.763 C-1069-1404 

assign ((resid    45 and name     HB1))   ((resid    45 and name     HD1) or 
                                           (resid    45 and name     HD2))      2.840 2.840 0.710 ! 2.29883 C-2499-10043 

!assign ((resid    45 and name     HB1))   ((resid    45 and name     HE1) or 
!                                           (resid    45 and name     HE2))        3.400 3.400 0.850  ! 4.40701 C-2481-10027 

assign ((resid    45 and name     HB1))   ((resid    45 and name      HN))      3.260 0.815 0.815 ! 2.857 A-0026-0024 

!assign ((resid    45 and name     HB2))   ((resid    45 and name      HA))      2.556 0.639 0.639 ! 2.418 C-1980-2544 

!*****assign ((resid    45 and name     HB2))   ((resid    45 and name     HB1))       1.898 0.474 0.474  ! 1.763 C-1075-1405 

assign ((resid    45 and name     HB2))   ((resid    45 and name     HD1) or 
                                           (resid    45 and name     HD2))      3.126 3.126 0.781 ! 2.48478 C-2500-10042 

assign ((resid    45 and name     HB2))   ((resid    45 and name     HE1) or 
                                           (resid    45 and name     HE2))      3.710 3.710 0.927 ! 4.46503 C-2482-10026 

assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    45 and name      HA))      2.993 2.993 0.748 ! 2.71883 C-1979-2540 

assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    45 and name     HB1))      3.193 3.193 0.798 ! 2.29883 C-1074-1397 

assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    45 and name     HB2))      3.312 3.312 0.828 ! 2.48478 C-1070-1396 

!assign ((resid    45 and name     HD1) or 
!        (resid    45 and name     HD2))   ((resid    45 and name     HE1) or 
!                                           (resid    45 and name     HE2))      2.028 2.028 0.507 ! 2.21606 C-2479-10020 

assign ((resid    45 and name     HE1) or 
        (resid    45 and name     HE2))   ((resid    45 and name      HA))      4.691 4.691 1.173 ! 4.64302 C-1983-2539 

!assign ((resid    45 and name     HE1) or 
!        (resid    45 and name     HE2))   ((resid    45 and name     HD1) or 
!                                           (resid    45 and name     HD2))      2.065 2.065 0.516 ! 2.21606 C-2501-10036 

assign ((resid    45 and name     HE1) or 
        (resid    45 and name     HE2))   ((resid    45 and name      HZ))      2.378 2.378 0.595 ! 2.20771 C-2517-10065 

assign ((resid    45 and name      HZ))   ((resid    45 and name     HE1) or 
                                           (resid    45 and name     HE2))      2.236 2.236 0.559 ! 2.20771 C-2480-10022 

assign ((resid    45 and name      HA))   ((resid    46 and name      HA))      4.377 1.094 1.094 ! 4.329 C-0093-0140 

assign ((resid    45 and name      HA))   ((resid    46 and name      HA))      4.881 1.220 1.220 ! 4.329 C-1976-2538 

assign ((resid    45 and name      HA))   ((resid    46 and name     HB#))      4.472 4.472 1.118 ! 4.013 C-1942-2448 

assign ((resid    45 and name      HA))   ((resid    46 and name     HB#))      4.136 4.136 1.034 ! 4.013 C-1975-2549 

assign ((resid    45 and name      HA))   ((resid    46 and name      HN))      2.432 0.608 0.608 ! 2.056 A-0454-0548 

assign ((resid    45 and name     HB1))   ((resid    46 and name     HB#))      4.588 4.588 1.147 ! 3.95 C-1901-2446 

assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    46 and name     HB#))      4.160 4.160 1.040 ! 2.79495 C-1903-2443 

assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    46 and name     HB#))      3.520 3.520 0.880 ! 2.79495 C-2497-10049 

assign ((resid    45 and name     HE1) or 
        (resid    45 and name     HE2))   ((resid    46 and name     HB#))      4.043 4.043 1.011 ! 3.13965 C-1906-2442 

assign ((resid    45 and name     HE1) or 
        (resid    45 and name     HE2))   ((resid    46 and name     HB#))      3.697 3.697 0.924 ! 3.13965 C-2488-10031 

assign ((resid    45 and name      HZ))   ((resid    46 and name     HB#))      4.714 4.714 1.179 ! 4.09 C-1902-2444 

assign ((resid    45 and name      HA))   ((resid    47 and name      HN))      4.395 1.099 1.099 ! 3.844 A-0130-0164 

assign ((resid    45 and name      HN))   ((resid    48 and name     HB1) or 
                                           (resid    48 and name     HB2))      4.279 4.279 1.070 ! 3.50724 A-0010-0020 

assign ((resid    45 and name      HN))   ((resid    49 and name      HA))      3.877 0.969 0.969 ! 3.964 A-0027-0019 

assign ((resid    45 and name      HA))   ((resid    50 and name     HD*))      4.472 4.472 1.118 ! 4.572 C-0770-0965 

assign ((resid    45 and name      HA))   ((resid    50 and name     HD*))      4.471 4.471 1.118 ! 4.572 C-2002-2541 

assign ((resid    45 and name      HA))   ((resid    50 and name     HD*))      4.358 4.358 1.089 ! 4.545 C-1550-1969 

assign ((resid    45 and name      HA))   ((resid    50 and name     HD*))      4.522 4.522 1.131 ! 4.545 C-1974-2547 

assign ((resid    45 and name     HB1))   ((resid    50 and name     HD*))      3.126 3.126 0.781 ! 2.757 C-1078-1400 

assign ((resid    45 and name     HB1))   ((resid    50 and name     HD*))      2.545 2.545 0.636 ! 2.145 C-1077-1408 

assign ((resid    45 and name     HB1))   ((resid    50 and name     HD*))      2.523 2.523 0.631 ! 2.145 C-1557-1961 

assign ((resid    45 and name     HB1))   ((resid    50 and name      HG))      4.602 1.151 1.151 ! 3.751 C-0798-0989 

assign ((resid    45 and name     HB2))   ((resid    50 and name     HD*))      2.965 2.965 0.741 ! 2.614 C-1067-1399 

assign ((resid    45 and name     HB2))   ((resid    50 and name     HD*))      2.866 2.866 0.717 ! 3.24 C-1071-1407 

assign ((resid    45 and name     HB2))   ((resid    50 and name     HD*))      3.050 3.050 0.762 ! 3.24 C-1556-1960 

assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    50 and name     HD*))      4.928 4.928 1.232 ! 4.039 C-0783-0950 

assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    50 and name     HD*))      4.342 4.342 1.085 ! 3.33656 C-1554-1952 

assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    50 and name     HD*))      3.779 3.779 0.945 ! 3.33656 C-2506-10044 

assign ((resid    45 and name     HE1) or 
        (resid    45 and name     HE2))   ((resid    50 and name     HD*))      4.469 4.469 1.117 ! 5.20488 C-2489-10028 

assign ((resid    45 and name      HN))   ((resid    50 and name     HD*))      4.252 4.252 1.063 ! 3.925 A-0024-0021 

assign ((resid    45 and name      HN))   ((resid    50 and name     HD*))      3.383 3.383 0.846 ! 2.979 A-0021-0025 

assign ((resid    45 and name      HN))   ((resid    50 and name      HG))      4.243 1.061 1.061 ! 3.321 A-0025-0022 

assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    59 and name     HB1))      4.186 4.186 1.046 ! 2.94663 C-2493-10046 

assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    59 and name     HB2))      4.860 4.860 1.215 ! 4.24343 C-2502-10047 

assign ((resid    45 and name     HB1))   ((resid    61 and name    HD1#))      3.339 3.339 0.835 ! 3.201 C-1076-1412 

assign ((resid    45 and name     HB2))   ((resid    61 and name    HD1#))      3.206 3.206 0.801 ! 3.276 C-1066-1411 

assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    61 and name    HD1#))      4.153 4.153 1.038 ! 3.4426 C-2163-2669 

assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    61 and name    HD1#))      3.589 3.589 0.897 ! 3.4426 C-2505-10051 

assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      4.493 4.493 1.123 ! 2.94868 C-2498-10037 

assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    61 and name    HG2#))      4.915 4.915 1.229 ! 4.1949 C-2477-10048 

assign ((resid    45 and name     HE1) or 
        (resid    45 and name     HE2))   ((resid    61 and name      HA))      4.723 4.723 1.181 ! 3.35853 C-1276-1729 

assign ((resid    45 and name     HE1) or 
        (resid    45 and name     HE2))   ((resid    61 and name    HD1#))      4.170 4.170 1.042 ! 4.28168 C-2483-10033 

assign ((resid    45 and name     HE1) or 
        (resid    45 and name     HE2))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      4.931 4.931 1.233 ! 3.0075 C-2491-10021 

assign ((resid    45 and name     HE1) or 
        (resid    45 and name     HE2))   ((resid    61 and name    HG2#))      4.835 4.835 1.209 ! 3.85693 C-2485-10030 

assign ((resid    45 and name      HZ))   ((resid    61 and name      HA))      4.137 1.034 1.034 ! 2.99 C-1350-1732 

assign ((resid    45 and name      HZ))   ((resid    61 and name      HA))      4.265 1.066 1.066 ! 2.99 C-2520-10068 

assign ((resid    45 and name      HZ))   ((resid    61 and name    HG2#))      4.689 4.689 1.172 ! 4.1 C-2518-10069 

assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    65 and name      HA))      4.976 4.976 1.244 ! 5.46575 C-2495-10045 

assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    65 and name     HB1))      3.653 3.653 0.913 ! 3.6115 C-2503-10040 

assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    65 and name     HB2))      4.881 4.881 1.220 ! 5.06187 C-2478-10041 

assign ((resid    45 and name     HE1) or 
        (resid    45 and name     HE2))   ((resid    65 and name      HA))      4.907 4.907 1.227 ! 3.66661 C-2486-10029 

assign ((resid    45 and name     HE1) or 
        (resid    45 and name     HE2))   ((resid    65 and name     HB1))      3.794 3.794 0.949 ! 2.34803 C-1026-1348 

assign ((resid    45 and name     HE1) or 
        (resid    45 and name     HE2))   ((resid    65 and name     HB1))      3.324 3.324 0.831 ! 2.34803 C-2487-10024 

assign ((resid    45 and name     HE1) or 
        (resid    45 and name     HE2))   ((resid    65 and name     HB2))      4.235 4.235 1.059 ! 4.04755 C-1037-1349 

assign ((resid    45 and name     HE1) or 
        (resid    45 and name     HE2))   ((resid    65 and name     HB2))      4.389 4.389 1.097 ! 4.04755 C-2476-10025 

assign ((resid    45 and name      HZ))   ((resid    65 and name     HB1))      4.403 1.101 1.101 ! 3.77 C-1025-1351 

assign ((resid    45 and name      HZ))   ((resid    65 and name     HB1))      4.409 1.102 1.102 ! 3.77 C-2521-10066 

assign ((resid    45 and name      HZ))   ((resid    65 and name     HB2))      4.956 1.239 1.239 ! 4.989 C-2519-10067 

assign ((resid    45 and name      HA))   ((resid    67 and name      HA) or 
                                           (resid    71 and name      HA))      3.426 3.426 0.857 ! 3.41689 D-1023-2551 D-1024-2551 

assign ((resid    45 and name      HA))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2) or 
                                           (resid    69 and name     HB1))      4.956 4.956 1.239 ! 4.54125 D-1025-2543 D-1026-2543 

assign ((resid    45 and name      HA))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.957 3.957 0.989 ! 3.80337 D-0454-1041 D-0453-1041 

assign ((resid    45 and name      HA))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.557 3.557 0.889 ! 3.80337 D-1022-2542 D-1021-2542 

assign ((resid    45 and name      HA))   ((resid    67 and name      HG))      4.808 1.202 1.202 ! 6.498 C-0382-0456 

assign ((resid    45 and name     HB1))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.595 3.595 0.899 ! 3.41115 D-0467-1034 D-0468-1034 

assign ((resid    45 and name     HB1))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.219 3.219 0.805 ! 3.41115 D-0634-1403 D-0636-1403 D-0635-1403 D-0633-1403 

assign ((resid    45 and name     HB1))   ((resid    67 and name      HG))      4.486 1.121 1.121 ! 6.583 C-0386-0453 

assign ((resid    45 and name     HB2))   ((resid    67 and name      HA) or 
                                           (resid    71 and name      HA))      3.879 3.879 0.970 ! 3.13793 D-0631-1414 D-0632-1414 

assign ((resid    45 and name     HB2))   ((resid    67 and name      HA) or 
                                           (resid    71 and name      HA))      3.751 3.751 0.938 ! 3.13793 D-1232-3138 D-1233-3138 

assign ((resid    45 and name     HB2))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.018 3.018 0.754 ! 2.2229 C-0886-1033 

assign ((resid    45 and name     HB2))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      2.773 2.773 0.693 ! 2.2229 D-0629-1402 D-0630-1402 D-0628-1402 D-0627-1402 

assign ((resid    45 and name     HB2))   ((resid    67 and name      HG))      3.430 0.858 0.858 ! 4.987 C-0385-0452 

assign ((resid    45 and name     HB2))   ((resid    67 and name      HG))      3.515 0.879 0.879 ! 4.987 C-1065-1395 

assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    67 and name      HA))      3.647 3.647 0.912 ! 2.78186 C-2442-3160 

assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    67 and name      HA))      3.355 3.355 0.839 ! 2.78186 C-2496-10053 

assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.779 3.779 0.945 ! 2.32455 D-0464-1029 D-0463-1029 D-0465-1029 D-0466-1029 

assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.134 3.134 0.783 ! 2.32455 D-1288-10039 D-1287-10039 D-1286-10039 D-1285-10039 

assign ((resid    45 and name     HD1) or 
        (resid    45 and name     HD2))   ((resid    67 and name      HG))      4.398 4.398 1.099 ! 4.85686 C-2494-10035 

assign ((resid    45 and name     HE1) or 
        (resid    45 and name     HE2))   ((resid    67 and name      HA))      4.158 4.158 1.040 ! 4.88908 C-2490-10034 

assign ((resid    45 and name     HE1) or 
        (resid    45 and name     HE2))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.562 3.562 0.890 ! 3.61447 D-1284-10023 D-1283-10023 D-1282-10023 D-1281-10023 

assign ((resid    45 and name      HA))   ((resid    68 and name     HE1))      4.046 1.012 1.012 ! 7.595 C-1982-2550 

assign ((resid    45 and name      HA))   ((resid    68 and name     HE1))      4.339 1.085 1.085 ! 7.595 C-2527-10074 

!*****assign ((resid    46 and name      HA))   ((resid    46 and name     HB#))       1.937 0.484 0.484  ! 2.127 C-1904-2440 

assign ((resid    46 and name      HA))   ((resid    46 and name      HN))      2.401 0.600 0.600 ! 2.326 A-0455-0547 

!*****assign ((resid    46 and name     HB#))   ((resid    46 and name      HA))       1.905 0.476 0.476  ! 2.127 C-0092-0139 

assign ((resid    46 and name     HB#))   ((resid    46 and name      HN))      2.976 2.976 0.744 ! 2.745 A-0453-0549 

assign ((resid    46 and name      HA))   ((resid    47 and name      HN))      2.668 0.667 0.667 ! 2.563 A-0135-0160 

assign ((resid    46 and name     HB#))   ((resid    47 and name      HN))      3.609 3.609 0.902 ! 3.6 A-0132-0165 

assign ((resid    46 and name     HB#))   ((resid    48 and name     HD1) or 
                                           (resid    48 and name     HD2))      4.967 4.967 1.242 ! 4.2926 C-0427-0491 

assign ((resid    46 and name     HB#))   ((resid    48 and name     HD1) or 
                                           (resid    48 and name     HD2))      4.406 4.406 1.101 ! 4.2926 C-1905-2441 

assign ((resid    46 and name     HB#))   ((resid    48 and name     HE1) or 
                                           (resid    48 and name     HE2))      3.832 3.832 0.958 ! 2.49536 C-1198-1667 

assign ((resid    46 and name     HB#))   ((resid    48 and name     HE1) or 
                                           (resid    48 and name     HE2))      3.930 3.930 0.983 ! 2.49536 C-1943-2447 

assign ((resid    46 and name     HB#))   ((resid    48 and name     HG1) or 
                                           (resid    48 and name     HG2))      4.135 4.135 1.034 ! 3.56237 C-0934-1179 

assign ((resid    46 and name     HB#))   ((resid    48 and name     HG1) or 
                                           (resid    48 and name     HG2))      3.772 3.772 0.943 ! 3.56237 C-1900-2445 

assign ((resid    46 and name     HB#))   ((resid    48 and name      HN))      4.092 4.092 1.023 ! 3.776 A-0185-0221 

!*****assign ((resid    47 and name     HA1))   ((resid    47 and name     HA2))       1.658 0.414 0.414  ! 1.764 C-0920-1172 

assign ((resid    47 and name     HA*))   ((resid    47 and name      HN))      2.809 2.809 0.702 ! 2.741 A-0136-0161 

!*****assign ((resid    47 and name     HA2))   ((resid    47 and name     HA1))       1.656 0.414 0.414  ! 1.764 C-0903-1171 

assign ((resid    47 and name     HA*))   ((resid    47 and name      HN))      2.358 2.358 0.590 ! 2.187 A-0134-0162 

assign ((resid    47 and name     HA*))   ((resid    48 and name      HN))      3.774 3.774 0.944 ! 3.432 A-0173-0217 

assign ((resid    47 and name     HA*))   ((resid    48 and name      HA))      4.937 4.937 1.234 ! 4.495 C-0921-1175 

assign ((resid    47 and name     HA*))   ((resid    48 and name      HN))      3.736 3.736 0.934 ! 3.054 A-0172-0218 

!assign ((resid    48 and name      HA))   ((resid    48 and name     HB1) or 
!                                           (resid    48 and name     HB2))      2.510 2.510 0.627 ! 2.33631 C-2257-2822 

assign ((resid    48 and name      HA))   ((resid    48 and name     HD1) or 
                                           (resid    48 and name     HD2))      3.904 3.904 0.976 ! 3.99254 C-0426-0493 

assign ((resid    48 and name      HA))   ((resid    48 and name     HG1) or 
                                           (resid    48 and name     HG2))      2.691 2.691 0.673 ! 2.52579 C-0935-1182 

assign ((resid    48 and name      HA))   ((resid    48 and name      HN))      2.908 0.727 0.727 ! 2.961 A-0186-0215 

assign ((resid    48 and name     HB1) or 
        (resid    48 and name     HB2))   ((resid    48 and name     HE1) or 
                                           (resid    48 and name     HE2))      3.717 3.717 0.929 ! 2.71809 C-1192-1668 

!assign ((resid    48 and name     HB1) or 
!        (resid    48 and name     HB2))   ((resid    48 and name     HG1) or 
!                                           (resid    48 and name     HG2))      2.087 2.087 0.522 ! 2.11349 C-0937-1181 

assign ((resid    48 and name     HB1) or 
        (resid    48 and name     HB2))   ((resid    48 and name      HN))      2.501 2.501 0.625 ! 2.49712 A-0170-0216 

assign ((resid    48 and name     HD1) or 
        (resid    48 and name     HD2))   ((resid    48 and name      HA))      3.486 3.486 0.872 ! 3.99254 C-2331-2955 

assign ((resid    48 and name     HD1) or 
        (resid    48 and name     HD2))   ((resid    48 and name     HB1) or 
                                           (resid    48 and name     HB2))      2.888 2.888 0.722 ! 2.01015 C-2255-2819 

!assign ((resid    48 and name     HD1) or 
!        (resid    48 and name     HD2))   ((resid    48 and name     HE1) or 
!                                           (resid    48 and name     HE2))      2.627 2.627 0.657 ! 2.01806 C-1199-1664 

!assign ((resid    48 and name     HE1) or 
!        (resid    48 and name     HE2))   ((resid    48 and name     HD1) or 
!                                           (resid    48 and name     HD2))      2.733 2.733 0.683 ! 2.01806 C-0425-0489 

assign ((resid    48 and name     HG1) or 
        (resid    48 and name     HG2))   ((resid    48 and name      HA))      2.531 2.531 0.633 ! 2.52579 C-2332-2956 

!assign ((resid    48 and name     HG1) or 
!        (resid    48 and name     HG2))   ((resid    48 and name     HB1) or 
!                                           (resid    48 and name     HB2))      2.205 2.205 0.551 ! 2.11349 C-2254-2820 

assign ((resid    48 and name     HG1) or 
        (resid    48 and name     HG2))   ((resid    48 and name      HN))      3.099 3.099 0.775 ! 2.79757 A-0169-0219 

!*****assign ((resid    48 and name      HA))   ((resid    49 and name      HN))       1.894 0.473 0.473  ! 2.337 A-0143-0175 

assign ((resid    48 and name     HB1) or 
        (resid    48 and name     HB2))   ((resid    49 and name      HN))      3.265 3.265 0.816 ! 2.92424 A-0140-0176 

assign ((resid    48 and name     HG1) or 
        (resid    48 and name     HG2))   ((resid    49 and name      HN))      3.888 3.888 0.972 ! 4.23055 A-0139-0178 

assign ((resid    48 and name     HB1) or 
        (resid    48 and name     HB2))   ((resid    50 and name     HD*))      3.294 3.294 0.824 ! 2.70624 C-2256-2821 

assign ((resid    48 and name     HD1) or 
        (resid    48 and name     HD2))   ((resid    50 and name     HD*))      4.773 4.773 1.193 ! 3.65018 C-0400-0490 

assign ((resid    48 and name     HD1) or 
        (resid    48 and name     HD2))   ((resid    50 and name     HD*))      4.141 4.141 1.035 ! 3.65018 C-1544-1951 

assign ((resid    48 and name     HE1) or 
        (resid    48 and name     HE2))   ((resid    50 and name     HD*))      4.823 4.823 1.206 ! 4.00161 C-1197-1665 

assign ((resid    48 and name     HG1) or 
        (resid    48 and name     HG2))   ((resid    50 and name     HD*))      4.845 4.845 1.211 ! 6.65096 C-0936-1177 

assign ((resid    48 and name     HG1) or 
        (resid    48 and name     HG2))   ((resid    50 and name     HD*))      3.832 3.832 0.958 ! 4.54425 C-0923-1178 

assign ((resid    48 and name     HB1) or 
        (resid    48 and name     HB2))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.979 4.979 1.245 ! 3.55016 C-2472-10019 

assign ((resid    48 and name     HD1) or 
        (resid    48 and name     HD2))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.346 4.346 1.087 ! 2.39419 C-0429-0488 

assign ((resid    48 and name     HD1) or 
        (resid    48 and name     HD2))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.191 4.191 1.048 ! 2.39419 C-2469-10004 

assign ((resid    48 and name     HD1) or 
        (resid    48 and name     HD2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.105 4.105 1.026 ! 2.61346 C-0428-0492 

assign ((resid    48 and name     HD1) or 
        (resid    48 and name     HD2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      3.794 3.794 0.949 ! 2.61346 C-2545-10082 

assign ((resid    48 and name     HE1) or 
        (resid    48 and name     HE2))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.868 4.868 1.217 ! 2.73968 C-1200-1663 

assign ((resid    48 and name     HG1) or 
        (resid    48 and name     HG2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.431 4.431 1.108 ! 4.50058 C-2550-10086 

!assign ((resid    49 and name      HA))   ((resid    49 and name     HB1) or 
!                                           (resid    49 and name     HB2))      2.421 2.421 0.605 ! 2.38237 C-0420-0501 

assign ((resid    49 and name      HA))   ((resid    49 and name     HG1) or 
                                           (resid    49 and name     HG2))      2.640 2.640 0.660 ! 2.3026 C-2252-2805 

!assign ((resid    49 and name     HB1) or 
!        (resid    49 and name     HB2))   ((resid    49 and name      HA))      2.210 2.210 0.552 ! 2.38237 C-2074-2732 

!assign ((resid    49 and name     HB1) or 
!        (resid    49 and name     HB2))   ((resid    49 and name     HG1) or 
!                                           (resid    49 and name     HG2))      1.543 1.543 0.386 ! 2.16144 C-2247-2797 

assign ((resid    49 and name     HB1) or 
        (resid    49 and name     HB2))   ((resid    49 and name      HN))      2.237 2.237 0.559 ! 2.35239 A-0142-0177 

assign ((resid    49 and name     HG1) or 
        (resid    49 and name     HG2))   ((resid    49 and name      HA))      2.556 2.556 0.639 ! 2.3026 C-2076-2739 

!assign ((resid    49 and name     HG1) or 
!        (resid    49 and name     HG2))   ((resid    49 and name     HB1) or 
!                                           (resid    49 and name     HB2))      1.612 1.612 0.403 ! 2.16144 C-0422-0502 

assign ((resid    49 and name     HG1) or 
        (resid    49 and name     HG2))   ((resid    49 and name      HN))      3.202 3.202 0.800 ! 4.03165 A-0141-0174 

assign ((resid    49 and name      HA))   ((resid    50 and name      HA))      4.571 1.143 1.143 ! 4.453 C-2068-2741 

assign ((resid    49 and name      HA))   ((resid    50 and name     HD*))      4.423 4.423 1.106 ! 5.168 C-0771-0969 

assign ((resid    49 and name      HA))   ((resid    50 and name     HD*))      4.055 4.055 1.014 ! 3.854 C-1552-1972 

assign ((resid    49 and name      HA))   ((resid    50 and name     HD*))      3.994 3.994 0.999 ! 3.854 C-2071-2736 

assign ((resid    49 and name      HA))   ((resid    50 and name      HG))      4.611 1.153 1.153 ! 3.705 C-0796-0996 

assign ((resid    49 and name      HA))   ((resid    50 and name      HG))      4.522 1.131 1.131 ! 3.705 C-2077-2735 

assign ((resid    49 and name      HA))   ((resid    50 and name      HN))      2.052 0.513 0.513 ! 2.258 A-0018-0009 

assign ((resid    49 and name     HB1) or 
        (resid    49 and name     HB2))   ((resid    50 and name      HN))      3.543 3.543 0.886 ! 3.72521 A-0011-0012 

assign ((resid    49 and name     HG1) or 
        (resid    49 and name     HG2))   ((resid    50 and name      HN))      3.192 3.192 0.798 ! 2.67843 A-0014-0010 

!assign ((resid    50 and name      HA))   ((resid    50 and name     HB1))      2.752 0.688 0.688 ! 2.398 C-1381-1806 

!assign ((resid    50 and name      HA))   ((resid    50 and name     HB2))      3.166 0.791 0.791 ! 3.017 C-1362-1805 

assign ((resid    50 and name      HA))   ((resid    50 and name     HD*))      3.316 3.316 0.829 ! 3.846 C-0763-0971 

assign ((resid    50 and name      HA))   ((resid    50 and name     HD*))      2.079 2.079 0.520 ! 2.24 C-1551-1973 

assign ((resid    50 and name      HA))   ((resid    50 and name      HG))      3.975 0.994 0.994 ! 3.39 C-0797-0997 

assign ((resid    50 and name      HA))   ((resid    50 and name      HN))      3.334 0.834 0.834 ! 2.927 A-0020-0011 

!assign ((resid    50 and name     HB1))   ((resid    50 and name      HA))      2.612 0.653 0.653 ! 2.398 C-2387-3054 

!*****assign ((resid    50 and name     HB1))   ((resid    50 and name     HB2))       1.929 0.482 0.482  ! 1.763 C-1365-1796 

assign ((resid    50 and name     HB1))   ((resid    50 and name     HD*))      2.478 2.478 0.620 ! 2.288 C-0777-0958 

assign ((resid    50 and name     HB1))   ((resid    50 and name     HD*))      2.750 2.750 0.688 ! 2.386 C-1560-1963 

!assign ((resid    50 and name     HB1))   ((resid    50 and name      HG))      3.212 0.803 0.803 ! 3.012 C-0743-0991 

assign ((resid    50 and name     HB1))   ((resid    50 and name      HN))      3.662 0.915 0.915 ! 3.601 A-0017-0016 

!assign ((resid    50 and name     HB2))   ((resid    50 and name      HA))      3.090 0.772 0.772 ! 3.017 C-2385-3053 

!*****assign ((resid    50 and name     HB2))   ((resid    50 and name     HB1))       1.966 0.491 0.491  ! 1.763 C-1375-1797 

assign ((resid    50 and name     HB2))   ((resid    50 and name     HD*))      2.314 2.314 0.579 ! 2.42 C-0775-0957 

assign ((resid    50 and name     HB2))   ((resid    50 and name     HD*))      3.025 3.025 0.756 ! 3.196 C-1561-1962 

!assign ((resid    50 and name     HB2))   ((resid    50 and name      HG))      2.740 0.685 0.685 ! 2.4 C-0744-0990 

assign ((resid    50 and name     HB2))   ((resid    50 and name      HN))      2.889 0.722 0.722 ! 2.531 A-0019-0015 

assign ((resid    50 and name     HD*))   ((resid    50 and name      HA))      3.847 3.847 0.962 ! 3.846 C-2381-3051 

assign ((resid    50 and name     HD*))   ((resid    50 and name     HB1))      2.740 2.740 0.685 ! 2.288 C-1380-1792 

assign ((resid    50 and name     HD*))   ((resid    50 and name     HB2))      2.664 2.664 0.666 ! 2.42 C-1372-1791 

!********assign ((resid    50 and name    HD*))   ((resid    50 and name    HD*))       2.068 2.068 0.517  ! 1.992 C-1547-1956 

!*****assign ((resid    50 and name    HD*))   ((resid    50 and name      HG))       1.779 1.779 0.445  ! 2.15 C-0742-0988 

assign ((resid    50 and name     HD*))   ((resid    50 and name      HN))      3.625 3.625 0.906 ! 3.772 A-0013-0013 

assign ((resid    50 and name     HD*))   ((resid    50 and name      HA))      2.038 2.038 0.509 ! 2.24 C-2383-3055 

assign ((resid    50 and name     HD*))   ((resid    50 and name     HB1))      2.805 2.805 0.701 ! 2.386 C-1379-1799 

assign ((resid    50 and name     HD*))   ((resid    50 and name     HB2))      2.984 2.984 0.746 ! 3.196 C-1370-1798 

!*******assign ((resid    50 and name    HD*))   ((resid    50 and name    HD*))       1.889 1.889 0.472  ! 1.992 C-0766-0959 

!*****assign ((resid    50 and name    HD*))   ((resid    50 and name      HG))       2.414 2.414 0.604  ! 2.091 C-0795-0992 

assign ((resid    50 and name     HD*))   ((resid    50 and name      HN))      3.332 3.332 0.833 ! 3.086 A-0016-0017 

assign ((resid    50 and name      HG))   ((resid    50 and name      HA))      3.584 0.896 0.896 ! 3.39 C-2384-3052 

!assign ((resid    50 and name      HG))   ((resid    50 and name     HB1))      3.187 0.797 0.797 ! 3.012 C-1378-1794 

!assign ((resid    50 and name      HG))   ((resid    50 and name     HB2))      2.732 0.683 0.683 ! 2.4 C-1371-1793 

!*****assign ((resid    50 and name      HG))   ((resid    50 and name    HD*))       1.896 1.896 0.474  ! 2.15 C-0764-0954 

!*****assign ((resid    50 and name      HG))   ((resid    50 and name    HD*))       2.488 2.488 0.622  ! 2.091 C-1545-1957 

assign ((resid    50 and name      HG))   ((resid    50 and name      HN))      2.685 0.671 0.671 ! 2.276 A-0012-0014 

assign ((resid    50 and name      HA))   ((resid    51 and name      HA))      4.757 1.189 1.189 ! 4.314 C-2057-2631 

assign ((resid    50 and name      HA))   ((resid    51 and name     HG1) or 
                                           (resid    51 and name     HG2))      4.522 4.522 1.131 ! 5.72957 C-2009-2586 

assign ((resid    50 and name      HA))   ((resid    51 and name     HG1) or 
                                           (resid    51 and name     HG2))      4.155 4.155 1.039 ! 5.72957 C-2389-3057 

assign ((resid    50 and name      HA))   ((resid    51 and name      HN))      2.274 0.569 0.569 ! 2.152 A-0126-0153 

assign ((resid    50 and name     HB1))   ((resid    51 and name      HN))      3.564 0.891 0.891 ! 3.11 A-0129-0157 

assign ((resid    50 and name     HD*))   ((resid    51 and name      HN))      3.637 3.637 0.909 ! 3.699 A-0125-0158 

assign ((resid    50 and name     HD*))   ((resid    56 and name      HA))      4.461 4.461 1.115 ! 4.336 C-1828-2390 

!********assign ((resid    50 and name    HD*))   ((resid    56 and name    HD*))       4.560 4.560 1.140  ! 4.55 C-1057-1384 

assign ((resid    50 and name     HD*))   ((resid    56 and name     HD*))      4.255 4.255 1.064 ! 4.55 C-1491-1959 

assign ((resid    50 and name      HA))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      3.430 3.430 0.858 ! 3.29209 C-2386-3058 

assign ((resid    50 and name      HA))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      3.301 3.301 0.825 ! 3.29209 C-2539-10100 

assign ((resid    50 and name     HB1))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.888 4.888 1.222 ! 4.21324 C-2473-10009 

assign ((resid    50 and name     HB1))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      3.710 3.710 0.927 ! 3.3342 C-1376-1804 

assign ((resid    50 and name     HB1))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      3.383 3.383 0.846 ! 3.3342 C-2532-10089 

assign ((resid    50 and name     HB2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.231 4.231 1.058 ! 4.90172 C-1363-1803 

assign ((resid    50 and name     HB2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.312 4.312 1.078 ! 4.90172 C-2531-10088 

assign ((resid    50 and name     HD*))   ((resid    59 and name     HB1))      4.708 4.708 1.177 ! 4.523 C-1583-2066 

assign ((resid    50 and name     HD*))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.244 4.244 1.061 ! 3.76279 C-0776-0948 

assign ((resid    50 and name     HD*))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.208 4.208 1.052 ! 3.76279 C-2470-10007 

assign ((resid    50 and name     HD*))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.078 4.078 1.020 ! 4.15696 C-0782-0966 

assign ((resid    50 and name     HD*))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.315 4.315 1.079 ! 4.15696 C-2547-10085 

assign ((resid    50 and name     HD*))   ((resid    59 and name      HA))      4.984 4.984 1.246 ! 4.937 C-1492-1968 

assign ((resid    50 and name     HD*))   ((resid    59 and name      HA))      4.752 4.752 1.188 ! 4.937 C-1870-2424 

assign ((resid    50 and name     HD*))   ((resid    59 and name     HB1))      3.672 3.672 0.918 ! 3.323 C-1562-1964 

assign ((resid    50 and name     HD*))   ((resid    59 and name     HB1))      3.531 3.531 0.883 ! 3.323 C-1584-2068 

assign ((resid    50 and name     HD*))   ((resid    59 and name     HB2))      4.208 4.208 1.052 ! 3.687 C-1493-1965 

assign ((resid    50 and name     HD*))   ((resid    59 and name     HB2))      3.871 3.871 0.968 ! 3.687 C-1605-2069 

assign ((resid    50 and name     HD*))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      3.151 3.151 0.788 ! 2.95471 C-1558-1950 

assign ((resid    50 and name     HD*))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      3.115 3.115 0.779 ! 2.95471 C-2465-10010 

assign ((resid    50 and name     HD*))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      2.967 2.967 0.742 ! 2.92358 C-1555-1970 

assign ((resid    50 and name     HD*))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      2.877 2.877 0.719 ! 2.92358 C-2546-10090 

assign ((resid    50 and name     HB2))   ((resid    61 and name    HD1#))      4.860 4.860 1.215 ! 5.223 C-2148-2677 

assign ((resid    50 and name     HD*))   ((resid    61 and name    HD1#))      2.322 2.322 0.581 ! 2.263 C-0767-0967 

assign ((resid    50 and name     HD*))   ((resid    61 and name    HD1#))      2.412 2.412 0.603 ! 2.263 C-2155-2673 

assign ((resid    50 and name     HD*))   ((resid    61 and name    HD1#))      2.599 2.599 0.650 ! 2.825 C-1548-1971 

assign ((resid    50 and name     HD*))   ((resid    61 and name    HD1#))      2.665 2.665 0.666 ! 2.825 C-2145-2678 

assign ((resid    50 and name      HG))   ((resid    61 and name    HD1#))      4.271 4.271 1.068 ! 4.527 C-0746-0995 

assign ((resid    50 and name     HD*))   ((resid    67 and name      HA) or 
                                           (resid    71 and name      HA))      4.498 4.498 1.125 ! 4.52691 D-0347-0972 D-0348-0972 

assign ((resid    50 and name     HD*))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2))      3.957 3.957 0.989 ! 3.27393 C-0780-0956 

assign ((resid    50 and name     HD*))   ((resid    67 and name      HG))      4.013 4.013 1.003 ! 4.658 C-0384-0447 

assign ((resid    50 and name     HD*))   ((resid    67 and name      HG))      3.779 3.779 0.945 ! 4.658 C-0762-0949 

assign ((resid    50 and name     HD*))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.678 3.678 0.919 ! 3.69199 D-0452-1037 D-0451-1037 

assign ((resid    50 and name     HD*))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.339 3.339 0.835 ! 3.69199 D-0871-1958 D-0872-1958 D-0873-1958 D-0874-1958 

!assign ((resid    51 and name      HA))   ((resid    51 and name     HB1))      2.749 0.687 0.687 ! 3.004 C-0126-0178 

!assign ((resid    51 and name      HA))   ((resid    51 and name     HB2))      3.145 0.786 0.786 ! 2.391 C-0132-0179 

assign ((resid    51 and name      HA))   ((resid    51 and name     HG1) or 
                                           (resid    51 and name     HG2))      3.004 3.004 0.751 ! 2.60912 C-2006-2584 

assign ((resid    51 and name      HA))   ((resid    51 and name     HG1) or 
                                           (resid    51 and name     HG2))      3.096 3.096 0.774 ! 2.60912 C-2013-2585 

assign ((resid    51 and name      HA))   ((resid    51 and name      HN))      3.065 0.766 0.766 ! 2.975 A-0127-0152 

!assign ((resid    51 and name     HB1))   ((resid    51 and name      HA))      2.458 0.615 0.615 ! 3.004 C-2079-2627 

!*****assign ((resid    51 and name     HB1))   ((resid    51 and name     HB2))       1.732 0.433 0.433  ! 1.764 C-0131-0170 

!assign ((resid    51 and name     HB1))   ((resid    51 and name     HG1) or 
!                                           (resid    51 and name     HG2))      2.230 2.230 0.557 ! 2.18834 C-2007-2576 

!assign ((resid    51 and name     HB1) or 
!        (resid    62 and name     HB1))   ((resid    51 and name     HG1) or 
!                                           (resid    51 and name     HG2) or 
!                                           (resid    64 and name     HG1) or 
!                                           (resid    64 and name     HG2))      2.191 2.191 0.548 ! 2.18809 D-1032-2578 D-1031-2578 

assign ((resid    51 and name     HB1))   ((resid    51 and name      HN))      3.454 0.864 0.864 ! 2.324 A-0123-0154 

!assign ((resid    51 and name     HB2))   ((resid    51 and name      HA))      2.904 0.726 0.726 ! 2.391 C-2081-2628 

!assign ((resid    51 and name     HB2))   ((resid    51 and name     HG1) or 
!                                           (resid    51 and name     HG2))      2.718 2.718 0.679 ! 2.50836 C-2008-2577 

!assign ((resid    51 and name     HB2))   ((resid    51 and name     HG1) or 
!                                           (resid    51 and name     HG2))      2.674 2.674 0.668 ! 2.50836 C-2014-2579 

assign ((resid    51 and name     HB2))   ((resid    51 and name      HN))      2.821 0.705 0.705 ! 2.882 A-0124-0155 

assign ((resid    51 and name     HG1) or 
        (resid    51 and name     HG2))   ((resid    51 and name      HA))      2.564 2.564 0.641 ! 2.60912 C-2058-2630 

!assign ((resid    51 and name     HG1) or 
!        (resid    51 and name     HG2))   ((resid    51 and name     HB1))      2.094 2.094 0.523 ! 2.18834 C-0128-0176 

!assign ((resid    51 and name     HG1) or 
!        (resid    51 and name     HG2))   ((resid    51 and name     HB2))      2.292 2.292 0.573 ! 2.50836 C-0133-0177 

!*****assign ((resid    51 and name     HG1) or 
!*****        (resid    51 and name     HG2))   ((resid    51 and name     HG2) or 
!*****                                           (resid    51 and name     HG1))        1.354 1.354 0.339  ! 1.763 C-2005-2582 

assign ((resid    51 and name     HG1) or 
        (resid    51 and name     HG2))   ((resid    51 and name      HN))      3.355 3.355 0.839 ! 3.97569 A-0122-0151 

assign ((resid    51 and name      HA))   ((resid    52 and name      HN))      1.875 0.469 0.469 ! 2.232 A-0251-0303 

assign ((resid    51 and name     HB1))   ((resid    52 and name      HN))      3.145 0.786 0.786 ! 4.091 A-0248-0304 

assign ((resid    51 and name     HB2))   ((resid    52 and name      HN))      4.057 1.014 1.014 ! 4.067 A-0247-0305 

assign ((resid    51 and name     HG1) or 
        (resid    51 and name     HG2))   ((resid    52 and name      HN))      4.405 4.405 1.101 ! 2.45358 A-0245-0302 

assign ((resid    51 and name     HB1))   ((resid    53 and name     HA*))      4.970 4.970 1.242 ! 6.576 C-0125-0174 

assign ((resid    51 and name      HA))   ((resid    54 and name     HG1) or 
                                           (resid    54 and name     HG2))      4.838 4.838 1.210 ! 4.8998 C-2080-2629 

assign ((resid    51 and name     HB1))   ((resid    54 and name     HD1) or 
                                           (resid    54 and name     HD2))      4.241 4.241 1.060 ! 4.48411 C-0129-0175 

assign ((resid    51 and name     HB1))   ((resid    54 and name     HD1) or 
                                           (resid    54 and name     HD2))      4.547 4.547 1.137 ! 4.48411 C-1115-1496 

assign ((resid    51 and name     HB2))   ((resid    54 and name     HD1) or 
                                           (resid    54 and name     HD2))      4.033 4.033 1.008 ! 5.81909 C-1108-1495 

assign ((resid    51 and name     HB2))   ((resid    54 and name     HD1) or 
                                           (resid    54 and name     HD2))      4.013 4.013 1.003 ! 5.81909 C-1114-1497 

assign ((resid    51 and name     HB2))   ((resid    54 and name     HG1) or 
                                           (resid    54 and name     HG2))      3.453 3.453 0.863 ! 3.89073 C-0130-0173 

assign ((resid    51 and name     HB2))   ((resid    54 and name     HG1) or 
                                           (resid    54 and name     HG2))      3.280 3.280 0.820 ! 3.89073 C-0575-0695 

!**assign ((resid    51 and name     HG1) or 
!**        (resid    51 and name     HG2))   ((resid    54 and name     HB1))        4.091 4.091 1.023  ! 5.55329 C-0045-0071 

assign ((resid    51 and name     HG1) or 
        (resid    51 and name     HG2))   ((resid    54 and name     HG1) or 
                                           (resid    54 and name     HG2))      4.870 4.870 1.218 ! 2.76747 C-0608-0701 

assign ((resid    51 and name     HG1) or 
        (resid    51 and name     HG2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.691 4.691 1.173 ! 5.35137 C-2052-2583 

assign ((resid    51 and name     HG1) or 
        (resid    51 and name     HG2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.881 4.881 1.220 ! 5.35137 C-2537-10096 

assign ((resid    51 and name      HN))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      3.171 3.171 0.793 ! 2.93621 A-0128-0159 

assign ((resid    51 and name     HB1) or 
        (resid    62 and name     HB1))   ((resid    67 and name      HG) or 
                                           (resid    63 and name     HD1) or 
                                           (resid    63 and name     HD2))      4.967 4.967 1.242 ! 5.44943 D-0040-0158 D-0042-0158 D-0041-0158 

!assign ((resid    52 and name      HA))   ((resid    52 and name     HB1))      2.923 0.731 0.731 ! 2.613 C-1452-1904 

!assign ((resid    52 and name      HA))   ((resid    52 and name     HB2))      2.824 0.706 0.706 ! 3.036 C-1455-1905 

assign ((resid    52 and name      HA))   ((resid    52 and name      HN))      2.861 0.715 0.715 ! 2.774 A-0246-0309 

assign ((resid    52 and name     HB1))   ((resid    52 and name      HN))      3.186 0.796 0.796 ! 3.499 A-0252-0306 

assign ((resid    52 and name     HB2))   ((resid    52 and name      HN))      2.532 0.633 0.633 ! 2.262 A-0250-0307 

assign ((resid    52 and name      HA))   ((resid    54 and name      HN))      4.050 1.012 1.012 ! 4.094 A-0293-0349 

!*****assign ((resid    53 and name     HA*))   ((resid    53 and name     HA*))       2.000 2.000 0.500  ! 1.764 C-0928-1185 

assign ((resid    53 and name     HA*))   ((resid    54 and name      HA))      4.820 4.820 1.205 ! 4.464 C-0929-1189 

assign ((resid    53 and name     HA*))   ((resid    54 and name      HN))      3.917 3.917 0.979 ! 3.204 A-0292-0347 

assign ((resid    53 and name     HA*))   ((resid    54 and name      HN))      3.704 3.704 0.926 ! 3.396 A-0290-0348 

!assign ((resid    54 and name      HA))   ((resid    54 and name     HB1))      2.971 0.743 0.743 ! 2.419 C-0041-0075 

!assign ((resid    54 and name      HA))   ((resid    54 and name     HB2))      3.363 0.841 0.841 ! 3.018 C-0034-0074 

assign ((resid    54 and name      HA))   ((resid    54 and name     HD1) or 
                                           (resid    54 and name     HD2))      3.309 3.309 0.827 ! 2.2458 C-1110-1504 

assign ((resid    54 and name      HA))   ((resid    54 and name     HD1) or 
                                           (resid    54 and name     HD2))      3.339 3.339 0.835 ! 2.2458 C-1119-1505 

assign ((resid    54 and name      HA))   ((resid    54 and name     HG1) or 
                                           (resid    54 and name     HG2))      3.242 3.242 0.810 ! 2.96354 C-0577-0704 

assign ((resid    54 and name      HA))   ((resid    54 and name     HG1) or 
                                           (resid    54 and name     HG2))      2.909 2.909 0.727 ! 2.96354 C-0589-0705 

assign ((resid    54 and name      HA))   ((resid    54 and name      HN))      3.099 0.775 0.775 ! 2.918 A-0291-0341 

!assign ((resid    54 and name     HB1))   ((resid    54 and name      HA))      2.762 0.691 0.691 ! 2.419 C-2324-3023 

assign ((resid    54 and name     HB1))   ((resid    54 and name     HD1) or 
                                           (resid    54 and name     HD2))      3.612 3.612 0.903 ! 2.12029 C-1107-1492 

assign ((resid    54 and name     HB1))   ((resid    54 and name     HD1) or 
                                           (resid    54 and name     HD2))      3.816 3.816 0.954 ! 2.12029 C-1120-1494 

!assign ((resid    54 and name     HB1))   ((resid    54 and name     HG1) or 
!                                           (resid    54 and name     HG2))      2.547 2.547 0.637 ! 2.42133 C-0576-0694 

assign ((resid    54 and name     HB1))   ((resid    54 and name      HN))      3.469 0.867 0.867 ! 3.67 A-0289-0344 

!assign ((resid    54 and name     HB2))   ((resid    54 and name      HA))      3.238 0.809 0.809 ! 3.018 C-2327-3022 

assign ((resid    54 and name     HB2))   ((resid    54 and name     HD1) or 
                                           (resid    54 and name     HD2))      3.794 3.794 0.949 ! 3.27122 C-1109-1491 

assign ((resid    54 and name     HB2))   ((resid    54 and name     HD1) or 
                                           (resid    54 and name     HD2))      3.758 3.758 0.940 ! 3.27122 C-1116-1493 

!assign ((resid    54 and name     HB2))   ((resid    54 and name     HG1) or 
!                                           (resid    54 and name     HG2))      2.819 2.819 0.705 ! 2.20595 C-0579-0693 

assign ((resid    54 and name     HB2))   ((resid    54 and name      HN))      2.776 0.694 0.694 ! 2.571 A-0287-0343 

assign ((resid    54 and name     HD1) or 
        (resid    54 and name     HD2))   ((resid    54 and name      HA))      2.907 2.907 0.727 ! 2.2458 C-2330-3027 

assign ((resid    54 and name     HD1) or 
        (resid    54 and name     HD2))   ((resid    54 and name     HB1))      3.435 3.435 0.859 ! 2.12029 C-0043-0066 

assign ((resid    54 and name     HD1) or 
        (resid    54 and name     HD2))   ((resid    54 and name     HB2))      3.430 3.430 0.858 ! 3.27122 C-0036-0065 

!assign ((resid    54 and name     HD1) or 
!        (resid    54 and name     HD2))   ((resid    54 and name     HG1) or 
!                                           (resid    54 and name     HG2))      2.793 2.793 0.698 ! 2.10053 C-0581-0698 

!assign ((resid    54 and name     HD1) or 
!        (resid    54 and name     HD2))   ((resid    54 and name     HG1) or 
!                                           (resid    54 and name     HG2))        2.965 2.965 0.741  ! 2.10053 C-0609-0699 

assign ((resid    54 and name     HG1) or 
        (resid    54 and name     HG2))   ((resid    54 and name      HA))      3.169 3.169 0.792 ! 2.96354 C-2328-3024 

assign ((resid    54 and name     HG1) or 
        (resid    54 and name     HG2))   ((resid    54 and name      HA))      2.761 2.761 0.690 ! 2.96354 C-2326-3025 

!assign ((resid    54 and name     HG1) or 
!        (resid    54 and name     HG2))   ((resid    54 and name     HB1))      2.539 2.539 0.635 ! 2.42133 C-0040-0064 

!assign ((resid    54 and name     HG1) or 
!        (resid    54 and name     HG2))   ((resid    54 and name     HB2))      2.569 2.569 0.642 ! 2.20595 C-0033-0063 

!assign ((resid    54 and name     HG1) or 
!        (resid    54 and name     HG2))   ((resid    54 and name     HD1) or 
!                                           (resid    54 and name     HD2))        3.219 3.219 0.805  ! 2.10053 C-1111-1498 

!assign ((resid    54 and name     HG1) or 
!        (resid    54 and name     HG2))   ((resid    54 and name     HD1) or 
!                                           (resid    54 and name     HD2))        3.075 3.075 0.769  ! 2.10053 C-1117-1499 

!assign ((resid    54 and name     HG1) or 
!        (resid    54 and name     HG2))   ((resid    54 and name     HD1) or 
!                                           (resid    54 and name     HD2))        3.137 3.137 0.784  ! 2.10053 C-1118-1500 

!*****assign ((resid    54 and name     HG1) or 
!*****        (resid    54 and name     HG2))   ((resid    54 and name     HG2) or 
!*****                                           (resid    54 and name     HG1))        1.782 1.782 0.446  ! 1.763 C-0578-0696 

!*****assign ((resid    54 and name     HG1) or 
!*****        (resid    54 and name     HG2))   ((resid    54 and name     HG2) or 
!*****                                           (resid    54 and name     HG1))        1.744 1.744 0.436  ! 1.763 C-0588-0697 

assign ((resid    54 and name     HG1) or 
        (resid    54 and name     HG2))   ((resid    54 and name      HN))      3.391 3.391 0.848 ! 2.35511 A-0288-0346 

assign ((resid    54 and name      HA))   ((resid    55 and name      HA))      4.723 1.181 1.181 ! 4.48 C-2329-3030 

!assign ((resid    54 and name      HA))   ((resid    55 and name      HB))       4.182 1.046 1.046  ! 5.814 C-0180-0234 

assign ((resid    54 and name      HA))   ((resid    55 and name    HG2#))      3.426 3.426 0.857 ! 3.642 C-1143-1477 

assign ((resid    54 and name      HA))   ((resid    55 and name    HG2#))      3.430 3.430 0.858 ! 3.642 C-2325-3026 

assign ((resid    54 and name      HA))   ((resid    55 and name      HN))      2.411 0.603 0.603 ! 2.401 A-0492-0582 

assign ((resid    54 and name     HB1))   ((resid    55 and name      HN))      2.755 0.689 0.689 ! 2.404 A-0488-0584 

assign ((resid    54 and name     HB2))   ((resid    55 and name      HN))      3.557 0.889 0.889 ! 3.457 A-0489-0583 

assign ((resid    54 and name      HA))   ((resid    58 and name     HB1))      4.835 1.209 1.209 ! 5.009 C-1503-2044 

assign ((resid    54 and name      HA))   ((resid    58 and name     HB2))      4.515 1.129 1.129 ! 4.32 C-1595-2043 

assign ((resid    54 and name      HA))   ((resid    58 and name     HB2))      4.676 1.169 1.169 ! 4.32 C-2373-3029 

assign ((resid    54 and name     HB1))   ((resid    58 and name     HB1))      4.202 1.050 1.050 ! 3.199 C-0016-0070 

assign ((resid    54 and name     HB1))   ((resid    58 and name     HB1))      3.476 0.869 0.869 ! 3.199 C-1614-2032 

assign ((resid    54 and name     HB1))   ((resid    58 and name     HB2))      3.635 0.909 0.909 ! 2.443 C-0044-0069 

assign ((resid    54 and name     HB1))   ((resid    58 and name     HB2))      3.225 0.806 0.806 ! 2.443 C-1598-2030 

assign ((resid    54 and name     HB2))   ((resid    58 and name     HB1))      4.119 1.030 1.030 ! 4.732 C-0035-0068 

assign ((resid    54 and name     HB2))   ((resid    58 and name     HB1))      4.477 1.119 1.119 ! 4.732 C-1613-2031 

assign ((resid    54 and name     HB2))   ((resid    58 and name     HB2))      3.758 0.940 0.940 ! 3.824 C-0038-0067 

assign ((resid    54 and name     HB2))   ((resid    58 and name     HB2))      4.004 1.001 1.001 ! 3.824 C-1596-2029 

assign ((resid    54 and name     HD1) or 
        (resid    54 and name     HD2))   ((resid    58 and name     HB1))      4.531 4.531 1.133 ! 3.27276 C-1106-1501 

assign ((resid    54 and name     HD1) or 
        (resid    54 and name     HD2))   ((resid    58 and name     HB1))      4.249 4.249 1.062 ! 3.27276 C-1113-1502 

assign ((resid    54 and name     HD1) or 
        (resid    54 and name     HD2))   ((resid    58 and name     HB1))      3.824 3.824 0.956 ! 3.27276 C-1616-2036 

assign ((resid    54 and name     HG1) or 
        (resid    54 and name     HG2))   ((resid    58 and name     HB2))      4.157 4.157 1.039 ! 4.24932 C-1594-2035 

assign ((resid    54 and name      HA))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.547 4.547 1.137 ! 4.87399 C-2548-10099 

assign ((resid    54 and name     HB1) or 
        (resid    63 and name     HB2))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.590 4.590 1.147 ! 4.0059 D-0017-0049 D-0016-0049 

assign ((resid    54 and name     HB1))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      2.864 2.864 0.716 ! 2.96732 C-0042-0073 

assign ((resid    54 and name     HB1))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      2.958 2.958 0.740 ! 2.96732 C-2540-10079 

assign ((resid    54 and name     HB2))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.881 4.881 1.220 ! 3.92138 C-0012-0062 

assign ((resid    54 and name     HB2))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.416 4.416 1.104 ! 3.92138 C-2463-10002 

assign ((resid    54 and name     HB2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      2.720 2.720 0.680 ! 2.01433 C-0037-0072 

assign ((resid    54 and name     HB2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      2.551 2.551 0.638 ! 2.01433 C-2542-10078 

assign ((resid    54 and name     HD1) or 
        (resid    54 and name     HD2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.195 4.195 1.049 ! 4.33801 C-1112-1503 

assign ((resid    54 and name     HD1) or 
        (resid    54 and name     HD2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      3.635 3.635 0.909 ! 4.33801 C-2533-10087 

assign ((resid    54 and name     HG1) or 
        (resid    54 and name     HG2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      3.641 3.641 0.910 ! 3.08801 C-0580-0702 

assign ((resid    54 and name     HG1) or 
        (resid    54 and name     HG2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.180 4.180 1.045 ! 3.08801 C-0594-0703 

assign ((resid    54 and name     HG1) or 
        (resid    54 and name     HG2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.113 4.113 1.028 ! 3.08801 C-2549-10084 

!assign ((resid    55 and name      HA))   ((resid    55 and name      HB))      2.117 0.529 0.529 ! 2.521 C-0176-0231 

assign ((resid    55 and name      HA))   ((resid    55 and name    HG2#))      2.220 2.220 0.555 ! 2.582 C-1140-1473 

assign ((resid    55 and name      HA))   ((resid    55 and name      HN))      3.383 0.846 0.846 ! 2.956 A-0490-0590 

!assign ((resid    55 and name      HB))   ((resid    55 and name      HA))      2.133 0.533 0.533 ! 2.521 C-1656-2140 

!*****assign ((resid    55 and name      HB))   ((resid    55 and name    HG2#))       1.934 0.483 0.483  ! 2.078 C-1142-1469 

assign ((resid    55 and name      HB))   ((resid    55 and name      HN))      4.234 1.058 1.058 ! 3.727 A-0486-0585 

assign ((resid    55 and name    HG2#))   ((resid    55 and name      HA))      2.200 2.200 0.550 ! 2.582 C-1658-2145 

!*****assign ((resid    55 and name    HG2#))   ((resid    55 and name      HB))       1.875 0.469 0.469  ! 2.078 C-0177-0227 

assign ((resid    55 and name    HG2#))   ((resid    55 and name      HN))      2.592 2.592 0.648 ! 2.694 A-0487-0587 

assign ((resid    55 and name      HA))   ((resid    56 and name      HN))      2.348 0.587 0.587 ! 2.419 A-0334-0412 

assign ((resid    55 and name      HB))   ((resid    56 and name     HB2))      4.474 1.119 1.119 ! 4.207 C-0181-0230 

assign ((resid    55 and name      HB))   ((resid    56 and name      HN))      2.449 0.612 0.612 ! 2.528 A-0337-0404 

assign ((resid    55 and name    HG2#))   ((resid    56 and name      HN))      3.502 3.502 0.875 ! 3.83 A-0338-0409 

assign ((resid    55 and name      HA))   ((resid    57 and name      HN))      4.345 1.086 1.086 ! 4.247 A-0448-0538 

assign ((resid    55 and name      HB))   ((resid    57 and name     HB*))      4.043 4.043 1.011 ! 4.516 C-0174-0229 

assign ((resid    55 and name      HB))   ((resid    57 and name     HB*))      4.858 4.858 1.214 ! 4.516 C-1271-1718 

assign ((resid    55 and name      HB))   ((resid    57 and name      HN))      2.913 0.728 0.728 ! 2.696 A-0444-0531 

assign ((resid    55 and name    HG2#))   ((resid    57 and name     HB*))      4.918 4.918 1.230 ! 5.744 C-1268-1721 

assign ((resid    55 and name    HG2#))   ((resid    57 and name      HN))      3.990 3.990 0.998 ! 4.168 A-0442-0534 

assign ((resid    55 and name      HN))   ((resid    58 and name     HB1))      3.866 0.967 0.967 ! 4.101 A-0491-0589 

assign ((resid    55 and name      HN))   ((resid    58 and name     HB2))      3.043 0.761 0.761 ! 2.817 A-0493-0588 

!assign ((resid    56 and name      HA))   ((resid    56 and name     HB1))      2.634 0.658 0.658 ! 2.461 C-1521-1996 

!assign ((resid    56 and name      HA))   ((resid    56 and name     HB2))      2.821 0.705 0.705 ! 3.024 C-1512-1995 

assign ((resid    56 and name      HA))   ((resid    56 and name     HD*))      3.276 3.276 0.819 ! 3.914 C-0637-0835 

assign ((resid    56 and name      HA))   ((resid    56 and name     HD*))      2.182 2.182 0.545 ! 2.2 C-1054-1390 

assign ((resid    56 and name      HA))   ((resid    56 and name      HG))      3.717 0.929 0.929 ! 3.267 C-0618-0817 

assign ((resid    56 and name      HA))   ((resid    56 and name      HN))      3.151 0.788 0.788 ! 2.843 A-0340-0414 

!assign ((resid    56 and name     HB1))   ((resid    56 and name      HA))      2.451 0.613 0.613 ! 2.461 C-1834-2394 

!*****assign ((resid    56 and name     HB1))   ((resid    56 and name     HB2))       1.842 0.461 0.461  ! 1.764 C-1505-1989 

assign ((resid    56 and name     HB1))   ((resid    56 and name     HD*))      2.569 2.569 0.642 ! 2.263 C-0642-0831 

assign ((resid    56 and name     HB1))   ((resid    56 and name     HD*))      2.694 2.694 0.673 ! 2.324 C-1062-1386 

!assign ((resid    56 and name     HB1))   ((resid    56 and name      HG))      3.339 0.835 0.835 ! 3.008 C-0625-0813 

assign ((resid    56 and name     HB1))   ((resid    56 and name      HN))      3.450 0.863 0.863 ! 3.554 A-0342-0411 

!assign ((resid    56 and name     HB2))   ((resid    56 and name      HA))      2.767 0.692 0.692 ! 3.024 C-1837-2393 

!*****assign ((resid    56 and name     HB2))   ((resid    56 and name     HB1))       1.863 0.466 0.466  ! 1.764 C-1517-1990 

assign ((resid    56 and name     HB2))   ((resid    56 and name     HD*))      2.454 2.454 0.614 ! 2.419 C-0641-0830 

assign ((resid    56 and name     HB2))   ((resid    56 and name     HD*))      3.181 3.181 0.795 ! 3.191 C-1051-1385 

!assign ((resid    56 and name     HB2))   ((resid    56 and name      HG))      2.995 0.749 0.749 ! 2.432 C-0624-0812 

assign ((resid    56 and name     HB2))   ((resid    56 and name      HN))      2.792 0.698 0.698 ! 2.458 A-0343-0410 

assign ((resid    56 and name     HD*))   ((resid    56 and name      HA))      3.913 3.913 0.978 ! 3.914 C-1823-2389 

assign ((resid    56 and name     HD*))   ((resid    56 and name     HB1))      2.768 2.768 0.692 ! 2.263 C-1519-1982 

assign ((resid    56 and name     HD*))   ((resid    56 and name     HB2))      2.664 2.664 0.666 ! 2.419 C-1507-1981 

!*****assign ((resid    56 and name    HD*))   ((resid    56 and name    HD*))       2.191 2.191 0.548  ! 1.976 C-1052-1378 

!*****assign ((resid    56 and name    HD*))   ((resid    56 and name      HG))       1.726 1.726 0.431  ! 2.141 C-0619-0805 

assign ((resid    56 and name     HD*))   ((resid    56 and name      HA))      2.083 2.083 0.521 ! 2.2 C-1826-2392 

assign ((resid    56 and name     HD*))   ((resid    56 and name     HB1))      2.712 2.712 0.678 ! 2.324 C-1523-1987 

assign ((resid    56 and name     HD*))   ((resid    56 and name     HB2))      3.023 3.023 0.756 ! 3.191 C-1511-1986 

!*****assign ((resid    56 and name    HD*))   ((resid    56 and name    HD*))       2.012 2.012 0.503  ! 1.976 C-0639-0826 

!*****assign ((resid    56 and name    HD*))   ((resid    56 and name      HG))       2.639 2.639 0.660  ! 2.183 C-0621-0808 

assign ((resid    56 and name     HD*))   ((resid    56 and name      HN))      3.489 3.489 0.872 ! 3.309 A-0339-0408 

assign ((resid    56 and name      HG))   ((resid    56 and name      HA))      3.491 0.873 0.873 ! 3.267 C-1824-2388 

!assign ((resid    56 and name      HG))   ((resid    56 and name     HB1))      3.371 0.843 0.843 ! 3.008 C-1524-1980 

!assign ((resid    56 and name      HG))   ((resid    56 and name     HB2))      3.093 0.773 0.773 ! 2.432 C-1510-1979 

!*****assign ((resid    56 and name      HG))   ((resid    56 and name    HD*))       1.759 1.759 0.440  ! 2.141 C-0638-0824 

!*****assign ((resid    56 and name      HG))   ((resid    56 and name    HD*))       2.666 2.666 0.666  ! 2.183 C-1050-1377 

assign ((resid    56 and name      HG))   ((resid    56 and name      HN))      2.691 0.673 0.673 ! 2.24 A-0335-0406 

assign ((resid    56 and name      HA))   ((resid    57 and name      HN))      3.941 0.985 0.985 ! 3.583 A-0447-0539 

assign ((resid    56 and name     HB1))   ((resid    57 and name      HN))      3.653 0.913 0.913 ! 3.849 A-0449-0537 

assign ((resid    56 and name     HB2))   ((resid    57 and name      HN))      2.884 0.721 0.721 ! 2.771 A-0450-0536 

assign ((resid    56 and name      HA))   ((resid    58 and name      HN))      4.416 1.104 1.104 ! 4.087 A-0063-0075 

assign ((resid    56 and name      HA))   ((resid    59 and name     HB1))      4.237 1.059 1.059 ! 5.077 C-1585-2073 

assign ((resid    56 and name      HA))   ((resid    59 and name     HB2))      3.871 0.968 0.968 ! 3.366 C-1604-2074 

assign ((resid    56 and name      HA))   ((resid    59 and name     HB2))      3.913 0.978 0.978 ! 3.366 C-1835-2395 

assign ((resid    56 and name      HA))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      3.312 3.312 0.828 ! 2.87798 C-1833-2385 

assign ((resid    56 and name      HA))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      3.371 3.371 0.843 ! 2.87798 C-2468-10015 

assign ((resid    56 and name      HA))   ((resid    59 and name      HN))      3.888 0.972 0.972 ! 3.616 A-0375-0458 

assign ((resid    56 and name     HD*))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.472 4.472 1.118 ! 3.91784 C-1064-1372 

assign ((resid    56 and name     HD*))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.503 4.503 1.126 ! 3.91784 C-2471-10008 

assign ((resid    56 and name      HA))   ((resid    61 and name      HB))      3.273 0.818 0.818 ! 3.503 C-1832-2397 

assign ((resid    56 and name      HA))   ((resid    61 and name      HB))      3.305 0.826 0.826 ! 3.503 C-1969-2513 

assign ((resid    56 and name      HA))   ((resid    61 and name    HD1#))      2.536 2.536 0.634 ! 2.386 C-1825-2399 

assign ((resid    56 and name      HA))   ((resid    61 and name    HD1#))      2.687 2.687 0.672 ! 2.386 C-2153-2685 

assign ((resid    56 and name      HA))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      4.371 4.371 1.093 ! 3.87507 C-0467-0544 

assign ((resid    56 and name      HA))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      4.194 4.194 1.048 ! 3.87507 C-1831-2386 

assign ((resid    56 and name      HA))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      4.990 4.990 1.248 ! 3.87507 C-1827-2387 

assign ((resid    56 and name      HA))   ((resid    61 and name    HG2#))      3.975 3.975 0.994 ! 4.313 C-1853-2379 

!assign ((resid    56 and name      HA))   ((resid    61 and name    HG2#))       2.868 0.717 0.717  ! 4.313 C-1829-2396 

assign ((resid    56 and name     HB1))   ((resid    61 and name      HB))      2.800 0.700 0.700 ! 2.345 C-1516-1998 

assign ((resid    56 and name     HB1))   ((resid    61 and name      HB))      2.691 0.673 0.673 ! 2.345 C-1963-2509 

assign ((resid    56 and name     HB1))   ((resid    61 and name    HD1#))      3.717 3.717 0.929 ! 2.831 C-1522-2000 

assign ((resid    56 and name     HB1))   ((resid    61 and name    HD1#))      3.737 3.737 0.934 ! 2.831 C-2160-2680 

assign ((resid    56 and name     HB1))   ((resid    61 and name    HG2#))      3.232 3.232 0.808 ! 3.014 C-1520-1994 

assign ((resid    56 and name     HB1))   ((resid    61 and name    HG2#))      3.184 3.184 0.796 ! 3.014 C-1859-2376 

assign ((resid    56 and name     HB1))   ((resid    61 and name      HN))      4.279 1.070 1.070 ! 4.066 A-0307-0381 

assign ((resid    56 and name     HB2))   ((resid    61 and name      HB))      3.379 0.845 0.845 ! 3.92 C-1504-1997 

assign ((resid    56 and name     HB2))   ((resid    61 and name      HB))      3.481 0.870 0.870 ! 3.92 C-1962-2508 

assign ((resid    56 and name     HB2))   ((resid    61 and name    HD1#))      4.416 4.416 1.104 ! 4.208 C-1509-1999 

assign ((resid    56 and name     HB2))   ((resid    61 and name    HD1#))      4.615 4.615 1.154 ! 4.208 C-2149-2679 

assign ((resid    56 and name     HB2))   ((resid    61 and name    HG2#))      3.930 3.930 0.983 ! 4.382 C-1515-1993 

assign ((resid    56 and name     HB2))   ((resid    61 and name    HG2#))      4.053 4.053 1.013 ! 4.382 C-1855-2375 

assign ((resid    56 and name     HD*))   ((resid    61 and name      HB))      4.083 4.083 1.021 ! 3.797 C-0643-0837 

assign ((resid    56 and name     HD*))   ((resid    61 and name      HB))      3.975 3.975 0.994 ! 3.797 C-1966-2504 

assign ((resid    56 and name     HD*))   ((resid    61 and name    HD1#))      3.744 3.744 0.936 ! 3.593 C-0636-0839 

assign ((resid    56 and name     HD*))   ((resid    61 and name    HD1#))      3.922 3.922 0.981 ! 3.593 C-2158-2672 

assign ((resid    56 and name     HD*))   ((resid    61 and name    HG2#))      3.033 3.033 0.758 ! 3.07 C-0667-0834 

assign ((resid    56 and name     HD*))   ((resid    61 and name    HG2#))      3.166 3.166 0.791 ! 3.07 C-1845-2367 

assign ((resid    56 and name     HD*))   ((resid    61 and name      HB))      3.166 3.166 0.791 ! 3.339 C-1061-1392 

assign ((resid    56 and name     HD*))   ((resid    61 and name      HB))      3.104 3.104 0.776 ! 3.339 C-1972-2506 

assign ((resid    56 and name     HD*))   ((resid    61 and name    HD1#))      2.236 2.236 0.559 ! 2.053 C-1053-1393 

assign ((resid    56 and name     HD*))   ((resid    61 and name    HD1#))      2.257 2.257 0.564 ! 2.053 C-2152-2675 

assign ((resid    56 and name     HD*))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      4.066 4.066 1.016 ! 3.86756 C-0472-0532 

assign ((resid    56 and name     HD*))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      4.528 4.528 1.132 ! 3.86756 C-0481-0533 

assign ((resid    56 and name     HD*))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      4.540 4.540 1.135 ! 3.86756 C-1058-1373 

!assign ((resid    56 and name    HD*))   ((resid    61 and name    HG11) or 
!                                           (resid    61 and name    HG12))        4.964 4.964 1.241  ! 3.86756 C-1080-1374 

assign ((resid    56 and name     HD*))   ((resid    61 and name    HG2#))      2.482 2.482 0.621 ! 2.661 C-1055-1389 

assign ((resid    56 and name     HD*))   ((resid    61 and name    HG2#))      2.397 2.397 0.599 ! 2.661 C-1846-2371 

assign ((resid    56 and name      HG))   ((resid    61 and name    HD1#))      4.806 4.806 1.202 ! 4.302 C-0622-0820 

assign ((resid    56 and name      HG))   ((resid    61 and name    HG2#))      4.336 4.336 1.084 ! 5.024 C-0657-0816 

assign ((resid    57 and name      HA))   ((resid    57 and name      HN))      2.755 0.689 0.689 ! 2.881 A-0445-0535 

assign ((resid    57 and name     HB*) or 
        (resid    57 and name     HB*))   ((resid    57 and name      HN))      2.614 2.614 0.653 ! 2.61936 B-0213-0533 B-0214-0533 

!assign ((resid    57 and name     HB*))   ((resid    57 and name      HA))      2.472 2.472 0.618 ! 2.464 C-1501-1976 

assign ((resid    57 and name     HB*) or 
        (resid    57 and name     HB*))   ((resid    58 and name      HN))      3.403 3.403 0.851 ! 3.572 B-0215-0071 B-0216-0071 

assign ((resid    57 and name      HA))   ((resid    59 and name      HN))      4.092 1.023 1.023 ! 4.021 A-0374-0453 

assign ((resid    57 and name      HA))   ((resid    60 and name      HA))      3.106 0.776 0.776 ! 3.453 C-2375-3097 

assign ((resid    57 and name      HA))   ((resid    60 and name      HN))      3.109 0.777 0.777 ! 3.075 A-0367-0444 

assign ((resid    57 and name      HA))   ((resid    61 and name      HN))      3.498 0.875 0.875 ! 3.242 A-0308-0380 

!assign ((resid    58 and name      HA))   ((resid    58 and name     HB1))      2.449 0.612 0.612 ! 2.5 C-1615-2040 

!assign ((resid    58 and name      HA))   ((resid    58 and name     HB2))      2.747 0.687 0.687 ! 2.986 C-1597-2039 

assign ((resid    58 and name      HA))   ((resid    58 and name      HN))      2.790 0.698 0.698 ! 2.835 A-0062-0076 

!assign ((resid    58 and name     HB1))   ((resid    58 and name      HA))      2.331 0.583 0.583 ! 2.5 C-1992-2528 

!*****assign ((resid    58 and name     HB1))   ((resid    58 and name     HB2))       1.769 0.442 0.442  ! 1.763 C-1592-2037 

assign ((resid    58 and name     HB1))   ((resid    58 and name      HN))      3.149 0.787 0.787 ! 3.643 A-0064-0074 

!assign ((resid    58 and name     HB2))   ((resid    58 and name      HA))      2.718 0.679 0.679 ! 2.986 C-1993-2527 

!*****assign ((resid    58 and name     HB2))   ((resid    58 and name     HB1))       1.764 0.441 0.441  ! 1.763 C-1612-2038 

assign ((resid    58 and name     HB2))   ((resid    58 and name      HN))      2.501 0.625 0.625 ! 2.453 A-0065-0073 

assign ((resid    58 and name      HA))   ((resid    59 and name      HN))      3.713 0.928 0.928 ! 3.433 A-0376-0460 

assign ((resid    58 and name     HB1))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.764 4.764 1.191 ! 4.3656 C-1611-2034 

assign ((resid    58 and name     HB1))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.808 4.808 1.202 ! 4.3656 C-2474-10012 

assign ((resid    58 and name     HB1))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.792 4.792 1.198 ! 4.62419 C-1610-2042 

assign ((resid    58 and name     HB1))   ((resid    59 and name      HN))      3.866 0.967 0.967 ! 3.55 A-0384-0455 

assign ((resid    58 and name     HB2))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.592 4.592 1.148 ! 3.32995 C-1591-2033 

assign ((resid    58 and name     HB2))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      4.498 4.498 1.125 ! 3.32995 C-2462-10011 

assign ((resid    58 and name     HB2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.606 4.606 1.151 ! 3.87312 C-1593-2041 

assign ((resid    58 and name     HB2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.843 4.843 1.211 ! 3.87312 C-2529-10091 

assign ((resid    58 and name     HB2))   ((resid    59 and name      HN))      3.543 0.886 0.886 ! 2.767 A-0382-0454 

assign ((resid    58 and name      HA))   ((resid    60 and name      HN))      4.448 1.112 1.112 ! 3.891 A-0366-0449 

!assign ((resid    59 and name      HA))   ((resid    59 and name     HB1))      2.524 0.631 0.631 ! 2.49 C-1589-2075 

!assign ((resid    59 and name      HA))   ((resid    59 and name     HB2))      2.969 0.742 0.742 ! 3.029 C-1607-2076 

assign ((resid    59 and name      HA))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      2.491 2.491 0.623 ! 2.74363 C-2467-10016 

assign ((resid    59 and name      HA))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      3.975 3.975 0.994 ! 4.60368 C-2543-10095 

assign ((resid    59 and name      HA))   ((resid    59 and name      HN))      3.019 0.755 0.755 ! 2.93 A-0377-0459 

!assign ((resid    59 and name     HB1))   ((resid    59 and name      HA))      2.508 0.627 0.627 ! 2.49 C-1872-2425 

!*****assign ((resid    59 and name     HB1))   ((resid    59 and name     HB2))       1.873 0.468 0.468  ! 1.764 C-1600-2071 

assign ((resid    59 and name     HB1))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      2.719 2.719 0.680 ! 2.45481 C-2459-10013 

assign ((resid    59 and name     HB1))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.293 4.293 1.073 ! 4.4344 C-2535-10092 

assign ((resid    59 and name     HB1))   ((resid    59 and name      HN))      3.361 0.840 0.840 ! 3.557 A-0383-0456 

!assign ((resid    59 and name     HB2))   ((resid    59 and name      HA))      2.929 0.732 0.732 ! 3.029 C-1874-2426 

!*****assign ((resid    59 and name     HB2))   ((resid    59 and name     HB1))       1.846 0.462 0.462  ! 1.764 C-1580-2070 

assign ((resid    59 and name     HB2))   ((resid    59 and name     HD1) or 
                                           (resid    59 and name     HD2))      2.646 2.646 0.661 ! 2.3528 C-2460-10014 

assign ((resid    59 and name     HB2))   ((resid    59 and name     HE1) or 
                                           (resid    59 and name     HE2))      4.213 4.213 1.053 ! 4.42682 C-2536-10093 

assign ((resid    59 and name     HB2))   ((resid    59 and name      HN))      2.694 0.673 0.673 ! 2.334 A-0381-0457 

assign ((resid    59 and name     HD1) or 
        (resid    59 and name     HD2))   ((resid    59 and name      HA))      2.332 2.332 0.583 ! 2.74363 C-1873-2423 

assign ((resid    59 and name     HD1) or 
        (resid    59 and name     HD2))   ((resid    59 and name     HB1))      2.573 2.573 0.643 ! 2.45481 C-1581-2059 

assign ((resid    59 and name     HD1) or 
        (resid    59 and name     HD2))   ((resid    59 and name     HB2))      2.603 2.603 0.651 ! 2.3528 C-1601-2060 

!assign ((resid    59 and name     HD1) or 
!        (resid    59 and name     HD2))   ((resid    59 and name     HE1) or 
!                                           (resid    59 and name     HE2))      1.942 1.942 0.485 ! 2.19695 C-2534-10081 

assign ((resid    59 and name     HD1) or 
        (resid    59 and name     HD2))   ((resid    59 and name      HN))      3.215 3.215 0.804 ! 2.67813 A-0379-0452 

assign ((resid    59 and name     HE1) or 
        (resid    59 and name     HE2))   ((resid    59 and name      HA))      3.758 3.758 0.940 ! 4.60368 C-1871-2428 

assign ((resid    59 and name     HE1) or 
        (resid    59 and name     HE2))   ((resid    59 and name     HB1))      4.261 4.261 1.065 ! 4.4344 C-1582-2079 

assign ((resid    59 and name     HE1) or 
        (resid    59 and name     HE2))   ((resid    59 and name     HB2))      4.325 4.325 1.081 ! 4.42682 C-1608-2080 

!assign ((resid    59 and name     HE1) or 
!        (resid    59 and name     HE2))   ((resid    59 and name     HD1) or 
!                                           (resid    59 and name     HD2))      1.980 1.980 0.495 ! 2.19695 C-2458-10017 

assign ((resid    59 and name      HA))   ((resid    60 and name     HB*))      4.787 4.787 1.197 ! 4.479 C-1887-2427 

assign ((resid    59 and name      HA))   ((resid    60 and name     HB*))      4.649 4.649 1.162 ! 4.479 C-1898-2430 

assign ((resid    59 and name      HA))   ((resid    60 and name      HN))      3.342 0.836 0.836 ! 3.306 A-0368-0446 

assign ((resid    59 and name     HB2))   ((resid    60 and name      HN))      4.427 1.107 1.107 ! 3.705 A-0372-0445 

assign ((resid    59 and name      HN))   ((resid    60 and name      HA))      3.798 0.950 0.950 ! 4.886 A-0378-0451 

assign ((resid    59 and name      HA))   ((resid    61 and name    HD1#))      4.189 4.189 1.047 ! 5.212 C-1869-2429 

assign ((resid    59 and name      HA))   ((resid    61 and name    HD1#))      4.653 4.653 1.163 ! 5.212 C-2157-2686 

assign ((resid    59 and name     HB1))   ((resid    61 and name    HD1#))      2.787 2.787 0.697 ! 3.409 C-1588-2081 

assign ((resid    59 and name     HB1))   ((resid    61 and name    HD1#))      3.060 3.060 0.765 ! 3.409 C-2151-2681 

assign ((resid    59 and name     HB1))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      3.363 3.363 0.841 ! 2.70292 C-0476-0538 

assign ((resid    59 and name     HB1))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      4.395 4.395 1.099 ! 2.70292 C-0487-0540 

assign ((resid    59 and name     HB1))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      3.206 3.206 0.801 ! 2.70292 C-1590-2062 

assign ((resid    59 and name     HB1))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      3.975 3.975 0.994 ! 2.70292 C-1586-2063 

assign ((resid    59 and name     HB2))   ((resid    61 and name      HA))      4.999 1.250 1.250 ! 5.055 C-1343-1735 

assign ((resid    59 and name     HB2))   ((resid    61 and name      HB))      4.741 1.185 1.185 ! 3.986 C-1599-2078 

assign ((resid    59 and name     HB2))   ((resid    61 and name      HB))      4.594 1.149 1.149 ! 3.986 C-1964-2510 

assign ((resid    59 and name     HB2))   ((resid    61 and name    HD1#))      2.693 2.693 0.673 ! 2.736 C-1606-2082 

assign ((resid    59 and name     HB2))   ((resid    61 and name    HD1#))      2.801 2.801 0.700 ! 2.736 C-2159-2682 

assign ((resid    59 and name     HB2))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      3.219 3.219 0.805 ! 2.24999 C-0474-0539 

assign ((resid    59 and name     HB2))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      4.004 4.004 1.001 ! 2.24999 C-0488-0541 

assign ((resid    59 and name     HB2))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      3.157 3.157 0.789 ! 2.24999 C-1603-2064 

assign ((resid    59 and name     HB2))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      4.055 4.055 1.014 ! 2.24999 C-1609-2065 

assign ((resid    59 and name     HB2))   ((resid    61 and name    HG2#))      4.348 4.348 1.087 ! 4.814 C-1602-2072 

assign ((resid    59 and name     HD1) or 
        (resid    59 and name     HD2))   ((resid    61 and name    HD1#))      3.363 3.363 0.841 ! 3.33335 C-2162-2667 

assign ((resid    59 and name     HD1) or 
        (resid    59 and name     HD2))   ((resid    61 and name    HD1#))      3.435 3.435 0.859 ! 3.33335 C-2466-10018 

assign ((resid    59 and name     HD1) or 
        (resid    59 and name     HD2))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      4.868 4.868 1.217 ! 3.99904 C-0479-0523 

assign ((resid    59 and name     HE1) or 
        (resid    59 and name     HE2))   ((resid    61 and name    HD1#))      4.868 4.868 1.217 ! 4.836 C-2147-2688 

assign ((resid    59 and name     HE1) or 
        (resid    59 and name     HE2))   ((resid    61 and name    HD1#))      4.583 4.583 1.146 ! 4.836 C-2541-10097 

assign ((resid    59 and name      HN))   ((resid    61 and name    HD1#))      4.437 4.437 1.109 ! 4.283 A-0380-0450 

!assign ((resid    60 and name      HA))   ((resid    60 and name     HB*))      2.520 2.520 0.630 ! 3.012 C-1899-2434 

!assign ((resid    60 and name      HA))   ((resid    60 and name     HB*))      2.496 2.496 0.624 ! 2.611 C-1896-2433 

assign ((resid    60 and name      HA))   ((resid    60 and name      HN))      1.939 0.485 0.485 ! 2.33 A-0371-0443 

!assign ((resid    60 and name     HB*))   ((resid    60 and name      HA))      2.295 2.295 0.574 ! 3.012 C-2376-3099 

!*****assign ((resid    60 and name     HB1))   ((resid    60 and name     HB2))       1.514 0.379 0.379  ! 1.764 C-1895-2431 

assign ((resid    60 and name     HB*))   ((resid    60 and name    HD21))      4.004 4.004 1.001 ! 3.565 A-0457-0551 

assign ((resid    60 and name     HB*))   ((resid    60 and name      HN))      3.209 3.209 0.802 ! 3.756 A-0369-0448 

!assign ((resid    60 and name     HB*))   ((resid    60 and name      HA))      2.443 2.443 0.611 ! 2.611 C-2377-3098 

!*****assign ((resid    60 and name     HB2))   ((resid    60 and name     HB1))       1.548 0.387 0.387  ! 1.764 C-1897-2432 

assign ((resid    60 and name     HB*))   ((resid    60 and name    HD21))      3.520 3.520 0.880 ! 2.883 A-0456-0550 

assign ((resid    60 and name     HB*))   ((resid    60 and name    HD22))      3.794 3.794 0.949 ! 3.793 A-0458-0552 

assign ((resid    60 and name     HB*))   ((resid    60 and name      HN))      3.750 3.750 0.938 ! 3.06 A-0370-0447 

assign ((resid    60 and name      HA))   ((resid    61 and name      HA))      4.979 1.245 1.245 ! 4.54 C-2374-3096 

assign ((resid    60 and name      HA))   ((resid    61 and name      HN))      2.657 0.664 0.664 ! 2.687 A-0314-0376 

!assign ((resid    60 and name     HB2))   ((resid    61 and name    HG2#))       4.937 1.234 1.234  ! 7.27 C-1858-2380 

assign ((resid    60 and name      HA))   ((resid    62 and name     HG1) or 
                                           (resid    62 and name     HG2))      4.403 4.403 1.101 ! 4.11414 C-2378-3100 

!assign ((resid    61 and name      HA))   ((resid    61 and name      HB))      3.062 0.765 0.765 ! 3.057 C-1973-2507 

assign ((resid    61 and name      HA))   ((resid    61 and name    HD1#))      3.458 3.458 0.865 ! 3.848 C-2154-2676 

assign ((resid    61 and name      HA))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      2.771 2.771 0.693 ! 2.38559 C-0468-0534 

assign ((resid    61 and name      HA))   ((resid    61 and name    HG11) or 
                                           (resid    61 and name    HG12))      2.813 2.813 0.703 ! 2.38559 C-0484-0535 

assign ((resid    61 and name      HA))   ((resid    61 and name    HG2#))      2.373 2.373 0.593 ! 2.593 C-1850-2373 

assign ((resid    61 and name      HA))   ((resid    61 and name      HN))      3.113 0.778 0.778 ! 2.952 A-0312-0379 

!assign ((resid    61 and name      HB))   ((resid    61 and name      HA))      2.952 0.738 0.738 ! 3.057 C-1349-1737 

assign ((resid    61 and name      HB))   ((resid    61 and name    HD1#))      2.569 2.569 0.642 ! 2.407 C-2161-2687 

!assign ((resid    61 and name      HB))   ((resid    61 and name    HG11) or 
!                                           (resid    61 and name    HG12))      2.969 2.969 0.742 ! 2.40337 C-0475-0545 

!assign ((resid    61 and name      HB))   ((resid    61 and name    HG11) or 
!                                           (resid    61 and name    HG12))      3.453 3.453 0.863 ! 2.40337 C-0486-0546 

!assign ((resid    61 and name      HB))   ((resid    61 and name    HG2#))      2.251 2.251 0.563 ! 2.093 C-1856-2381 

assign ((resid    61 and name      HB))   ((resid    61 and name      HN))      2.358 0.590 0.590 ! 2.375 A-0313-0383 

assign ((resid    61 and name    HD1#))   ((resid    61 and name      HA))      3.057 3.057 0.764 ! 3.848 C-1347-1738 

assign ((resid    61 and name    HD1#))   ((resid    61 and name      HB))      2.467 2.467 0.617 ! 2.407 C-1967-2514 

!assign ((resid    61 and name    HD1#))   ((resid    61 and name    HG11) or 
!                                           (resid    61 and name    HG12))      2.468 2.468 0.617 ! 1.92835 C-0470-0547 

!assign ((resid    61 and name    HD1#))   ((resid    61 and name    HG11) or 
!                                           (resid    61 and name    HG12))      2.635 2.635 0.659 ! 1.92835 C-0485-0548 

!assign ((resid    61 and name    HD1#))   ((resid    61 and name    HG2#))      2.009 2.009 0.502 ! 1.693 C-1848-2382 

assign ((resid    61 and name    HD1#))   ((resid    61 and name      HN))      3.587 3.587 0.897 ! 3.748 A-0315-0375 

assign ((resid    61 and name    HG11) or 
        (resid    61 and name    HG12))   ((resid    61 and name      HA))      2.778 2.778 0.695 ! 2.38559 C-1346-1730 

assign ((resid    61 and name    HG11) or 
        (resid    61 and name    HG12))   ((resid    61 and name      HA))      2.565 2.565 0.641 ! 2.38559 C-1344-1731 

!assign ((resid    61 and name    HG11) or 
!        (resid    61 and name    HG12))   ((resid    61 and name      HB))      2.989 2.989 0.747 ! 2.40337 C-1970-2502 

!assign ((resid    61 and name    HG11) or 
!        (resid    61 and name    HG12))   ((resid    61 and name      HB))      3.351 3.351 0.838 ! 2.40337 C-1968-2503 

!assign ((resid    61 and name    HG11) or 
!        (resid    61 and name    HG12))   ((resid    61 and name    HD1#))      2.575 2.575 0.644 ! 1.92835 C-2143-2670 

!assign ((resid    61 and name    HG11) or 
!        (resid    61 and name    HG12))   ((resid    61 and name    HD1#))      2.587 2.587 0.647 ! 1.92835 C-2156-2671 

!*****assign ((resid    61 and name    HG11) or 
!*****        (resid    61 and name    HG12))   ((resid    61 and name    HG12) or 
!*****                                           (resid    61 and name    HG11))        1.902 1.902 0.475  ! 1.763 C-0469-0525 

!*****assign ((resid    61 and name    HG11) or 
!*****        (resid    61 and name    HG12))   ((resid    61 and name    HG12) or 
!*****                                           (resid    61 and name    HG11))        2.015 2.015 0.504  ! 1.763 C-0483-0526 

!assign ((resid    61 and name    HG11) or 
!        (resid    61 and name    HG12))   ((resid    61 and name    HG2#))      3.072 3.072 0.768 ! 2.38956 C-1843-2365 

!assign ((resid    61 and name    HG11) or 
!        (resid    61 and name    HG12))   ((resid    61 and name    HG2#))      2.603 2.603 0.651 ! 2.38956 C-1847-2366 

assign ((resid    61 and name    HG11) or 
        (resid    61 and name    HG12))   ((resid    61 and name      HN))      3.750 3.750 0.938 ! 2.57857 A-0311-0377 

assign ((resid    61 and name    HG11) or 
        (resid    61 and name    HG12))   ((resid    61 and name      HN))      3.000 3.000 0.750 ! 2.57857 A-0310-0378 

assign ((resid    61 and name    HG2#))   ((resid    61 and name      HA))      2.246 2.246 0.561 ! 2.593 C-1345-1736 

!assign ((resid    61 and name    HG2#))   ((resid    61 and name      HB))      2.251 2.251 0.563 ! 2.093 C-1971-2512 

!assign ((resid    61 and name    HG2#))   ((resid    61 and name    HD1#))      2.109 2.109 0.527 ! 1.693 C-2146-2684 

!assign ((resid    61 and name    HG2#))   ((resid    61 and name    HG11) or 
!                                           (resid    61 and name    HG12))      2.929 2.929 0.732 ! 2.38956 C-0471-0542 

!assign ((resid    61 and name    HG2#))   ((resid    61 and name    HG11) or 
!                                           (resid    61 and name    HG12))      2.718 2.718 0.679 ! 2.38956 C-0482-0543 

assign ((resid    61 and name    HG2#))   ((resid    61 and name      HN))      3.525 3.525 0.881 ! 3.753 A-0309-0382 

assign ((resid    61 and name      HA))   ((resid    62 and name      HA))      4.732 1.183 1.183 ! 4.527 C-0005-0003 

assign ((resid    61 and name      HA))   ((resid    62 and name      HA))      4.398 1.099 1.099 ! 4.527 C-1348-1727 

assign ((resid    61 and name      HA))   ((resid    62 and name      HN))      2.045 0.511 0.511 ! 2.223 A-0040-0044 

assign ((resid    61 and name    HG2#))   ((resid    62 and name      HA))      3.717 3.717 0.929 ! 4.028 C-0006-0005 

assign ((resid    61 and name    HG2#))   ((resid    62 and name      HA))      3.922 3.922 0.981 ! 4.028 C-1857-2362 

assign ((resid    61 and name    HG2#))   ((resid    62 and name      HN))      2.808 2.808 0.702 ! 3.158 A-0038-0045 

assign ((resid    61 and name    HG2#))   ((resid    63 and name      HA))      4.430 4.430 1.107 ! 4.705 C-1928-2469 

assign ((resid    61 and name    HG2#))   ((resid    63 and name     HD1) or 
                                           (resid    63 and name     HD2) or 
                                           (resid    67 and name      HG))      4.286 4.286 1.071 ! 4.24684 D-1006-2363 D-1005-2363 

assign ((resid    61 and name      HA))   ((resid    65 and name     HB1))      4.745 1.186 1.186 ! 4.239 C-1028-1358 

assign ((resid    61 and name      HA))   ((resid    65 and name     HB1))      4.670 1.167 1.167 ! 4.239 C-1274-1734 

assign ((resid    61 and name      HA))   ((resid    65 and name     HB2))      4.838 1.210 1.210 ! 4.443 C-1031-1359 

assign ((resid    61 and name    HD1#))   ((resid    65 and name     HB2))      4.717 4.717 1.179 ! 4.657 C-1036-1366 

assign ((resid    61 and name    HG2#))   ((resid    65 and name      HA))      4.389 4.389 1.097 ! 4.66 C-1842-2377 

assign ((resid    61 and name    HG2#))   ((resid    65 and name     HB1))      2.667 2.667 0.667 ! 2.716 C-1024-1363 

assign ((resid    61 and name    HG2#))   ((resid    65 and name     HB1))      2.713 2.713 0.678 ! 2.716 C-1849-2369 

assign ((resid    61 and name    HG2#))   ((resid    65 and name     HB2))      2.400 2.400 0.600 ! 2.318 C-1034-1364 

assign ((resid    61 and name    HG2#))   ((resid    65 and name     HB2))      2.454 2.454 0.614 ! 2.318 C-1851-2370 

assign ((resid    61 and name    HG2#))   ((resid    65 and name      HN))      3.877 3.877 0.969 ! 4.008 A-0416-0499 

assign ((resid    61 and name      HA))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      4.205 4.205 1.051 ! 4.70696 D-0801-1733 D-0804-1733 D-0802-1733 D-0803-1733 

assign ((resid    61 and name      HB))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      4.500 4.500 1.125 ! 4.32722 D-0417-1040 D-0418-1040 

assign ((resid    61 and name      HB))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      4.503 4.503 1.126 ! 4.32722 D-1019-2505 D-1020-2505 D-1018-2505 D-1017-2505 

assign ((resid    61 and name    HD1#))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      2.342 2.342 0.586 ! 2.15057 D-0448-1042 D-0447-1042 D-0449-1042 D-0450-1042 

assign ((resid    61 and name    HD1#))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      2.182 2.182 0.545 ! 2.15057 D-1084-2674 D-1085-2674 D-1087-2674 D-1086-2674 

assign ((resid    61 and name    HD1#))   ((resid    67 and name      HG))      3.939 3.939 0.985 ! 4.316 C-0380-0457 

assign ((resid    61 and name    HD1#))   ((resid    67 and name      HG))      3.957 3.957 0.989 ! 4.316 C-2144-2668 

assign ((resid    61 and name    HG11) or 
        (resid    61 and name    HG12))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      4.013 4.013 1.003 ! 3.11951 D-0127-0530 D-0128-0530 

assign ((resid    61 and name    HG11) or 
        (resid    61 and name    HG12))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      4.062 4.062 1.016 ! 3.11951 D-0427-1030 D-0430-1030 D-0429-1030 D-0428-1030 

assign ((resid    61 and name    HG2#))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      2.483 2.483 0.621 ! 2.39094 D-0409-1039 D-0410-1039 

assign ((resid    61 and name    HG2#))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      2.200 2.200 0.550 ! 2.39094 D-1004-2368 D-1003-2368 D-1002-2368 D-1001-2368 

!assign ((resid    62 and name      HA))   ((resid    62 and name     HB1))      2.732 0.683 0.683 ! 2.555 C-0127-0155 

!assign ((resid    62 and name      HA))   ((resid    62 and name     HB2))      3.252 0.813 0.813 ! 2.979 C-0144-0156 

assign ((resid    62 and name      HA))   ((resid    62 and name     HG1) or 
                                           (resid    62 and name     HG2))      3.018 3.018 0.754 ! 2.4147 C-2400-3092 

assign ((resid    62 and name      HA))   ((resid    62 and name      HN))      3.045 0.761 0.761 ! 2.977 A-0042-0040 

!assign ((resid    62 and name     HB1))   ((resid    62 and name      HA))      2.410 0.603 0.603 ! 2.555 C-0004-0001 

!assign ((resid    62 and name     HB1))   ((resid    62 and name     HG1) or 
!                                           (resid    62 and name     HG2))      2.102 2.102 0.525 ! 2.42281 C-2403-3093 

assign ((resid    62 and name     HB1))   ((resid    62 and name      HN))      3.482 0.871 0.871 ! 3.589 A-0041-0042 

!assign ((resid    62 and name     HB2))   ((resid    62 and name      HA))      2.896 0.724 0.724 ! 2.979 C-0002-0002 

!assign ((resid    62 and name     HB2))   ((resid    62 and name     HG1) or 
!                                           (resid    62 and name     HG2))      2.730 2.730 0.682 ! 2.25008 C-2402-3094 

assign ((resid    62 and name     HB2))   ((resid    62 and name      HN))      2.814 0.704 0.704 ! 2.327 A-0037-0043 

assign ((resid    62 and name     HG1) or 
        (resid    62 and name     HG2))   ((resid    62 and name    HE21))      3.710 3.710 0.927 ! 2.83707 A-0451-0541 

assign ((resid    62 and name     HG1) or 
        (resid    62 and name     HG2))   ((resid    62 and name      HN))      3.010 3.010 0.752 ! 3.18612 A-0039-0041 

assign ((resid    62 and name      HA))   ((resid    63 and name      HA))      4.013 1.003 1.003 ! 4.21 C-0001-0006 

assign ((resid    62 and name      HA))   ((resid    63 and name      HA))      4.368 1.092 1.092 ! 4.21 C-1932-2460 

assign ((resid    62 and name      HA))   ((resid    63 and name      HN))      2.285 0.571 0.571 ! 2.48 A-0244-0293 

assign ((resid    62 and name     HB1))   ((resid    63 and name      HN))      2.517 0.629 0.629 ! 2.317 A-0239-0297 

assign ((resid    62 and name     HG1) or 
        (resid    62 and name     HG2))   ((resid    63 and name      HN))      3.426 3.426 0.857 ! 3.69145 A-0237-0294 

!assign ((resid    63 and name      HA))   ((resid    63 and name     HB1))      2.449 0.612 0.612 ! 2.365 C-0052-0057 

!assign ((resid    63 and name      HA))   ((resid    63 and name     HB2))      2.434 0.609 0.609 ! 2.488 C-0046-0056 

assign ((resid    63 and name      HA))   ((resid    63 and name     HD1) or 
                                           (resid    63 and name     HD2))      3.994 3.994 0.999 ! 4.17768 C-0389-0444 

assign ((resid    63 and name      HA))   ((resid    63 and name     HE1) or 
                                           (resid    63 and name     HE2))      4.818 4.818 1.204 ! 5.53606 C-1290-1699 

assign ((resid    63 and name      HA))   ((resid    63 and name     HG1) or 
                                           (resid    63 and name     HG2))      3.824 3.824 0.956 ! 3.35441 C-0967-1278 

assign ((resid    63 and name      HA))   ((resid    63 and name      HN))      2.687 0.672 0.672 ! 2.779 A-0240-0301 

!assign ((resid    63 and name     HB1))   ((resid    63 and name      HA))      2.251 0.563 0.563 ! 2.365 C-1923-2462 

assign ((resid    63 and name     HB1))   ((resid    63 and name     HD1) or 
                                           (resid    63 and name     HD2))      2.657 2.657 0.664 ! 2.39115 C-0390-0440 

assign ((resid    63 and name     HB1))   ((resid    63 and name     HE1) or 
                                           (resid    63 and name     HE2))      4.051 4.051 1.013 ! 3.7199 C-1291-1696 

!assign ((resid    63 and name     HB1))   ((resid    63 and name     HG1) or 
!                                           (resid    63 and name     HG2))      3.060 3.060 0.765 ! 2.30465 C-0965-1267 

!assign ((resid    63 and name     HB1))   ((resid    63 and name     HG1) or 
!                                           (resid    63 and name     HG2))      3.014 3.014 0.753 ! 2.30465 C-0971-1268 

assign ((resid    63 and name     HB1))   ((resid    63 and name      HN))      2.675 0.669 0.669 ! 2.76 A-0238-0296 

!assign ((resid    63 and name     HB2))   ((resid    63 and name      HA))      2.150 0.537 0.537 ! 2.488 C-1925-2461 

!*****assign ((resid    63 and name     HB2))   ((resid    63 and name     HB1))       1.671 0.418 0.418  ! 1.764 C-0051-0048 

assign ((resid    63 and name     HB2))   ((resid    63 and name     HD1) or 
                                           (resid    63 and name     HD2))      2.740 2.740 0.685 ! 2.26173 C-0391-0439 

assign ((resid    63 and name     HB2))   ((resid    63 and name     HE1) or 
                                           (resid    63 and name     HE2))      3.801 3.801 0.950 ! 4.0234 C-1289-1695 

!assign ((resid    63 and name     HB2))   ((resid    63 and name     HG1) or 
!                                           (resid    63 and name     HG2))      3.140 3.140 0.785 ! 2.43659 D-0497-1266 D-0496-1266 

assign ((resid    63 and name     HB2))   ((resid    63 and name      HN))      2.957 0.739 0.739 ! 3.65 A-0241-0295 

assign ((resid    63 and name     HD1) or 
        (resid    63 and name     HD2))   ((resid    63 and name      HA))      3.691 3.691 0.923 ! 4.17768 C-1922-2465 

!assign ((resid    63 and name     HD1) or 
!        (resid    63 and name     HD2))   ((resid    63 and name     HE1) or 
!                                           (resid    63 and name     HE2))      2.225 2.225 0.556 ! 2.0016 C-1288-1697 

!assign ((resid    63 and name     HD1) or 
!        (resid    63 and name     HD2))   ((resid    63 and name     HG1) or 
!                                           (resid    63 and name     HG2))      1.907 1.907 0.477 ! 2.07975 C-0968-1271 

!assign ((resid    63 and name     HD1) or 
!        (resid    63 and name     HD2))   ((resid    63 and name     HG1) or 
!                                           (resid    63 and name     HG2))      1.907 1.907 0.477 ! 2.07975 C-0970-1272 

assign ((resid    63 and name     HD1) or 
        (resid    63 and name     HD2))   ((resid    63 and name      HN))      3.594 3.594 0.898 ! 4.08658 A-0242-0298 

assign ((resid    63 and name     HE1) or 
        (resid    63 and name     HE2))   ((resid    63 and name     HB1))      4.013 4.013 1.003 ! 3.7199 C-0053-0055 

!assign ((resid    63 and name     HE1) or 
!        (resid    63 and name     HE2))   ((resid    63 and name     HD1) or 
!                                           (resid    63 and name     HD2))      2.352 2.352 0.588 ! 2.0016 C-0388-0442 

assign ((resid    63 and name     HE1) or 
        (resid    63 and name     HE2))   ((resid    63 and name     HG1) or 
                                           (resid    63 and name     HG2))      2.905 2.905 0.726 ! 2.27616 C-0969-1275 

assign ((resid    63 and name     HE1) or 
        (resid    63 and name     HE2))   ((resid    63 and name     HG1) or 
                                           (resid    63 and name     HG2))      2.944 2.944 0.736 ! 2.27616 C-0972-1276 

assign ((resid    63 and name     HG1) or 
        (resid    63 and name     HG2))   ((resid    63 and name      HA))      3.101 3.101 0.775 ! 3.35441 D-1014-2466 D-1013-2466 

!assign ((resid    63 and name     HG1) or 
!        (resid    63 and name     HG2))   ((resid    63 and name     HB1))      2.594 2.594 0.648 ! 2.30465 C-0050-0054 

!assign ((resid    63 and name     HG1) or 
!        (resid    63 and name     HG2))   ((resid    63 and name     HB2))      2.640 2.640 0.660 ! 2.43659 C-0047-0053 

!assign ((resid    63 and name     HG1) or 
!        (resid    63 and name     HG2))   ((resid    63 and name     HD1) or 
!                                           (resid    63 and name     HD2))      1.652 1.652 0.413 ! 2.07975 D-0107-0441 D-0108-0441 

assign ((resid    63 and name     HG1) or 
        (resid    63 and name     HG2))   ((resid    63 and name     HE1) or 
                                           (resid    63 and name     HE2))      2.314 2.314 0.579 ! 2.27616 D-0778-1698 D-0777-1698 

assign ((resid    63 and name     HG1) or 
        (resid    63 and name     HG2))   ((resid    63 and name      HN))      2.773 2.773 0.693 ! 2.15553 B-0105-0299 B-0106-0299 

assign ((resid    63 and name      HA))   ((resid    64 and name      HA))      3.567 0.892 0.892 ! 4.249 C-1934-2457 

assign ((resid    63 and name      HA))   ((resid    64 and name      HA))      3.751 0.938 0.938 ! 4.249 C-1921-2470 

assign ((resid    63 and name      HA))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      4.736 4.736 1.184 ! 4.35532 C-1931-2471 

assign ((resid    63 and name      HA))   ((resid    64 and name      HN))      2.011 0.503 0.503 ! 2.068 A-0424-0509 

!**assign ((resid    63 and name     HB1))   ((resid    64 and name     HB1))       4.796 1.199 1.199  ! 6.80001 C-0049-0051 

assign ((resid    63 and name     HB1))   ((resid    64 and name     HB2))      4.699 1.175 1.175 ! 5.381 C-0054-0052 

assign ((resid    63 and name     HB1))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      4.338 4.338 1.085 ! 4.93837 C-0055-0058 

assign ((resid    63 and name     HB1))   ((resid    64 and name      HN))      4.270 1.067 1.067 ! 3.723 A-0420-0503 

assign ((resid    63 and name     HB2))   ((resid    64 and name     HB2))      4.423 1.106 1.106 ! 3.876 C-0048-0050 

assign ((resid    63 and name     HB2))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      4.246 4.246 1.062 ! 3.36224 C-2025-2587 

assign ((resid    63 and name     HB2))   ((resid    64 and name      HN))      3.383 0.846 0.846 ! 2.726 A-0421-0502 

assign ((resid    63 and name     HD1) or 
        (resid    63 and name     HD2))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      4.135 4.135 1.034 ! 4.17588 C-0393-0445 

assign ((resid    63 and name     HD1) or 
        (resid    63 and name     HD2))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      4.195 4.195 1.049 ! 4.17588 C-0392-0446 

assign ((resid    63 and name     HD1) or 
        (resid    63 and name     HD2))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      4.323 4.323 1.081 ! 4.17588 C-2019-2589 

assign ((resid    63 and name     HD1) or 
        (resid    63 and name     HD2) or 
        (resid    67 and name      HG))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      4.371 4.371 1.093 ! 4.17025 D-1046-2590 D-1045-2590 

assign ((resid    63 and name     HE1) or 
        (resid    63 and name     HE2))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      4.484 4.484 1.121 ! 6.01241 C-1286-1700 

assign ((resid    63 and name     HE1) or 
        (resid    63 and name     HE2))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      4.627 4.627 1.157 ! 6.01241 C-1287-1701 

assign ((resid    63 and name     HE1) or 
        (resid    63 and name     HE2))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      4.773 4.773 1.193 ! 6.01241 C-2011-2599 

assign ((resid    63 and name     HE1) or 
        (resid    63 and name     HE2))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      4.828 4.828 1.207 ! 6.01241 C-2054-2600 

assign ((resid    63 and name     HG1) or 
        (resid    63 and name     HG2))   ((resid    64 and name     HB1))      4.177 4.177 1.044 ! 5.23885 C-0786-0977 

assign ((resid    63 and name     HG1) or 
        (resid    63 and name     HG2))   ((resid    64 and name     HB2))      4.330 4.330 1.083 ! 3.59752 C-0740-0978 

assign ((resid    63 and name     HG1) or 
        (resid    63 and name     HG2))   ((resid    64 and name     HB2))      4.641 4.641 1.160 ! 3.59752 C-0982-1273 

assign ((resid    63 and name     HG1) or 
        (resid    63 and name     HG2))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      3.966 3.966 0.992 ! 4.50051 C-0973-1279 

assign ((resid    63 and name     HG1) or 
        (resid    63 and name     HG2))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      3.641 3.641 0.910 ! 4.50051 C-2018-2597 

assign ((resid    63 and name     HG1) or 
        (resid    63 and name     HG2))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      3.660 3.660 0.915 ! 4.50051 D-1034-2598 D-1033-2598 

assign ((resid    63 and name     HG1) or 
        (resid    63 and name     HG2))   ((resid    64 and name      HN))      4.160 4.160 1.040 ! 4.06898 B-0158-0505 B-0157-0505 

assign ((resid    63 and name      HA))   ((resid    65 and name      HN))      3.361 0.840 0.840 ! 3.378 A-0418-0498 

!assign ((resid    64 and name      HA))   ((resid    64 and name     HB1))      2.813 0.703 0.703 ! 2.569 C-0737-0980 

!assign ((resid    64 and name      HA))   ((resid    64 and name     HB2))      2.984 0.746 0.746 ! 3.045 C-0789-0981 

assign ((resid    64 and name      HA))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      3.045 3.045 0.761 ! 2.23875 C-2016-2602 

assign ((resid    64 and name      HA))   ((resid    64 and name     HG1) or 
                                           (resid    64 and name     HG2))      3.025 3.025 0.756 ! 2.23875 C-2024-2603 

assign ((resid    64 and name      HA))   ((resid    64 and name      HN))      2.353 0.588 0.588 ! 2.25 A-0425-0508 

!assign ((resid    64 and name     HB1))   ((resid    64 and name      HA))      2.516 0.629 0.629 ! 2.569 C-1935-2452 

!*****assign ((resid    64 and name     HB1))   ((resid    64 and name     HB2))       1.869 0.467 0.467  ! 1.762 C-0790-0976 

!assign ((resid    64 and name     HB1))   ((resid    64 and name     HG1) or 
!                                           (resid    64 and name     HG2))      2.529 2.529 0.632 ! 2.20006 C-2017-2593 

!assign ((resid    64 and name     HB1))   ((resid    64 and name     HG1) or 
!                                           (resid    64 and name     HG2))      2.421 2.421 0.605 ! 2.20006 C-2022-2595 

assign ((resid    64 and name     HB1))   ((resid    64 and name      HN))      4.252 1.063 1.063 ! 4.071 A-0426-0504 

!*****assign ((resid    64 and name     HB2))   ((resid    64 and name     HB1))       1.840 0.460 0.460  ! 1.762 C-0785-0975 

!assign ((resid    64 and name     HB2))   ((resid    64 and name     HG1) or 
!                                           (resid    64 and name     HG2))      2.425 2.425 0.606 ! 2.5635 C-2015-2594 

!assign ((resid    64 and name     HB2))   ((resid    64 and name     HG1) or 
!                                           (resid    64 and name     HG2))      2.473 2.473 0.618 ! 2.5635 C-2023-2596 

assign ((resid    64 and name     HG1) or 
        (resid    64 and name     HG2))   ((resid    64 and name      HA))      2.921 2.921 0.730 ! 2.23875 C-1941-2458 

assign ((resid    64 and name     HG1) or 
        (resid    64 and name     HG2))   ((resid    64 and name      HA))      2.816 2.816 0.704 ! 2.23875 C-1940-2459 

!assign ((resid    64 and name     HG1) or 
!        (resid    64 and name     HG2))   ((resid    64 and name     HB1))      2.348 2.348 0.587 ! 2.20006 C-0739-0982 

!assign ((resid    64 and name     HG1) or 
!        (resid    64 and name     HG2))   ((resid    64 and name     HB1))      2.586 2.586 0.646 ! 2.20006 C-0738-0983 

!assign ((resid    64 and name     HG1) or 
!        (resid    64 and name     HG2))   ((resid    64 and name     HB2))      2.411 2.411 0.603 ! 2.5635 C-0791-0984 

!assign ((resid    64 and name     HG1) or 
!        (resid    64 and name     HG2))   ((resid    64 and name     HB2))      2.527 2.527 0.632 ! 2.5635 C-0792-0985 

!*****assign ((resid    64 and name     HG1) or 
!*****        (resid    64 and name     HG2))   ((resid    64 and name     HG2) or 
!*****                                           (resid    64 and name     HG1))        1.571 1.571 0.393  ! 1.764 C-2021-2604 

assign ((resid    64 and name      HA))   ((resid    65 and name      HN))      3.233 0.808 0.808 ! 2.887 A-0414-0497 

!assign ((resid    65 and name      HA))   ((resid    65 and name     HB1))      2.491 0.623 0.623 ! 2.568 C-1021-1360 

!assign ((resid    65 and name      HA))   ((resid    65 and name     HB2))      2.904 0.726 0.726 ! 3.033 C-1032-1361 

assign ((resid    65 and name      HA))   ((resid    65 and name      HN))      2.966 0.742 0.742 ! 2.843 A-0415-0494 

!assign ((resid    65 and name     HB1))   ((resid    65 and name      HA))      2.281 0.570 0.570 ! 2.568 C-1495-2026 

!*****assign ((resid    65 and name     HB1))   ((resid    65 and name     HB2))       1.671 0.418 0.418  ! 1.763 C-1033-1356 

assign ((resid    65 and name     HB1))   ((resid    65 and name      HN))      3.350 0.838 0.838 ! 3.523 A-0419-0492 

!assign ((resid    65 and name     HB2))   ((resid    65 and name      HA))      2.826 0.707 0.707 ! 3.033 C-1496-2027 

!*****assign ((resid    65 and name     HB2))   ((resid    65 and name     HB1))       1.722 0.430 0.430  ! 1.763 C-1023-1355 

assign ((resid    65 and name     HB2))   ((resid    65 and name      HN))      2.657 0.664 0.664 ! 2.286 A-0413-0493 

assign ((resid    65 and name      HA))   ((resid    66 and name      HB))      4.894 1.224 1.224 ! 4.846 C-0440-0515 

assign ((resid    65 and name      HA))   ((resid    66 and name      HB))      4.613 1.153 1.153 ! 4.846 C-1494-2024 

assign ((resid    65 and name      HA))   ((resid    66 and name      HN))      2.125 0.531 0.531 ! 2.421 A-0355-0435 

assign ((resid    65 and name     HB1))   ((resid    66 and name      HN))      3.052 0.763 0.763 ! 2.69 A-0358-0431 

assign ((resid    65 and name     HB2))   ((resid    66 and name      HN))      3.764 0.941 0.941 ! 3.861 A-0356-0432 

assign ((resid    65 and name      HA))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      4.606 4.606 1.151 ! 5.01791 D-0863-2025 D-0864-2025 

assign ((resid    65 and name     HB1))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.557 3.557 0.889 ! 3.16266 C-0884-1117 

assign ((resid    65 and name     HB1))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.343 3.343 0.836 ! 3.16266 D-0592-1354 D-0591-1354 

assign ((resid    65 and name     HB2))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.737 3.737 0.934 ! 3.49855 C-0883-1118 

assign ((resid    65 and name     HB2))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.375 3.375 0.844 ! 3.49855 D-0596-1353 D-0595-1353 D-0594-1353 D-0593-1353 

!assign ((resid    66 and name      HA))   ((resid    66 and name      HB))      2.814 0.704 0.704 ! 3.083 C-0438-0514 

assign ((resid    66 and name      HA))   ((resid    66 and name    HG2#))      2.163 2.163 0.541 ! 2.421 C-1249-1603 

assign ((resid    66 and name      HA))   ((resid    66 and name      HN))      3.309 0.827 0.827 ! 2.96 A-0359-0433 

!assign ((resid    66 and name      HB))   ((resid    66 and name      HA))      2.939 0.735 0.735 ! 3.083 C-1317-1775 

!*****assign ((resid    66 and name      HB))   ((resid    66 and name    HG2#))       1.873 0.468 0.468  ! 2.13 C-1248-1593 

assign ((resid    66 and name      HB))   ((resid    66 and name      HN))      2.501 0.625 0.625 ! 2.738 A-0357-0430 

assign ((resid    66 and name    HG2#))   ((resid    66 and name      HA))      2.129 2.129 0.532 ! 2.421 C-1316-1777 

!*****assign ((resid    66 and name    HG2#))   ((resid    66 and name      HB))       1.796 0.449 0.449  ! 2.13 C-0439-0513 

assign ((resid    66 and name    HG2#))   ((resid    66 and name      HN))      3.687 3.687 0.922 ! 3.886 A-0360-0434 

assign ((resid    66 and name      HA))   ((resid    67 and name      HA))      4.855 1.214 1.214 ! 4.425 C-1314-1783 

assign ((resid    66 and name      HA))   ((resid    67 and name      HA))      4.865 1.216 1.216 ! 4.425 C-2441-3161 

assign ((resid    66 and name      HA))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      4.050 4.050 1.012 ! 3.79381 C-0882-1120 

assign ((resid    66 and name      HA))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      3.737 3.737 0.934 ! 3.79381 D-0793-1776 D-0794-1776 

assign ((resid    66 and name      HA))   ((resid    67 and name      HN))      2.147 0.537 0.537 ! 2.201 A-0512-0603 

assign ((resid    66 and name    HG2#) or 
        (resid    70 and name    HG1#))   ((resid    67 and name      HA) or 
                                           (resid    71 and name      HA))      3.496 3.496 0.874 ! 3.52515 D-0746-1614 D-0747-1614 D-0744-1614 D-0745-1614 

assign ((resid    66 and name    HG2#) or 
        (resid    70 and name    HG1#))   ((resid    67 and name      HA) or 
                                           (resid    71 and name      HA))      3.578 3.578 0.894 ! 3.52515 D-1217-3142 D-1219-3142 D-1216-3142 D-1218-3142 

assign ((resid    66 and name    HG2#) or 
        (resid    70 and name    HG1#))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      4.894 4.894 1.224 ! 4.27249 D-0434-1035 D-0433-1035 D-0437-1035 D-0438-1035 D-0431-1035 D-0435-1035 D-0436-1035 D-0432-1035 

assign ((resid    66 and name    HG2#))   ((resid    67 and name      HN))      2.858 2.858 0.715 ! 2.79 A-0511-0604 

assign ((resid    66 and name    HG2#) or 
        (resid    70 and name    HG1#))   ((resid    68 and name     HB1))      4.313 4.313 1.078 ! 5.0581 D-0749-1590 D-0748-1590 

!assign ((resid    66 and name    HG2#) or 
!        (resid    70 and name    HG1#))   ((resid    68 and name     HB2))        4.249 4.249 1.062  ! 5.2089 D-0074-0269 D-0073-0269 

assign ((resid    66 and name    HG2#) or 
        (resid    70 and name    HG1#))   ((resid    68 and name     HE1))      3.948 3.948 0.987 ! 3.8907 D-0765-1607 D-0764-1607 

assign ((resid    66 and name    HG2#) or 
        (resid    70 and name    HG1#))   ((resid    68 and name     HE1))      3.871 3.871 0.968 ! 3.8907 D-1294-10072 D-1293-10072 

assign ((resid    66 and name    HG2#) or 
        (resid    70 and name    HG1#))   ((resid    70 and name      HA))      2.542 2.542 0.635 ! 2.41688 D-0736-1605 D-0735-1605 

assign ((resid    66 and name    HG2#) or 
        (resid    70 and name    HG1#))   ((resid    70 and name      HA))      2.332 2.332 0.583 ! 2.41688 D-0888-2052 D-0887-2052 

!assign ((resid    66 and name    HG2#) or 
!        (resid    70 and name    HG1#))   ((resid    70 and name      HB))      2.392 2.392 0.598 ! 2.13197 D-0761-1610 D-0760-1610 

!assign ((resid    66 and name    HG2#) or 
!        (resid    70 and name    HG1#))   ((resid    70 and name      HB))      2.246 2.246 0.561 ! 2.13197 D-1097-2766 D-1096-2766 

!*****assign ((resid    66 and name    HG2#) or 
!*****        (resid    70 and name    HG1#))   ((resid    70 and name    HG1#) or 
!*****                                           (resid    66 and name    HG2#))        0.629 0.629 0.157  ! 9.385 D-0742-1601 D-0743-1601 

!assign ((resid    67 and name      HA) or 
!        (resid    71 and name      HA))   ((resid    67 and name     HB1) or 
!                                           (resid    67 and name     HB2) or 
!                                           (resid    69 and name     HB1))      2.680 2.680 0.670 ! 2.2636 D-0615-1344 D-0617-1344 D-0616-1344 D-0618-1344 

assign ((resid    67 and name      HA) or 
        (resid    71 and name      HA))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#))      2.614 2.614 0.653 ! 2.12439 D-0443-1043 D-0439-1043 D-0440-1043 D-0444-1043 D-0445-1043 D-0441-1043 D-0442-1043 D-0446-1043 

assign ((resid    67 and name      HA) or 
        (resid    71 and name      HA))   ((resid    67 and name      HG))      2.927 2.927 0.732 ! 3.50883 D-0099-0459 D-0100-0459 

assign ((resid    67 and name      HA))   ((resid    67 and name      HN))      3.369 0.842 0.842 ! 2.949 A-0514-0599 

!assign ((resid    67 and name     HB1) or 
!        (resid    67 and name     HB2) or 
!        (resid    69 and name     HB1))   ((resid    67 and name      HA) or 
!                                           (resid    71 and name      HA))      2.262 2.262 0.566 ! 2.2636 D-1228-3137 D-1230-3137 D-1229-3137 D-1231-3137 

assign ((resid    67 and name     HB1) or 
        (resid    67 and name     HB2) or 
        (resid    69 and name     HB1))   ((resid    67 and name    HD1#) or 
                                           (resid    67 and name    HD2#) or 
                                           (resid    69 and name     HD*) or 
                                           (resid    71 and name     HD*))      2.375 2.375 0.594 ! 1.97266 D-0456-1032 D-0459-1032 D-0460-1032 D-0455-1032 D-0461-1032 D-0457-1032 D-0458-1032 D-0462-1032 

!assign ((resid    67 and name     HB1) or 
!        (resid    67 and name     HB2))   ((resid    67 and name      HG))      2.142 2.142 0.535 ! 2.26694 C-0387-0451 

assign ((resid    67 and name     HB1) or 
        (resid    67 and name     HB2) or 
        (resid    69 and name     HB1))   ((resid    67 and name      HN))      2.815 2.815 0.704 ! 2.65516 B-0190-0602 B-0191-0602 

assign ((resid    67 and name    HD1#) or 
        (resid    67 and name    HD2#))   ((resid    67 and name      HA) or 
                                           (resid    71 and name      HA))      2.400 2.400 0.600 ! 2.12439 D-1205-3134 D-1208-3134 D-1206-3134 D-1207-3134 D-1209-3134 D-1212-3134 D-1210-3134 D-1211-3134 

assign ((resid    67 and name    HD1#) or 
        (resid    67 and name    HD2#))   ((resid    67 and name     HB1) or 
                                           (resid    67 and name     HB2) or 
                                           (resid    69 and name     HB1))      2.554 2.554 0.638 ! 1.97266 D-0603-1326 D-0604-1326 D-0602-1326 D-0601-1326 D-0606-1326 D-0605-1326 D-0607-1326 D-0608-1326 

!*****assign ((resid    67 and name    HD1#) or 
!*****        (resid    67 and name    HD2#))   ((resid    67 and name    HD2#) or 
!*****                                           (resid    67 and name    HD1#))        0.723 0.723 0.181  ! 2.033 D-0424-1031 D-0422-1031 D-0426-1031 D-0425-1031 D-0423-1031 D-0421-1031 D-0420-1031 D-0419-1031 

!assign ((resid    67 and name    HD1#) or 
!        (resid    67 and name    HD2#))   ((resid    67 and name      HG))      2.277 2.277 0.569 ! 1.88283 D-0101-0450 D-0103-0450 D-0102-0450 D-0104-0450 

assign ((resid    67 and name    HD1#) or 
        (resid    67 and name    HD2#))   ((resid    67 and name      HN))      3.355 3.355 0.839 ! 2.86854 B-0188-0601 B-0186-0601 B-0189-0601 B-0187-0601 

assign ((resid    67 and name      HG))   ((resid    67 and name      HA) or 
                                           (resid    71 and name      HA))      2.854 2.854 0.714 ! 3.50883 D-1203-3132 D-1204-3132 

!assign ((resid    67 and name      HG))   ((resid    67 and name     HB1) or 
!                                           (resid    67 and name     HB2) or 
!                                           (resid    69 and name     HB1))      2.418 2.418 0.605 ! 2.26677 D-0611-1320 D-0612-1320 

!assign ((resid    67 and name      HG))   ((resid    67 and name    HD1#) or 
!                                           (resid    67 and name    HD2#))      2.409 2.409 0.602 ! 1.88283 D-0413-1028 D-0414-1028 D-0415-1028 D-0416-1028 

assign ((resid    67 and name      HG))   ((resid    67 and name      HN))      3.575 0.894 0.894 ! 2.441 A-0510-0600 

assign ((resid    67 and name      HA) or 
        (resid    71 and name      HA))   ((resid    68 and name     HE1))      4.130 4.130 1.032 ! 6.83422 D-1226-3146 D-1227-3146 

assign ((resid    67 and name      HA) or 
        (resid    71 and name      HA))   ((resid    68 and name     HE1))      4.148 4.148 1.037 ! 6.83422 D-1291-10077 D-1292-10077 

assign ((resid    67 and name      HA))   ((resid    68 and name      HN))      2.274 0.569 0.569 ! 2.451 A-0321-0385 

assign ((resid    67 and name     HB1) or 
        (resid    67 and name     HB2) or 
        (resid    69 and name     HB1))   ((resid    68 and name      HN))      2.823 2.823 0.706 ! 2.70851 B-0132-0390 B-0133-0390 

assign ((resid    67 and name    HD1#) or 
        (resid    67 and name    HD2#))   ((resid    68 and name      HN))      3.990 3.990 0.998 ! 3.8379 B-0131-0389 B-0128-0389 B-0129-0389 B-0130-0389 

assign ((resid    67 and name      HG))   ((resid    68 and name      HN))      4.448 1.112 1.112 ! 5.202 A-0316-0388 

assign ((resid    67 and name      HA) or 
        (resid    71 and name      HA))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.196 2.196 0.549 ! 3.26968 D-0502-1264 D-0504-1264 D-0503-1264 D-0505-1264 

assign ((resid    67 and name      HA) or 
        (resid    71 and name      HA))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.172 2.172 0.543 ! 3.26968 D-1234-3136 D-1235-3136 D-1236-3136 D-1237-3136 

!assign ((resid    67 and name     HB1) or 
!        (resid    67 and name     HB2) or 
!        (resid    69 and name     HB1))   ((resid    69 and name      HA))      2.823 2.823 0.706 ! 3.02636 D-0575-1345 D-0576-1345 

!assign ((resid    67 and name     HB1) or 
!        (resid    67 and name     HB2) or 
!        (resid    69 and name     HB1))   ((resid    69 and name      HA))      2.927 2.927 0.732 ! 3.02636 D-1199-3166 D-1200-3166 

!*****assign ((resid    67 and name     HB1) or 
!*****        (resid    67 and name     HB2) or 
!*****        (resid    69 and name     HB1))   ((resid    69 and name     HB1) or 
!*****                                           (resid    67 and name     HB1) or 
!*****                                           (resid    67 and name     HB2))        1.342 1.342 0.336  ! 5.67567 D-0610-1330 D-0609-1330 

!*******assign ((resid    67 and name     HB1) or 
!*******        (resid    67 and name     HB2) or 
!*******        (resid    69 and name     HB1))   ((resid    69 and name     HB2))        1.852 1.852 0.463  ! 1.76206 D-0569-1328 D-0570-1328 

!*******assign ((resid    67 and name     HB1) or 
!*******        (resid    67 and name     HB2) or 
!*******        (resid    69 and name     HB1))   ((resid    69 and name     HB2))        1.968 1.968 0.492  ! 1.76206 D-0581-1329 D-0582-1329 

assign ((resid    67 and name     HB1) or 
        (resid    67 and name     HB2) or 
        (resid    69 and name     HB1))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.675 2.675 0.669 ! 2.14153 D-0345-0932 D-0346-0932 

assign ((resid    67 and name     HB1) or 
        (resid    67 and name     HB2) or 
        (resid    69 and name     HB1))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.435 2.435 0.609 ! 2.14153 D-0573-1324 D-0574-1324 

!assign ((resid    67 and name     HB1) or 
!        (resid    67 and name     HB2) or 
!        (resid    69 and name     HB1))   ((resid    69 and name      HG))      2.587 2.587 0.647 ! 2.51521 D-0150-0668 D-0151-0668 

!assign ((resid    67 and name     HB1) or 
!        (resid    67 and name     HB2) or 
!        (resid    69 and name     HB1))   ((resid    69 and name      HG))      2.456 2.456 0.614 ! 2.51521 D-0571-1322 D-0572-1322 

assign ((resid    67 and name     HB1) or 
        (resid    67 and name     HB2) or 
        (resid    69 and name     HB1))   ((resid    69 and name      HN))      2.706 2.706 0.676 ! 2.40576 B-0013-0059 B-0012-0059 

assign ((resid    67 and name      HA) or 
        (resid    71 and name      HA))   ((resid    70 and name      HA))      4.225 4.225 1.056 ! 4.45563 D-1242-3144 D-1243-3144 

assign ((resid    67 and name     HB1) or 
        (resid    67 and name     HB2) or 
        (resid    69 and name     HB1))   ((resid    70 and name      HN))      4.448 4.448 1.112 ! 4.39037 B-0197-0622 B-0198-0622 

!assign ((resid    67 and name      HA) or 
!        (resid    71 and name      HA))   ((resid    71 and name     HB*))      2.533 2.533 0.633 ! 2.95096 D-0683-1511 D-0684-1511 

!assign ((resid    67 and name      HA) or 
!        (resid    71 and name      HA))   ((resid    71 and name     HB*))      2.689 2.689 0.672 ! 2.95096 D-1244-3140 D-1245-3140 

assign ((resid    67 and name      HA) or 
        (resid    71 and name      HA))   ((resid    69 and name     HD*) or 
                                           (resid    71 and name     HD*))      3.316 3.316 0.829 ! 1.84299 D-0397-1134 D-0398-1134 

assign ((resid    67 and name      HA) or 
        (resid    71 and name      HA))   ((resid    69 and name     HD*) or 
                                           (resid    71 and name     HD*))      3.435 3.435 0.859 ! 1.84299 D-1238-3135 D-1239-3135 

assign ((resid    67 and name      HA) or 
        (resid    71 and name      HA))   ((resid    71 and name      HG))      3.486 3.486 0.872 ! 2.69198 D-0133-0666 D-0134-0666 

assign ((resid    67 and name      HA) or 
        (resid    71 and name      HA))   ((resid    71 and name      HG))      3.294 3.294 0.824 ! 2.69198 D-1222-3133 D-1223-3133 

!assign ((resid    68 and name      HA))   ((resid    68 and name     HB1))      2.705 0.676 0.676 ! 2.551 C-0242-0277 

!assign ((resid    68 and name      HA))   ((resid    68 and name     HB2))      2.929 0.732 0.732 ! 3.048 C-0250-0278 

assign ((resid    68 and name      HA))   ((resid    68 and name     HE1))      4.934 1.234 1.234 ! 4.791 C-2523-10076 

assign ((resid    68 and name      HA))   ((resid    68 and name      HN))      3.286 0.822 0.822 ! 2.974 A-0320-0384 

!assign ((resid    68 and name     HB1))   ((resid    68 and name      HA))      2.423 0.606 0.606 ! 2.551 C-2264-2898 

!*****assign ((resid    68 and name     HB1))   ((resid    68 and name     HB2))       1.767 0.442 0.442  ! 1.763 C-0249-0265 

assign ((resid    68 and name     HB1))   ((resid    68 and name     HE1))      4.615 1.154 1.154 ! 4.805 C-2524-10070 

assign ((resid    68 and name     HB1))   ((resid    68 and name      HN))      3.498 0.875 0.875 ! 3.684 A-0317-0386 

!assign ((resid    68 and name     HB2))   ((resid    68 and name      HA))      2.919 0.730 0.730 ! 3.048 C-2265-2899 

!*****assign ((resid    68 and name     HB2))   ((resid    68 and name     HB1))       1.780 0.445 0.445  ! 1.763 C-0245-0264 

assign ((resid    68 and name     HB2))   ((resid    68 and name     HE1))      4.232 1.058 1.058 ! 5.34 C-2526-10071 

assign ((resid    68 and name     HB2))   ((resid    68 and name      HN))      2.885 0.721 0.721 ! 2.456 A-0318-0387 

assign ((resid    68 and name     HE1))   ((resid    68 and name      HA))      4.329 1.082 1.082 ! 4.791 C-2266-2903 

assign ((resid    68 and name     HE1))   ((resid    68 and name     HB1))      4.481 1.120 1.120 ! 4.805 C-0241-0275 

assign ((resid    68 and name     HE1))   ((resid    68 and name     HB2))      4.340 1.085 1.085 ! 5.34 C-0253-0276 

assign ((resid    68 and name     HE1))   ((resid    68 and name      HN))      4.160 1.040 1.040 ! 6.112 A-0322-0392 

assign ((resid    68 and name      HA))   ((resid    69 and name      HN))      2.117 0.529 0.529 ! 2.281 A-0056-0056 

assign ((resid    68 and name     HB1))   ((resid    69 and name      HN))      3.546 0.886 0.886 ! 3.262 A-0053-0057 

assign ((resid    68 and name     HB1))   ((resid    70 and name    HG2#))      4.050 4.050 1.012 ! 3.383 C-0243-0270 

assign ((resid    68 and name     HB1))   ((resid    70 and name    HG2#))      4.050 4.050 1.012 ! 3.383 C-1392-1807 

!assign ((resid    69 and name      HA))   ((resid    69 and name     HB2))      2.628 0.657 0.657 ! 2.453 C-0988-1346 

!assign ((resid    69 and name      HA))   ((resid    69 and name    HD1#) or 
!                                           (resid    69 and name    HD2#) or
!                                           (resid    71 and name    HD*))        3.589 3.589 0.897  ! 2.00984 C-0755-0945 

assign ((resid    69 and name      HA))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.268 2.268 0.567 ! 2.00961 D-0530-1265 D-0531-1265 

assign ((resid    69 and name      HA))   ((resid    69 and name      HG))      3.193 0.798 0.798 ! 3.182 C-0597-0674 

!assign ((resid    69 and name     HB2))   ((resid    69 and name      HA))      2.492 0.623 0.623 ! 2.453 C-2439-3167 

assign ((resid    69 and name     HB2))   ((resid    69 and name    HD1#) or 
                                           (resid    69 and name    HD2#) or 
                                           (resid    71 and name     HD*))      2.773 2.773 0.693 ! 2.08444 C-0757-0933 

!assign ((resid    69 and name     HB2))   ((resid    69 and name      HG))      2.371 0.593 0.593 ! 3.04 C-0601-0669 

assign ((resid    69 and name     HB2))   ((resid    69 and name      HN))      3.117 0.779 0.779 ! 2.996 A-0057-0060 

assign ((resid    71 and name     HD*) or 
        (resid    69 and name    HD1#) or 
        (resid    69 and name    HD2#))   ((resid    69 and name      HA))      3.163 3.163 0.791 ! 2.00984 C-2437-3163 

assign ((resid    71 and name     HD*) or 
        (resid    69 and name    HD1#) or 
        (resid    69 and name    HD2#))   ((resid    69 and name     HB2))      2.556 2.556 0.639 ! 2.08444 C-0986-1325 

!******assign ((resid    69 and name    HD1#) or 
!******        (resid    69 and name    HD2#) or 
!******        (resid    71 and name    HD*))   ((resid    69 and name    HD2#) or 
!******                                           (resid    69 and name    HD1#) or
!******                                           (resid    71 and name    HD*))        1.939 1.939 0.485  ! 1.84768 D-0343-0931 D-0344-0931 

!******assign ((resid    69 and name    HD1#) or 
!******        (resid    69 and name    HD2#) or
!******        (resid    71 and name    HD*))    ((resid    69 and name    HD2#) or 
!******                                           (resid    69 and name    HD1#) or 
!******                                           (resid    71 and name    HD*))        1.798 1.798 0.450  ! 1.84768 D-0524-1251 D-0525-1251 

!assign ((resid    69 and name    HD1#) or 
!        (resid    69 and name    HD2#) or 
!        (resid    71 and name     HD*))   ((resid    69 and name      HG))      2.262 2.262 0.566 ! 1.87951 D-0148-0667 D-0149-0667 

assign ((resid    69 and name      HG))   ((resid    69 and name      HA))      3.104 0.776 0.776 ! 3.182 C-2434-3162 

!assign ((resid    69 and name      HG))   ((resid    69 and name     HB2))      2.442 0.611 0.611 ! 3.04 C-0987-1323 

!assign ((resid    69 and name      HG))   ((resid    69 and name    HD1#) or 
!                                           (resid    69 and name    HD2#) or 
!                                           (resid    71 and name     HD*))      2.308 2.308 0.577 ! 1.87951 D-0526-1250 D-0527-1250 

assign ((resid    69 and name      HA))   ((resid    70 and name      HA))      4.484 1.121 1.121 ! 4.414 C-2438-3170 

assign ((resid    69 and name      HA))   ((resid    70 and name    HG2#))      3.913 3.913 0.978 ! 3.923 C-1387-1822 

assign ((resid    69 and name      HA))   ((resid    70 and name    HG2#))      3.824 3.824 0.956 ! 3.923 C-2435-3169 

assign ((resid    69 and name      HA))   ((resid    70 and name      HN))      2.083 0.521 0.521 ! 2.163 A-0519-0618 

assign ((resid    69 and name     HB2))   ((resid    70 and name      HA))      4.939 1.235 1.235 ! 5.841 C-0989-1337 

assign ((resid    69 and name     HB2))   ((resid    70 and name      HN))      4.217 1.054 1.054 ! 4.396 A-0520-0623 

assign ((resid    69 and name    HD1#) or 
        (resid    69 and name    HD2#) or 
        (resid    71 and name     HD*))   ((resid    70 and name      HA))      4.959 4.959 1.240 ! 4.19684 C-0748-0936 

assign ((resid    69 and name    HD1#) or 
        (resid    69 and name    HD2#) or 
        (resid    71 and name     HD*))   ((resid    70 and name      HA))      4.263 4.263 1.066 ! 4.19684 C-1570-2048 

assign ((resid    69 and name    HD1#) or 
        (resid    69 and name    HD2#) or 
        (resid    71 and name     HD*))   ((resid    70 and name      HA))      4.325 4.325 1.081 ! 4.03074 D-0522-1256 D-0523-1256 

assign ((resid    69 and name      HG))   ((resid    70 and name      HA))      4.135 1.034 1.034 ! 3.823 C-0596-0671 

assign ((resid    69 and name      HG))   ((resid    70 and name      HA))      4.277 1.069 1.069 ! 3.823 C-1576-2046 

assign ((resid    69 and name    HD1#) or 
        (resid    69 and name    HD2#) or 
        (resid    71 and name     HD*))   ((resid    71 and name     HB*))      3.035 3.035 0.759 ! 2.512 D-0687-1509 D-0688-1509 

assign ((resid    69 and name    HD1#) or 
        (resid    69 and name    HD2#) or 
        (resid    71 and name     HD*))   ((resid    71 and name     HB*))      3.200 3.200 0.800 ! 2.2584 D-0512-1252 D-0513-1252 

assign ((resid    69 and name    HD1#) or 
        (resid    69 and name    HD2#) or 
        (resid    71 and name     HD*))   ((resid    71 and name     HB*))      3.115 3.115 0.779 ! 2.2584 D-0685-1508 D-0686-1508 

!assign ((resid    69 and name    HD1#) or 
!        (resid    69 and name    HD2#) or 
!        (resid    71 and name     HD*))   ((resid    71 and name      HG))      2.643 2.643 0.661 ! 2.08736 D-0131-0660 D-0132-0660 

!assign ((resid    69 and name    HD1#) or 
!        (resid    69 and name    HD2#) or 
!        (resid    71 and name     HD*))   ((resid    71 and name      HG))      2.684 2.684 0.671 ! 2.08736 D-0518-1249 D-0519-1249 

!assign ((resid    70 and name      HA))   ((resid    70 and name      HB))      2.888 0.722 0.722 ! 3.015 C-2197-2768 

assign ((resid    70 and name      HA))   ((resid    70 and name    HG2#))      2.473 2.473 0.618 ! 2.393 C-1389-1815 

assign ((resid    70 and name      HA))   ((resid    70 and name      HN))      3.122 0.780 0.780 ! 2.983 A-0517-0626 

!assign ((resid    70 and name      HB))   ((resid    70 and name      HA))      2.803 0.701 0.701 ! 3.015 C-1577-2054 

!assign ((resid    70 and name      HB))   ((resid    70 and name    HG2#))      2.381 2.381 0.595 ! 2.013 C-1393-1819 

assign ((resid    70 and name      HB))   ((resid    70 and name      HN))      3.070 0.767 0.767 ! 2.542 A-0515-0617 

assign ((resid    70 and name    HG2#))   ((resid    70 and name      HA))      2.331 2.331 0.583 ! 2.393 C-1574-2053 

!*******assign ((resid    70 and name    HG2#))   ((resid    70 and name      HB))       2.322 0.581 0.581  ! 2.013 C-2198-2767 

assign ((resid    70 and name    HG2#))   ((resid    70 and name      HN))      2.932 2.932 0.733 ! 2.662 A-0516-0625 

assign ((resid    70 and name      HA))   ((resid    71 and name      HG))      4.385 1.096 1.096 ! 6.343 C-0583-0662 

assign ((resid    70 and name      HA))   ((resid    71 and name      HG))      4.151 1.038 1.038 ! 6.343 C-1572-2045 

assign ((resid    70 and name      HA))   ((resid    71 and name      HN))      2.036 0.509 0.509 ! 2.271 A-0118-0150 

assign ((resid    70 and name      HB))   ((resid    71 and name      HN))      3.053 0.763 0.763 ! 4.094 A-0117-0142 

assign ((resid    70 and name    HG1#))   ((resid    71 and name      HN))      2.988 2.988 0.747 ! 2.582 A-0119-0149 

assign ((resid    70 and name    HG1#))   ((resid    72 and name      HA))      4.488 4.488 1.122 ! 4.291 C-2172-2779 

!assign ((resid    71 and name      HA))   ((resid    71 and name     HB*))      2.596 2.596 0.649 ! 2.825 C-1123-1512 

assign ((resid    71 and name      HA))   ((resid    71 and name      HN))      2.911 0.728 0.728 ! 2.966 A-0120-0143 

!assign ((resid    71 and name     HB*))   ((resid    71 and name      HA))      2.488 2.488 0.622 ! 2.825 C-2443-3141 

assign ((resid    71 and name     HB*))   ((resid    69 and name     HD*) or 
                                           (resid    71 and name     HD*))      2.685 2.685 0.671 ! 3.145 C-0870-1129 

assign ((resid    71 and name     HB*) or 
        (resid    73 and name     HB*))   ((resid    71 and name      HN))      3.169 3.169 0.792 ! 3.35344 B-0059-0148 B-0058-0148 

assign ((resid    71 and name     HB*))   ((resid    69 and name     HD*) or 
                                           (resid    71 and name     HD*))      2.540 2.540 0.635 ! 2.468 C-0871-1128 

assign ((resid    71 and name     HB*) or 
        (resid    73 and name     HB*))   ((resid    71 and name      HN))      2.545 2.545 0.636 ! 2.21473 B-0060-0147 B-0061-0147 

assign ((resid    69 and name     HD*) or 
        (resid    71 and name     HD*))   ((resid    71 and name     HB*))      2.469 2.469 0.617 ! 2.468 C-1122-1506 

!assign ((resid    69 and name    HD*) or
!         (resid    71 and name    HD*))   ((resid    71 and name      HG))       3.143 3.143 0.786  ! 2.127 C-0584-0659 

assign ((resid    71 and name      HG) or 
        (resid    73 and name      HG))   ((resid    71 and name      HN))      2.912 2.912 0.728 ! 4.56867 B-0056-0144 B-0055-0144 

assign ((resid    71 and name      HA))   ((resid    72 and name      HA))      4.875 1.219 1.219 ! 4.408 C-2084-2780 

assign ((resid    71 and name      HA))   ((resid    72 and name      HN))      1.940 0.485 0.485 ! 2.117 A-0091-0099 

assign ((resid    71 and name     HB*) or 
        (resid    73 and name     HB*))   ((resid    72 and name      HN))      3.050 3.050 0.762 ! 3.36181 B-0041-0107 B-0040-0107 

assign ((resid    71 and name     HB*) or 
        (resid    73 and name     HB*))   ((resid    72 and name      HN))      3.929 3.929 0.982 ! 4.22559 B-0025-0106 B-0024-0106 

assign ((resid    71 and name     HB*) or 
        (resid    73 and name     HB*))   ((resid    73 and name      HN))      2.653 2.653 0.663 ! 2.13802 B-0018-0070 B-0019-0070 

assign ((resid    69 and name     HD*) or 
        (resid    71 and name     HD*) or 
        (resid    73 and name     HD*))   ((resid    73 and name      HA))      3.939 3.939 0.985 ! 2.15444 D-1153-2929 D-1154-2929 

!******assign ((resid    69 and name    HD*) or 
!******        (resid    71 and name    HD*) or 
!******        (resid    73 and name    HD*))   ((resid    73 and name    HD*) or 
!******                                           (resid    69 and name    HD*) or
!******                                           (resid    71 and name    HD*))        0.636 0.636 0.159  ! 3.995 D-0400-1114 D-0399-1114 

assign ((resid    71 and name     HB*) or 
        (resid    73 and name     HB*) or 
        (resid    73 and name     HB*))   ((resid    74 and name      HN))      3.400 3.400 0.850 ! 2.82334 B-0085-0231 B-0083-0231 B-0084-0231 

!assign ((resid    72 and name      HA))   ((resid    72 and name     HB*))      2.948 2.948 0.737 ! 2.921 C-0163-0188 

!assign ((resid    72 and name      HA))   ((resid    72 and name     HB*))      2.890 2.890 0.723 ! 2.255 C-0159-0187 

assign ((resid    72 and name      HA))   ((resid    72 and name     HD1) or 
                                           (resid    72 and name     HD2))      3.175 3.175 0.794 ! 4.49087 C-1086-1433 

assign ((resid    72 and name      HA))   ((resid    72 and name     HG1) or 
                                           (resid    72 and name     HG2))      2.971 2.971 0.743 ! 2.94036 C-0610-0722 

assign ((resid    72 and name      HA))   ((resid    72 and name      HN))      2.825 0.706 0.706 ! 2.971 A-0092-0098 

!assign ((resid    72 and name     HB*))   ((resid    72 and name      HA))      2.779 2.779 0.695 ! 2.921 C-2170-2775 

!*****assign ((resid    72 and name     HB1))   ((resid    72 and name     HB2))       1.770 0.443 0.443  ! 1.763 C-0160-0180 

assign ((resid    72 and name     HB*))   ((resid    72 and name     HD1) or 
                                           (resid    72 and name     HD2))      2.687 2.687 0.672 ! 2.89889 C-1085-1430 

!assign ((resid    72 and name     HB*))   ((resid    72 and name     HG1) or 
!                                           (resid    72 and name     HG2))      1.827 1.827 0.457 ! 2.46424 C-0611-0720 

assign ((resid    72 and name     HB*))   ((resid    72 and name      HN))      3.038 3.038 0.759 ! 2.342 A-0089-0101 

!assign ((resid    72 and name     HB*))   ((resid    72 and name      HA))      2.767 2.767 0.692 ! 2.255 C-2169-2774 

!*****assign ((resid    72 and name     HB2))   ((resid    72 and name     HB1))       1.720 0.430 0.430  ! 1.763 C-0162-0181 

assign ((resid    72 and name     HB*))   ((resid    72 and name     HD1) or 
                                           (resid    72 and name     HD2))      2.723 2.723 0.681 ! 2.9322 C-1084-1429 

assign ((resid    72 and name     HD1) or 
        (resid    72 and name     HD2))   ((resid    72 and name     HB*))      2.792 2.792 0.698 ! 2.89889 C-0165-0185 

assign ((resid    72 and name     HD1) or 
        (resid    72 and name     HD2))   ((resid    72 and name     HB*))      2.756 2.756 0.689 ! 2.9322 C-0161-0184 

assign ((resid    72 and name     HG1) or 
        (resid    72 and name     HG2))   ((resid    72 and name      HA))      2.614 2.614 0.653 ! 2.94036 C-2171-2776 

!assign ((resid    72 and name     HG1) or 
!        (resid    72 and name     HG2))   ((resid    72 and name     HB*))      1.723 1.723 0.431 ! 2.46424 C-0164-0183 

!assign ((resid    72 and name     HG1) or 
!        (resid    72 and name     HG2))   ((resid    72 and name     HB2))        1.722 1.722 0.430  ! 2.24638 C-0158-0182 

!assign ((resid    72 and name     HG1) or 
!        (resid    72 and name     HG2))   ((resid    72 and name     HD1) or 
!                                           (resid    72 and name     HD2))      2.146 2.146 0.536 ! 1.92699 C-1087-1431 

assign ((resid    72 and name      HA))   ((resid    73 and name     HB*))      4.488 4.488 1.122 ! 4.523 C-2173-2778 

assign ((resid    72 and name      HA))   ((resid    73 and name      HN))      2.054 0.513 0.513 ! 2.409 A-0061-0064 

assign ((resid    72 and name     HB*))   ((resid    73 and name      HN))      3.929 3.929 0.982 ! 4.678 A-0059-0067 

!assign ((resid    73 and name      HA))   ((resid    73 and name     HB*))      3.033 3.033 0.758 ! 2.661 C-1177-1556 

!assign ((resid    73 and name      HA))   ((resid    73 and name     HB*))      2.935 2.935 0.734 ! 2.955 C-1175-1555 

assign ((resid    73 and name      HA))   ((resid    73 and name     HD*))      4.245 4.245 1.061 ! 2.155 C-0872-1116 

assign ((resid    73 and name      HA))   ((resid    73 and name     HD*))      2.368 2.368 0.592 ! 3.843 C-1045-1369 

assign ((resid    73 and name      HA))   ((resid    73 and name      HG) or 
                                           (resid    74 and name     HG1) or 
                                           (resid    74 and name     HG2))      3.505 3.505 0.876 ! 2.84694 D-0157-0727 D-0156-0727 

assign ((resid    73 and name      HA))   ((resid    73 and name      HN))      2.942 0.736 0.736 ! 2.957 A-0060-0065 

!assign ((resid    73 and name     HB*))   ((resid    73 and name      HA))      2.498 2.498 0.625 ! 2.661 C-2276-2931 

!*****assign ((resid    73 and name     HB2))   ((resid    73 and name     HB1))       1.219 0.305 0.305  ! 1.763 C-1176-1553 

!assign ((resid    73 and name     HB2))   ((resid    73 and name      HG) or 
!                                           (resid    74 and name     HG1) or 
!                                           (resid    74 and name     HG2))        1.596 1.596 0.399  ! 2.96117 D-0159-0725 D-0158-0725 

assign ((resid    73 and name     HD*))   ((resid    73 and name      HA))      2.358 2.358 0.590 ! 3.843 C-2275-2930 

!*****assign ((resid    73 and name    HD*))   ((resid    73 and name    HD*))       1.799 1.799 0.450  ! 2.069 C-0873-1115 

assign ((resid    73 and name     HD*))   ((resid    73 and name      HN))      4.364 4.364 1.091 ! 3.633 A-0058-0069 

assign ((resid    73 and name      HG) or 
        (resid    74 and name     HG1) or 
        (resid    74 and name     HG2))   ((resid    73 and name      HA))      3.430 3.430 0.858 ! 2.84694 D-1152-2928 D-1151-2928 

!assign ((resid    73 and name      HG) or 
!        (resid    74 and name     HG1) or 
!        (resid    74 and name     HG2))   ((resid    73 and name     HB1))        1.785 1.785 0.446  ! 2.27896 D-0702-1551 D-0701-1551 

!*****assign ((resid    73 and name      HG) or 
!*****        (resid    74 and name     HG1) or 
!*****        (resid    74 and name     HG2))   ((resid    73 and name     HB2))        1.729 1.729 0.432  ! 2.96117 D-0700-1550 D-0699-1550 

assign ((resid    73 and name      HG) or 
        (resid    74 and name     HG1) or 
        (resid    74 and name     HG2))   ((resid    73 and name      HN))      2.966 2.966 0.742 ! 4.37771 B-0016-0068 B-0017-0068 

assign ((resid    73 and name      HA))   ((resid    74 and name      HN))      2.190 0.547 0.547 ! 2.116 A-0184-0228 

assign ((resid    73 and name      HG) or 
        (resid    74 and name     HG1) or 
        (resid    74 and name     HG2))   ((resid    74 and name      HA))      3.601 3.601 0.900 ! 2.18919 D-0174-0726 D-0173-0726 

!assign ((resid    73 and name      HG) or 
!        (resid    74 and name     HG1) or 
!        (resid    74 and name     HG2))   ((resid    74 and name     HB*))      1.761 1.761 0.440 ! 2.22843 D-0076-0262 D-0075-0262 

!assign ((resid    73 and name      HG) or 
!        (resid    74 and name     HG1) or 
!        (resid    74 and name     HG2))   ((resid    74 and name     HB*))      1.729 1.729 0.432 ! 2.43693 D-0068-0261 D-0067-0261 

!assign ((resid    73 and name      HG) or 
!        (resid    74 and name     HG1) or 
!        (resid    74 and name     HG2))   ((resid    74 and name     HD1) or 
!                                           (resid    74 and name     HD2))      2.765 2.765 0.691 ! 2.00141 D-0172-0724 D-0171-0724 

!assign ((resid    73 and name      HG) or 
!        (resid    74 and name     HG1) or 
!        (resid    74 and name     HG2))   ((resid    74 and name     HD1) or 
!                                           (resid    74 and name     HD2))      2.283 2.283 0.571 ! 2.00141 D-0646-1435 D-0645-1435 

!*****assign ((resid    73 and name      HG) or 
!*****        (resid    74 and name     HG1) or 
!*****        (resid    74 and name     HG2))   ((resid    74 and name     HG1) or 
!*****                                           (resid    74 and name     HG2) or 
!*****                                           (resid    73 and name      HG))        0.883 0.883 0.221  ! 7.17015 D-0154-0723 D-0155-0723 

assign ((resid    73 and name      HG) or 
        (resid    74 and name     HG1) or 
        (resid    74 and name     HG2))   ((resid    74 and name      HN))      3.678 3.678 0.919 ! 3.33688 B-0082-0230 B-0081-0230 

assign ((resid    74 and name      HA))   ((resid    74 and name     HD1) or 
                                           (resid    74 and name     HD2))      4.258 4.258 1.065 ! 3.7758 C-1101-1436 

assign ((resid    74 and name     HB*) or 
        (resid    74 and name     HB*))   ((resid    74 and name      HN))      3.070 3.070 0.767 ! 2.35244 B-0219-0229 B-0220-0229 

!assign ((resid    74 and name     HB*))   ((resid    74 and name      HA))      3.093 3.093 0.773 ! 2.675 C-2043-2616 

assign ((resid    74 and name     HD1) or 
        (resid    74 and name     HD2))   ((resid    74 and name     HB*))      4.004 4.004 1.001 ! 2.12172 C-0254-0263 

assign ((resid    74 and name      HA))   ((resid    75 and name     HA1) or 
                                           (resid    75 and name     HA2))      4.466 4.466 1.117 ! 3.83294 C-0930-1170 

assign ((resid    74 and name      HA))   ((resid    75 and name      HN))      2.626 0.656 0.656 ! 2.135 A-0459-0554 

assign ((resid    75 and name     HA1) or 
        (resid    75 and name     HA2))   ((resid    75 and name      HN))      2.588 2.588 0.647 ! 2.34023 A-0460-0553 

!assign ((resid    75 and name     HA1) or 
!        (resid    75 and name     HA2))   ((resid    76 and name      HN))        4.209 4.209 1.052  ! 1.98788 A-0410-0501 

!assign ((resid    76 and name     HA1))   ((resid    76 and name      HN))       3.508 0.877 0.877  ! 2.838 A-0411-0500 

! Dihedral angles
  !!   M1
  !!   Q2
  !!   I3
 assign (resid   2 and name c ) (resid   3 and name n )
        (resid   3 and name ca) (resid   3 and name c )     1 -137.80  0.00   2
  !!   F4
 assign (resid   3 and name c ) (resid   4 and name n )
        (resid   4 and name ca) (resid   4 and name c )     1 -111.70  0.00   2
  !!   V5
 assign (resid   4 and name c ) (resid   5 and name n )
        (resid   5 and name ca) (resid   5 and name c )     1 -127.80  0.00   2
  !!   K6
 assign (resid   5 and name c ) (resid   6 and name n )
        (resid   6 and name ca) (resid   6 and name c )     1 -100.50  0.00   2
  !!   T7
 assign (resid   6 and name c ) (resid   7 and name n )
        (resid   7 and name ca) (resid   7 and name c )     1 -95.60  0.00   2
  !!   L8
 assign (resid   7 and name c ) (resid   8 and name n )
        (resid   8 and name ca) (resid   8 and name c )     1 -60.70  0.00   2
  !!   T9
 assign (resid   8 and name c ) (resid   9 and name n )
        (resid   9 and name ca) (resid   9 and name c )     1 -96.40  0.00   2
  !!   G10
  !!   K11
 assign (resid  10 and name c ) (resid  11 and name n )
        (resid  11 and name ca) (resid  11 and name c )     1 -84.70  0.00   2
  !!   T12
 assign (resid  11 and name c ) (resid  12 and name n )
        (resid  12 and name ca) (resid  12 and name c )     1 -113.80  0.00   2
  !!   I13
 assign (resid  12 and name c ) (resid  13 and name n )
        (resid  13 and name ca) (resid  13 and name c )     1 -109.10  0.00   2
  !!   T14
 assign (resid  13 and name c ) (resid  14 and name n )
        (resid  14 and name ca) (resid  14 and name c )     1 -102.10  0.00   2
  !!   L15
 assign (resid  14 and name c ) (resid  15 and name n )
        (resid  15 and name ca) (resid  15 and name c )     1 -123.50  0.00   2
  !!   E16
 assign (resid  15 and name c ) (resid  16 and name n )
        (resid  16 and name ca) (resid  16 and name c )     1 -106.50  0.00   2
  !!   V17
 assign (resid  16 and name c ) (resid  17 and name n )
        (resid  17 and name ca) (resid  17 and name c )     1 -140.30  0.00   2
  !!   E18
 assign (resid  17 and name c ) (resid  18 and name n )
        (resid  18 and name ca) (resid  18 and name c )     1 -112.30  0.00   2
  !!   P19
  !!   S20
 assign (resid  19 and name c ) (resid  20 and name n )
        (resid  20 and name ca) (resid  20 and name c )     1 -84.30  0.00   2
  !!   D21
 assign (resid  20 and name c ) (resid  21 and name n )
        (resid  21 and name ca) (resid  21 and name c )     1 -71.10  0.00   2
  !!   T22
 assign (resid  21 and name c ) (resid  22 and name n )
        (resid  22 and name ca) (resid  22 and name c )     1 -82.80  0.00   2
  !!   I23
 assign (resid  22 and name c ) (resid  23 and name n )
        (resid  23 and name ca) (resid  23 and name c )     1 -60.00  0.00   2
  !!   E24
  !!   N25
 assign (resid  24 and name c ) (resid  25 and name n )
        (resid  25 and name ca) (resid  25 and name c )     1 -70.60  0.00   2
  !!   V26
 assign (resid  25 and name c ) (resid  26 and name n )
        (resid  26 and name ca) (resid  26 and name c )     1 -70.90  0.00   2
  !!   K27
 assign (resid  26 and name c ) (resid  27 and name n )
        (resid  27 and name ca) (resid  27 and name c )     1 -63.30  0.00   2
  !!   A28
 assign (resid  27 and name c ) (resid  28 and name n )
        (resid  28 and name ca) (resid  28 and name c )     1 -61.20  0.00   2
  !!   K29
 assign (resid  28 and name c ) (resid  29 and name n )
        (resid  29 and name ca) (resid  29 and name c )     1 -68.60  0.00   2
  !!   I30
 assign (resid  29 and name c ) (resid  30 and name n )
        (resid  30 and name ca) (resid  30 and name c )     1 -68.20  0.00   2
  !!   Q31
 assign (resid  30 and name c ) (resid  31 and name n )
        (resid  31 and name ca) (resid  31 and name c )     1 -60.00  0.00   2
  !!   D32
 assign (resid  31 and name c ) (resid  32 and name n )
        (resid  32 and name ca) (resid  32 and name c )     1 -57.50  0.00   2
  !!   K33
 assign (resid  32 and name c ) (resid  33 and name n )
        (resid  33 and name ca) (resid  33 and name c )     1 -83.90  0.00   2
  !!   E34
 assign (resid  33 and name c ) (resid  34 and name n )
        (resid  34 and name ca) (resid  34 and name c )     1 -108.30  0.00   2
  !!   G35
  !!   I36
 assign (resid  35 and name c ) (resid  36 and name n )
        (resid  36 and name ca) (resid  36 and name c )     1 -91.30  0.00   2
  !!   P37
  !!   P38
 assign (resid  37 and name c ) (resid  38 and name n )
        (resid  38 and name ca) (resid  38 and name c )     1 -57.20  0.00   2
  !!   D39
 assign (resid  38 and name c ) (resid  39 and name n )
        (resid  39 and name ca) (resid  39 and name c )     1 -69.10  0.00   2
  !!   Q40
 assign (resid  39 and name c ) (resid  40 and name n )
        (resid  40 and name ca) (resid  40 and name c )     1 -101.20  0.00   2
  !!   Q41
 assign (resid  40 and name c ) (resid  41 and name n )
        (resid  41 and name ca) (resid  41 and name c )     1 -94.30  0.00   2
  !!   R42
 assign (resid  41 and name c ) (resid  42 and name n )
        (resid  42 and name ca) (resid  42 and name c )     1 -130.20  0.00   2
  !!   L43
 assign (resid  42 and name c ) (resid  43 and name n )
        (resid  43 and name ca) (resid  43 and name c )     1 -104.80  0.00   2
  !!   I44
 assign (resid  43 and name c ) (resid  44 and name n )
        (resid  44 and name ca) (resid  44 and name c )     1 -121.40  0.00   2
  !!   F45
 assign (resid  44 and name c ) (resid  45 and name n )
        (resid  45 and name ca) (resid  45 and name c )     1 -140.80  0.00   2
  !!   A46
 assign (resid  45 and name c ) (resid  46 and name n )
        (resid  46 and name ca) (resid  46 and name c )     1 43.40  0.00   2
  !!   G47
  !!   K48
 assign (resid  47 and name c ) (resid  48 and name n )
        (resid  48 and name ca) (resid  48 and name c )     1 -110.70  0.00   2
  !!   Q49
 assign (resid  48 and name c ) (resid  49 and name n )
        (resid  49 and name ca) (resid  49 and name c )     1 -78.70  0.00   2
  !!   L50
 assign (resid  49 and name c ) (resid  50 and name n )
        (resid  50 and name ca) (resid  50 and name c )     1 -83.70  0.00   2
  !!   E51
 assign (resid  50 and name c ) (resid  51 and name n )
        (resid  51 and name ca) (resid  51 and name c )     1 -93.40  0.00   2
  !!   D52
 assign (resid  51 and name c ) (resid  52 and name n )
        (resid  52 and name ca) (resid  52 and name c )     1 -47.00  0.00   2
  !!   G53
 assign (resid  52 and name c ) (resid  53 and name n )
        (resid  53 and name ca) (resid  53 and name c )     1 -82.90  0.00   2
  !!   R54
 assign (resid  53 and name c ) (resid  54 and name n )
        (resid  54 and name ca) (resid  54 and name c )     1 -99.40  0.00   2
  !!   T55
 assign (resid  54 and name c ) (resid  55 and name n )
        (resid  55 and name ca) (resid  55 and name c )     1 -102.00  0.00   2
  !!   L56
 assign (resid  55 and name c ) (resid  56 and name n )
        (resid  56 and name ca) (resid  56 and name c )     1 -53.00  0.00   2
  !!   S57
 assign (resid  56 and name c ) (resid  57 and name n )
        (resid  57 and name ca) (resid  57 and name c )     1 -56.40  0.00   2
  !!   D58
 assign (resid  57 and name c ) (resid  58 and name n )
        (resid  58 and name ca) (resid  58 and name c )     1 -59.90  0.00   2
  !!   Y59
 assign (resid  58 and name c ) (resid  59 and name n )
        (resid  59 and name ca) (resid  59 and name c )     1 -100.50  0.00   2
  !!   N60
 assign (resid  59 and name c ) (resid  60 and name n )
        (resid  60 and name ca) (resid  60 and name c )     1 50.40  0.00   2
  !!   I61
 assign (resid  60 and name c ) (resid  61 and name n )
        (resid  61 and name ca) (resid  61 and name c )     1 -81.50  0.00   2
  !!   Q62
 assign (resid  61 and name c ) (resid  62 and name n )
        (resid  62 and name ca) (resid  62 and name c )     1 -105.80  0.00   2
  !!   K63
 assign (resid  62 and name c ) (resid  63 and name n )
        (resid  63 and name ca) (resid  63 and name c )     1 -45.70  0.00   2
  !!   E64
 assign (resid  63 and name c ) (resid  64 and name n )
        (resid  64 and name ca) (resid  64 and name c )     1 64.20  0.00   2
  !!   S65
 assign (resid  64 and name c ) (resid  65 and name n )
        (resid  65 and name ca) (resid  65 and name c )     1 -71.10  0.00   2
  !!   T66
 assign (resid  65 and name c ) (resid  66 and name n )
        (resid  66 and name ca) (resid  66 and name c )     1 -107.80  0.00   2
  !!   L67
 assign (resid  66 and name c ) (resid  67 and name n )
        (resid  67 and name ca) (resid  67 and name c )     1 -102.60  0.00   2
  !!   H68
 assign (resid  67 and name c ) (resid  68 and name n )
        (resid  68 and name ca) (resid  68 and name c )     1 -108.80  0.00   2
  !!   L69
 assign (resid  68 and name c ) (resid  69 and name n )
        (resid  69 and name ca) (resid  69 and name c )     1 -107.30  0.00   2
  !!   V70
 assign (resid  69 and name c ) (resid  70 and name n )
        (resid  70 and name ca) (resid  70 and name c )     1 -124.80  0.00   2
  !!   L71
 assign (resid  70 and name c ) (resid  71 and name n )
        (resid  71 and name ca) (resid  71 and name c )     1 -94.00  0.00   2
  !!   R72
  !!   L73
  !!   R74
  !!   G75
  !!   G76

!  HBDB/3JNC
assign (acc and resi  2 and name O) (don and resi 64 and name HN) -0.798

assign (acc and resi  3 and name O) (don and resi 15 and name HN) -0.574

assign (acc and resi  4 and name O) (don and resi 67 and name HN) -0.625

assign (acc and resi  5 and name O) (don and resi 13 and name HN) -0.695

assign (acc and resi  6 and name O) (don and resi 69 and name HN) -0.516

assign (acc and resi 11 and name O) (don and resi  7 and name HN) -0.547

assign (acc and resi 13 and name O) (don and resi  5 and name HN)  0.000 ! 3JNC inactive

assign (acc and resi 15 and name O) (don and resi  3 and name HN) -0.426

assign (acc and resi 17 and name O) (don and resi  1 and name HN)  0.000 ! 3JNC inactive

assign (acc and resi 19 and name O) (don and resi 57 and name HN) -0.378

assign (acc and resi 21 and name O) (don and resi 56 and name HN) -0.477

assign (acc and resi 22 and name O) (don and resi 26 and name HN) -0.265

assign (acc and resi 23 and name O) (don and resi 27 and name HN) -0.493

assign (acc and resi 24 and name O) (don and resi 28 and name HN) -0.243

assign (acc and resi 25 and name O) (don and resi 29 and name HN) -0.247 

assign (acc and resi 26 and name O) (don and resi 30 and name HN) -0.360 

assign (acc and resi 27 and name O) (don and resi 31 and name HN) -0.379

assign (acc and resi 28 and name O) (don and resi 32 and name HN) -0.276

assign (acc and resi 29 and name O) (don and resi 33 and name HN) -0.176

assign (acc and resi 30 and name O) (don and resi 34 and name HN) -0.654

assign (acc and resi 31 and name O) (don and resi 35 and name HN) -0.194

assign (acc and resi 37 and name O) (don and resi 40 and name HN)  0.000 ! 3JNC inactive

assign (acc and resi 38 and name O) (don and resi 41 and name HN)  0.000 ! 3JNC inactive

assign (acc and resi 40 and name O) (don and resi 72 and name HN)  0.000 ! 3JNC inactive

assign (acc and resi 42 and name O) (don and resi 70 and name HN) -0.557

assign (acc and resi 43 and name O) (don and resi 50 and name HN) -0.595

assign (acc and resi 44 and name O) (don and resi 68 and name HN) -0.611

assign (acc and resi 45 and name O) (don and resi 48 and name HN)  0.000  ! 3JNC inactive

assign (acc and resi 48 and name O) (don and resi 45 and name HN) -0.486

assign (acc and resi 51 and name O) (don and resi 54 and name HN)  0.000  ! 3JNC inactive

assign (acc and resi 54 and name O) (don and resi 23 and name HN) -0.541

assign (acc and resi 57 and name O) (don and resi 60 and name HN)  0.000  ! 3JNC inactive

assign (acc and resi 62 and name O) (don and resi 65 and name HN) -0.147

assign (acc and resi 65 and name O) (don and resi  4 and name HN) -0.570

assign (acc and resi 67 and name O) (don and resi  6 and name HN) -0.576

assign (acc and resi 68 and name O) (don and resi 44 and name HN) -0.565

assign (acc and resi 70 and name O) (don and resi 42 and name HN) -0.479

! RDCs
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     2 and name    N)
       ( resid     2 and name   HN) -8.1700  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     3 and name    N)
       ( resid     3 and name   HN)  8.2710  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     4 and name    N)
       ( resid     4 and name   HN) 10.4890  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     5 and name    N)
       ( resid     5 and name   HN)  9.8710  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     6 and name    N)
       ( resid     6 and name   HN)  9.1520  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     7 and name    N)
       ( resid     7 and name   HN)  3.7000  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     8 and name    N)
       ( resid     8 and name   HN)  6.4610  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    10 and name    N)
       ( resid    10 and name   HN)  7.6340  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    11 and name    N)
       ( resid    11 and name   HN) -7.5280  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    12 and name    N)
       ( resid    12 and name   HN)  7.3780  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    13 and name    N)
       ( resid    13 and name   HN)  6.9470  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    14 and name    N)
       ( resid    14 and name   HN)  9.7130  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    15 and name    N)
       ( resid    15 and name   HN)  9.8510  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    16 and name    N)
       ( resid    16 and name   HN)  1.9090  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    17 and name    N)
       ( resid    17 and name   HN)  0.0410  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    18 and name    N)
       ( resid    18 and name   HN) -10.5130  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    20 and name    N)
       ( resid    20 and name   HN) -4.0710  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    21 and name    N)
       ( resid    21 and name   HN)  2.1190  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    22 and name    N)
       ( resid    22 and name   HN) 11.8140  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    23 and name    N)
       ( resid    23 and name   HN)  9.0980  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    25 and name    N)
       ( resid    25 and name   HN)  2.9480  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    26 and name    N)
       ( resid    26 and name   HN)  8.8920  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    27 and name    N)
       ( resid    27 and name   HN)  8.2230  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    28 and name    N)
       ( resid    28 and name   HN)  1.5020  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    29 and name    N)
       ( resid    29 and name   HN)  7.1760  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    30 and name    N)
       ( resid    30 and name   HN)  8.7090  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    31 and name    N)
       ( resid    31 and name   HN)  4.2840  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    32 and name    N)
       ( resid    32 and name   HN)  1.2650  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    33 and name    N)
       ( resid    33 and name   HN)  8.2580  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    34 and name    N)
       ( resid    34 and name   HN)  6.5250  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    35 and name    N)
       ( resid    35 and name   HN) -12.5030  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    36 and name    N)
       ( resid    36 and name   HN) -13.8790  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    39 and name    N)
       ( resid    39 and name   HN) 10.7010  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    40 and name    N)
       ( resid    40 and name   HN)  1.9400  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    41 and name    N)
       ( resid    41 and name   HN)  7.8740  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    42 and name    N)
       ( resid    42 and name   HN)  5.7190  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    43 and name    N)
       ( resid    43 and name   HN)  7.6790  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    44 and name    N)
       ( resid    44 and name   HN)  7.9790  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    45 and name    N)
       ( resid    45 and name   HN)  4.2390  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    46 and name    N)
       ( resid    46 and name   HN)  7.0520  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    47 and name    N)
       ( resid    47 and name   HN)  9.0500  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    48 and name    N)
       ( resid    48 and name   HN) -10.8260  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    49 and name    N)
       ( resid    49 and name   HN)  3.5000  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    50 and name    N)
       ( resid    50 and name   HN)  5.8570  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    51 and name    N)
       ( resid    51 and name   HN) -6.7880  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    52 and name    N)
       ( resid    52 and name   HN) -16.9830  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    54 and name    N)
       ( resid    54 and name   HN) -6.3010  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    55 and name    N)
       ( resid    55 and name   HN)  6.7610  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    56 and name    N)
       ( resid    56 and name   HN) 11.0210  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    57 and name    N)
       ( resid    57 and name   HN) 10.8550  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    58 and name    N)
       ( resid    58 and name   HN)  7.8630  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    59 and name    N)
       ( resid    59 and name   HN) 10.4030  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    60 and name    N)
       ( resid    60 and name   HN)  7.3550  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    61 and name    N)
       ( resid    61 and name   HN)  6.9110  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    62 and name    N)
       ( resid    62 and name   HN)  2.5130  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    63 and name    N)
       ( resid    63 and name   HN) -11.0510  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    64 and name    N)
       ( resid    64 and name   HN) 10.7210  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    65 and name    N)
       ( resid    65 and name   HN)  4.0260  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    66 and name    N)
       ( resid    66 and name   HN) 11.3200  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    67 and name    N)
       ( resid    67 and name   HN)  9.8460  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    68 and name    N)
       ( resid    68 and name   HN)  8.7360  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    69 and name    N)
       ( resid    69 and name   HN)  6.3480  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    70 and name    N)
       ( resid    70 and name   HN)  4.5520  0.0000  0.0000


! RES ATOM1->ATOM2 Coupling AverageC RmStdDev
!  52     N->HN    -16.9830 -16.9830   0.0000
!  36     N->HN    -13.8790 -15.4310   1.5520
!  35     N->HN    -12.5030 -14.4550   1.8738
!  63     N->HN    -11.0510 -13.6040   2.1922
!  48     N->HN    -10.8260 -13.0484   2.2538
!  18     N->HN    -10.5130 -12.6258   2.2640
!   2     N->HN     -8.1700 -11.9893   2.6124
!  11     N->HN     -7.5280 -11.4316   2.8545
!  51     N->HN     -6.7880 -10.9157   3.0615
!  54     N->HN     -6.3010 -10.4542   3.2175
!  20     N->HN     -4.0710  -9.8739   3.5747
!  17     N->HN      0.0410  -9.0477   4.3844
!  32     N->HN      1.2650  -8.2544   5.0295
!  28     N->HN      1.5020  -7.5575   5.4592
!  16     N->HN      1.9090  -6.9264   5.7785
!  40     N->HN      1.9400  -6.3723   5.9926
!  21     N->HN      2.1190  -5.8728   6.1474
!  62     N->HN      2.5130  -5.4069   6.2754
!  25     N->HN      2.9480  -4.9672   6.3866
!  49     N->HN      3.5000  -4.5438   6.4926
!   7     N->HN      3.7000  -4.1512   6.5749
!  65     N->HN      4.0260  -3.7795   6.6457
!  45     N->HN      4.2390  -3.4309   6.7022
!  31     N->HN      4.2840  -3.1095   6.7397
!  70     N->HN      4.5520  -2.8030   6.7721
!  42     N->HN      5.7190  -2.4752   6.8398
!  50     N->HN      5.8570  -2.1666   6.8940
!  69     N->HN      6.3480  -1.8625   6.9517
!   8     N->HN      6.4610  -1.5755   6.9976
!  34     N->HN      6.5250  -1.3055   7.0320
!  55     N->HN      6.7610  -1.0453   7.0629
!  61     N->HN      6.9110  -0.7967   7.0881
!  13     N->HN      6.9470  -0.5620   7.1050
!  46     N->HN      7.0520  -0.3381   7.1170
!  29     N->HN      7.1760  -0.1234   7.1254
!  60     N->HN      7.3550   0.0844   7.1324
!  12     N->HN      7.3780   0.2815   7.1341
!  10     N->HN      7.6340   0.4750   7.1373
!  43     N->HN      7.6790   0.6597   7.1367
!  58     N->HN      7.8630   0.8398   7.1361
!  41     N->HN      7.8740   1.0113   7.1315
!  44     N->HN      7.9790   1.1772   7.1257
!  27     N->HN      8.2230   1.3411   7.1220
!  33     N->HN      8.2580   1.4983   7.1157
!   3     N->HN      8.2710   1.6488   7.1066
!  30     N->HN      8.7090   1.8023   7.1040
!  68     N->HN      8.7360   1.9498   7.0989
!  26     N->HN      8.8920   2.0944   7.0941
!  47     N->HN      9.0500   2.2364   7.0899
!  23     N->HN      9.0980   2.3736   7.0841
!   6     N->HN      9.1520   2.5065   7.0770
!  14     N->HN      9.7130   2.6451   7.0781
!  67     N->HN      9.8460   2.7810   7.0792
!  15     N->HN      9.8510   2.9119   7.0778
!   5     N->HN      9.8710   3.0384   7.0745
!  59     N->HN     10.4030   3.1700   7.0786
!   4     N->HN     10.4890   3.2984   7.0817
!  39     N->HN     10.7010   3.4260   7.0862
!  64     N->HN     10.7210   3.5496   7.0887
!  57     N->HN     10.8550   3.6714   7.0914
!  56     N->HN     11.0210   3.7919   7.0946
!  66     N->HN     11.3200   3.9133   7.1008
!  22     N->HN     11.8140   4.0387   7.1131


assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     2 and name   HN)
       ( resid     1 and name    C)  1.6080  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     3 and name   HN)
       ( resid     2 and name    C) -2.9270  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     4 and name   HN)
       ( resid     3 and name    C)  2.0660  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     5 and name   HN)
       ( resid     4 and name    C)  1.3430  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     6 and name   HN)
       ( resid     5 and name    C)  2.6830  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     7 and name   HN)
       ( resid     6 and name    C)  1.7300  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     8 and name   HN)
       ( resid     7 and name    C) -1.1280  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    11 and name   HN)
       ( resid    10 and name    C)  1.0570  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    12 and name   HN)
       ( resid    11 and name    C) -1.4910  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    13 and name   HN)
       ( resid    12 and name    C)  1.9330  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    14 and name   HN)
       ( resid    13 and name    C)  1.4810  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    15 and name   HN)
       ( resid    14 and name    C)  1.8740  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    16 and name   HN)
       ( resid    15 and name    C)  3.1990  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    17 and name   HN)
       ( resid    16 and name    C)  0.8960  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    18 and name   HN)
       ( resid    17 and name    C)  0.4420  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    20 and name   HN)
       ( resid    19 and name    C)  0.7830  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    21 and name   HN)
       ( resid    20 and name    C)  2.0760  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    23 and name   HN)
       ( resid    22 and name    C)  2.2280  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    25 and name   HN)
       ( resid    24 and name    C) -3.8810  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    26 and name   HN)
       ( resid    25 and name    C)  3.7170  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    27 and name   HN)
       ( resid    26 and name    C)  0.4280  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    28 and name   HN)
       ( resid    27 and name    C) -0.2820  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    29 and name   HN)
       ( resid    28 and name    C) -0.8150  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    30 and name   HN)
       ( resid    29 and name    C)  2.3600  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    31 and name   HN)
       ( resid    30 and name    C)  2.8880  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    32 and name   HN)
       ( resid    31 and name    C) -3.7720  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    33 and name   HN)
       ( resid    32 and name    C)  2.7230  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    34 and name   HN)
       ( resid    33 and name    C)  1.9860  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    35 and name   HN)
       ( resid    34 and name    C)  0.4330  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    36 and name   HN)
       ( resid    35 and name    C) -1.0190  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    39 and name   HN)
       ( resid    38 and name    C) -0.0120  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    40 and name   HN)
       ( resid    39 and name    C)  1.9700  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    41 and name   HN)
       ( resid    40 and name    C) -2.0320  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    42 and name   HN)
       ( resid    41 and name    C)  2.8150  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    43 and name   HN)
       ( resid    42 and name    C) -0.1100  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    44 and name   HN)
       ( resid    43 and name    C)  2.5540  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    45 and name   HN)
       ( resid    44 and name    C)  2.3260  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    46 and name   HN)
       ( resid    45 and name    C)  1.5470  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    47 and name   HN)
       ( resid    46 and name    C) -0.4480  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    48 and name   HN)
       ( resid    47 and name    C) -2.2550  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    49 and name   HN)
       ( resid    48 and name    C) -1.9410  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    50 and name   HN)
       ( resid    49 and name    C)  2.4370  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    51 and name   HN)
       ( resid    50 and name    C) -0.6410  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    52 and name   HN)
       ( resid    51 and name    C) -3.4510  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    54 and name   HN)
       ( resid    53 and name    C)  1.3610  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    55 and name   HN)
       ( resid    54 and name    C) -2.7590  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    56 and name   HN)
       ( resid    55 and name    C)  2.3120  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    57 and name   HN)
       ( resid    56 and name    C) -0.2780  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    58 and name   HN)
       ( resid    57 and name    C) -0.9700  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    59 and name   HN)
       ( resid    58 and name    C)  3.0040  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    60 and name   HN)
       ( resid    59 and name    C) -2.1360  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    61 and name   HN)
       ( resid    60 and name    C)  1.9960  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    62 and name   HN)
       ( resid    61 and name    C)  2.4220  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    63 and name   HN)
       ( resid    62 and name    C) -5.0480  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    64 and name   HN)
       ( resid    63 and name    C)  1.9080  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    65 and name   HN)
       ( resid    64 and name    C)  2.3650  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    66 and name   HN)
       ( resid    65 and name    C)  1.7840  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    67 and name   HN)
       ( resid    66 and name    C)  2.8970  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    68 and name   HN)
       ( resid    67 and name    C)  0.2810  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    69 and name   HN)
       ( resid    68 and name    C)  1.5900  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    70 and name   HN)
       ( resid    69 and name    C)  1.2610  0.0000  0.0000


! RES ATOM1->ATOM2 Coupling AverageC RmStdDev
!  63    HN->C      -5.0480  -5.0480   0.0000
!  25    HN->C      -3.8810  -4.4645   0.5835
!  32    HN->C      -3.7720  -4.2337   0.5775
!  52    HN->C      -3.4510  -4.0380   0.6042
!   3    HN->C      -2.9270  -3.8158   0.6996
!  55    HN->C      -2.7590  -3.6397   0.7504
!  48    HN->C      -2.2550  -3.4419   0.8470
!  60    HN->C      -2.1360  -3.2786   0.9023
!  41    HN->C      -2.0320  -3.1401   0.9366
!  49    HN->C      -1.9410  -3.0202   0.9586
!  12    HN->C      -1.4910  -2.8812   1.0142
!   8    HN->C      -1.1280  -2.7351   1.0852
!  36    HN->C      -1.0190  -2.6031   1.1385
!  58    HN->C      -0.9700  -2.4864   1.1750
!  29    HN->C      -0.8150  -2.3750   1.2093
!  51    HN->C      -0.6410  -2.2666   1.2438
!  47    HN->C      -0.4480  -2.1597   1.2803
!  28    HN->C      -0.2820  -2.0553   1.3165
!  57    HN->C      -0.2780  -1.9618   1.3414
!  43    HN->C      -0.1100  -1.8692   1.3683
!  39    HN->C      -0.0120  -1.7808   1.3927
!  68    HN->C       0.2810  -1.6870   1.4268
!  27    HN->C       0.4280  -1.5951   1.4606
!  35    HN->C       0.4330  -1.5106   1.4862
!  18    HN->C       0.4420  -1.4325   1.5056
!  20    HN->C       0.7830  -1.3473   1.5366
!  17    HN->C       0.8960  -1.2642   1.5663
!  11    HN->C       1.0570  -1.1813   1.5972
!  70    HN->C       1.2610  -1.0971   1.6315
!   5    HN->C       1.3430  -1.0157   1.6628
!  54    HN->C       1.3610  -0.9391   1.6888
!  14    HN->C       1.4810  -0.8634   1.7147
!  46    HN->C       1.5470  -0.7904   1.7383
!  69    HN->C       1.5900  -0.7204   1.7592
!   2    HN->C       1.6080  -0.6539   1.7767
!   7    HN->C       1.7300  -0.5876   1.7951
!  66    HN->C       1.7840  -0.5235   1.8120
!  15    HN->C       1.8740  -0.4604   1.8287
!  64    HN->C       1.9080  -0.3997   1.8435
!  13    HN->C       1.9330  -0.3414   1.8564
!  40    HN->C       1.9700  -0.2850   1.8680
!  34    HN->C       1.9860  -0.2310   1.8778
!  61    HN->C       1.9960  -0.1792   1.8860
!   4    HN->C       2.0660  -0.1281   1.8942
!  21    HN->C       2.0760  -0.0792   1.9010
!  23    HN->C       2.2280  -0.0290   1.9101
!  56    HN->C       2.3120   0.0208   1.9196
!  45    HN->C       2.3260   0.0688   1.9278
!  30    HN->C       2.3600   0.1156   1.9354
!  65    HN->C       2.3650   0.1606   1.9416
!  62    HN->C       2.4220   0.2049   1.9479
!  50    HN->C       2.4370   0.2478   1.9533
!  44    HN->C       2.5540   0.2914   1.9600
!   6    HN->C       2.6830   0.3356   1.9684
!  33    HN->C       2.7230   0.3791   1.9763
!  42    HN->C       2.8150   0.4226   1.9850
!  31    HN->C       2.8880   0.4658   1.9939
!  67    HN->C       2.8970   0.5077   2.0019
!  59    HN->C       3.0040   0.5500   2.0108
!  16    HN->C       3.1990   0.5942   2.0226
!  26    HN->C       3.7170   0.6454   2.0448

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     1 and name   CA)
       ( resid     1 and name   HA) -16.4200  0.0000  0.0000
! M1-ch1 val=-16.4200 values=-16.420000

! M1-ch3 val=-21.6620 values=21.662001

! M1-ch2 val=-10.5075 values=-10.184000 -10.831000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     2 and name   CA)
       ( resid     2 and name   HA)  7.6090  0.0000  0.0000
! Q2-ch1 val=7.6090 values=7.609000

! Q2-ch2 val=-14.9200 values=-14.920000

! Q2-ch2 val=-7.9600 values=-7.960000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     3 and name   CA)
       ( resid     3 and name   HA) 12.1850  0.0000  0.0000
! I3-ch1 val=12.1850 values=12.185000

! I3-ch3 val=-1.8480 values=1.848000

! I3-ch3 val=-14.2890 values=14.289000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     4 and name   CA)
       ( resid     4 and name   HA) 26.2980  0.0000  0.0000
! F4-ch1 val=26.2980 values=26.298000

! F4-ch2 val=8.2700 values=7.212000 9.328000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     5 and name   CA)
       ( resid     5 and name   HA) 23.6130  0.0000  0.0000
! V5-ch1 val=23.6130 values=23.613001

! V5-ch3 val=-29.1260 values=29.125999

! V5-ch3 val=-4.4770 values=4.477000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     6 and name   CA)
       ( resid     6 and name   HA) 17.9660  0.0000  0.0000
! K6-ch1 val=17.9660 values=17.966000

! K6-ch2 val=-12.5715 values=-12.539000 -12.604000

! K6-ch2 val=-13.2940 values=-13.294000

! K6-ch2 val=-13.4215 values=-13.433000 -13.410000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     7 and name   CA)
       ( resid     7 and name   HA) 16.8620  0.0000  0.0000
! T7-ch1 val=16.8620 values=16.862000

! T7-ch1 val=-27.8780 values=-27.878000

! T7-ch3 val=-1.1490 values=1.149000

! L8-ch2 val=10.5070 values=10.315000 10.699000

! L8-ch3 val=-7.1750 values=7.175000

! L8-ch3 val=4.7540 values=-4.754000

! L8-ch1 val=-5.1250 values=-5.125000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     9 and name   CA)
       ( resid     9 and name   HA) -11.4530  0.0000  0.0000
! T9-ch1 val=-11.4530 values=-11.453000

! T9-ch1 val=14.0740 values=14.074000

! T9-ch3 val=-17.8540 values=17.854000
{
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    10 and name   CA)
       ( resid    10 and name  HA#) 25.4175  0.0000  0.0000
! G10-ch2 val=25.4175 values=25.452999 25.382000
}
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    11 and name   CA)
       ( resid    11 and name   HA)  9.0170  0.0000  0.0000
! K11-ch1 val=9.0170 values=9.017000

! K11-ch2 val=-13.5035 values=-13.270000 -13.737000

! K11-ch2 val=-9.0460 values=-9.046000

! K11-ch2 val=-8.0310 values=-8.407000 -7.655000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    12 and name   CA)
       ( resid    12 and name   HA) 11.3000  0.0000  0.0000
! T12-ch1 val=11.3000 values=11.300000

! T12-ch1 val=10.7700 values=10.770000

! T12-ch3 val=-14.2100 values=14.210000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    13 and name   CA)
       ( resid    13 and name   HA) 18.3460  0.0000  0.0000
! I13-ch1 val=18.3460 values=18.346001

! I13-ch1 val=15.2810 values=15.281000

! I13-ch3 val=-0.8110 values=0.811000

! I13-ch3 val=4.2910 values=-4.291000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    14 and name   CA)
       ( resid    14 and name   HA) 24.7330  0.0000  0.0000
! T14-ch1 val=24.7330 values=24.733000

! T14-ch1 val=14.8510 values=14.851000

! T14-ch3 val=-20.9350 values=20.934999

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    15 and name   CA)
       ( resid    15 and name   HA) 22.8980  0.0000  0.0000
! L15-ch1 val=22.8980 values=22.898001

! L15-ch2 val=31.8975 values=31.964001 31.830999

! L15-ch3 val=11.5980 values=-11.598000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    16 and name   CA)
       ( resid    16 and name   HA)  8.3010  0.0000  0.0000
! E16-ch1 val=8.3010 values=8.301000

! E16-ch2 val=6.3575 values=6.499000 6.216000

! E16-ch2 val=18.2715 values=18.537001 18.006001

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    17 and name   CA)
       ( resid    17 and name   HA) 17.9190  0.0000  0.0000
! V17-ch1 val=17.9190 values=17.919001

! V17-ch3 val=-28.5110 values=28.511000

! V17-ch3 val=17.2740 values=-17.274000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    18 and name   CA)
       ( resid    18 and name   HA) -14.9170  0.0000  0.0000
! E18-ch1 val=-14.9170 values=-14.917000

! E18-ch2 val=-25.0837 values=-24.329000 -24.112000 -25.327999 -26.566000

! E18-ch2 val=6.7505 values=6.908000 6.593000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    19 and name   CA)
       ( resid    19 and name   HA) -6.8720  0.0000  0.0000
! P19-ch1 val=-6.8720 values=-6.872000

! P19-ch2 val=21.5830 values=21.684999 21.481001

! P19-ch2 val=-18.8950 values=-18.895000

! S20-ch2 val=-7.3207 values=-7.429000 -7.258000 -7.275000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    21 and name   CA)
       ( resid    21 and name   HA) 24.8860  0.0000  0.0000
! D21-ch1 val=24.8860 values=24.886000

! D21-ch2 val=-21.1605 values=-21.020000 -21.301001

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    22 and name   CA)
       ( resid    22 and name   HA) 20.3720  0.0000  0.0000
! T22-ch1 val=20.3720 values=20.372000

! T22-ch1 val=-17.7980 values=-17.798000

! T22-ch3 val=-2.9040 values=2.904000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    23 and name   CA)
       ( resid    23 and name   HA)  6.7800  0.0000  0.0000
! I23-ch1 val=6.7800 values=6.780000

! I23-ch1 val=10.3140 values=10.314000

! I23-ch3 val=4.7740 values=-4.774000

! I23-ch2 val=-0.8130 values=-1.081000 -0.545000

! I23-ch3 val=-22.0290 values=22.028999

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    24 and name   CA)
       ( resid    24 and name   HA) -28.1920  0.0000  0.0000
! E24-ch1 val=-28.1920 values=-28.191999

! E24-ch2 val=-12.1300 values=-12.130000

! E24-ch2 val=-5.0340 values=-5.310000 -4.758000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    25 and name   CA)
       ( resid    25 and name   HA) 15.1620  0.0000  0.0000
! N25-ch1 val=15.1620 values=15.162000

! N25-ch2 val=22.4175 values=22.490000 22.344999

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    26 and name   CA)
       ( resid    26 and name   HA) -5.2050  0.0000  0.0000
! V26-ch1 val=-5.2050 values=-5.205000

! V26-ch1 val=-2.7790 values=-2.779000

! V26-ch3 val=13.3600 values=-13.360000

! V26-ch3 val=-34.5910 values=34.591000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    27 and name   CA)
       ( resid    27 and name   HA) 15.6350  0.0000  0.0000
! K27-ch1 val=15.6350 values=15.635000

! K27-ch2 val=-12.9125 values=-12.153000 -13.672000

! K27-ch2 val=-10.5870 values=-10.587000

! K27-ch2 val=28.4600 values=28.212000 28.708000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    28 and name   CA)
       ( resid    28 and name   HA) -36.4040  0.0000  0.0000
! A28-ch1 val=-36.4040 values=-36.403999

! A28-ch3 val=3.0000 values=-3.000000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    29 and name   CA)
       ( resid    29 and name   HA) 23.0280  0.0000  0.0000
! K29-ch1 val=23.0280 values=23.028000

! K29-ch2 val=26.3010 values=26.301001

! K29-ch2 val=14.6780 values=14.678000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    30 and name   CA)
       ( resid    30 and name   HA)  5.2260  0.0000  0.0000
! I30-ch1 val=5.2260 values=5.226000

! I30-ch1 val=11.7760 values=11.776000

! I30-ch3 val=18.2170 values=-18.216999

! I30-ch2 val=-5.8790 values=-5.879000

! I30-ch3 val=-18.7680 values=18.768000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    31 and name   CA)
       ( resid    31 and name   HA) -22.9430  0.0000  0.0000
! Q31-ch1 val=-22.9430 values=-22.943001

! Q31-ch2 val=-9.8110 values=-9.811000

! Q31-ch2 val=-7.6600 values=-7.701000 -7.619000

! D32-ch2 val=18.8520 values=18.851999

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    33 and name   CA)
       ( resid    33 and name   HA) 14.5000  0.0000  0.0000
! K33-ch1 val=14.5000 values=14.500000

! K33-ch2 val=20.8190 values=20.757000 20.881001

! K33-ch2 val=17.0990 values=17.099001

! K33-ch2 val=13.6080 values=13.608000

! K33-ch2 val=22.1710 values=22.171000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    34 and name   CA)
       ( resid    34 and name   HA) 16.4780  0.0000  0.0000
! E34-ch1 val=16.4780 values=16.478001

! E34-ch2 val=-17.1470 values=-17.964001 -16.330000

! E34-ch2 val=8.7730 values=8.773000
{
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    35 and name   CA)
       ( resid    35 and name  HA#) 16.1235  0.0000  0.0000
! G35-ch2 val=16.1235 values=16.230000 16.017000
}
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    36 and name   CA)
       ( resid    36 and name   HA) -37.9860  0.0000  0.0000
! I36-ch1 val=-37.9860 values=-37.986000

! I36-ch1 val=-33.2470 values=-33.247002

! I36-ch3 val=-4.6110 values=4.611000

! I36-ch3 val=-0.7670 values=0.767000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    37 and name   CA)
       ( resid    37 and name   HA) -3.4290  0.0000  0.0000
! P37-ch1 val=-3.4290 values=-3.429000

! P37-ch2 val=31.2950 values=31.368999 31.221001

! P37-ch2 val=-13.3880 values=-13.388000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    38 and name   CA)
       ( resid    38 and name   HA)  3.8040  0.0000  0.0000
! P38-ch1 val=3.8040 values=3.804000

! P38-ch2 val=8.2410 values=8.241000

! P38-ch2 val=-3.8770 values=-3.877000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    39 and name   CA)
       ( resid    39 and name   HA)  5.4760  0.0000  0.0000
! D39-ch1 val=5.4760 values=5.476000

! D39-ch2 val=4.5755 values=4.530000 4.621000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    40 and name   CA)
       ( resid    40 and name   HA) -11.6040  0.0000  0.0000
! Q40-ch1 val=-11.6040 values=-11.604000

! Q40-ch2 val=5.9250 values=5.925000

! Q40-ch2 val=12.3350 values=12.335000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    41 and name   CA)
       ( resid    41 and name   HA) 11.7480  0.0000  0.0000
! Q41-ch1 val=11.7480 values=11.748000

! Q41-ch2 val=5.8290 values=5.829000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    42 and name   CA)
       ( resid    42 and name   HA) 12.5700  0.0000  0.0000
! R42-ch1 val=12.5700 values=12.570000

! R42-ch2 val=11.0390 values=11.007000 11.071000

! R42-ch2 val=5.5520 values=5.552000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    43 and name   CA)
       ( resid    43 and name   HA) 14.8130  0.0000  0.0000
! L43-ch1 val=14.8130 values=14.813000

! L43-ch2 val=-4.1140 values=-4.114000

! L43-ch3 val=-9.8150 values=9.815000

! L43-ch3 val=9.5000 values=-9.500000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    44 and name   CA)
       ( resid    44 and name   HA) 16.8520  0.0000  0.0000
! I44-ch1 val=16.8520 values=16.851999

! I44-ch1 val=15.4970 values=15.497000

! I44-ch3 val=-5.4430 values=5.443000

! I44-ch2 val=30.8570 values=30.857000

! I44-ch3 val=20.0240 values=-20.024000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    45 and name   CA)
       ( resid    45 and name   HA) 17.0260  0.0000  0.0000
! F45-ch1 val=17.0260 values=17.025999

! F45-ch2 val=40.9320 values=41.067001 41.382000 40.347000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    46 and name   CA)
       ( resid    46 and name   HA) 16.8020  0.0000  0.0000
! A46-ch1 val=16.8020 values=16.802000

! A46-ch3 val=-28.5610 values=28.561001
{
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    47 and name   CA)
       ( resid    47 and name  HA#)  7.6990  0.0000  0.0000
! G47-ch2 val=7.6990 values=7.826000 7.572000
}
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    48 and name   CA)
       ( resid    48 and name   HA) -14.5340  0.0000  0.0000
! K48-ch1 val=-14.5340 values=-14.534000

! K48-ch2 val=8.5390 values=8.539000

! K48-ch2 val=3.5910 values=3.591000

! K48-ch2 val=0.8070 values=0.807000

! K48-ch2 val=0.4770 values=0.477000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    49 and name   CA)
       ( resid    49 and name   HA) 17.0350  0.0000  0.0000
! Q49-ch1 val=17.0350 values=17.035000

! Q49-ch2 val=25.0790 values=25.079000

! Q49-ch2 val=12.7450 values=12.745000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    50 and name   CA)
       ( resid    50 and name   HA)  2.1020  0.0000  0.0000
! L50-ch1 val=2.1020 values=2.102000

! L50-ch2 val=-5.7340 values=-5.706000 -5.762000

! L50-ch3 val=0.5800 values=-0.580000

! L50-ch3 val=3.3880 values=-3.388000

! L50-ch1 val=-14.1220 values=-14.122000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    51 and name   CA)
       ( resid    51 and name   HA) -36.6040  0.0000  0.0000
! E51-ch1 val=-36.6040 values=-36.604000

! E51-ch2 val=-19.3470 values=-19.429001 -19.264999

! E51-ch2 val=-0.2000 values=-0.200000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    52 and name   CA)
       ( resid    52 and name   HA)  4.6550  0.0000  0.0000
! D52-ch1 val=4.6550 values=4.655000

! D52-ch2 val=17.7295 values=17.011999 18.447001
{
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    53 and name   CA)
       ( resid    53 and name  HA#) 29.1760  0.0000  0.0000
! G53-ch2 val=29.1760 values=28.709999 29.642000
}
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    54 and name   CA)
       ( resid    54 and name   HA) -3.0650  0.0000  0.0000
! R54-ch1 val=-3.0650 values=-3.065000

! R54-ch2 val=-6.1905 values=-6.238000 -6.143000

! R54-ch2 val=-13.1280 values=-12.735000 -13.521000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    55 and name   CA)
       ( resid    55 and name   HA) 12.8990  0.0000  0.0000
! T55-ch1 val=12.8990 values=12.899000

! T55-ch1 val=2.5940 values=2.594000

! T55-ch3 val=19.1080 values=-19.108000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    56 and name   CA)
       ( resid    56 and name   HA) -20.8260  0.0000  0.0000
! L56-ch1 val=-20.8260 values=-20.826000

! L56-ch2 val=-4.7250 values=-4.617000 -4.833000

! L56-ch3 val=-14.2760 values=14.276000

! L56-ch1 val=15.1140 values=15.114000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    57 and name   CA)
       ( resid    57 and name   HA)  8.9290  0.0000  0.0000
! S57-ch1 val=8.9290 values=8.929000

! S57-ch2 val=12.4205 values=12.436000 12.405000

! D58-ch2 val=1.1525 values=1.382000 0.923000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    59 and name   CA)
       ( resid    59 and name   HA) 17.2540  0.0000  0.0000
! Y59-ch1 val=17.2540 values=17.254000

! Y59-ch2 val=37.2218 values=37.435001 39.445000 36.182999 35.824001

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    60 and name   CA)
       ( resid    60 and name   HA) -20.7590  0.0000  0.0000
! N60-ch1 val=-20.7590 values=-20.759001

! N60-ch2 val=-10.5545 values=-10.654000 -10.675000 -10.593000 -10.296000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    61 and name   CA)
       ( resid    61 and name   HA) 18.9480  0.0000  0.0000
! I61-ch1 val=18.9480 values=18.948000

! I61-ch1 val=17.5490 values=17.549000

! I61-ch3 val=-12.4080 values=12.408000

! I61-ch2 val=34.2115 values=34.332001 34.091000

! I61-ch3 val=15.8410 values=-15.841000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    62 and name   CA)
       ( resid    62 and name   HA)  5.4260  0.0000  0.0000
! Q62-ch1 val=5.4260 values=5.426000

! Q62-ch2 val=-20.8790 values=-20.681000 -21.077000

! Q62-ch2 val=-13.2400 values=-13.240000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    63 and name   CA)
       ( resid    63 and name   HA)  6.7040  0.0000  0.0000
! K63-ch1 val=6.7040 values=6.704000

! K63-ch2 val=26.4620 values=27.448999 25.475000

! K63-ch2 val=22.7930 values=22.792999

! K63-ch2 val=8.5250 values=8.525000

! K63-ch2 val=25.6110 values=25.611000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    64 and name   CA)
       ( resid    64 and name   HA)  6.7840  0.0000  0.0000
! E64-ch1 val=6.7840 values=6.784000

! E64-ch2 val=4.9580 values=5.114000 4.802000

! E64-ch2 val=-6.4820 values=-6.630000 -6.334000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    65 and name   CA)
       ( resid    65 and name   HA) 25.4700  0.0000  0.0000
! S65-ch1 val=25.4700 values=25.469999

! S65-ch2 val=-4.5680 values=-4.303000 -4.833000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    66 and name   CA)
       ( resid    66 and name   HA) 26.9410  0.0000  0.0000
! T66-ch1 val=26.9410 values=26.941000

! T66-ch1 val=24.3240 values=24.323999

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    67 and name   CA)
       ( resid    67 and name   HA) 23.7840  0.0000  0.0000
! L67-ch1 val=23.7840 values=23.784000

! L67-ch3 val=-6.8890 values=6.889000

! L67-ch3 val=16.0200 values=-16.020000

! L67-ch1 val=4.1930 values=4.193000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    68 and name   CA)
       ( resid    68 and name   HA) 17.0500  0.0000  0.0000
! H68-ch1 val=17.0500 values=17.049999

! H68-ch2 val=-19.4268 values=-19.275999 -20.186001 -18.929001 -19.316000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    69 and name   CA)
       ( resid    69 and name   HA) 15.7550  0.0000  0.0000
! L69-ch1 val=15.7550 values=15.755000

! L69-ch3 val=2.6550 values=-2.655000

! L69-ch3 val=18.2170 values=-18.216999

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    70 and name   CA)
       ( resid    70 and name   HA) 13.8650  0.0000  0.0000
! V70-ch1 val=13.8650 values=13.865000

! V70-ch1 val=-10.1820 values=-10.182000

! V70-ch3 val=8.2060 values=-8.206000


assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     2 and name    N)
       ( resid     1 and name    C)  0.8160  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     3 and name    N)
       ( resid     2 and name    C) -2.1060  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     4 and name    N)
       ( resid     3 and name    C)  0.1420  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     5 and name    N)
       ( resid     4 and name    C) -0.7950  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     6 and name    N)
       ( resid     5 and name    C)  0.4800  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     7 and name    N)
       ( resid     6 and name    C) -0.1060  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     8 and name    N)
       ( resid     7 and name    C) -2.0300  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    11 and name    N)
       ( resid    10 and name    C)  0.9630  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    12 and name    N)
       ( resid    11 and name    C) -1.7630  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    13 and name    N)
       ( resid    12 and name    C)  0.7320  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    14 and name    N)
       ( resid    13 and name    C) -0.4770  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    15 and name    N)
       ( resid    14 and name    C)  0.5330  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    16 and name    N)
       ( resid    15 and name    C)  0.7560  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    17 and name    N)
       ( resid    16 and name    C)  0.6970  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    18 and name    N)
       ( resid    17 and name    C)  0.8100  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    20 and name    N)
       ( resid    19 and name    C)  1.0260  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    21 and name    N)
       ( resid    20 and name    C)  0.5220  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    23 and name    N)
       ( resid    22 and name    C) -0.2580  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    25 and name    N)
       ( resid    24 and name    C) -2.5230  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    26 and name    N)
       ( resid    25 and name    C)  1.1610  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    27 and name    N)
       ( resid    26 and name    C) -1.1460  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    28 and name    N)
       ( resid    27 and name    C)  0.2060  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    29 and name    N)
       ( resid    28 and name    C) -1.0230  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    30 and name    N)
       ( resid    29 and name    C)  0.1310  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    31 and name    N)
       ( resid    30 and name    C)  0.5780  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    32 and name    N)
       ( resid    31 and name    C) -2.0140  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    33 and name    N)
       ( resid    32 and name    C)  1.1160  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    34 and name    N)
       ( resid    33 and name    C) -0.3980  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    35 and name    N)
       ( resid    34 and name    C)  0.8670  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    36 and name    N)
       ( resid    35 and name    C)  0.9150  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    39 and name    N)
       ( resid    38 and name    C) -1.4250  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    40 and name    N)
       ( resid    39 and name    C)  0.7920  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    41 and name    N)
       ( resid    40 and name    C) -1.8950  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    42 and name    N)
       ( resid    41 and name    C)  1.1460  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    43 and name    N)
       ( resid    42 and name    C) -1.3910  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    44 and name    N)
       ( resid    43 and name    C)  0.7480  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    45 and name    N)
       ( resid    44 and name    C)  0.1740  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    46 and name    N)
       ( resid    45 and name    C)  0.8870  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    47 and name    N)
       ( resid    46 and name    C) -1.5670  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    48 and name    N)
       ( resid    47 and name    C) -0.0120  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    49 and name    N)
       ( resid    48 and name    C) -0.9700  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    50 and name    N)
       ( resid    49 and name    C)  0.7730  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    51 and name    N)
       ( resid    50 and name    C)  0.3770  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    52 and name    N)
       ( resid    51 and name    C) -0.0890  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    54 and name    N)
       ( resid    53 and name    C)  0.9630  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    55 and name    N)
       ( resid    54 and name    C) -1.9460  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    56 and name    N)
       ( resid    55 and name    C)  0.3100  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    57 and name    N)
       ( resid    56 and name    C) -0.7950  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    58 and name    N)
       ( resid    57 and name    C) -1.2120  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    59 and name    N)
       ( resid    58 and name    C)  0.6210  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    60 and name    N)
       ( resid    59 and name    C) -2.0170  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    61 and name    N)
       ( resid    60 and name    C)  0.6840  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    62 and name    N)
       ( resid    61 and name    C)  0.4430  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    63 and name    N)
       ( resid    62 and name    C) -1.3730  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    64 and name    N)
       ( resid    63 and name    C) -0.0360  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    65 and name    N)
       ( resid    64 and name    C)  0.3010  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    66 and name    N)
       ( resid    65 and name    C) -0.6490  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    67 and name    N)
       ( resid    66 and name    C)  0.3890  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    68 and name    N)
       ( resid    67 and name    C) -1.1880  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    69 and name    N)
       ( resid    68 and name    C)  0.2580  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    70 and name    N)
       ( resid    69 and name    C) -0.3750  0.0000  0.0000


! RES ATOM1->ATOM2 Coupling AverageC RmStdDev
!  25     N->C      -2.5230  -2.5230   0.0000
!   3     N->C      -2.1060  -2.3145   0.2085
!   8     N->C      -2.0300  -2.2197   0.2167
!  60     N->C      -2.0170  -2.1690   0.2072
!  32     N->C      -2.0140  -2.1380   0.1954
!  55     N->C      -1.9460  -2.1060   0.1922
!  41     N->C      -1.8950  -2.0759   0.1927
!  12     N->C      -1.7630  -2.0368   0.2078
!  47     N->C      -1.5670  -1.9846   0.2453
!  39     N->C      -1.4250  -1.9286   0.2869
!  43     N->C      -1.3910  -1.8797   0.3142
!  63     N->C      -1.3730  -1.8375   0.3319
!  58     N->C      -1.2120  -1.7894   0.3598
!  68     N->C      -1.1880  -1.7464   0.3797
!  27     N->C      -1.1460  -1.7064   0.3962
!  29     N->C      -1.0230  -1.6637   0.4178
!  49     N->C      -0.9700  -1.6229   0.4369
!   5     N->C      -0.7950  -1.5769   0.4651
!  57     N->C      -0.7950  -1.5357   0.4852
!  66     N->C      -0.6490  -1.4914   0.5108
!  14     N->C      -0.4770  -1.4431   0.5433
!  34     N->C      -0.3980  -1.3956   0.5737
!  70     N->C      -0.3750  -1.3512   0.5985
!  23     N->C      -0.2580  -1.3057   0.6253
!   7     N->C      -0.1060  -1.2577   0.6562
!  52     N->C      -0.0890  -1.2127   0.6816
!  64     N->C      -0.0360  -1.1691   0.7048
!  48     N->C      -0.0120  -1.1278   0.7246
!  30     N->C       0.1310  -1.0844   0.7482
!   4     N->C       0.1420  -1.0435   0.7678
!  45     N->C       0.1740  -1.0043   0.7854
!  28     N->C       0.2060  -0.9664   0.8012
!  69     N->C       0.2580  -0.9293   0.8164
!  65     N->C       0.3010  -0.8931   0.8307
!  56     N->C       0.3100  -0.8588   0.8429
!  51     N->C       0.3770  -0.8244   0.8556
!  67     N->C       0.3890  -0.7916   0.8666
!  62     N->C       0.4430  -0.7592   0.8777
!   6     N->C       0.4800  -0.7274   0.8882
!  21     N->C       0.5220  -0.6962   0.8985
!  15     N->C       0.5330  -0.6662   0.9075
!  31     N->C       0.5780  -0.6365   0.9164
!  59     N->C       0.6210  -0.6073   0.9253
!  61     N->C       0.6840  -0.5780   0.9348
!  17     N->C       0.6970  -0.5496   0.9433
!  13     N->C       0.7320  -0.5218   0.9515
!  44     N->C       0.7480  -0.4947   0.9590
!  16     N->C       0.7560  -0.4687   0.9656
!  50     N->C       0.7730  -0.4433   0.9717
!  40     N->C       0.7920  -0.4186   0.9773
!  18     N->C       0.8100  -0.3945   0.9826
!   2     N->C       0.8160  -0.3713   0.9872
!  35     N->C       0.8670  -0.3479   0.9923
!  46     N->C       0.8870  -0.3250   0.9970
!  36     N->C       0.9150  -0.3025   1.0017
!  54     N->C       0.9630  -0.2799   1.0068
!  11     N->C       0.9630  -0.2581   1.0112
!  20     N->C       1.0260  -0.2359   1.0162
!  33     N->C       1.1160  -0.2130   1.0226
!  42     N->C       1.1460  -0.1904   1.0289
!  26     N->C       1.1610  -0.1682   1.0347

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     1 and name   CA)
       ( resid     1 and name    C) -2.4200  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     2 and name   CA)
       ( resid     2 and name    C)  0.6130  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     3 and name   CA)
       ( resid     3 and name    C) -1.0550  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     4 and name   CA)
       ( resid     4 and name    C) -2.4730  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     5 and name   CA)
       ( resid     5 and name    C) -0.2790  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     6 and name   CA)
       ( resid     6 and name    C) -3.1340  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     7 and name   CA)
       ( resid     7 and name    C)  0.1640  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     9 and name   CA)
       ( resid     9 and name    C) -1.5940  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    10 and name   CA)
       ( resid    10 and name    C) -0.8890  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    12 and name   CA)
       ( resid    12 and name    C)  1.5320  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    13 and name   CA)
       ( resid    13 and name    C) -2.6090  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    14 and name   CA)
       ( resid    14 and name    C)  1.7690  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    15 and name   CA)
       ( resid    15 and name    C) -3.1390  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    16 and name   CA)
       ( resid    16 and name    C)  1.0960  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    17 and name   CA)
       ( resid    17 and name    C) -2.1390  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    19 and name   CA)
       ( resid    19 and name    C)  0.5180  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    20 and name   CA)
       ( resid    20 and name    C) -2.1970  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    21 and name   CA)
       ( resid    21 and name    C) -0.7300  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    22 and name   CA)
       ( resid    22 and name    C) -0.5960  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    24 and name   CA)
       ( resid    24 and name    C)  0.7690  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    25 and name   CA)
       ( resid    25 and name    C)  1.4140  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    26 and name   CA)
       ( resid    26 and name    C) -2.4600  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    27 and name   CA)
       ( resid    27 and name    C)  2.4920  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    28 and name   CA)
       ( resid    28 and name    C)  0.4510  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    29 and name   CA)
       ( resid    29 and name    C) -0.2690  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    30 and name   CA)
       ( resid    30 and name    C) -0.6950  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    31 and name   CA)
       ( resid    31 and name    C)  1.3610  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    32 and name   CA)
       ( resid    32 and name    C)  1.2970  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    33 and name   CA)
       ( resid    33 and name    C) -2.4160  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    34 and name   CA)
       ( resid    34 and name    C) -2.3540  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    35 and name   CA)
       ( resid    35 and name    C) -0.2250  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    38 and name   CA)
       ( resid    38 and name    C) -0.5870  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    39 and name   CA)
       ( resid    39 and name    C)  0.7140  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    40 and name   CA)
       ( resid    40 and name    C) -0.3730  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    42 and name   CA)
       ( resid    42 and name    C) -1.9440  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    43 and name   CA)
       ( resid    43 and name    C)  2.2460  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    45 and name   CA)
       ( resid    45 and name    C)  2.3400  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    46 and name   CA)
       ( resid    46 and name    C) -1.5730  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    47 and name   CA)
       ( resid    47 and name    C)  1.1650  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    48 and name   CA)
       ( resid    48 and name    C)  1.9970  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    49 and name   CA)
       ( resid    49 and name    C) -0.7350  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    50 and name   CA)
       ( resid    50 and name    C)  0.6700  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    51 and name   CA)
       ( resid    51 and name    C)  1.1650  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    53 and name   CA)
       ( resid    53 and name    C) -2.0130  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    55 and name   CA)
       ( resid    55 and name    C)  1.8720  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    56 and name   CA)
       ( resid    56 and name    C) -0.2300  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    57 and name   CA)
       ( resid    57 and name    C)  1.1120  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    58 and name   CA)
       ( resid    58 and name    C)  1.1880  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    59 and name   CA)
       ( resid    59 and name    C) -0.9440  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    60 and name   CA)
       ( resid    60 and name    C)  1.5780  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    61 and name   CA)
       ( resid    61 and name    C) -2.4670  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    63 and name   CA)
       ( resid    63 and name    C)  0.7970  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    64 and name   CA)
       ( resid    64 and name    C) -0.9170  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    65 and name   CA)
       ( resid    65 and name    C) -1.8810  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    66 and name   CA)
       ( resid    66 and name    C) -1.1350  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    67 and name   CA)
       ( resid    67 and name    C) -1.8680  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    68 and name   CA)
       ( resid    68 and name    C) -0.1430  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    69 and name   CA)
       ( resid    69 and name    C) -3.0680  0.0000  0.0000


! RES ATOM1->ATOM2 Coupling AverageC RmStdDev
!  16    CA->C      -3.1390  -3.1390   0.0000
!   7    CA->C      -3.1340  -3.1365   0.0025
!  70    CA->C      -3.0680  -3.1137   0.0324
!  14    CA->C      -2.6090  -2.9875   0.2203
!   5    CA->C      -2.4730  -2.8846   0.2849
!  62    CA->C      -2.4670  -2.8150   0.3031
!  27    CA->C      -2.4600  -2.7643   0.3069
!   2    CA->C      -2.4200  -2.7212   0.3088
!  34    CA->C      -2.4160  -2.6873   0.3066
!  35    CA->C      -2.3540  -2.6540   0.3075
!  21    CA->C      -2.1970  -2.6124   0.3213
!  18    CA->C      -2.1390  -2.5730   0.3343
!  54    CA->C      -2.0130  -2.5299   0.3542
!  43    CA->C      -1.9440  -2.4881   0.3732
!  66    CA->C      -1.8810  -2.4476   0.3910
!  68    CA->C      -1.8680  -2.4114   0.4038
!  10    CA->C      -1.5940  -2.3633   0.4364
!  47    CA->C      -1.5730  -2.3194   0.4611
!  67    CA->C      -1.1350  -2.2571   0.5209
!   4    CA->C      -1.0550  -2.1970   0.5713
!  60    CA->C      -0.9440  -2.1373   0.6181
!  65    CA->C      -0.9170  -2.0818   0.6552
!  11    CA->C      -0.8890  -2.0300   0.6854
!  50    CA->C      -0.7350  -1.9760   0.7192
!  22    CA->C      -0.7300  -1.9262   0.7458
!  31    CA->C      -0.6950  -1.8788   0.7686
!  23    CA->C      -0.5960  -1.8313   0.7922
!  39    CA->C      -0.5870  -1.7869   0.8115
!  41    CA->C      -0.3730  -1.7381   0.8381
!   6    CA->C      -0.2790  -1.6895   0.8646
!  30    CA->C      -0.2690  -1.6437   0.8868
!  57    CA->C      -0.2300  -1.5995   0.9068
!  36    CA->C      -0.2250  -1.5578   0.9236
!  69    CA->C      -0.1430  -1.5162   0.9407
!   8    CA->C       0.1640  -1.4682   0.9685
!  29    CA->C       0.4510  -1.4149   1.0057
!  20    CA->C       0.5180  -1.3626   1.0404
!   3    CA->C       0.6130  -1.3107   1.0742
!  51    CA->C       0.6700  -1.2599   1.1056
!  40    CA->C       0.7140  -1.2105   1.1343
!  25    CA->C       0.7690  -1.1622   1.1613
!  64    CA->C       0.7970  -1.1156   1.1856
!  17    CA->C       1.0960  -1.0642   1.2183
!  58    CA->C       1.1120  -1.0147   1.2472
!  52    CA->C       1.1650  -0.9663   1.2745
!  48    CA->C       1.1650  -0.9199   1.2983
!  59    CA->C       1.1880  -0.8751   1.3199
!  33    CA->C       1.2970  -0.8298   1.3424
!  32    CA->C       1.3610  -0.7851   1.3643
!  26    CA->C       1.4140  -0.7411   1.3852
!  13    CA->C       1.5320  -0.6966   1.4073
!  61    CA->C       1.5780  -0.6528   1.4283
!  15    CA->C       1.7690  -0.6071   1.4526
!  56    CA->C       1.8720  -0.5612   1.4774
!  49    CA->C       1.9970  -0.5147   1.5033
!  44    CA->C       2.2460  -0.4654   1.5340
!  46    CA->C       2.3400  -0.4162   1.5645
!  28    CA->C       2.4920  -0.3661   1.5965

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     1 and name   CA)
       ( resid     1 and name   CB)  1.6670  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     6 and name   CA)
       ( resid     6 and name   CB)  2.0980  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     7 and name   CA)
       ( resid     7 and name   CB)  1.5750  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     9 and name   CA)
       ( resid     9 and name   CB)  1.4430  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    11 and name   CA)
       ( resid    11 and name   CB)  1.1530  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    12 and name   CA)
       ( resid    12 and name   CB) -0.6660  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    13 and name   CA)
       ( resid    13 and name   CB)  0.0270  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    14 and name   CA)
       ( resid    14 and name   CB) -0.9520  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    16 and name   CA)
       ( resid    16 and name   CB)  0.6260  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    18 and name   CA)
       ( resid    18 and name   CB)  1.2600  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    19 and name   CA)
       ( resid    19 and name   CB) -0.9920  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    22 and name   CA)
       ( resid    22 and name   CB)  0.5390  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    23 and name   CA)
       ( resid    23 and name   CB)  0.6610  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    24 and name   CA)
       ( resid    24 and name   CB)  1.3180  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    28 and name   CA)
       ( resid    28 and name   CB)  0.6140  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    31 and name   CA)
       ( resid    31 and name   CB)  1.3580  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    34 and name   CA)
       ( resid    34 and name   CB)  2.4970  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    36 and name   CA)
       ( resid    36 and name   CB)  1.2690  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    38 and name   CA)
       ( resid    38 and name   CB)  0.0140  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    39 and name   CA)
       ( resid    39 and name   CB) -0.4080  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    42 and name   CA)
       ( resid    42 and name   CB) -0.4270  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    43 and name   CA)
       ( resid    43 and name   CB) -0.6910  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    46 and name   CA)
       ( resid    46 and name   CB) -1.9470  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    48 and name   CA)
       ( resid    48 and name   CB) -1.4360  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    50 and name   CA)
       ( resid    50 and name   CB) -0.2730  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    54 and name   CA)
       ( resid    54 and name   CB)  1.5500  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    55 and name   CA)
       ( resid    55 and name   CB) -2.5000  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    56 and name   CA)
       ( resid    56 and name   CB)  0.6950  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    57 and name   CA)
       ( resid    57 and name   CB) -1.1830  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    59 and name   CA)
       ( resid    59 and name   CB) -1.0310  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    60 and name   CA)
       ( resid    60 and name   CB)  1.7140  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    61 and name   CA)
       ( resid    61 and name   CB) -0.9260  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    62 and name   CA)
       ( resid    62 and name   CB)  0.6450  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    63 and name   CA)
       ( resid    63 and name   CB) -2.0780  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    64 and name   CA)
       ( resid    64 and name   CB)  0.1580  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    65 and name   CA)
       ( resid    65 and name   CB)  1.5560  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    66 and name   CA)
       ( resid    66 and name   CB)  1.0670  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    69 and name   CA)
       ( resid    69 and name   CB)  2.2970  0.0000  0.0000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    70 and name   CA)
       ( resid    70 and name   CB)  1.8100  0.0000  0.0000

!assign ( resid   500 and name   OO)
!       ( resid   500 and name    Z)
!       ( resid   500 and name    X)
!       ( resid   500 and name    Y)
!       ( resid    71 and name   CA)
!       ( resid    71 and name   CB)  0.8130  0.0000  0.0000

!assign ( resid   500 and name   OO)
!       ( resid   500 and name    Z)
!       ( resid   500 and name    X)
!       ( resid   500 and name    Y)
!       ( resid    72 and name   CA)
!       ( resid    72 and name   CB)  1.3060  0.0000  0.0000

! M1-ch1 val=-16.4200 values=-16.420000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     1 and name   CE)
       ( resid     1 and name   SD) -21.6620 100.0000  0.0000
! M1-ch3 val=-21.6620 values=21.662001

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     1 and name   CG)
       ( resid     1 and name  HG#) -10.5075 100.0000  0.0000
! M1-ch2 val=-10.5075 values=-10.184000 -10.831000

! Q2-ch1 val=7.6090 values=7.609000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     2 and name   CB)
       ( resid     2 and name  HB#) -14.9200 100.0000  0.0000
! Q2-ch2 val=-14.9200 values=-14.920000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     2 and name   CG)
       ( resid     2 and name  HG#) -7.9600 100.0000  0.0000
! Q2-ch2 val=-7.9600 values=-7.960000

! I3-ch1 val=12.1850 values=12.185000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     3 and name  CD1)
       ( resid     3 and name  CG1) -1.8480 100.0000  0.0000
! I3-ch3 val=-1.8480 values=1.848000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     3 and name  CG2)
       ( resid     3 and name   CB) -14.2890  0.0000  0.0000
! I3-ch3 val=-14.2890 values=14.289000

! F4-ch1 val=26.2980 values=26.298000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     4 and name   CB)
       ( resid     4 and name  HB#)  8.2700  0.0000  0.0000
! F4-ch2 val=8.2700 values=7.212000 9.328000

! V5-ch1 val=23.6130 values=23.613001

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     5 and name  CG1)
       ( resid     5 and name   CB) -29.1260  0.0000  0.0000
! V5-ch3 val=-29.1260 values=29.125999

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     5 and name  CG2)
       ( resid     5 and name   CB) -4.4770  0.0000  0.0000
! V5-ch3 val=-4.4770 values=4.477000

! K6-ch1 val=17.9660 values=17.966000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     6 and name   CB)
       ( resid     6 and name  HB#) -12.5715 100.0000  0.0000
! K6-ch2 val=-12.5715 values=-12.539000 -12.604000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     6 and name   CD)
       ( resid     6 and name  HD#) -13.2940 100.0000  0.0000
! K6-ch2 val=-13.2940 values=-13.294000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     6 and name   CG)
       ( resid     6 and name  HG#) -13.4215 100.0000  0.0000
! K6-ch2 val=-13.4215 values=-13.433000 -13.410000

! T7-ch1 val=16.8620 values=16.862000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     7 and name   CB)
       ( resid     7 and name   HB) -27.8780  0.0000  0.0000
! T7-ch1 val=-27.8780 values=-27.878000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     7 and name  CG2)
       ( resid     7 and name   CB) -1.1490  0.0000  0.0000
! T7-ch3 val=-1.1490 values=1.149000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     8 and name   CB)
       ( resid     8 and name  HB#) 10.5070  0.0000 100.0000
! L8-ch2 val=10.5070 values=10.315000 10.699000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     8 and name  CD1)
       ( resid     8 and name   CG) -7.1750 100.0000  0.0000
! L8-ch3 val=-7.1750 values=7.175000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     8 and name  CD2)
       ( resid     8 and name   CG)  4.7540  0.0000 100.0000
! L8-ch3 val=4.7540 values=-4.754000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     8 and name   CG)
       ( resid     8 and name   HG) -5.1250 100.0000  0.0000
! L8-ch1 val=-5.1250 values=-5.125000

! T9-ch1 val=-11.4530 values=-11.453000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     9 and name   CB)
       ( resid     9 and name   HB) 14.0740  0.0000  0.0000
! T9-ch1 val=14.0740 values=14.074000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     9 and name  CG2)
       ( resid     9 and name   CB) -17.8540  0.0000  0.0000
! T9-ch3 val=-17.8540 values=17.854000

! G10-ch2 val=25.4175 values=25.452999 25.382000

! K11-ch1 val=9.0170 values=9.017000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    11 and name   CB)
       ( resid    11 and name  HB#) -13.5035 100.0000  0.0000
! K11-ch2 val=-13.5035 values=-13.270000 -13.737000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    11 and name   CD)
       ( resid    11 and name  HD#) -9.0460 100.0000  0.0000
! K11-ch2 val=-9.0460 values=-9.046000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    11 and name   CG)
       ( resid    11 and name  HG#) -8.0310 100.0000  0.0000
! K11-ch2 val=-8.0310 values=-8.407000 -7.655000

! T12-ch1 val=11.3000 values=11.300000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    12 and name   CB)
       ( resid    12 and name   HB) 10.7700  0.0000  0.0000
! T12-ch1 val=10.7700 values=10.770000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    12 and name  CG2)
       ( resid    12 and name   CB) -14.2100  0.0000  0.0000
! T12-ch3 val=-14.2100 values=14.210000

! I13-ch1 val=18.3460 values=18.346001

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    13 and name   CB)
       ( resid    13 and name   HB) 15.2810  0.0000 100.0000
! I13-ch1 val=15.2810 values=15.281000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    13 and name  CD1)
       ( resid    13 and name  CG1) -0.8110 100.0000  0.0000
! I13-ch3 val=-0.8110 values=0.811000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    13 and name  CG2)
       ( resid    13 and name   CB)  4.2910  0.0000 100.0000
! I13-ch3 val=4.2910 values=-4.291000

! T14-ch1 val=24.7330 values=24.733000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    14 and name   CB)
       ( resid    14 and name   HB) 14.8510  0.0000 100.0000
! T14-ch1 val=14.8510 values=14.851000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    14 and name  CG2)
       ( resid    14 and name   CB) -20.9350 100.0000  0.0000
! T14-ch3 val=-20.9350 values=20.934999

! L15-ch1 val=22.8980 values=22.898001

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    15 and name   CB)
       ( resid    15 and name  HB#) 31.8975  0.0000 100.0000
! L15-ch2 val=31.8975 values=31.964001 31.830999

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    15 and name  CD2)
       ( resid    15 and name   CG) 11.5980  0.0000 100.0000
! L15-ch3 val=11.5980 values=-11.598000

! E16-ch1 val=8.3010 values=8.301000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    16 and name   CB)
       ( resid    16 and name  HB#)  6.3575  0.0000 100.0000
! E16-ch2 val=6.3575 values=6.499000 6.216000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    16 and name   CG)
       ( resid    16 and name  HG#) 18.2715  0.0000 100.0000
! E16-ch2 val=18.2715 values=18.537001 18.006001

! V17-ch1 val=17.9190 values=17.919001

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    17 and name  CG1)
       ( resid    17 and name   CB) -28.5110  0.0000  0.0000
! V17-ch3 val=-28.5110 values=28.511000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    17 and name  CG2)
       ( resid    17 and name   CB) 17.2740  0.0000  0.0000
! V17-ch3 val=17.2740 values=-17.274000

! E18-ch1 val=-14.9170 values=-14.917000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    18 and name   CB)
       ( resid    18 and name  HB#) -25.0837  0.0000  0.0000
! E18-ch2 val=-25.0837 values=-24.329000 -24.112000 -25.327999 -26.566000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    18 and name   CG)
       ( resid    18 and name  HG#)  6.7505  0.0000 100.0000
! E18-ch2 val=6.7505 values=6.908000 6.593000

! P19-ch1 val=-6.8720 values=-6.872000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    19 and name   CD)
       ( resid    19 and name  HD#) 21.5830  0.0000 100.0000
! P19-ch2 val=21.5830 values=21.684999 21.481001

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    19 and name   CG)
       ( resid    19 and name  HG#) -18.8950 100.0000  0.0000
! P19-ch2 val=-18.8950 values=-18.895000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    20 and name   CB)
       ( resid    20 and name  HB#) -7.3207  0.0000  0.0000
! S20-ch2 val=-7.3207 values=-7.429000 -7.258000 -7.275000

! D21-ch1 val=24.8860 values=24.886000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    21 and name   CB)
       ( resid    21 and name  HB#) -21.1605  0.0000  0.0000
! D21-ch2 val=-21.1605 values=-21.020000 -21.301001

! T22-ch1 val=20.3720 values=20.372000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    22 and name   CB)
       ( resid    22 and name   HB) -17.7980  0.0000  0.0000
! T22-ch1 val=-17.7980 values=-17.798000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    22 and name  CG2)
       ( resid    22 and name   CB) -2.9040  0.0000  0.0000
! T22-ch3 val=-2.9040 values=2.904000

! I23-ch1 val=6.7800 values=6.780000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    23 and name   CB)
       ( resid    23 and name   HB) 10.3140  0.0000  0.0000
! I23-ch1 val=10.3140 values=10.314000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    23 and name  CD1)
       ( resid    23 and name  CG1)  4.7740  0.0000 100.0000
! I23-ch3 val=4.7740 values=-4.774000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    23 and name  CG1)
       ( resid    23 and name HG1#) -0.8130 100.0000  0.0000
! I23-ch2 val=-0.8130 values=-1.081000 -0.545000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    23 and name  CG2)
       ( resid    23 and name   CB) -22.0290  0.0000  0.0000
! I23-ch3 val=-22.0290 values=22.028999

! E24-ch1 val=-28.1920 values=-28.191999

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    24 and name   CB)
       ( resid    24 and name  HB#) -12.1300 100.0000  0.0000
! E24-ch2 val=-12.1300 values=-12.130000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    24 and name   CG)
       ( resid    24 and name  HG#) -5.0340 100.0000  0.0000
! E24-ch2 val=-5.0340 values=-5.310000 -4.758000

! N25-ch1 val=15.1620 values=15.162000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    25 and name   CB)
       ( resid    25 and name  HB#) 22.4175  0.0000 100.0000
! N25-ch2 val=22.4175 values=22.490000 22.344999

! V26-ch1 val=-5.2050 values=-5.205000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    26 and name   CB)
       ( resid    26 and name   HB) -2.7790  0.0000  0.0000
! V26-ch1 val=-2.7790 values=-2.779000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    26 and name  CG1)
       ( resid    26 and name   CB) 13.3600  0.0000  0.0000
! V26-ch3 val=13.3600 values=-13.360000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    26 and name  CG2)
       ( resid    26 and name   CB) -34.5910  0.0000  0.0000
! V26-ch3 val=-34.5910 values=34.591000

! K27-ch1 val=15.6350 values=15.635000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    27 and name   CB)
       ( resid    27 and name  HB#) -12.9125  0.0000  0.0000
! K27-ch2 val=-12.9125 values=-12.153000 -13.672000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    27 and name   CE)
       ( resid    27 and name  HE#) -10.5870 100.0000  0.0000
! K27-ch2 val=-10.5870 values=-10.587000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    27 and name   CG)
       ( resid    27 and name  HG#) 28.4600  0.0000 100.0000
! K27-ch2 val=28.4600 values=28.212000 28.708000

! A28-ch1 val=-36.4040 values=-36.403999

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    28 and name   CB)
       ( resid    28 and name   CA)  3.0000  0.0000  0.0000
! A28-ch3 val=3.0000 values=-3.000000

! K29-ch1 val=23.0280 values=23.028000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    29 and name   CD)
       ( resid    29 and name  HD#) 26.3010  0.0000 100.0000
! K29-ch2 val=26.3010 values=26.301001

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    29 and name   CE)
       ( resid    29 and name  HE#) 14.6780  0.0000 100.0000
! K29-ch2 val=14.6780 values=14.678000

! I30-ch1 val=5.2260 values=5.226000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    30 and name   CB)
       ( resid    30 and name   HB) 11.7760  0.0000  0.0000
! I30-ch1 val=11.7760 values=11.776000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    30 and name  CD1)
       ( resid    30 and name  CG1) 18.2170  0.0000 100.0000
! I30-ch3 val=18.2170 values=-18.216999

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    30 and name  CG1)
       ( resid    30 and name HG1#) -5.8790 100.0000  0.0000
! I30-ch2 val=-5.8790 values=-5.879000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    30 and name  CG2)
       ( resid    30 and name   CB) -18.7680  0.0000  0.0000
! I30-ch3 val=-18.7680 values=18.768000

! Q31-ch1 val=-22.9430 values=-22.943001

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    31 and name   CB)
       ( resid    31 and name  HB#) -9.8110  0.0000  0.0000
! Q31-ch2 val=-9.8110 values=-9.811000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    31 and name   CG)
       ( resid    31 and name  HG#) -7.6600 100.0000  0.0000
! Q31-ch2 val=-7.6600 values=-7.701000 -7.619000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    32 and name   CB)
       ( resid    32 and name  HB#) 18.8520  0.0000 100.0000
! D32-ch2 val=18.8520 values=18.851999

! K33-ch1 val=14.5000 values=14.500000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    33 and name   CB)
       ( resid    33 and name  HB#) 20.8190  0.0000  0.0000
! K33-ch2 val=20.8190 values=20.757000 20.881001

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    33 and name   CD)
       ( resid    33 and name  HD#) 17.0990  0.0000 100.0000
! K33-ch2 val=17.0990 values=17.099001

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    33 and name   CE)
       ( resid    33 and name  HE#) 13.6080  0.0000 100.0000
! K33-ch2 val=13.6080 values=13.608000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    33 and name   CG)
       ( resid    33 and name  HG#) 22.1710  0.0000 100.0000
! K33-ch2 val=22.1710 values=22.171000

! E34-ch1 val=16.4780 values=16.478001

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    34 and name   CB)
       ( resid    34 and name  HB#) -17.1470 100.0000  0.0000
! E34-ch2 val=-17.1470 values=-17.964001 -16.330000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    34 and name   CG)
       ( resid    34 and name  HG#)  8.7730  0.0000 100.0000
! E34-ch2 val=8.7730 values=8.773000

! G35-ch2 val=16.1235 values=16.230000 16.017000

! I36-ch1 val=-37.9860 values=-37.986000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    36 and name   CB)
       ( resid    36 and name   HB) -33.2470  0.0000  0.0000
! I36-ch1 val=-33.2470 values=-33.247002

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    36 and name  CD1)
       ( resid    36 and name  CG1) -4.6110 100.0000  0.0000
! I36-ch3 val=-4.6110 values=4.611000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    36 and name  CG2)
       ( resid    36 and name   CB) -0.7670  0.0000  0.0000
! I36-ch3 val=-0.7670 values=0.767000

! P37-ch1 val=-3.4290 values=-3.429000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    37 and name   CD)
       ( resid    37 and name  HD#) 31.2950  0.0000 100.0000
! P37-ch2 val=31.2950 values=31.368999 31.221001

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    37 and name   CG)
       ( resid    37 and name  HG#) -13.3880 100.0000  0.0000
! P37-ch2 val=-13.3880 values=-13.388000

! P38-ch1 val=3.8040 values=3.804000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    38 and name   CD)
       ( resid    38 and name  HD#)  8.2410  0.0000 100.0000
! P38-ch2 val=8.2410 values=8.241000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    38 and name   CG)
       ( resid    38 and name  HG#) -3.8770 100.0000  0.0000
! P38-ch2 val=-3.8770 values=-3.877000

! D39-ch1 val=5.4760 values=5.476000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    39 and name   CB)
       ( resid    39 and name  HB#)  4.5755  0.0000 100.0000
! D39-ch2 val=4.5755 values=4.530000 4.621000

! Q40-ch1 val=-11.6040 values=-11.604000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    40 and name   CB)
       ( resid    40 and name  HB#)  5.9250  0.0000  0.0000
! Q40-ch2 val=5.9250 values=5.925000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    40 and name   CG)
       ( resid    40 and name  HG#) 12.3350  0.0000 100.0000
! Q40-ch2 val=12.3350 values=12.335000

! Q41-ch1 val=11.7480 values=11.748000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    41 and name   CG)
       ( resid    41 and name  HG#)  5.8290  0.0000 100.0000
! Q41-ch2 val=5.8290 values=5.829000

! R42-ch1 val=12.5700 values=12.570000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    42 and name   CB)
       ( resid    42 and name  HB#) 11.0390  0.0000 100.0000
! R42-ch2 val=11.0390 values=11.007000 11.071000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    42 and name   CD)
       ( resid    42 and name  HD#)  5.5520  0.0000 100.0000
! R42-ch2 val=5.5520 values=5.552000

! L43-ch1 val=14.8130 values=14.813000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    43 and name   CB)
       ( resid    43 and name  HB#) -4.1140  0.0000  0.0000
! L43-ch2 val=-4.1140 values=-4.114000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    43 and name  CD1)
       ( resid    43 and name   CG) -9.8150 100.0000  0.0000
! L43-ch3 val=-9.8150 values=9.815000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    43 and name  CD2)
       ( resid    43 and name   CG)  9.5000  0.0000 100.0000
! L43-ch3 val=9.5000 values=-9.500000

! I44-ch1 val=16.8520 values=16.851999

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    44 and name   CB)
       ( resid    44 and name   HB) 15.4970  0.0000 100.0000
! I44-ch1 val=15.4970 values=15.497000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    44 and name  CD1)
       ( resid    44 and name  CG1) -5.4430 100.0000  0.0000
! I44-ch3 val=-5.4430 values=5.443000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    44 and name  CG1)
       ( resid    44 and name HG1#) 30.8570  0.0000 100.0000
! I44-ch2 val=30.8570 values=30.857000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    44 and name  CG2)
       ( resid    44 and name   CB) 20.0240  0.0000 100.0000
! I44-ch3 val=20.0240 values=-20.024000

! F45-ch1 val=17.0260 values=17.025999

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    45 and name   CB)
       ( resid    45 and name  HB#) 40.9320  0.0000  0.0000
! F45-ch2 val=40.9320 values=41.067001 41.382000 40.347000

! A46-ch1 val=16.8020 values=16.802000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    46 and name   CB)
       ( resid    46 and name   CA) -28.5610  0.0000  0.0000
! A46-ch3 val=-28.5610 values=28.561001

! G47-ch2 val=7.6990 values=7.826000 7.572000

! K48-ch1 val=-14.5340 values=-14.534000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    48 and name   CB)
       ( resid    48 and name  HB#)  8.5390  0.0000 100.0000
! K48-ch2 val=8.5390 values=8.539000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    48 and name   CD)
       ( resid    48 and name  HD#)  3.5910  0.0000 100.0000
! K48-ch2 val=3.5910 values=3.591000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    48 and name   CE)
       ( resid    48 and name  HE#)  0.8070  0.0000 100.0000
! K48-ch2 val=0.8070 values=0.807000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    48 and name   CG)
       ( resid    48 and name  HG#)  0.4770  0.0000 100.0000
! K48-ch2 val=0.4770 values=0.477000

! Q49-ch1 val=17.0350 values=17.035000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    49 and name   CB)
       ( resid    49 and name  HB#) 25.0790  0.0000 100.0000
! Q49-ch2 val=25.0790 values=25.079000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    49 and name   CG)
       ( resid    49 and name  HG#) 12.7450  0.0000 100.0000
! Q49-ch2 val=12.7450 values=12.745000

! L50-ch1 val=2.1020 values=2.102000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    50 and name   CB)
       ( resid    50 and name  HB#) -5.7340  0.0000  0.0000
! L50-ch2 val=-5.7340 values=-5.706000 -5.762000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    50 and name  CD1)
       ( resid    50 and name   CG)  0.5800  0.0000 100.0000
! L50-ch3 val=0.5800 values=-0.580000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    50 and name  CD2)
       ( resid    50 and name   CG)  3.3880  0.0000 100.0000
! L50-ch3 val=3.3880 values=-3.388000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    50 and name   CG)
       ( resid    50 and name   HG) -14.1220 100.0000  0.0000
! L50-ch1 val=-14.1220 values=-14.122000

! E51-ch1 val=-36.6040 values=-36.604000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    51 and name   CB)
       ( resid    51 and name  HB#) -19.3470  0.0000  0.0000
! E51-ch2 val=-19.3470 values=-19.429001 -19.264999

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    51 and name   CG)
       ( resid    51 and name  HG#) -0.2000 100.0000  0.0000
! E51-ch2 val=-0.2000 values=-0.200000

! D52-ch1 val=4.6550 values=4.655000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    52 and name   CB)
       ( resid    52 and name  HB#) 17.7295  0.0000  0.0000
! D52-ch2 val=17.7295 values=17.011999 18.447001

! G53-ch2 val=29.1760 values=28.709999 29.642000

! R54-ch1 val=-3.0650 values=-3.065000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    54 and name   CD)
       ( resid    54 and name  HD#) -6.1905 100.0000  0.0000
! R54-ch2 val=-6.1905 values=-6.238000 -6.143000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    54 and name   CG)
       ( resid    54 and name  HG#) -13.1280 100.0000  0.0000
! R54-ch2 val=-13.1280 values=-12.735000 -13.521000

! T55-ch1 val=12.8990 values=12.899000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    55 and name   CB)
       ( resid    55 and name   HB)  2.5940  0.0000  0.0000
! T55-ch1 val=2.5940 values=2.594000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    55 and name  CG2)
       ( resid    55 and name   CB) 19.1080  0.0000  0.0000
! T55-ch3 val=19.1080 values=-19.108000

! L56-ch1 val=-20.8260 values=-20.826000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    56 and name   CB)
       ( resid    56 and name  HB#) -4.7250  0.0000  0.0000
! L56-ch2 val=-4.7250 values=-4.617000 -4.833000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    56 and name  CD2)
       ( resid    56 and name   CG) -14.2760 100.0000  0.0000
! L56-ch3 val=-14.2760 values=14.276000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    56 and name   CG)
       ( resid    56 and name   HG) 15.1140  0.0000 100.0000
! L56-ch1 val=15.1140 values=15.114000

! S57-ch1 val=8.9290 values=8.929000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    57 and name   CB)
       ( resid    57 and name  HB#) 12.4205  0.0000 100.0000
! S57-ch2 val=12.4205 values=12.436000 12.405000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    58 and name   CB)
       ( resid    58 and name  HB#)  1.1525  0.0000  0.0000
! D58-ch2 val=1.1525 values=1.382000 0.923000

! Y59-ch1 val=17.2540 values=17.254000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    59 and name   CB)
       ( resid    59 and name  HB#) 37.2218  0.0000  0.0000
! Y59-ch2 val=37.2218 values=37.435001 39.445000 36.182999 35.824001

! N60-ch1 val=-20.7590 values=-20.759001

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    60 and name   CB)
       ( resid    60 and name  HB#) -10.5545 100.0000  0.0000
! N60-ch2 val=-10.5545 values=-10.654000 -10.675000 -10.593000 -10.296000

! I61-ch1 val=18.9480 values=18.948000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    61 and name   CB)
       ( resid    61 and name   HB) 17.5490  0.0000  0.0000
! I61-ch1 val=17.5490 values=17.549000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    61 and name  CD1)
       ( resid    61 and name  CG1) -12.4080 100.0000  0.0000
! I61-ch3 val=-12.4080 values=12.408000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    61 and name  CG1)
       ( resid    61 and name HG1#) 34.2115  0.0000 100.0000
! I61-ch2 val=34.2115 values=34.332001 34.091000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    61 and name  CG2)
       ( resid    61 and name   CB) 15.8410  0.0000  0.0000
! I61-ch3 val=15.8410 values=-15.841000

! Q62-ch1 val=5.4260 values=5.426000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    62 and name   CB)
       ( resid    62 and name  HB#) -20.8790  0.0000  0.0000
! Q62-ch2 val=-20.8790 values=-20.681000 -21.077000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    62 and name   CG)
       ( resid    62 and name  HG#) -13.2400 100.0000  0.0000
! Q62-ch2 val=-13.2400 values=-13.240000

! K63-ch1 val=6.7040 values=6.704000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    63 and name   CB)
       ( resid    63 and name  HB#) 26.4620  0.0000  0.0000
! K63-ch2 val=26.4620 values=27.448999 25.475000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    63 and name   CD)
       ( resid    63 and name  HD#) 22.7930  0.0000 100.0000
! K63-ch2 val=22.7930 values=22.792999

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    63 and name   CE)
       ( resid    63 and name  HE#)  8.5250  0.0000 100.0000
! K63-ch2 val=8.5250 values=8.525000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    63 and name   CG)
       ( resid    63 and name  HG#) 25.6110  0.0000 100.0000
! K63-ch2 val=25.6110 values=25.611000

! E64-ch1 val=6.7840 values=6.784000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    64 and name   CB)
       ( resid    64 and name  HB#)  4.9580  0.0000  0.0000
! E64-ch2 val=4.9580 values=5.114000 4.802000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    64 and name   CG)
       ( resid    64 and name  HG#) -6.4820 100.0000  0.0000
! E64-ch2 val=-6.4820 values=-6.630000 -6.334000

! S65-ch1 val=25.4700 values=25.469999

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    65 and name   CB)
       ( resid    65 and name  HB#) -4.5680  0.0000  0.0000
! S65-ch2 val=-4.5680 values=-4.303000 -4.833000

! T66-ch1 val=26.9410 values=26.941000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    66 and name   CB)
       ( resid    66 and name   HB) 24.3240  0.0000  0.0000
! T66-ch1 val=24.3240 values=24.323999

! L67-ch1 val=23.7840 values=23.784000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    67 and name  CD1)
       ( resid    67 and name   CG) -6.8890 100.0000  0.0000
! L67-ch3 val=-6.8890 values=6.889000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    67 and name  CD2)
       ( resid    67 and name   CG) 16.0200  0.0000 100.0000
! L67-ch3 val=16.0200 values=-16.020000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    67 and name   CG)
       ( resid    67 and name   HG)  4.1930  0.0000 100.0000
! L67-ch1 val=4.1930 values=4.193000

! H68-ch1 val=17.0500 values=17.049999

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    68 and name   CB)
       ( resid    68 and name  HB#) -19.4268  0.0000  0.0000
! H68-ch2 val=-19.4268 values=-19.275999 -20.186001 -18.929001 -19.316000

! L69-ch1 val=15.7550 values=15.755000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    69 and name  CD1)
       ( resid    69 and name   CG)  2.6550  0.0000 100.0000
! L69-ch3 val=2.6550 values=-2.655000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    69 and name  CD2)
       ( resid    69 and name   CG) 18.2170  0.0000 100.0000
! L69-ch3 val=18.2170 values=-18.216999

! V70-ch1 val=13.8650 values=13.865000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    70 and name   CB)
       ( resid    70 and name   HB) -10.1820 100.0000  0.0000
! V70-ch1 val=-10.1820 values=-10.182000

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    70 and name  CG2)
       ( resid    70 and name   CB)  8.2060  0.0000 100.0000
! V70-ch3 val=8.2060 values=-8.206000


assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     2 and name    N)
       ( resid     2 and name   HN) -15.5240  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     3 and name    N)
       ( resid     3 and name   HN) 10.5210  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     4 and name    N)
       ( resid     4 and name   HN)  9.6480  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     5 and name    N)
       ( resid     5 and name   HN)  6.0820  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     6 and name    N)
       ( resid     6 and name   HN)  3.8540  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     7 and name    N)
       ( resid     7 and name   HN) -3.4030  0.0000  0.0000
{
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     8 and name    N)
       ( resid     8 and name   HN) 15.0550  0.0000  0.0000
}
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    11 and name    N)
       ( resid    11 and name   HN) -16.9380  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    12 and name    N)
       ( resid    12 and name   HN)  2.5050  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    13 and name    N)
       ( resid    13 and name   HN)  0.7000  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    14 and name    N)
       ( resid    14 and name   HN)  6.4350  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    15 and name    N)
       ( resid    15 and name   HN) 14.1970  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    16 and name    N)
       ( resid    16 and name   HN)  0.0770  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    17 and name    N)
       ( resid    17 and name   HN)  1.9640  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    18 and name    N)
       ( resid    18 and name   HN) -20.1150  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    20 and name    N)
       ( resid    20 and name   HN) -12.0890  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    21 and name    N)
       ( resid    21 and name   HN)  4.5830  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    22 and name    N)
       ( resid    22 and name   HN) 23.7300  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    23 and name    N)
       ( resid    23 and name   HN)  3.8320  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    25 and name    N)
       ( resid    25 and name   HN) -2.5470  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    26 and name    N)
       ( resid    26 and name   HN)  3.1720  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    27 and name    N)
       ( resid    27 and name   HN)  5.0740  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    28 and name    N)
       ( resid    28 and name   HN) -1.7580  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    29 and name    N)
       ( resid    29 and name   HN)  2.7170  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    30 and name    N)
       ( resid    30 and name   HN)  3.6190  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    31 and name    N)
       ( resid    31 and name   HN)  4.8700  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    32 and name    N)
       ( resid    32 and name   HN) -3.4660  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    33 and name    N)
       ( resid    33 and name   HN)  3.3580  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    34 and name    N)
       ( resid    34 and name   HN)  4.3640  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    35 and name    N)
       ( resid    35 and name   HN) -13.4890  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    36 and name    N)
       ( resid    36 and name   HN) -24.3680  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    39 and name    N)
       ( resid    39 and name   HN) 17.7240  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    40 and name    N)
       ( resid    40 and name   HN)  0.1560  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    41 and name    N)
       ( resid    41 and name   HN) 26.4000  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    42 and name    N)
       ( resid    42 and name   HN) 11.6070  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    43 and name    N)
       ( resid    43 and name   HN) 13.3300  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    44 and name    N)
       ( resid    44 and name   HN)  4.3690  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    45 and name    N)
       ( resid    45 and name   HN) -2.9960  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    46 and name    N)
       ( resid    46 and name   HN)  1.1860  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    47 and name    N)
       ( resid    47 and name   HN)  4.3860  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    48 and name    N)
       ( resid    48 and name   HN) -22.9700  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    49 and name    N)
       ( resid    49 and name   HN) -2.8300  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    50 and name    N)
       ( resid    50 and name   HN)  3.9210  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    54 and name    N)
       ( resid    54 and name   HN) -5.5300  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    55 and name    N)
       ( resid    55 and name   HN)  2.2540  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    56 and name    N)
       ( resid    56 and name   HN) 19.0410  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    57 and name    N)
       ( resid    57 and name   HN) 25.2620  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    58 and name    N)
       ( resid    58 and name   HN) 12.0820  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    59 and name    N)
       ( resid    59 and name   HN) 12.0290  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    60 and name    N)
       ( resid    60 and name   HN) 25.0310  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    61 and name    N)
       ( resid    61 and name   HN) 19.0710  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    62 and name    N)
       ( resid    62 and name   HN) 16.2550  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    63 and name    N)
       ( resid    63 and name   HN) -15.4330  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    64 and name    N)
       ( resid    64 and name   HN) 22.5970  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    65 and name    N)
       ( resid    65 and name   HN) 19.7520  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    66 and name    N)
       ( resid    66 and name   HN) 16.2160  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    67 and name    N)
       ( resid    67 and name   HN)  8.1350  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    68 and name    N)
       ( resid    68 and name   HN)  4.5680  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    69 and name    N)
       ( resid    69 and name   HN)  6.5650  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    70 and name    N)
       ( resid    70 and name   HN) 13.4970  0.0000  0.0000


! RES ATOM1->ATOM2 Coupling AverageC RmStdDev
!  36     N->HN    -24.3680 -24.3680   0.0000
!  48     N->HN    -22.9700 -23.6690   0.6990
!  18     N->HN    -20.1150 -22.4843   1.7699
!  11     N->HN    -16.9380 -21.0977   2.8491
!   2     N->HN    -15.5240 -19.9830   3.3859
!  63     N->HN    -15.4330 -19.2247   3.5255
!  35     N->HN    -13.4890 -18.4053   3.8317
!  20     N->HN    -12.0890 -17.6157   4.1485
!  54     N->HN     -5.5300 -16.2729   5.4520
!  32     N->HN     -3.4660 -14.9922   6.4431
!   7     N->HN     -3.4030 -13.9386   6.9885
!  45     N->HN     -2.9960 -13.0267   7.3428
!  49     N->HN     -2.8300 -12.2424   7.5599
!  25     N->HN     -2.5470 -11.5499   7.7009
!  28     N->HN     -1.7580 -10.8971   7.8305
!  16     N->HN      0.0770 -10.2112   8.0337
!  40     N->HN      0.1560  -9.6014   8.1667
!  13     N->HN      0.7000  -9.0291   8.2799
!  46     N->HN      1.1860  -8.4914   8.3757
!  76     N->HN      1.7000  -7.9818   8.4604
!  17     N->HN      1.9640  -7.5082   8.5238
!  55     N->HN      2.2540  -7.0645   8.5725
!  12     N->HN      2.5050  -6.6484   8.6082
!  29     N->HN      2.7170  -6.2582   8.6323
!  26     N->HN      3.1720  -5.8810   8.6574
!  33     N->HN      3.3580  -5.5256   8.6732
!  30     N->HN      3.6190  -5.1870   8.6845
!  23     N->HN      3.8320  -4.8649   8.6907
!   6     N->HN      3.8540  -4.5642   8.6865
!  75     N->HN      3.8990  -4.2821   8.6745
!  50     N->HN      3.9210  -4.0175   8.6557
!  34     N->HN      4.3640  -3.7556   8.6433
!  44     N->HN      4.3690  -3.5094   8.6245
!  47     N->HN      4.3860  -3.2771   8.6008
!  68     N->HN      4.5680  -3.0530   8.5772
!  21     N->HN      4.5830  -2.8409   8.5498
!  31     N->HN      4.8700  -2.6325   8.5257
!  27     N->HN      5.0740  -2.4297   8.5027
!   5     N->HN      6.0820  -2.2114   8.5002
!  14     N->HN      6.4350  -1.9953   8.5011
!  69     N->HN      6.5650  -1.7865   8.5000
!  74     N->HN      6.6000  -1.5868   8.4950
!  67     N->HN      8.1350  -1.3607   8.5225
!   4     N->HN      9.6480  -1.1105   8.5834
!   3     N->HN     10.5210  -0.8520   8.6589
!  42     N->HN     11.6070  -0.5812   8.7549
!  59     N->HN     12.0290  -0.3129   8.8503
!  73     N->HN     12.0590  -0.0551   8.9342
!  58     N->HN     12.0820   0.1926   9.0075
!  72     N->HN     12.5540   0.4398   9.0833
!  43     N->HN     13.3300   0.6925   9.1697
!  70     N->HN     13.4970   0.9388   9.2498
!  15     N->HN     14.1970   1.1889   9.3380
!   8     N->HN     15.0550   1.4457   9.4381
!  66     N->HN     16.2160   1.7143   9.5579
!  62     N->HN     16.2550   1.9739   9.6659
!  39     N->HN     17.7240   2.2502   9.8013
!  56     N->HN     19.0410   2.5397   9.9593
!  61     N->HN     19.0710   2.8199  10.1025
!  65     N->HN     19.7520   3.1021  10.2497
!  71     N->HN     21.2970   3.4004  10.4246
!  64     N->HN     22.5970   3.7100  10.6192
!  22     N->HN     23.7300   4.0278  10.8277
!  60     N->HN     25.0310   4.3560  11.0541
!  57     N->HN     25.2620   4.6776  11.2665
!  41     N->HN     26.4000   5.0067  11.4913

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     2 and name   HN)
       ( resid     1 and name    C)  3.9930  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     3 and name   HN)
       ( resid     2 and name    C) -5.6460  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     4 and name   HN)
       ( resid     3 and name    C)  1.0410  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     5 and name   HN)
       ( resid     4 and name    C)  0.8350  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     6 and name   HN)
       ( resid     5 and name    C)  3.2590  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     7 and name   HN)
       ( resid     6 and name    C)  1.0210  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     8 and name   HN)
       ( resid     7 and name    C) -4.0420  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     9 and name   HN)
       ( resid     8 and name    C)  3.8140  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    11 and name   HN)
       ( resid    10 and name    C)  2.5120  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    12 and name   HN)
       ( resid    11 and name    C) -5.6940  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    13 and name   HN)
       ( resid    12 and name    C)  1.6090  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    14 and name   HN)
       ( resid    13 and name    C)  1.4590  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    15 and name   HN)
       ( resid    14 and name    C)  1.1820  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    16 and name   HN)
       ( resid    15 and name    C)  7.2350  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    17 and name   HN)
       ( resid    16 and name    C) -0.0560  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    18 and name   HN)
       ( resid    17 and name    C)  0.4890  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    20 and name   HN)
       ( resid    19 and name    C)  3.4180  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    21 and name   HN)
       ( resid    20 and name    C)  3.7410  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    22 and name   HN)
       ( resid    21 and name    C)  2.4370  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    23 and name   HN)
       ( resid    22 and name    C) -0.1870  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    25 and name   HN)
       ( resid    24 and name    C) -6.7310  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    26 and name   HN)
       ( resid    25 and name    C)  3.8600  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    27 and name   HN)
       ( resid    26 and name    C) -1.9220  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    28 and name   HN)
       ( resid    27 and name    C)  2.5170  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    29 and name   HN)
       ( resid    28 and name    C) -2.9030  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    30 and name   HN)
       ( resid    29 and name    C)  2.8940  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    31 and name   HN)
       ( resid    30 and name    C)  5.1520  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    32 and name   HN)
       ( resid    31 and name    C) -6.5170  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    33 and name   HN)
       ( resid    32 and name    C)  4.6050  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    34 and name   HN)
       ( resid    33 and name    C) -0.2320  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    35 and name   HN)
       ( resid    34 and name    C)  4.5480  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    36 and name   HN)
       ( resid    35 and name    C) -1.7810  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    39 and name   HN)
       ( resid    38 and name    C) -1.9270  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    40 and name   HN)
       ( resid    39 and name    C) -0.2440  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    41 and name   HN)
       ( resid    40 and name    C)  0.1220  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    42 and name   HN)
       ( resid    41 and name    C)  7.7690  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    43 and name   HN)
       ( resid    42 and name    C)  0.7900  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    44 and name   HN)
       ( resid    43 and name    C)  4.4780  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    45 and name   HN)
       ( resid    44 and name    C) -0.5830  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    46 and name   HN)
       ( resid    45 and name    C)  3.0230  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    47 and name   HN)
       ( resid    46 and name    C) -2.6300  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    48 and name   HN)
       ( resid    47 and name    C) -2.1030  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    49 and name   HN)
       ( resid    48 and name    C) -5.4520  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    50 and name   HN)
       ( resid    49 and name    C)  1.6580  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    51 and name   HN)
       ( resid    50 and name    C) -1.2430  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    52 and name   HN)
       ( resid    51 and name    C) -6.2260  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    54 and name   HN)
       ( resid    53 and name    C)  6.5670  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    55 and name   HN)
       ( resid    54 and name    C) -5.6250  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    56 and name   HN)
       ( resid    55 and name    C)  1.0620  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    57 and name   HN)
       ( resid    56 and name    C)  5.9790  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    58 and name   HN)
       ( resid    57 and name    C) -2.3260  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    59 and name   HN)
       ( resid    58 and name    C)  0.8730  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    60 and name   HN)
       ( resid    59 and name    C) -0.1130  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    61 and name   HN)
       ( resid    60 and name    C)  5.5660  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    62 and name   HN)
       ( resid    61 and name    C)  7.3490  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    63 and name   HN)
       ( resid    62 and name    C) -8.5390  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    64 and name   HN)
       ( resid    63 and name    C)  1.3760  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    65 and name   HN)
       ( resid    64 and name    C)  5.7400  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    66 and name   HN)
       ( resid    65 and name    C)  5.0400  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    67 and name   HN)
       ( resid    66 and name    C)  4.0810  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    68 and name   HN)
       ( resid    67 and name    C) -2.6610  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    69 and name   HN)
       ( resid    68 and name    C)  0.2800  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    70 and name   HN)
       ( resid    69 and name    C)  1.3770  0.0000  0.0000


! RES ATOM1->ATOM2 Coupling AverageC RmStdDev
!  63    HN->C      -8.5390  -8.5390   0.0000
!  25    HN->C      -6.7310  -7.6350   0.9040
!  32    HN->C      -6.5170  -7.2623   0.9070
!  52    HN->C      -6.2260  -7.0033   0.9046
!  12    HN->C      -5.6940  -6.7414   0.9638
!   3    HN->C      -5.6460  -6.5588   0.9699
!  55    HN->C      -5.6250  -6.4254   0.9556
!  49    HN->C      -5.4520  -6.3037   0.9501
!   8    HN->C      -4.0420  -6.0524   1.1435
!  29    HN->C      -2.9030  -5.7375   1.4386
!  68    HN->C      -2.6610  -5.4578   1.6321
!  47    HN->C      -2.6300  -5.2222   1.7471
!  58    HN->C      -2.3260  -4.9994   1.8475
!  48    HN->C      -2.1030  -4.7925   1.9303
!  39    HN->C      -1.9270  -4.6015   1.9971
!  27    HN->C      -1.9220  -4.4340   2.0396
!  36    HN->C      -1.7810  -4.2779   2.0748
!  51    HN->C      -1.2430  -4.1093   2.1328
!  76    HN->C      -0.8090  -3.9356   2.2029
!  71    HN->C      -0.6670  -3.7722   2.2622
!  45    HN->C      -0.5830  -3.6203   2.3098
!  40    HN->C      -0.2440  -3.4669   2.3637
!  34    HN->C      -0.2320  -3.3262   2.4040
!  23    HN->C      -0.1870  -3.1954   2.4356
!  60    HN->C      -0.1130  -3.0721   2.4616
!  17    HN->C      -0.0560  -2.9561   2.4825
!  41    HN->C       0.1220  -2.8421   2.5045
!  69    HN->C       0.2800  -2.7306   2.5267
!  18    HN->C       0.4890  -2.6196   2.5513
!  43    HN->C       0.7900  -2.5059   2.5820
!   5    HN->C       0.8350  -2.3982   2.6077
!  75    HN->C       0.8660  -2.2962   2.6288
!  59    HN->C       0.8730  -2.2001   2.6450
!   7    HN->C       1.0210  -2.1054   2.6620
!   4    HN->C       1.0410  -2.0155   2.6756
!  56    HN->C       1.0620  -1.9300   2.6862
!  15    HN->C       1.1820  -1.8459   2.6973
!  74    HN->C       1.2490  -1.7645   2.7073
!  64    HN->C       1.3760  -1.6839   2.7180
!  70    HN->C       1.3770  -1.6074   2.7261
!  14    HN->C       1.4590  -1.5326   2.7339
!  73    HN->C       1.5370  -1.4595   2.7414
!  13    HN->C       1.6090  -1.3882   2.7485
!  50    HN->C       1.6580  -1.3189   2.7547
!  22    HN->C       2.4370  -1.2355   2.7797
!  11    HN->C       2.5120  -1.1540   2.8031
!  28    HN->C       2.5170  -1.0759   2.8232
!  30    HN->C       2.8940  -0.9932   2.8506
!  46    HN->C       3.0230  -0.9112   2.8780
!   6    HN->C       3.2590  -0.8278   2.9082
!  20    HN->C       3.4180  -0.7446   2.9391
!  21    HN->C       3.7410  -0.6583   2.9752
!   9    HN->C       3.8140  -0.5739   3.0092
!  26    HN->C       3.8600  -0.4918   3.0405
!   2    HN->C       3.9930  -0.4103   3.0718
!  67    HN->C       4.0810  -0.3301   3.1018
!  44    HN->C       4.4780  -0.2457   3.1386
!  35    HN->C       4.5480  -0.1631   3.1734
!  33    HN->C       4.6050  -0.0823   3.2060
!  66    HN->C       5.0400   0.0031   3.2461
!  31    HN->C       5.1520   0.0875   3.2851
!  61    HN->C       5.5660   0.1759   3.3308
!  65    HN->C       5.7400   0.2642   3.3766
!  57    HN->C       5.9790   0.3535   3.4243
!  54    HN->C       6.5670   0.4491   3.4828
!  16    HN->C       7.2350   0.5519   3.5544
!  62    HN->C       7.3490   0.6534   3.6227
!  72    HN->C       7.5250   0.7544   3.6899
!  42    HN->C       7.7690   0.8561   3.7578

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     1 and name   CA)
       ( resid     1 and name   HA) -38.3410  0.0000  0.0000
! M1-ch1 val=-38.3410 values=-38.341

! M1-ch2 val=8.9955 values=7.990 10.001

! M1-ch3 val=-39.6983 values=39.655 39.415 40.025

! M1-ch2 val=9.1000 values=9.219 8.981

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     2 and name   CA)
       ( resid     2 and name   HA) 11.6620  0.0000  0.0000
! Q2-ch1 val=11.6620 values=11.662

! Q2-ch2 val=-10.6340 values=-10.634

! Q2-ch2 val=-4.2070 values=-4.207

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     3 and name   CA)
       ( resid     3 and name   HA) 18.4240  0.0000  0.0000
! I3-ch1 val=18.4240 values=18.424

! I3-ch1 val=15.5680 values=15.568

! I3-ch3 val=-17.5370 values=17.537

! I3-ch3 val=-19.4550 values=19.455

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     4 and name   CA)
       ( resid     4 and name   HA) 26.7330  0.0000  0.0000
! F4-ch1 val=26.7330 values=26.733

! F4-ch2 val=11.2500 values=11.250

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     5 and name   CA)
       ( resid     5 and name   HA) 15.7480  0.0000  0.0000
! V5-ch1 val=15.7480 values=15.748

! V5-ch1 val=12.6700 values=12.670

! V5-ch3 val=-43.6800 values=43.680

! V5-ch3 val=9.2710 values=-9.271

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     6 and name   CA)
       ( resid     6 and name   HA)  2.5090  0.0000  0.0000
! K6-ch1 val=2.5090 values=2.509

! K6-ch2 val=-31.7305 values=-30.770 -32.691

! K6-ch2 val=-17.3550 values=-17.355

! K6-ch2 val=-19.5085 values=-19.797 -19.220

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     7 and name   CA)
       ( resid     7 and name   HA) 14.9370  0.0000  0.0000
! T7-ch1 val=14.9370 values=14.937

! T7-ch1 val=-48.0810 values=-48.081

! T7-ch3 val=17.4050 values=-17.405

! L8-ch2 val=29.4665 values=29.566 29.367

! L8-ch3 val=-15.5190 values=15.519

! L8-ch3 val=4.1880 values=-4.188

! L8-ch1 val=6.0240 values=6.024

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     9 and name   CA)
       ( resid     9 and name   HA)  3.5650  0.0000  0.0000
! T9-ch1 val=3.5650 values=3.565

! T9-ch1 val=16.2220 values=16.222

! T9-ch3 val=-33.9063 values=33.970 33.982 33.767
{
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    10 and name   CA)
       ( resid    10 and name  HA#) 39.0840  0.0000  0.0000
! G10-ch2 val=39.0840 values=39.170 38.998
}
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    11 and name   CA)
       ( resid    11 and name   HA)  1.0560  0.0000  0.0000
! K11-ch1 val=1.0560 values=1.056

! K11-ch2 val=-23.8850 values=-22.558 -25.212

! K11-ch2 val=-18.0700 values=-18.070

! K11-ch2 val=-17.1395 values=-16.879 -17.400

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    12 and name   CA)
       ( resid    12 and name   HA) -6.1170  0.0000  0.0000
! T12-ch1 val=-6.1170 values=-6.117

! T12-ch1 val=-2.8050 values=-2.805

! T12-ch3 val=-14.7450 values=14.745

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    13 and name   CA)
       ( resid    13 and name   HA)  4.8300  0.0000  0.0000
! I13-ch1 val=4.8300 values=4.830

! I13-ch1 val=14.5080 values=14.508

! I13-ch3 val=-7.1490 values=7.149

! I13-ch3 val=20.9390 values=-20.939

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    14 and name   CA)
       ( resid    14 and name   HA) 23.5740  0.0000  0.0000
! T14-ch1 val=23.5740 values=23.574

! T14-ch1 val=14.6880 values=14.688

! T14-ch3 val=-24.5850 values=24.585

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    15 and name   CA)
       ( resid    15 and name   HA) 23.3020  0.0000  0.0000
! L15-ch1 val=23.3020 values=23.302

! L15-ch2 val=61.5245 values=60.793 62.256

! L15-ch3 val=-8.1360 values=8.136

! L15-ch3 val=11.0130 values=-11.013

! L15-ch1 val=49.7960 values=49.796

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    16 and name   CA)
       ( resid    16 and name   HA) 13.2060  0.0000  0.0000
! E16-ch1 val=13.2060 values=13.206

! E16-ch2 val=12.9725 values=12.151 13.794

! E16-ch2 val=24.3595 values=24.397 24.322

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    17 and name   CA)
       ( resid    17 and name   HA) 35.1920  0.0000  0.0000
! V17-ch1 val=35.1920 values=35.192

! V17-ch3 val=-42.9800 values=42.980

! V17-ch3 val=33.7420 values=-33.742

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    18 and name   CA)
       ( resid    18 and name   HA) -31.2130  0.0000  0.0000
! E18-ch1 val=-31.2130 values=-31.213

! E18-ch2 val=-51.3275 values=-50.874 -51.024 -51.469 -51.943

! E18-ch2 val=21.6410 values=21.525 21.757

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    19 and name   CA)
       ( resid    19 and name   HA) 15.6470  0.0000  0.0000
! P19-ch1 val=15.6470 values=15.647

! P19-ch2 val=45.1180 values=45.792 44.444

! P19-ch2 val=-7.5320 values=-7.532

! S20-ch2 val=-18.8457 values=-18.665 -18.689 -19.183

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    21 and name   CA)
       ( resid    21 and name   HA) 57.9710  0.0000  0.0000
! D21-ch1 val=57.9710 values=57.971

! D21-ch2 val=-14.1055 values=-13.534 -14.677

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    22 and name   CA)
       ( resid    22 and name   HA) 17.7730  0.0000  0.0000
! T22-ch1 val=17.7730 values=17.773

! T22-ch1 val=-31.2900 values=-31.290

! T22-ch3 val=8.7770 values=-8.777

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    23 and name   CA)
       ( resid    23 and name   HA)  0.9870  0.0000  0.0000
! I23-ch1 val=0.9870 values=0.987

! I23-ch1 val=7.5380 values=7.538

! I23-ch3 val=11.7780 values=-11.778

! I23-ch2 val=7.9175 values=8.129 7.706

! I23-ch3 val=-17.7190 values=17.719

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    24 and name   CA)
       ( resid    24 and name   HA) -25.1210  0.0000  0.0000
! E24-ch1 val=-25.1210 values=-25.121

! E24-ch2 val=-24.9720 values=-24.972

! E24-ch2 val=-9.0610 values=-9.061

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    25 and name   CA)
       ( resid    25 and name   HA) 19.7520  0.0000  0.0000
! N25-ch1 val=19.7520 values=19.752

! N25-ch2 val=15.4255 values=15.395 15.456

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    26 and name   CA)
       ( resid    26 and name   HA) -26.4110  0.0000  0.0000
! V26-ch1 val=-26.4110 values=-26.411

! V26-ch1 val=-23.0820 values=-23.082

! V26-ch3 val=35.5400 values=-35.540

! V26-ch3 val=-50.2690 values=50.269

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    27 and name   CA)
       ( resid    27 and name   HA) 45.4920  0.0000  0.0000
! K27-ch1 val=45.4920 values=45.492

! K27-ch2 val=1.1020 values=1.102

! K27-ch2 val=-0.0350 values=-0.035

! K27-ch2 val=26.3995 values=26.428 26.371

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    28 and name   CA)
       ( resid    28 and name   HA) -55.4750  0.0000  0.0000
! A28-ch1 val=-55.4750 values=-55.475

! A28-ch3 val=30.8390 values=-30.839

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    29 and name   CA)
       ( resid    29 and name   HA) 36.7620  0.0000  0.0000
! K29-ch1 val=36.7620 values=36.762

! K29-ch2 val=32.9330 values=34.813 31.053

! K29-ch2 val=27.0755 values=26.197 27.954

! K29-ch2 val=9.3200 values=9.320

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    30 and name   CA)
       ( resid    30 and name   HA) -4.6110  0.0000  0.0000
! I30-ch1 val=-4.6110 values=-4.611

! I30-ch1 val=6.7150 values=6.715

! I30-ch3 val=17.1250 values=-17.125

! I30-ch2 val=1.4610 values=3.554 -0.632

! I30-ch3 val=-8.8730 values=8.873

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    31 and name   CA)
       ( resid    31 and name   HA) -12.9290  0.0000  0.0000
! Q31-ch1 val=-12.9290 values=-12.929

! Q31-ch2 val=-10.8715 values=-10.865 -10.878

! Q31-ch2 val=-8.6350 values=-8.424 -8.846

! D32-ch2 val=26.5700 values=26.570

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    33 and name   CA)
       ( resid    33 and name   HA)  5.5590  0.0000  0.0000
! K33-ch1 val=5.5590 values=5.559

! K33-ch2 val=28.3235 values=27.973 28.674

! K33-ch2 val=31.9555 values=32.065 31.846

! K33-ch2 val=26.8950 values=26.895

! K33-ch2 val=37.5645 values=37.308 37.821

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    34 and name   CA)
       ( resid    34 and name   HA) 13.4690  0.0000  0.0000
! E34-ch1 val=13.4690 values=13.469

! E34-ch2 val=-23.8385 values=-23.255 -24.422

! E34-ch2 val=23.2180 values=23.218
{
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    35 and name   CA)
       ( resid    35 and name  HA#) 46.3340  0.0000  0.0000
! G35-ch2 val=46.3340 values=46.631 46.037
}
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    36 and name   CA)
       ( resid    36 and name   HA) -53.2910  0.0000  0.0000
! I36-ch1 val=-53.2910 values=-53.291

! I36-ch1 val=-46.3850 values=-46.385

! I36-ch3 val=-2.0820 values=2.082

! I36-ch3 val=-14.5350 values=14.535

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    37 and name   CA)
       ( resid    37 and name   HA)  8.5960  0.0000  0.0000
! P37-ch1 val=8.5960 values=8.596

! P37-ch2 val=44.3750 values=44.400 44.350

! P37-ch2 val=-27.0470 values=-27.047

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    38 and name   CA)
       ( resid    38 and name   HA)  7.3470  0.0000  0.0000
! P38-ch1 val=7.3470 values=7.347

! P38-ch2 val=-11.6880 values=-11.688

! P38-ch2 val=10.0195 values=10.281 9.758

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    39 and name   CA)
       ( resid    39 and name   HA) -3.5740  0.0000  0.0000
! D39-ch1 val=-3.5740 values=-3.574

! D39-ch2 val=11.0470 values=11.198 10.896

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    40 and name   CA)
       ( resid    40 and name   HA) -29.8800  0.0000  0.0000
! Q40-ch1 val=-29.8800 values=-29.880

! Q40-ch2 val=24.2765 values=23.825 24.728

! Q40-ch2 val=30.0400 values=30.503 29.577

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    41 and name   CA)
       ( resid    41 and name   HA) 34.5160  0.0000  0.0000
! Q41-ch1 val=34.5160 values=34.516

! Q41-ch2 val=19.0030 values=19.003

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    42 and name   CA)
       ( resid    42 and name   HA) 33.3530  0.0000  0.0000
! R42-ch1 val=33.3530 values=33.353

! R42-ch2 val=20.0820 values=20.019 20.145

! R42-ch2 val=10.6740 values=10.674

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    43 and name   CA)
       ( resid    43 and name   HA) 21.3540  0.0000  0.0000
! L43-ch1 val=21.3540 values=21.354

! L43-ch2 val=-14.1410 values=-14.428 -13.854

! L43-ch3 val=1.0600 values=-1.060

! L43-ch3 val=8.9550 values=-8.955

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    44 and name   CA)
       ( resid    44 and name   HA) 11.5630  0.0000  0.0000
! I44-ch1 val=11.5630 values=11.563

! I44-ch1 val=7.4620 values=7.462

! I44-ch3 val=-15.0920 values=15.092

! I44-ch2 val=47.0570 values=47.132 46.982

! I44-ch3 val=27.1800 values=-27.180

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    45 and name   CA)
       ( resid    45 and name   HA) 14.7610  0.0000  0.0000
! F45-ch1 val=14.7610 values=14.761

! F45-ch2 val=44.5977 values=44.643 45.975 48.004 39.769

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    46 and name   CA)
       ( resid    46 and name   HA) 38.0110  0.0000  0.0000
! A46-ch1 val=38.0110 values=38.011

! A46-ch3 val=-39.0033 values=38.802 39.170 39.038
{
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    47 and name   CA)
       ( resid    47 and name  HA#) 14.9000  0.0000  0.0000
! G47-ch2 val=14.9000 values=14.754 15.046
}
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    48 and name   CA)
       ( resid    48 and name   HA) -31.3550  0.0000  0.0000
! K48-ch1 val=-31.3550 values=-31.355

! K48-ch2 val=8.2030 values=8.203

! K48-ch2 val=11.9000 values=11.900

! K48-ch2 val=9.1590 values=9.159

! K48-ch2 val=5.4770 values=5.477

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    49 and name   CA)
       ( resid    49 and name   HA)  6.0800  0.0000  0.0000
! Q49-ch1 val=6.0800 values=6.080

! Q49-ch2 val=39.3920 values=39.635 39.149

! Q49-ch2 val=25.8180 values=25.818

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    50 and name   CA)
       ( resid    50 and name   HA) -9.5840  0.0000  0.0000
! L50-ch1 val=-9.5840 values=-9.584

! L50-ch2 val=5.2245 values=3.987 6.462

! L50-ch3 val=-5.1240 values=5.124

! L50-ch3 val=-13.9110 values=13.911

! L50-ch1 val=-5.1980 values=-5.198

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    51 and name   CA)
       ( resid    51 and name   HA) -51.5840  0.0000  0.0000
! E51-ch1 val=-51.5840 values=-51.584

! E51-ch2 val=-19.5835 values=-19.915 -19.252

! E51-ch2 val=0.7300 values=0.730

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    52 and name   CA)
       ( resid    52 and name   HA) -12.8680  0.0000  0.0000
! D52-ch1 val=-12.8680 values=-12.868

! D52-ch2 val=8.5385 values=8.369 8.708
{
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    53 and name   CA)
       ( resid    53 and name  HA#) 31.9180  0.0000  0.0000
! G53-ch2 val=31.9180 values=31.918
}
assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    54 and name   CA)
       ( resid    54 and name   HA)  7.4630  0.0000  0.0000
! R54-ch1 val=7.4630 values=7.463

! R54-ch2 val=0.9325 values=-0.087 1.952

! R54-ch2 val=0.0160 values=0.600 -0.568

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    55 and name   CA)
       ( resid    55 and name   HA)  6.3810  0.0000  0.0000
! T55-ch1 val=6.3810 values=6.381

! T55-ch1 val=-17.9810 values=-17.981

! T55-ch3 val=47.1040 values=-47.104

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    56 and name   CA)
       ( resid    56 and name   HA) -12.8750  0.0000  0.0000
! L56-ch1 val=-12.8750 values=-12.875

! L56-ch2 val=23.3050 values=23.470 23.140

! L56-ch3 val=-7.7780 values=7.778

! L56-ch3 val=-6.3150 values=6.315

! L56-ch1 val=34.2020 values=34.202

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    57 and name   CA)
       ( resid    57 and name   HA) 18.0150  0.0000  0.0000
! S57-ch1 val=18.0150 values=18.015

! S57-ch2 val=-1.3465 values=-1.240 -1.453

! D58-ch2 val=-17.2335 values=-17.450 -17.017

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    59 and name   CA)
       ( resid    59 and name   HA)  6.6070  0.0000  0.0000
! Y59-ch1 val=6.6070 values=6.607

! Y59-ch2 val=65.9953 values=66.285 67.221 64.130 65.110 66.990 66.236

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    60 and name   CA)
       ( resid    60 and name   HA) -11.8130  0.0000  0.0000
! N60-ch1 val=-11.8130 values=-11.813

! N60-ch2 val=-6.2847 values=-6.328 -5.654 -6.537 -6.620

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    61 and name   CA)
       ( resid    61 and name   HA) 55.0880  0.0000  0.0000
! I61-ch1 val=55.0880 values=55.088

! I61-ch1 val=50.1380 values=50.138

! I61-ch3 val=-18.9290 values=18.929

! I61-ch2 val=51.8505 values=51.983 51.718

! I61-ch3 val=7.2580 values=-7.258

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    62 and name   CA)
       ( resid    62 and name   HA) 35.2320  0.0000  0.0000
! Q62-ch1 val=35.2320 values=35.232

! Q62-ch2 val=-20.1045 values=-19.974 -20.235

! Q62-ch2 val=-18.6033 values=-18.335 -18.397 -19.078

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    63 and name   CA)
       ( resid    63 and name   HA)  9.2590  0.0000  0.0000
! K63-ch1 val=9.2590 values=9.259

! K63-ch2 val=49.0485 values=47.978 50.119

! K63-ch2 val=41.3515 values=40.695 42.008

! K63-ch2 val=19.2710 values=19.271

! K63-ch2 val=46.2715 values=46.230 46.313

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    64 and name   CA)
       ( resid    64 and name   HA) -0.6980  0.0000  0.0000
! E64-ch1 val=-0.6980 values=-0.698

! E64-ch2 val=20.0455 values=20.062 20.029

! E64-ch2 val=-8.9150 values=-8.752 -9.078

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    65 and name   CA)
       ( resid    65 and name   HA) 52.6300  0.0000  0.0000
! S65-ch1 val=52.6300 values=52.630

! S65-ch2 val=5.0125 values=4.913 5.112

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    66 and name   CA)
       ( resid    66 and name   HA) 34.1840  0.0000  0.0000
! T66-ch1 val=34.1840 values=34.184

! T66-ch1 val=29.2560 values=29.256

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    67 and name   CA)
       ( resid    67 and name   HA) 21.6690  0.0000  0.0000
! L67-ch1 val=21.6690 values=21.669

! L67-ch3 val=-7.1930 values=7.193

! L67-ch3 val=25.1860 values=-25.186

! L67-ch1 val=-10.3030 values=-10.303

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    68 and name   CA)
       ( resid    68 and name   HA)  3.3730  0.0000  0.0000
! H68-ch1 val=3.3730 values=3.373

! H68-ch2 val=-44.1967 values=-43.501 -45.223 -44.443 -43.620

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    69 and name   CA)
       ( resid    69 and name   HA) 22.0290  0.0000  0.0000
! L69-ch1 val=22.0290 values=22.029

! L69-ch2 val=-20.0400 values=-20.040

! L69-ch3 val=14.4860 values=-14.486

! L69-ch3 val=11.6200 values=-11.620

! L69-ch1 val=-30.6190 values=-30.619

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    70 and name   CA)
       ( resid    70 and name   HA) 23.5720  0.0000  0.0000
! V70-ch1 val=23.5720 values=23.572

! V70-ch1 val=-5.5000 values=-5.500

! V70-ch3 val=10.9620 values=-10.962


assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     2 and name    N)
       ( resid     1 and name    C)  2.6510  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     3 and name    N)
       ( resid     2 and name    C) -3.7680  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     4 and name    N)
       ( resid     3 and name    C)  1.4630  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     5 and name    N)
       ( resid     4 and name    C) -1.7260  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     6 and name    N)
       ( resid     5 and name    C)  1.3520  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     7 and name    N)
       ( resid     6 and name    C) -0.6960  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     8 and name    N)
       ( resid     7 and name    C) -3.2060  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     9 and name    N)
       ( resid     8 and name    C)  1.2110  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    11 and name    N)
       ( resid    10 and name    C)  2.3210  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    12 and name    N)
       ( resid    11 and name    C) -3.1490  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    13 and name    N)
       ( resid    12 and name    C)  1.8270  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    14 and name    N)
       ( resid    13 and name    C) -0.8580  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    15 and name    N)
       ( resid    14 and name    C)  0.2780  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    16 and name    N)
       ( resid    15 and name    C)  2.7750  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    17 and name    N)
       ( resid    16 and name    C)  0.1620  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    18 and name    N)
       ( resid    17 and name    C)  1.2490  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    20 and name    N)
       ( resid    19 and name    C)  3.1870  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    21 and name    N)
       ( resid    20 and name    C)  0.7060  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    22 and name    N)
       ( resid    21 and name    C) -1.4740  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    23 and name    N)
       ( resid    22 and name    C) -0.3480  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    25 and name    N)
       ( resid    24 and name    C) -3.6590  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    26 and name    N)
       ( resid    25 and name    C)  2.6860  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    27 and name    N)
       ( resid    26 and name    C) -2.6300  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    28 and name    N)
       ( resid    27 and name    C)  2.1180  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    29 and name    N)
       ( resid    28 and name    C) -1.8550  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    30 and name    N)
       ( resid    29 and name    C)  0.3950  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    31 and name    N)
       ( resid    30 and name    C)  1.2950  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    32 and name    N)
       ( resid    31 and name    C) -2.6540  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    33 and name    N)
       ( resid    32 and name    C)  2.5470  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    34 and name    N)
       ( resid    33 and name    C) -1.4000  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    35 and name    N)
       ( resid    34 and name    C)  2.7780  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    36 and name    N)
       ( resid    35 and name    C)  0.9830  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    39 and name    N)
       ( resid    38 and name    C) -2.7140  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    40 and name    N)
       ( resid    39 and name    C)  0.5840  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    41 and name    N)
       ( resid    40 and name    C) -2.7390  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    42 and name    N)
       ( resid    41 and name    C)  2.9390  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    43 and name    N)
       ( resid    42 and name    C) -1.9980  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    44 and name    N)
       ( resid    43 and name    C)  2.0280  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    45 and name    N)
       ( resid    44 and name    C) -0.5270  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    46 and name    N)
       ( resid    45 and name    C)  2.2510  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    47 and name    N)
       ( resid    46 and name    C) -2.6530  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    48 and name    N)
       ( resid    47 and name    C)  1.4460  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    49 and name    N)
       ( resid    48 and name    C) -1.8720  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    50 and name    N)
       ( resid    49 and name    C)  0.7210  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    51 and name    N)
       ( resid    50 and name    C)  1.0700  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    52 and name    N)
       ( resid    51 and name    C) -0.0240  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    54 and name    N)
       ( resid    53 and name    C)  2.8180  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    55 and name    N)
       ( resid    54 and name    C) -3.3800  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    56 and name    N)
       ( resid    55 and name    C) -0.6720  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    57 and name    N)
       ( resid    56 and name    C) -0.0670  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    58 and name    N)
       ( resid    57 and name    C) -2.4320  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    59 and name    N)
       ( resid    58 and name    C)  0.5460  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    60 and name    N)
       ( resid    59 and name    C) -2.7170  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    61 and name    N)
       ( resid    60 and name    C)  0.7990  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    62 and name    N)
       ( resid    61 and name    C)  0.9570  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    63 and name    N)
       ( resid    62 and name    C) -2.6880  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    64 and name    N)
       ( resid    63 and name    C) -0.7630  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    65 and name    N)
       ( resid    64 and name    C) -0.0100  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    66 and name    N)
       ( resid    65 and name    C) -0.1630  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    67 and name    N)
       ( resid    66 and name    C)  0.7850  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    68 and name    N)
       ( resid    67 and name    C) -2.4370  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    69 and name    N)
       ( resid    68 and name    C) -0.3870  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    70 and name    N)
       ( resid    69 and name    C) -1.5070  0.0000  0.0000


! RES ATOM1->ATOM2 Coupling AverageC RmStdDev
!   3     N->C      -3.7680  -3.7680   0.0000
!  25     N->C      -3.6590  -3.7135   0.0545
!  55     N->C      -3.3800  -3.6023   0.1634
!   8     N->C      -3.2060  -3.5032   0.2224
!  12     N->C      -3.1490  -3.4324   0.2443
!  41     N->C      -2.7390  -3.3168   0.3413
!  60     N->C      -2.7170  -3.2311   0.3794
!  39     N->C      -2.7140  -3.1665   0.3939
!  63     N->C      -2.6880  -3.1133   0.4007
!  32     N->C      -2.6540  -3.0674   0.4043
!  47     N->C      -2.6530  -3.0297   0.4035
!  27     N->C      -2.6300  -2.9964   0.4018
!  68     N->C      -2.4370  -2.9534   0.4138
!  58     N->C      -2.4320  -2.9161   0.4208
!  71     N->C      -2.4260  -2.8835   0.4245
!  43     N->C      -1.9980  -2.8281   0.4635
!  49     N->C      -1.8720  -2.7719   0.5028
!  29     N->C      -1.8550  -2.7209   0.5319
!   5     N->C      -1.7260  -2.6686   0.5634
!  70     N->C      -1.5070  -2.6105   0.6046
!  22     N->C      -1.4740  -2.5564   0.6378
!  34     N->C      -1.4000  -2.5038   0.6681
!  73     N->C      -0.8730  -2.4329   0.7331
!  14     N->C      -0.8580  -2.3673   0.7837
!  64     N->C      -0.7630  -2.3031   0.8297
!   7     N->C      -0.6960  -2.2413   0.8703
!  56     N->C      -0.6720  -2.1832   0.9040
!  76     N->C      -0.6670  -2.1290   0.9312
!  45     N->C      -0.5270  -2.0738   0.9606
!  69     N->C      -0.3870  -2.0176   0.9918
!  23     N->C      -0.3480  -1.9637   1.0193
!  66     N->C      -0.1630  -1.9074   1.0510
!  57     N->C      -0.0670  -1.8517   1.0820
!  74     N->C      -0.0600  -1.7990   1.1081
!  52     N->C      -0.0240  -1.7483   1.1315
!  65     N->C      -0.0100  -1.7000   1.1517
!  75     N->C       0.0560  -1.6525   1.1711
!  17     N->C       0.1620  -1.6048   1.1916
!  15     N->C       0.2780  -1.5565   1.2132
!  30     N->C       0.3950  -1.5077   1.2361
!  59     N->C       0.5460  -1.4576   1.2614
!  40     N->C       0.5840  -1.4090   1.2846
!  21     N->C       0.7060  -1.3598   1.3089
!  50     N->C       0.7210  -1.3125   1.3306
!  67     N->C       0.7850  -1.2659   1.3516
!  61     N->C       0.7990  -1.2210   1.3703
!  62     N->C       0.9570  -1.1747   1.3916
!  36     N->C       0.9830  -1.1297   1.4111
!  51     N->C       1.0700  -1.0848   1.4308
!   9     N->C       1.2110  -1.0389   1.4525
!  18     N->C       1.2490  -0.9941   1.4727
!  31     N->C       1.2950  -0.9500   1.4920
!   6     N->C       1.3520  -0.9066   1.5107
!  48     N->C       1.4460  -0.8630   1.5299
!   4     N->C       1.4630  -0.8207   1.5474
!  13     N->C       1.8270  -0.7735   1.5731
!  72     N->C       1.8470  -0.7275   1.5968
!  44     N->C       2.0280  -0.6800   1.6231
!  28     N->C       2.1180  -0.6326   1.6493
!  46     N->C       2.2510  -0.5845   1.6766
!  11     N->C       2.3210  -0.5369   1.7033
!  33     N->C       2.5470  -0.4871   1.7336
!   2     N->C       2.6510  -0.4373   1.7639
!  26     N->C       2.6860  -0.3885   1.7924
!  16     N->C       2.7750  -0.3398   1.8207
!  35     N->C       2.7780  -0.2926   1.8466
!  54     N->C       2.8180  -0.2462   1.8711
!  42     N->C       2.9390  -0.1993   1.8965
!  20     N->C       3.1870  -0.1503   1.9257

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     1 and name   CA)
       ( resid     1 and name    C) -3.3510  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     2 and name   CA)
       ( resid     2 and name    C)  0.8200  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     3 and name   CA)
       ( resid     3 and name    C) -1.8380  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     5 and name   CA)
       ( resid     5 and name    C)  0.9140  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     6 and name   CA)
       ( resid     6 and name    C) -5.5780  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     7 and name   CA)
       ( resid     7 and name    C)  2.1300  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     9 and name   CA)
       ( resid     9 and name    C) -3.2610  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    10 and name   CA)
       ( resid    10 and name    C) -1.1790  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    12 and name   CA)
       ( resid    12 and name    C)  4.3300  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    13 and name   CA)
       ( resid    13 and name    C) -3.9930  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    14 and name   CA)
       ( resid    14 and name    C)  5.0160  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    15 and name   CA)
       ( resid    15 and name    C) -5.0250  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    16 and name   CA)
       ( resid    16 and name    C)  1.2280  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    17 and name   CA)
       ( resid    17 and name    C) -3.8070  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    19 and name   CA)
       ( resid    19 and name    C)  0.2000  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    20 and name   CA)
       ( resid    20 and name    C) -4.4790  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    21 and name   CA)
       ( resid    21 and name    C) -2.2270  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    22 and name   CA)
       ( resid    22 and name    C) -0.0230  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    24 and name   CA)
       ( resid    24 and name    C) -0.6840  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    25 and name   CA)
       ( resid    25 and name    C)  3.4660  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    27 and name   CA)
       ( resid    27 and name    C)  3.3810  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    28 and name   CA)
       ( resid    28 and name    C) -0.9400  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    29 and name   CA)
       ( resid    29 and name    C)  1.6240  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    30 and name   CA)
       ( resid    30 and name    C) -1.6950  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    31 and name   CA)
       ( resid    31 and name    C)  0.4700  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    32 and name   CA)
       ( resid    32 and name    C)  2.7430  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    33 and name   CA)
       ( resid    33 and name    C) -2.7060  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    35 and name   CA)
       ( resid    35 and name    C) -2.0060  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    39 and name   CA)
       ( resid    39 and name    C)  3.9570  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    40 and name   CA)
       ( resid    40 and name    C) -0.6680  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    42 and name   CA)
       ( resid    42 and name    C) -3.5140  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    43 and name   CA)
       ( resid    43 and name    C)  2.5010  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    46 and name   CA)
       ( resid    46 and name    C) -3.9570  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    47 and name   CA)
       ( resid    47 and name    C)  2.3330  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    48 and name   CA)
       ( resid    48 and name    C)  3.1800  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    49 and name   CA)
       ( resid    49 and name    C)  1.6440  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    50 and name   CA)
       ( resid    50 and name    C)  1.6970  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    51 and name   CA)
       ( resid    51 and name    C)  3.4060  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    53 and name   CA)
       ( resid    53 and name    C) -3.8850  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    55 and name   CA)
       ( resid    55 and name    C)  4.9910  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    56 and name   CA)
       ( resid    56 and name    C) -1.4810  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    57 and name   CA)
       ( resid    57 and name    C) -0.1640  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    58 and name   CA)
       ( resid    58 and name    C)  4.8460  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    59 and name   CA)
       ( resid    59 and name    C) -1.8450  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    60 and name   CA)
       ( resid    60 and name    C)  1.4000  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    61 and name   CA)
       ( resid    61 and name    C) -4.5900  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    63 and name   CA)
       ( resid    63 and name    C)  2.8140  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    64 and name   CA)
       ( resid    64 and name    C) -1.4120  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    65 and name   CA)
       ( resid    65 and name    C) -3.8640  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    66 and name   CA)
       ( resid    66 and name    C) -3.3580  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    67 and name   CA)
       ( resid    67 and name    C) -3.6730  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    68 and name   CA)
       ( resid    68 and name    C)  0.0300  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    69 and name   CA)
       ( resid    69 and name    C) -3.4060  0.0000  0.0000

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    70 and name   CA)
       ( resid    70 and name    C)  1.7320  0.0000  0.0000


! RES ATOM1->ATOM2 Coupling AverageC RmStdDev
!   7    CA->C      -5.5780  -5.5780   0.0000
!  16    CA->C      -5.0250  -5.3015   0.2765
!  62    CA->C      -4.5900  -5.0643   0.4043
!  21    CA->C      -4.4790  -4.9180   0.4322
!  14    CA->C      -3.9930  -4.7330   0.5351
!  47    CA->C      -3.9570  -4.6037   0.5677
!  54    CA->C      -3.8850  -4.5010   0.5827
!  66    CA->C      -3.8640  -4.4214   0.5843
!  18    CA->C      -3.8070  -4.3531   0.5838
!  68    CA->C      -3.6730  -4.2851   0.5902
!  43    CA->C      -3.5140  -4.2150   0.6048
!  70    CA->C      -3.4060  -4.1476   0.6207
!  67    CA->C      -3.3580  -4.0869   0.6324
!   2    CA->C      -3.3510  -4.0343   0.6382
!  10    CA->C      -3.2610  -3.9827   0.6460
!  72    CA->C      -2.9340  -3.9172   0.6751
!  34    CA->C      -2.7060  -3.8459   0.7142
!  22    CA->C      -2.2270  -3.7560   0.7870
!  73    CA->C      -2.1490  -3.6714   0.8458
!  36    CA->C      -2.0060  -3.5882   0.9008
!  60    CA->C      -1.8450  -3.5051   0.9543
!   4    CA->C      -1.8380  -3.4294   0.9949
!  31    CA->C      -1.6950  -3.3540   1.0353
!  57    CA->C      -1.4810  -3.2759   1.0804
!  65    CA->C      -1.4120  -3.2014   1.1198
!  11    CA->C      -1.1790  -3.1236   1.1649
!  29    CA->C      -0.9400  -3.0427   1.2152
!  75    CA->C      -0.9240  -2.9670   1.2565
!  25    CA->C      -0.6840  -2.8883   1.3030
!  41    CA->C      -0.6680  -2.8143   1.3417
!  74    CA->C      -0.5270  -2.7405   1.3803
!  58    CA->C      -0.1640  -2.6600   1.4306
!  23    CA->C      -0.0230  -2.5801   1.4795
!  69    CA->C       0.0300  -2.5033   1.5229
!  76    CA->C       0.1010  -2.4289   1.5624
!  20    CA->C       0.2000  -2.3559   1.6000
!  32    CA->C       0.4700  -2.2795   1.6434
!   3    CA->C       0.8200  -2.1980   1.6958
!   6    CA->C       0.9140  -2.1181   1.7447
!  17    CA->C       1.2280  -2.0345   1.8002
!  61    CA->C       1.4000  -1.9507   1.8554
!  30    CA->C       1.6240  -1.8656   1.9125
!  50    CA->C       1.6440  -1.7840   1.9627
!  51    CA->C       1.6970  -1.7049   2.0084
!  71    CA->C       1.7320  -1.6285   2.0496
!   8    CA->C       2.1300  -1.5468   2.1000
!  48    CA->C       2.3330  -1.4643   2.1517
!  44    CA->C       2.5010  -1.3817   2.2032
!  33    CA->C       2.7430  -1.2975   2.2572
!  64    CA->C       2.8140  -1.2152   2.3075
!  49    CA->C       3.1800  -1.1291   2.3646
!  28    CA->C       3.3810  -1.0423   2.4223
!  52    CA->C       3.4060  -0.9584   2.4745
!  26    CA->C       3.4660  -0.8765   2.5230
!  40    CA->C       3.9570  -0.7886   2.5820
!  13    CA->C       4.3300  -0.6972   2.6471
!  59    CA->C       4.8460  -0.5999   2.7229
!  56    CA->C       4.9910  -0.5035   2.7957
!  15    CA->C       5.0160  -0.4100   2.8620


! M1-ch1 val=-38.3410 values=-38.341

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     1 and name   CB)
       ( resid     1 and name  HB#)  8.9955  0.0000 100.0000
! M1-ch2 val=8.9955 values=7.990 10.001

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     1 and name   CE)
       ( resid     1 and name   SD) -39.6983 100.0000  0.0000
! M1-ch3 val=-39.6983 values=39.655 39.415 40.025

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     1 and name   CG)
       ( resid     1 and name  HG#)  9.1000  0.0000 100.0000
! M1-ch2 val=9.1000 values=9.219 8.981

! Q2-ch1 val=11.6620 values=11.662

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     2 and name   CB)
       ( resid     2 and name  HB#) -10.6340 100.0000  0.0000
! Q2-ch2 val=-10.6340 values=-10.634

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     2 and name   CG)
       ( resid     2 and name  HG#) -4.2070 100.0000  0.0000
! Q2-ch2 val=-4.2070 values=-4.207

! I3-ch1 val=18.4240 values=18.424

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     3 and name   CB)
       ( resid     3 and name   HB) 15.5680  0.0000  0.0000
! I3-ch1 val=15.5680 values=15.568

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     3 and name  CD1)
       ( resid     3 and name  CG1) -17.5370 100.0000  0.0000
! I3-ch3 val=-17.5370 values=17.537

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     3 and name  CG2)
       ( resid     3 and name   CB) -19.4550  0.0000  0.0000
! I3-ch3 val=-19.4550 values=19.455

! F4-ch1 val=26.7330 values=26.733

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     4 and name   CB)
       ( resid     4 and name  HB#) 11.2500  0.0000  0.0000
! F4-ch2 val=11.2500 values=11.250

! V5-ch1 val=15.7480 values=15.748

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     5 and name   CB)
       ( resid     5 and name   HB) 12.6700  0.0000  0.0000
! V5-ch1 val=12.6700 values=12.670

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     5 and name  CG1)
       ( resid     5 and name   CB) -43.6800  0.0000  0.0000
! V5-ch3 val=-43.6800 values=43.680

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     5 and name  CG2)
       ( resid     5 and name   CB)  9.2710  0.0000  0.0000
! V5-ch3 val=9.2710 values=-9.271

! K6-ch1 val=2.5090 values=2.509

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     6 and name   CB)
       ( resid     6 and name  HB#) -31.7305 100.0000  0.0000
! K6-ch2 val=-31.7305 values=-30.770 -32.691

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     6 and name   CD)
       ( resid     6 and name  HD#) -17.3550 100.0000  0.0000
! K6-ch2 val=-17.3550 values=-17.355

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     6 and name   CG)
       ( resid     6 and name  HG#) -19.5085 100.0000  0.0000
! K6-ch2 val=-19.5085 values=-19.797 -19.220

! T7-ch1 val=14.9370 values=14.937

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     7 and name   CB)
       ( resid     7 and name   HB) -48.0810  0.0000  0.0000
! T7-ch1 val=-48.0810 values=-48.081

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     7 and name  CG2)
       ( resid     7 and name   CB) 17.4050  0.0000  0.0000
! T7-ch3 val=17.4050 values=-17.405

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     8 and name   CB)
       ( resid     8 and name  HB#) 29.4665  0.0000 100.0000
! L8-ch2 val=29.4665 values=29.566 29.367

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     8 and name  CD1)
       ( resid     8 and name   CG) -15.5190 100.0000  0.0000
! L8-ch3 val=-15.5190 values=15.519

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     8 and name  CD2)
       ( resid     8 and name   CG)  4.1880  0.0000 100.0000
! L8-ch3 val=4.1880 values=-4.188

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     8 and name   CG)
       ( resid     8 and name   HG)  6.0240  0.0000 100.0000
! L8-ch1 val=6.0240 values=6.024

! T9-ch1 val=3.5650 values=3.565

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     9 and name   CB)
       ( resid     9 and name   HB) 16.2220  0.0000  0.0000
! T9-ch1 val=16.2220 values=16.222

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     9 and name  CG2)
       ( resid     9 and name   CB) -33.9063  0.0000  0.0000
! T9-ch3 val=-33.9063 values=33.970 33.982 33.767

! G10-ch2 val=39.0840 values=39.170 38.998

! K11-ch1 val=1.0560 values=1.056

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    11 and name   CB)
       ( resid    11 and name  HB#) -23.8850 100.0000  0.0000
! K11-ch2 val=-23.8850 values=-22.558 -25.212

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    11 and name   CD)
       ( resid    11 and name  HD#) -18.0700 100.0000  0.0000
! K11-ch2 val=-18.0700 values=-18.070

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    11 and name   CG)
       ( resid    11 and name  HG#) -17.1395 100.0000  0.0000
! K11-ch2 val=-17.1395 values=-16.879 -17.400

! T12-ch1 val=-6.1170 values=-6.117

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    12 and name   CB)
       ( resid    12 and name   HB) -2.8050  0.0000  0.0000
! T12-ch1 val=-2.8050 values=-2.805

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    12 and name  CG2)
       ( resid    12 and name   CB) -14.7450  0.0000  0.0000
! T12-ch3 val=-14.7450 values=14.745

! I13-ch1 val=4.8300 values=4.830

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    13 and name   CB)
       ( resid    13 and name   HB) 14.5080  0.0000 100.0000
! I13-ch1 val=14.5080 values=14.508

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    13 and name  CD1)
       ( resid    13 and name  CG1) -7.1490 100.0000  0.0000
! I13-ch3 val=-7.1490 values=7.149

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    13 and name  CG2)
       ( resid    13 and name   CB) 20.9390  0.0000 100.0000
! I13-ch3 val=20.9390 values=-20.939

! T14-ch1 val=23.5740 values=23.574

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    14 and name   CB)
       ( resid    14 and name   HB) 14.6880  0.0000 100.0000
! T14-ch1 val=14.6880 values=14.688

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    14 and name  CG2)
       ( resid    14 and name   CB) -24.5850 100.0000  0.0000
! T14-ch3 val=-24.5850 values=24.585

! L15-ch1 val=23.3020 values=23.302

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    15 and name   CB)
       ( resid    15 and name  HB#) 61.5245  0.0000 100.0000
! L15-ch2 val=61.5245 values=60.793 62.256

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    15 and name  CD1)
       ( resid    15 and name   CG) -8.1360 100.0000  0.0000
! L15-ch3 val=-8.1360 values=8.136

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    15 and name  CD2)
       ( resid    15 and name   CG) 11.0130  0.0000 100.0000
! L15-ch3 val=11.0130 values=-11.013

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    15 and name   CG)
       ( resid    15 and name   HG) 49.7960  0.0000 100.0000
! L15-ch1 val=49.7960 values=49.796

! E16-ch1 val=13.2060 values=13.206

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    16 and name   CB)
       ( resid    16 and name  HB#) 12.9725  0.0000 100.0000
! E16-ch2 val=12.9725 values=12.151 13.794

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    16 and name   CG)
       ( resid    16 and name  HG#) 24.3595  0.0000 100.0000
! E16-ch2 val=24.3595 values=24.397 24.322

! V17-ch1 val=35.1920 values=35.192

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    17 and name  CG1)
       ( resid    17 and name   CB) -42.9800  0.0000  0.0000
! V17-ch3 val=-42.9800 values=42.980

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    17 and name  CG2)
       ( resid    17 and name   CB) 33.7420  0.0000  0.0000
! V17-ch3 val=33.7420 values=-33.742

! E18-ch1 val=-31.2130 values=-31.213

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    18 and name   CB)
       ( resid    18 and name  HB#) -51.3275  0.0000  0.0000
! E18-ch2 val=-51.3275 values=-50.874 -51.024 -51.469 -51.943

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    18 and name   CG)
       ( resid    18 and name  HG#) 21.6410  0.0000 100.0000
! E18-ch2 val=21.6410 values=21.525 21.757

! P19-ch1 val=15.6470 values=15.647

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    19 and name   CD)
       ( resid    19 and name  HD#) 45.1180  0.0000 100.0000
! P19-ch2 val=45.1180 values=45.792 44.444

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    19 and name   CG)
       ( resid    19 and name  HG#) -7.5320 100.0000  0.0000
! P19-ch2 val=-7.5320 values=-7.532

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    20 and name   CB)
       ( resid    20 and name  HB#) -18.8457  0.0000  0.0000
! S20-ch2 val=-18.8457 values=-18.665 -18.689 -19.183

! D21-ch1 val=57.9710 values=57.971

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    21 and name   CB)
       ( resid    21 and name  HB#) -14.1055  0.0000  0.0000
! D21-ch2 val=-14.1055 values=-13.534 -14.677

! T22-ch1 val=17.7730 values=17.773

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    22 and name   CB)
       ( resid    22 and name   HB) -31.2900  0.0000  0.0000
! T22-ch1 val=-31.2900 values=-31.290

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    22 and name  CG2)
       ( resid    22 and name   CB)  8.7770  0.0000  0.0000
! T22-ch3 val=8.7770 values=-8.777

! I23-ch1 val=0.9870 values=0.987

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    23 and name   CB)
       ( resid    23 and name   HB)  7.5380  0.0000  0.0000
! I23-ch1 val=7.5380 values=7.538

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    23 and name  CD1)
       ( resid    23 and name  CG1) 11.7780  0.0000 100.0000
! I23-ch3 val=11.7780 values=-11.778

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    23 and name  CG1)
       ( resid    23 and name HG1#)  7.9175  0.0000 100.0000
! I23-ch2 val=7.9175 values=8.129 7.706

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    23 and name  CG2)
       ( resid    23 and name   CB) -17.7190  0.0000  0.0000
! I23-ch3 val=-17.7190 values=17.719

! E24-ch1 val=-25.1210 values=-25.121

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    24 and name   CB)
       ( resid    24 and name  HB#) -24.9720 100.0000  0.0000
! E24-ch2 val=-24.9720 values=-24.972

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    24 and name   CG)
       ( resid    24 and name  HG#) -9.0610 100.0000  0.0000
! E24-ch2 val=-9.0610 values=-9.061

! N25-ch1 val=19.7520 values=19.752

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    25 and name   CB)
       ( resid    25 and name  HB#) 15.4255  0.0000 100.0000
! N25-ch2 val=15.4255 values=15.395 15.456

! V26-ch1 val=-26.4110 values=-26.411

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    26 and name   CB)
       ( resid    26 and name   HB) -23.0820  0.0000  0.0000
! V26-ch1 val=-23.0820 values=-23.082

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    26 and name  CG1)
       ( resid    26 and name   CB) 35.5400  0.0000  0.0000
! V26-ch3 val=35.5400 values=-35.540

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    26 and name  CG2)
       ( resid    26 and name   CB) -50.2690  0.0000  0.0000
! V26-ch3 val=-50.2690 values=50.269

! K27-ch1 val=45.4920 values=45.492

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    27 and name   CB)
       ( resid    27 and name  HB#)  1.1020  0.0000  0.0000
! K27-ch2 val=1.1020 values=1.102

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    27 and name   CE)
       ( resid    27 and name  HE#) -0.0350 100.0000  0.0000
! K27-ch2 val=-0.0350 values=-0.035

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    27 and name   CG)
       ( resid    27 and name  HG#) 26.3995  0.0000 100.0000
! K27-ch2 val=26.3995 values=26.428 26.371

! A28-ch1 val=-55.4750 values=-55.475

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    28 and name   CB)
       ( resid    28 and name   CA) 30.8390  0.0000  0.0000
! A28-ch3 val=30.8390 values=-30.839

! K29-ch1 val=36.7620 values=36.762

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    29 and name   CB)
       ( resid    29 and name  HB#) 32.9330  0.0000  0.0000
! K29-ch2 val=32.9330 values=34.813 31.053

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    29 and name   CD)
       ( resid    29 and name  HD#) 27.0755  0.0000 100.0000
! K29-ch2 val=27.0755 values=26.197 27.954

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    29 and name   CE)
       ( resid    29 and name  HE#)  9.3200  0.0000 100.0000
! K29-ch2 val=9.3200 values=9.320

! I30-ch1 val=-4.6110 values=-4.611

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    30 and name   CB)
       ( resid    30 and name   HB)  6.7150  0.0000  0.0000
! I30-ch1 val=6.7150 values=6.715

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    30 and name  CD1)
       ( resid    30 and name  CG1) 17.1250  0.0000 100.0000
! I30-ch3 val=17.1250 values=-17.125

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    30 and name  CG1)
       ( resid    30 and name HG1#)  1.4610  0.0000 100.0000
! I30-ch2 val=1.4610 values=3.554 -0.632

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    30 and name  CG2)
       ( resid    30 and name   CB) -8.8730  0.0000  0.0000
! I30-ch3 val=-8.8730 values=8.873

! Q31-ch1 val=-12.9290 values=-12.929

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    31 and name   CB)
       ( resid    31 and name  HB#) -10.8715  0.0000  0.0000
! Q31-ch2 val=-10.8715 values=-10.865 -10.878

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    31 and name   CG)
       ( resid    31 and name  HG#) -8.6350 100.0000  0.0000
! Q31-ch2 val=-8.6350 values=-8.424 -8.846

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    32 and name   CB)
       ( resid    32 and name  HB#) 26.5700  0.0000 100.0000
! D32-ch2 val=26.5700 values=26.570

! K33-ch1 val=5.5590 values=5.559

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    33 and name   CB)
       ( resid    33 and name  HB#) 28.3235  0.0000  0.0000
! K33-ch2 val=28.3235 values=27.973 28.674

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    33 and name   CD)
       ( resid    33 and name  HD#) 31.9555  0.0000 100.0000
! K33-ch2 val=31.9555 values=32.065 31.846

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    33 and name   CE)
       ( resid    33 and name  HE#) 26.8950  0.0000 100.0000
! K33-ch2 val=26.8950 values=26.895

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    33 and name   CG)
       ( resid    33 and name  HG#) 37.5645  0.0000 100.0000
! K33-ch2 val=37.5645 values=37.308 37.821

! E34-ch1 val=13.4690 values=13.469

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    34 and name   CB)
       ( resid    34 and name  HB#) -23.8385 100.0000  0.0000
! E34-ch2 val=-23.8385 values=-23.255 -24.422

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    34 and name   CG)
       ( resid    34 and name  HG#) 23.2180  0.0000 100.0000
! E34-ch2 val=23.2180 values=23.218

! G35-ch2 val=46.3340 values=46.631 46.037

! I36-ch1 val=-53.2910 values=-53.291

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    36 and name   CB)
       ( resid    36 and name   HB) -46.3850  0.0000  0.0000
! I36-ch1 val=-46.3850 values=-46.385

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    36 and name  CD1)
       ( resid    36 and name  CG1) -2.0820 100.0000  0.0000
! I36-ch3 val=-2.0820 values=2.082

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    36 and name  CG2)
       ( resid    36 and name   CB) -14.5350  0.0000  0.0000
! I36-ch3 val=-14.5350 values=14.535

! P37-ch1 val=8.5960 values=8.596

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    37 and name   CD)
       ( resid    37 and name  HD#) 44.3750  0.0000 100.0000
! P37-ch2 val=44.3750 values=44.400 44.350

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    37 and name   CG)
       ( resid    37 and name  HG#) -27.0470 100.0000  0.0000
! P37-ch2 val=-27.0470 values=-27.047

! P38-ch1 val=7.3470 values=7.347

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    38 and name   CD)
       ( resid    38 and name  HD#) -11.6880 100.0000  0.0000
! P38-ch2 val=-11.6880 values=-11.688

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    38 and name   CG)
       ( resid    38 and name  HG#) 10.0195  0.0000 100.0000
! P38-ch2 val=10.0195 values=10.281 9.758

! D39-ch1 val=-3.5740 values=-3.574

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    39 and name   CB)
       ( resid    39 and name  HB#) 11.0470  0.0000 100.0000
! D39-ch2 val=11.0470 values=11.198 10.896

! Q40-ch1 val=-29.8800 values=-29.880

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    40 and name   CB)
       ( resid    40 and name  HB#) 24.2765  0.0000  0.0000
! Q40-ch2 val=24.2765 values=23.825 24.728

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    40 and name   CG)
       ( resid    40 and name  HG#) 30.0400  0.0000 100.0000
! Q40-ch2 val=30.0400 values=30.503 29.577

! Q41-ch1 val=34.5160 values=34.516

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    41 and name   CG)
       ( resid    41 and name  HG#) 19.0030  0.0000 100.0000
! Q41-ch2 val=19.0030 values=19.003

! R42-ch1 val=33.3530 values=33.353

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    42 and name   CB)
       ( resid    42 and name  HB#) 20.0820  0.0000 100.0000
! R42-ch2 val=20.0820 values=20.019 20.145

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    42 and name   CD)
       ( resid    42 and name  HD#) 10.6740  0.0000 100.0000
! R42-ch2 val=10.6740 values=10.674

! L43-ch1 val=21.3540 values=21.354

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    43 and name   CB)
       ( resid    43 and name  HB#) -14.1410  0.0000  0.0000
! L43-ch2 val=-14.1410 values=-14.428 -13.854

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    43 and name  CD1)
       ( resid    43 and name   CG)  1.0600  0.0000 100.0000
! L43-ch3 val=1.0600 values=-1.060

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    43 and name  CD2)
       ( resid    43 and name   CG)  8.9550  0.0000 100.0000
! L43-ch3 val=8.9550 values=-8.955

! I44-ch1 val=11.5630 values=11.563

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    44 and name   CB)
       ( resid    44 and name   HB)  7.4620  0.0000 100.0000
! I44-ch1 val=7.4620 values=7.462

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    44 and name  CD1)
       ( resid    44 and name  CG1) -15.0920 100.0000  0.0000
! I44-ch3 val=-15.0920 values=15.092

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    44 and name  CG1)
       ( resid    44 and name HG1#) 47.0570  0.0000 100.0000
! I44-ch2 val=47.0570 values=47.132 46.982

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    44 and name  CG2)
       ( resid    44 and name   CB) 27.1800  0.0000 100.0000
! I44-ch3 val=27.1800 values=-27.180

! F45-ch1 val=14.7610 values=14.761

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    45 and name   CB)
       ( resid    45 and name  HB#) 44.5977  0.0000  0.0000
! F45-ch2 val=44.5977 values=44.643 45.975 48.004 39.769

! A46-ch1 val=38.0110 values=38.011

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    46 and name   CB)
       ( resid    46 and name   CA) -39.0033  0.0000  0.0000
! A46-ch3 val=-39.0033 values=38.802 39.170 39.038

! G47-ch2 val=14.9000 values=14.754 15.046

! K48-ch1 val=-31.3550 values=-31.355

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    48 and name   CB)
       ( resid    48 and name  HB#)  8.2030  0.0000 100.0000
! K48-ch2 val=8.2030 values=8.203

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    48 and name   CD)
       ( resid    48 and name  HD#) 11.9000  0.0000 100.0000
! K48-ch2 val=11.9000 values=11.900

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    48 and name   CE)
       ( resid    48 and name  HE#)  9.1590  0.0000 100.0000
! K48-ch2 val=9.1590 values=9.159

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    48 and name   CG)
       ( resid    48 and name  HG#)  5.4770  0.0000 100.0000
! K48-ch2 val=5.4770 values=5.477

! Q49-ch1 val=6.0800 values=6.080

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    49 and name   CB)
       ( resid    49 and name  HB#) 39.3920  0.0000 100.0000
! Q49-ch2 val=39.3920 values=39.635 39.149

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    49 and name   CG)
       ( resid    49 and name  HG#) 25.8180  0.0000 100.0000
! Q49-ch2 val=25.8180 values=25.818

! L50-ch1 val=-9.5840 values=-9.584

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    50 and name   CB)
       ( resid    50 and name  HB#)  5.2245  0.0000  0.0000
! L50-ch2 val=5.2245 values=3.987 6.462

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    50 and name  CD1)
       ( resid    50 and name   CG) -5.1240 100.0000  0.0000
! L50-ch3 val=-5.1240 values=5.124

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    50 and name  CD2)
       ( resid    50 and name   CG) -13.9110 100.0000  0.0000
! L50-ch3 val=-13.9110 values=13.911

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    50 and name   CG)
       ( resid    50 and name   HG) -5.1980 100.0000  0.0000
! L50-ch1 val=-5.1980 values=-5.198

! E51-ch1 val=-51.5840 values=-51.584

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    51 and name   CB)
       ( resid    51 and name  HB#) -19.5835  0.0000  0.0000
! E51-ch2 val=-19.5835 values=-19.915 -19.252

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    51 and name   CG)
       ( resid    51 and name  HG#)  0.7300  0.0000 100.0000
! E51-ch2 val=0.7300 values=0.730

! D52-ch1 val=-12.8680 values=-12.868

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    52 and name   CB)
       ( resid    52 and name  HB#)  8.5385  0.0000  0.0000
! D52-ch2 val=8.5385 values=8.369 8.708

! G53-ch2 val=31.9180 values=31.918

! R54-ch1 val=7.4630 values=7.463

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    54 and name   CD)
       ( resid    54 and name  HD#)  0.9325  0.0000 100.0000
! R54-ch2 val=0.9325 values=-0.087 1.952

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    54 and name   CG)
       ( resid    54 and name  HG#)  0.0160  0.0000 100.0000
! R54-ch2 val=0.0160 values=0.600 -0.568

! T55-ch1 val=6.3810 values=6.381

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    55 and name   CB)
       ( resid    55 and name   HB) -17.9810  0.0000  0.0000
! T55-ch1 val=-17.9810 values=-17.981

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    55 and name  CG2)
       ( resid    55 and name   CB) 47.1040  0.0000  0.0000
! T55-ch3 val=47.1040 values=-47.104

! L56-ch1 val=-12.8750 values=-12.875

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    56 and name   CB)
       ( resid    56 and name  HB#) 23.3050  0.0000  0.0000
! L56-ch2 val=23.3050 values=23.470 23.140

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    56 and name  CD1)
       ( resid    56 and name   CG) -7.7780 100.0000  0.0000
! L56-ch3 val=-7.7780 values=7.778

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    56 and name  CD2)
       ( resid    56 and name   CG) -6.3150 100.0000  0.0000
! L56-ch3 val=-6.3150 values=6.315

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    56 and name   CG)
       ( resid    56 and name   HG) 34.2020  0.0000 100.0000
! L56-ch1 val=34.2020 values=34.202

! S57-ch1 val=18.0150 values=18.015

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    57 and name   CB)
       ( resid    57 and name  HB#) -1.3465 100.0000  0.0000
! S57-ch2 val=-1.3465 values=-1.240 -1.453

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    58 and name   CB)
       ( resid    58 and name  HB#) -17.2335  0.0000  0.0000
! D58-ch2 val=-17.2335 values=-17.450 -17.017

! Y59-ch1 val=6.6070 values=6.607

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    59 and name   CB)
       ( resid    59 and name  HB#) 65.9953  0.0000  0.0000
! Y59-ch2 val=65.9953 values=66.285 67.221 64.130 65.110 66.990 66.236

! N60-ch1 val=-11.8130 values=-11.813

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    60 and name   CB)
       ( resid    60 and name  HB#) -6.2847 100.0000  0.0000
! N60-ch2 val=-6.2847 values=-6.328 -5.654 -6.537 -6.620

! I61-ch1 val=55.0880 values=55.088

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    61 and name   CB)
       ( resid    61 and name   HB) 50.1380  0.0000  0.0000
! I61-ch1 val=50.1380 values=50.138

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    61 and name  CD1)
       ( resid    61 and name  CG1) -18.9290 100.0000  0.0000
! I61-ch3 val=-18.9290 values=18.929

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    61 and name  CG1)
       ( resid    61 and name HG1#) 51.8505  0.0000 100.0000
! I61-ch2 val=51.8505 values=51.983 51.718

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    61 and name  CG2)
       ( resid    61 and name   CB)  7.2580  0.0000  0.0000
! I61-ch3 val=7.2580 values=-7.258

! Q62-ch1 val=35.2320 values=35.232

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    62 and name   CB)
       ( resid    62 and name  HB#) -20.1045  0.0000  0.0000
! Q62-ch2 val=-20.1045 values=-19.974 -20.235

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    62 and name   CG)
       ( resid    62 and name  HG#) -18.6033 100.0000  0.0000
! Q62-ch2 val=-18.6033 values=-18.335 -18.397 -19.078

! K63-ch1 val=9.2590 values=9.259

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    63 and name   CB)
       ( resid    63 and name  HB#) 49.0485  0.0000  0.0000
! K63-ch2 val=49.0485 values=47.978 50.119

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    63 and name   CD)
       ( resid    63 and name  HD#) 41.3515  0.0000 100.0000
! K63-ch2 val=41.3515 values=40.695 42.008

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    63 and name   CE)
       ( resid    63 and name  HE#) 19.2710  0.0000 100.0000
! K63-ch2 val=19.2710 values=19.271

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    63 and name   CG)
       ( resid    63 and name  HG#) 46.2715  0.0000 100.0000
! K63-ch2 val=46.2715 values=46.230 46.313

! E64-ch1 val=-0.6980 values=-0.698

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    64 and name   CB)
       ( resid    64 and name  HB#) 20.0455  0.0000  0.0000
! E64-ch2 val=20.0455 values=20.062 20.029

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    64 and name   CG)
       ( resid    64 and name  HG#) -8.9150 100.0000  0.0000
! E64-ch2 val=-8.9150 values=-8.752 -9.078

! S65-ch1 val=52.6300 values=52.630

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    65 and name   CB)
       ( resid    65 and name  HB#)  5.0125  0.0000  0.0000
! S65-ch2 val=5.0125 values=4.913 5.112

! T66-ch1 val=34.1840 values=34.184

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    66 and name   CB)
       ( resid    66 and name   HB) 29.2560  0.0000  0.0000
! T66-ch1 val=29.2560 values=29.256

! L67-ch1 val=21.6690 values=21.669

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    67 and name  CD1)
       ( resid    67 and name   CG) -7.1930 100.0000  0.0000
! L67-ch3 val=-7.1930 values=7.193

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    67 and name  CD2)
       ( resid    67 and name   CG) 25.1860  0.0000 100.0000
! L67-ch3 val=25.1860 values=-25.186

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    67 and name   CG)
       ( resid    67 and name   HG) -10.3030 100.0000  0.0000
! L67-ch1 val=-10.3030 values=-10.303

! H68-ch1 val=3.3730 values=3.373

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    68 and name   CB)
       ( resid    68 and name  HB#) -44.1967  0.0000  0.0000
! H68-ch2 val=-44.1967 values=-43.501 -45.223 -44.443 -43.620

! L69-ch1 val=22.0290 values=22.029

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    69 and name   CB)
       ( resid    69 and name  HB#) -20.0400  0.0000  0.0000
! L69-ch2 val=-20.0400 values=-20.040

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    69 and name  CD1)
       ( resid    69 and name   CG) 14.4860  0.0000 100.0000
! L69-ch3 val=14.4860 values=-14.486

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    69 and name  CD2)
       ( resid    69 and name   CG) 11.6200  0.0000 100.0000
! L69-ch3 val=11.6200 values=-11.620

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    69 and name   CG)
       ( resid    69 and name   HG) -30.6190 100.0000  0.0000
! L69-ch1 val=-30.6190 values=-30.619

! V70-ch1 val=23.5720 values=23.572

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    70 and name   CB)
       ( resid    70 and name   HB) -5.5000 100.0000  0.0000
! V70-ch1 val=-5.5000 values=-5.500

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    70 and name  CG2)
       ( resid    70 and name   CB) 10.9620  0.0000 100.0000
! V70-ch3 val=10.9620 values=-10.962

! squalamine RDCs
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid     4 and name    N)
       ( resid     4 and name   HN)  -3.070  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid     5 and name    N)
       ( resid     5 and name   HN)  -9.890  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid     6 and name    N)
       ( resid     6 and name   HN) -17.280  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid     7 and name    N)
       ( resid     7 and name   HN) -15.150  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid     8 and name    N)
       ( resid     8 and name   HN)  17.230  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid     9 and name    N)
       ( resid     9 and name   HN)  26.580  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    10 and name    N)
       ( resid    10 and name   HN)  -4.980  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    11 and name    N)
       ( resid    11 and name   HN) -14.710  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    12 and name    N)
       ( resid    12 and name   HN) -13.010  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    13 and name    N)
       ( resid    13 and name   HN) -13.010  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    14 and name    N)
       ( resid    14 and name   HN) -11.260  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    15 and name    N)
       ( resid    15 and name   HN)  10.890  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    16 and name    N)
       ( resid    16 and name   HN)  -1.480  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    17 and name    N)
       ( resid    17 and name   HN)   9.680  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    18 and name    N)
       ( resid    18 and name   HN) -13.120  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    20 and name    N)
       ( resid    20 and name   HN) -10.340  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    21 and name    N)
       ( resid    21 and name   HN)   8.200  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    22 and name    N)
       ( resid    22 and name   HN)  25.920  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    23 and name    N)
       ( resid    23 and name   HN) -17.440  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    25 and name    N)
       ( resid    25 and name   HN) -18.810  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    26 and name    N)
       ( resid    26 and name   HN) -18.050  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    27 and name    N)
       ( resid    27 and name   HN) -15.210  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    28 and name    N)
       ( resid    28 and name   HN) -19.250  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    29 and name    N)
       ( resid    29 and name   HN) -15.090  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    30 and name    N)
       ( resid    30 and name   HN) -17.550  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    31 and name    N)
       ( resid    31 and name   HN) -13.390  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    32 and name    N)
       ( resid    32 and name   HN) -19.080  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    33 and name    N)
       ( resid    33 and name   HN) -16.350  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    34 and name    N)
       ( resid    34 and name   HN) -15.090  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    35 and name    N)
       ( resid    35 and name   HN)  -4.370  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    36 and name    N)
       ( resid    36 and name   HN) -17.390  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    39 and name    N)
       ( resid    39 and name   HN)  16.240  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    40 and name    N)
       ( resid    40 and name   HN)   1.590  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    41 and name    N)
       ( resid    41 and name   HN)  30.950  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    42 and name    N)
       ( resid    42 and name   HN)   2.250  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    43 and name    N)
       ( resid    43 and name   HN)   5.250  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    44 and name    N)
       ( resid    44 and name   HN) -15.800  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    45 and name    N)
       ( resid    45 and name   HN) -16.140  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    46 and name    N)
       ( resid    46 and name   HN) -15.910  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    47 and name    N)
       ( resid    47 and name   HN) -15.370  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    48 and name    N)
       ( resid    48 and name   HN) -18.710  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    49 and name    N)
       ( resid    49 and name   HN) -11.370  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    50 and name    N)
       ( resid    50 and name   HN) -14.660  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    51 and name    N)
       ( resid    51 and name   HN) -18.710  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    52 and name    N)
       ( resid    52 and name   HN) -17.660  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    54 and name    N)
       ( resid    54 and name   HN)  -5.030  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    55 and name    N)
       ( resid    55 and name   HN) -16.510  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    56 and name    N)
       ( resid    56 and name   HN)  18.260  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    57 and name    N)
       ( resid    57 and name   HN)  27.230  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    58 and name    N)
       ( resid    58 and name   HN)  10.940  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    59 and name    N)
       ( resid    59 and name   HN)   5.300  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    60 and name    N)
       ( resid    60 and name   HN)  30.240  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    61 and name    N)
       ( resid    61 and name   HN)  24.940  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    62 and name    N)
       ( resid    62 and name   HN)  27.010  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    63 and name    N)
       ( resid    63 and name   HN) -14.210  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    64 and name    N)
       ( resid    64 and name   HN)  25.100  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    65 and name    N)
       ( resid    65 and name   HN)  31.110  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    66 and name    N)
       ( resid    66 and name   HN)  11.710  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    67 and name    N)
       ( resid    67 and name   HN)  -3.450  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    68 and name    N)
       ( resid    68 and name   HN) -16.460  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    69 and name    N)
       ( resid    69 and name   HN)  -5.520  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    70 and name    N)
       ( resid    70 and name   HN)   9.140  0.000  0.000

assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid     4 and name    N)
       ( resid     3 and name    C)   2.980  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid     5 and name    N)
       ( resid     4 and name    C)  -2.410  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid     6 and name    N)
       ( resid     5 and name    C)   2.320  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid     7 and name    N)
       ( resid     6 and name    C)  -2.470  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid     8 and name    N)
       ( resid     7 and name    C)  -2.390  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid     9 and name    N)
       ( resid     8 and name    C)  -0.230  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    10 and name    N)
       ( resid     9 and name    C)  -2.140  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    11 and name    N)
       ( resid    10 and name    C)   2.880  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    12 and name    N)
       ( resid    11 and name    C)  -2.070  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    13 and name    N)
       ( resid    12 and name    C)   1.290  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    14 and name    N)
       ( resid    13 and name    C)  -0.110  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    15 and name    N)
       ( resid    14 and name    C)  -2.100  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    16 and name    N)
       ( resid    15 and name    C)   3.910  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    17 and name    N)
       ( resid    16 and name    C)  -1.890  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    18 and name    N)
       ( resid    17 and name    C)   0.240  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    20 and name    N)
       ( resid    19 and name    C)   4.350  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    21 and name    N)
       ( resid    20 and name    C)  -0.900  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    22 and name    N)
       ( resid    21 and name    C)  -1.130  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    23 and name    N)
       ( resid    22 and name    C)   0.710  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    24 and name    N)
       ( resid    23 and name    C)   2.010  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    25 and name    N)
       ( resid    24 and name    C)  -2.480  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    26 and name    N)
       ( resid    25 and name    C)   3.590  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    27 and name    N)
       ( resid    26 and name    C)  -2.410  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    29 and name    N)
       ( resid    28 and name    C)  -1.270  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    30 and name    N)
       ( resid    29 and name    C)   0.970  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    31 and name    N)
       ( resid    30 and name    C)   1.130  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    32 and name    N)
       ( resid    31 and name    C)  -1.360  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    33 and name    N)
       ( resid    32 and name    C)   3.170  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    34 and name    N)
       ( resid    33 and name    C)  -1.690  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    35 and name    N)
       ( resid    34 and name    C)   3.330  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    36 and name    N)
       ( resid    35 and name    C)   0.090  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    39 and name    N)
       ( resid    38 and name    C)  -1.680  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    40 and name    N)
       ( resid    39 and name    C)  -1.300  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    41 and name    N)
       ( resid    40 and name    C)  -1.860  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    42 and name    N)
       ( resid    41 and name    C)   4.260  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    43 and name    N)
       ( resid    42 and name    C)  -2.430  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    44 and name    N)
       ( resid    43 and name    C)   2.730  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    45 and name    N)
       ( resid    44 and name    C)  -2.410  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    46 and name    N)
       ( resid    45 and name    C)   2.870  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    47 and name    N)
       ( resid    46 and name    C)  -2.700  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    48 and name    N)
       ( resid    47 and name    C)   2.750  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    49 and name    N)
       ( resid    48 and name    C)  -1.460  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    50 and name    N)
       ( resid    49 and name    C)   0.400  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    51 and name    N)
       ( resid    50 and name    C)   0.220  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    52 and name    N)
       ( resid    51 and name    C)   0.190  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    53 and name    N)
       ( resid    52 and name    C)  -2.040  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    54 and name    N)
       ( resid    53 and name    C)   3.720  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    55 and name    N)
       ( resid    54 and name    C)  -2.520  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    56 and name    N)
       ( resid    55 and name    C)  -2.240  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    57 and name    N)
       ( resid    56 and name    C)  -0.210  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    58 and name    N)
       ( resid    57 and name    C)  -1.480  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    59 and name    N)
       ( resid    58 and name    C)  -1.320  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    60 and name    N)
       ( resid    59 and name    C)  -1.270  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    61 and name    N)
       ( resid    60 and name    C)   0.260  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    62 and name    N)
       ( resid    61 and name    C)   0.860  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    63 and name    N)
       ( resid    62 and name    C)  -1.850  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    64 and name    N)
       ( resid    63 and name    C)  -2.430  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    65 and name    N)
       ( resid    64 and name    C)  -1.080  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    66 and name    N)
       ( resid    65 and name    C)   1.190  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    67 and name    N)
       ( resid    66 and name    C)   1.420  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    68 and name    N)
       ( resid    67 and name    C)  -1.870  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    69 and name    N)
       ( resid    68 and name    C)  -2.800  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    70 and name    N)
       ( resid    69 and name    C)  -1.910  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    71 and name    N)
       ( resid    70 and name    C)  -2.830  0.000  0.000


assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid     4 and name   CA)
       ( resid     4 and name    C)  -3.510  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid     5 and name   CA)
       ( resid     5 and name    C)   0.690  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid     6 and name   CA)
       ( resid     6 and name    C)  -3.590  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid     7 and name   CA)
       ( resid     7 and name    C)   4.900  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid     8 and name   CA)
       ( resid     8 and name    C)  -1.120  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid     9 and name   CA)
       ( resid     9 and name    C)  -2.450  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    10 and name   CA)
       ( resid    10 and name    C)   1.030  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    11 and name   CA)
       ( resid    11 and name    C)  -2.630  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    12 and name   CA)
       ( resid    12 and name    C)   5.300  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    13 and name   CA)
       ( resid    13 and name    C)  -4.010  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    14 and name   CA)
       ( resid    14 and name    C)   6.440  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    15 and name   CA)
       ( resid    15 and name    C)  -3.550  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    16 and name   CA)
       ( resid    16 and name    C)  -0.590  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    17 and name   CA)
       ( resid    17 and name    C)  -4.110  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    19 and name   CA)
       ( resid    19 and name    C)  -0.320  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    20 and name   CA)
       ( resid    20 and name    C)  -3.840  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    21 and name   CA)
       ( resid    21 and name    C)  -1.540  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    22 and name   CA)
       ( resid    22 and name    C)   0.410  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    24 and name   CA)
       ( resid    24 and name    C)  -2.410  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    25 and name   CA)
       ( resid    25 and name    C)   2.400  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    26 and name   CA)
       ( resid    26 and name    C)  -3.580  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    27 and name   CA)
       ( resid    27 and name    C)   2.010  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    28 and name   CA)
       ( resid    28 and name    C)  -2.910  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    29 and name   CA)
       ( resid    29 and name    C)   1.870  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    30 and name   CA)
       ( resid    30 and name    C)  -2.460  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    31 and name   CA)
       ( resid    31 and name    C)  -1.580  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    32 and name   CA)
       ( resid    32 and name    C)   1.470  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    33 and name   CA)
       ( resid    33 and name    C)  -1.320  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    34 and name   CA)
       ( resid    34 and name    C)  -2.830  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    35 and name   CA)
       ( resid    35 and name    C)  -2.600  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    38 and name   CA)
       ( resid    38 and name    C)  -1.570  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    39 and name   CA)
       ( resid    39 and name    C)   5.560  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    40 and name   CA)
       ( resid    40 and name    C)   0.410  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    41 and name   CA)
       ( resid    41 and name    C)  -2.300  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    42 and name   CA)
       ( resid    42 and name    C)  -2.290  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    43 and name   CA)
       ( resid    43 and name    C)   0.740  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    44 and name   CA)
       ( resid    44 and name    C)  -3.550  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    45 and name   CA)
       ( resid    45 and name    C)   2.130  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    46 and name   CA)
       ( resid    46 and name    C)  -3.260  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    47 and name   CA)
       ( resid    47 and name    C)   2.360  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    48 and name   CA)
       ( resid    48 and name    C)   2.520  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    49 and name   CA)
       ( resid    49 and name    C)   3.570  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    50 and name   CA)
       ( resid    50 and name    C)   3.280  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    51 and name   CA)
       ( resid    51 and name    C)   4.040  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    53 and name   CA)
       ( resid    53 and name    C)  -3.390  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    54 and name   CA)
       ( resid    54 and name    C)  -3.450  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    55 and name   CA)
       ( resid    55 and name    C)   6.190  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    56 and name   CA)
       ( resid    56 and name    C)  -2.950  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    57 and name   CA)
       ( resid    57 and name    C)  -1.860  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    58 and name   CA)
       ( resid    58 and name    C)   6.530  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    59 and name   CA)
       ( resid    59 and name    C)  -0.810  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    60 and name   CA)
       ( resid    60 and name    C)  -2.460  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    61 and name   CA)
       ( resid    61 and name    C)  -3.070  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    62 and name   CA)
       ( resid    62 and name    C)  -3.230  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    63 and name   CA)
       ( resid    63 and name    C)   5.030  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    64 and name   CA)
       ( resid    64 and name    C)   0.060  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    65 and name   CA)
       ( resid    65 and name    C)  -4.570  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    66 and name   CA)
       ( resid    66 and name    C)  -3.580  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    67 and name   CA)
       ( resid    67 and name    C)  -2.760  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    68 and name   CA)
       ( resid    68 and name    C)   1.490  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    69 and name   CA)
       ( resid    69 and name    C)  -1.150  0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    70 and name   CA)
       ( resid    70 and name    C)   2.410  0.000  0.000

assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid     1 and name   CA)
       ( resid     1 and name   HA)  -36.94   0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid     2 and name   CA)
       ( resid     2 and name   HA)  18.81    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid     3 and name   CA)
       ( resid     3 and name   HA)   19.56    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid     4 and name   CA)
       ( resid     4 and name   HA)  5.05    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid     5 and name   CA)
       ( resid     5 and name   HA)  -23.59    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid     6 and name   CA)
       ( resid     6 and name   HA) -34.34    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid     7 and name   CA)
       ( resid     7 and name   HA) -10.86    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid     8 and name   CA)
       ( resid     8 and name   HA)  1.41    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid     9 and name   CA)
       ( resid     9 and name   HA)  30.33   0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    11 and name   CA)
       ( resid    11 and name   HA) -16.39    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    13 and name   CA)
       ( resid    13 and name   HA) -35.97   0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    14 and name   CA)
       ( resid    14 and name   HA) -5.66    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    15 and name   CA)
       ( resid    15 and name   HA)  1.37   0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    16 and name   CA)
       ( resid    16 and name   HA)  22.13   0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    17 and name   CA)
       ( resid    17 and name   HA)   37.02    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    20 and name   CA)
       ( resid    20 and name   HA) -23.48    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    22 and name   CA)
       ( resid    22 and name   HA)  -10.81    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    24 and name   CA)
       ( resid    24 and name   HA) -7.89    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    25 and name   CA)
       ( resid    25 and name   HA) 10.58    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    26 and name   CA)
       ( resid    26 and name   HA) -29.85    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    27 and name   CA)
       ( resid    27 and name   HA) 56.28    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    29 and name   CA)
       ( resid    29 and name   HA) 24.15    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    30 and name   CA)
       ( resid    30 and name   HA) -17.50    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    31 and name   CA)
       ( resid    31 and name   HA) 11.06    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    32 and name   CA)
       ( resid    32 and name   HA) 6.24    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    33 and name   CA)
       ( resid    33 and name   HA) -8.16    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    34 and name   CA)
       ( resid    34 and name   HA) -27.46   0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    38 and name   CA)
       ( resid    38 and name   HA) 20.88    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    39 and name   CA)
       ( resid    39 and name   HA)  -46.94    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    40 and name   CA)
       ( resid    40 and name   HA)   -17.82    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    41 and name   CA)
       ( resid    41 and name   HA)  37.31    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    43 and name   CA)
       ( resid    43 and name   HA)   -7.66    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    44 and name   CA)
       ( resid    44 and name   HA) -31.04    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    45 and name   CA)
       ( resid    45 and name   HA) -18.53    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    46 and name   CA)
       ( resid    46 and name   HA) 44.54    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    48 and name   CA)
       ( resid    48 and name   HA) -28.34   0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    49 and name   CA)
       ( resid    49 and name   HA) -30.31    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    50 and name   CA)
       ( resid    50 and name   HA) -32.99    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    54 and name   CA)
       ( resid    54 and name   HA)  -3.44    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    55 and name   CA)
       ( resid    55 and name   HA) -25.70    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    58 and name   CA)
       ( resid    58 and name   HA)  -44.59    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    59 and name   CA)
       ( resid    59 and name   HA)   -12.84    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    60 and name   CA)
       ( resid    60 and name   HA)  23.37    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    62 and name   CA)
       ( resid    62 and name   HA)  53.24    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    63 and name   CA)
       ( resid    63 and name   HA) 16.11    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    64 and name   CA)
       ( resid    64 and name   HA)  -31.67    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    67 and name   CA)
       ( resid    67 and name   HA)  -9.98    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    68 and name   CA)
       ( resid    68 and name   HA) -36.61    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    69 and name   CA)
       ( resid    69 and name   HA)  -1.25    0.000  0.000
assign ( resid   503 and name   OO)
       ( resid   503 and name    Z)
       ( resid   503 and name    X)
       ( resid   503 and name    Y)
       ( resid    71 and name   CA)
       ( resid    71 and name   HA)   50.01    0.000  0.000

! Pf1 RDCs

assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid     2 and name    N)
       ( resid     2 and name   HN)  -11.822   0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid     3 and name    N)
       ( resid     3 and name   HN)   23.110   0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid     4 and name    N)
       ( resid     4 and name   HN)  14.190   0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid     5 and name    N)
       ( resid     5 and name   HN)  -1.411   0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid     6 and name    N)
       ( resid     6 and name   HN) -27.394   0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid     7 and name    N)
       ( resid     7 and name   HN) -38.140   0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid     8 and name    N)
       ( resid     8 and name   HN)  -6.886   0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid     9 and name    N)
       ( resid     9 and name   HN)  27.820   0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    10 and name    N)
       ( resid    10 and name   HN)  -37.493  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    11 and name    N)
       ( resid    11 and name   HN) -24.271   0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    12 and name    N)
       ( resid    12 and name   HN) -40.188   0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    13 and name    N)
       ( resid    13 and name   HN) -8.729   0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    14 and name    N)
       ( resid    14 and name   HN) -5.003   0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    15 and name    N)
       ( resid    15 and name   HN)  34.450   0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    16 and name    N)
       ( resid    16 and name   HN)  7.884   0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    17 and name    N)
       ( resid    17 and name   HN)   -1.907  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    18 and name    N)
       ( resid    18 and name   HN) -20.910  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    20 and name    N)
       ( resid    20 and name   HN) 11.630   0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    21 and name    N)
       ( resid    21 and name   HN)   -27.996 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    22 and name    N)
       ( resid    22 and name   HN)  55.690  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    23 and name    N)
       ( resid    23 and name   HN) -29.704  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    25 and name    N)
       ( resid    25 and name   HN) -22.992  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    26 and name    N)
       ( resid    26 and name   HN) -22.410  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    27 and name    N)
       ( resid    27 and name   HN) -43.030  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    29 and name    N)
       ( resid    29 and name   HN) -15.771  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    30 and name    N)
       ( resid    30 and name   HN) -39.078  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    31 and name    N)
       ( resid    31 and name   HN) -37.749  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    32 and name    N)
       ( resid    32 and name   HN) -28.100  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    33 and name    N)
       ( resid    33 and name   HN) -18.946  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    34 and name    N)
       ( resid    34 and name   HN) -42.283  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    35 and name    N)
       ( resid    35 and name   HN)  12.040  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    36 and name    N)
       ( resid    36 and name   HN) -15.810  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    39 and name    N)
       ( resid    39 and name   HN)  39.280  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    40 and name    N)
       ( resid    40 and name   HN)   34.960  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    41 and name    N)
       ( resid    41 and name   HN)  24.880  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    43 and name    N)
       ( resid    43 and name   HN)   -42.482  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    44 and name    N)
       ( resid    44 and name   HN) -48.104  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    45 and name    N)
       ( resid    45 and name   HN) -42.536  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    46 and name    N)
       ( resid    46 and name   HN) -46.420  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    47 and name    N)
       ( resid    47 and name   HN) -27.901  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    48 and name    N)
       ( resid    48 and name   HN) -10.683  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    49 and name    N)
       ( resid    49 and name   HN) 1.339    0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    50 and name    N)
       ( resid    50 and name   HN) -45.682  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    51 and name    N)
       ( resid    51 and name   HN) -8.700  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    52 and name    N)
       ( resid    52 and name   HN) 2.642   0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    54 and name    N)
       ( resid    54 and name   HN)  -8.325  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    55 and name    N)
       ( resid    55 and name   HN) -18.253  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    56 and name    N)
       ( resid    56 and name   HN)  50.870  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    57 and name    N)
       ( resid    57 and name   HN)  39.190  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    58 and name    N)
       ( resid    58 and name   HN)  28.590  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    59 and name    N)
       ( resid    59 and name   HN)   34.580  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    61 and name    N)
       ( resid    61 and name   HN)  -6.260  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    62 and name    N)
       ( resid    62 and name   HN)  45.870  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    63 and name    N)
       ( resid    63 and name   HN) -7.334  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    64 and name    N)
       ( resid    64 and name   HN)  43.390  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    65 and name    N)
       ( resid    65 and name   HN)  22.580  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    66 and name    N)
       ( resid    66 and name   HN)  34.260  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    67 and name    N)
       ( resid    67 and name   HN)  16.660  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    68 and name    N)
       ( resid    68 and name   HN) -42.047  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    69 and name    N)
       ( resid    69 and name   HN)  -51.080  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    70 and name    N)
       ( resid    70 and name   HN)   -24.238  0.000  0.000

assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid     1 and name   CA)
       ( resid     1 and name   HA)  -64.99409 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid     2 and name   CA)
       ( resid     2 and name   HA)  21.27776 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid     3 and name   CA)
       ( resid     3 and name   HA)   31.63489 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid     4 and name   CA)
       ( resid     4 and name   HA)  49.52038  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid     5 and name   CA)
       ( resid     5 and name   HA)  1.87082  0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid     6 and name   CA)
       ( resid     6 and name   HA) -42.7133 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    11 and name   CA)
       ( resid    11 and name   HA) -84.57008 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    13 and name   CA)
       ( resid    13 and name   HA) -48.14544 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    14 and name   CA)
       ( resid    14 and name   HA) 39.12944 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    15 and name   CA)
       ( resid    15 and name   HA)  41.0228 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    16 and name   CA)
       ( resid    16 and name   HA)  17.3558 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    17 and name   CA)
       ( resid    17 and name   HA)   38.45324 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    20 and name   CA)
       ( resid    20 and name   HA)  13.78321 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    21 and name   CA)
       ( resid    21 and name   HA)   80.14097 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    22 and name   CA)
       ( resid    22 and name   HA)  28.41167 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    24 and name   CA)
       ( resid    24 and name   HA) 16.3415 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    25 and name   CA)
       ( resid    25 and name   HA) 43.3895 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    26 and name   CA)
       ( resid    26 and name   HA) -15.95832 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    27 and name   CA)
       ( resid    27 and name   HA) -5.61246 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    28 and name   CA)
       ( resid    28 and name   HA) -28.91882 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    29 and name   CA)
       ( resid    29 and name   HA) 99.36759 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    30 and name   CA)
       ( resid    30 and name   HA) -76.24155 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    31 and name   CA)
       ( resid    31 and name   HA) 33.68603 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    32 and name   CA)
       ( resid    32 and name   HA) 25.6956 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    33 and name   CA)
       ( resid    33 and name   HA) 35.21875 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    34 and name   CA)
       ( resid    34 and name   HA) -107.36929 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    38 and name   CA)
       ( resid    38 and name   HA) -33.19015 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    39 and name   CA)
       ( resid    39 and name   HA)  -52.92392 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    40 and name   CA)
       ( resid    40 and name   HA)   16.51055 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    41 and name   CA)
       ( resid    41 and name   HA)  -32.85205 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    42 and name   CA)
       ( resid    42 and name   HA)   -40.2339 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    44 and name   CA)
       ( resid    44 and name   HA) -108.90201 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    46 and name   CA)
       ( resid    46 and name   HA) -40.27898 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    48 and name   CA)
       ( resid    48 and name   HA) 23.64446 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    49 and name   CA)
       ( resid    49 and name   HA) -91.53494 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    50 and name   CA)
       ( resid    50 and name   HA) -34.88065 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    51 and name   CA)
       ( resid    51 and name   HA) -21.27776 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    54 and name   CA)
       ( resid    54 and name   HA)  -47.13114 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    59 and name   CA)
       ( resid    59 and name   HA)   20.59029 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    60 and name   CA)
       ( resid    60 and name   HA)  71.86879 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    61 and name   CA)
       ( resid    61 and name   HA)  73.33389 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    62 and name   CA)
       ( resid    62 and name   HA)  56.31619 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    63 and name   CA)
       ( resid    63 and name   HA)  28.27643 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    64 and name   CA)
       ( resid    64 and name   HA)  -14.14385 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    65 and name   CA)
       ( resid    65 and name   HA)  78.439 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    66 and name   CA)
       ( resid    66 and name   HA)  64.31789 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    67 and name   CA)
       ( resid    67 and name   HA)  25.52655 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    68 and name   CA)
       ( resid    68 and name   HA) -92.06463 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    69 and name   CA)
       ( resid    69 and name   HA)  -84.91945 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    70 and name   CA)
       ( resid    70 and name   HA)   -76.0725 0.000  0.000
assign ( resid   502 and name   OO)
       ( resid   502 and name    Z)
       ( resid   502 and name    X)
       ( resid   502 and name    Y)
       ( resid    71 and name   CA)
       ( resid    71 and name   HA)   49.85848 0.000  0.000

! 3JNC' couplings within the HBDB file

assign (acc and resi  2 and name O) (don and resi 64 and name HN) -0.798
assign (acc and resi  3 and name O) (don and resi 15 and name HN) -0.574
assign (acc and resi  4 and name O) (don and resi 67 and name HN) -0.625
assign (acc and resi  5 and name O) (don and resi 13 and name HN) -0.695
assign (acc and resi  6 and name O) (don and resi 69 and name HN) -0.516
assign (acc and resi 11 and name O) (don and resi  7 and name HN) -0.547
assign (acc and resi 13 and name O) (don and resi  5 and name HN) 
assign (acc and resi 15 and name O) (don and resi  3 and name HN) -0.426
assign (acc and resi 17 and name O) (don and resi  1 and name HN) 
assign (acc and resi 19 and name O) (don and resi 57 and name HN) -0.378
assign (acc and resi 21 and name O) (don and resi 56 and name HN) -0.477
assign (acc and resi 22 and name O) (don and resi 26 and name HN) -0.265
assign (acc and resi 23 and name O) (don and resi 27 and name HN) -0.493
assign (acc and resi 24 and name O) (don and resi 28 and name HN) -0.243
assign (acc and resi 25 and name O) (don and resi 29 and name HN) -0.247 
assign (acc and resi 26 and name O) (don and resi 30 and name HN) -0.360 
assign (acc and resi 27 and name O) (don and resi 31 and name HN) -0.379
assign (acc and resi 28 and name O) (don and resi 32 and name HN) -0.276
assign (acc and resi 29 and name O) (don and resi 33 and name HN) -0.176
assign (acc and resi 30 and name O) (don and resi 34 and name HN) -0.654
assign (acc and resi 31 and name O) (don and resi 35 and name HN) -0.194
assign (acc and resi 37 and name O) (don and resi 40 and name HN) 
assign (acc and resi 38 and name O) (don and resi 41 and name HN) 
assign (acc and resi 40 and name O) (don and resi 72 and name HN) 
assign (acc and resi 42 and name O) (don and resi 70 and name HN) -0.557
assign (acc and resi 43 and name O) (don and resi 50 and name HN) -0.595
assign (acc and resi 44 and name O) (don and resi 68 and name HN) -0.611
assign (acc and resi 45 and name O) (don and resi 48 and name HN) 
assign (acc and resi 48 and name O) (don and resi 45 and name HN) -0.486
assign (acc and resi 51 and name O) (don and resi 54 and name HN) 
assign (acc and resi 54 and name O) (don and resi 23 and name HN) -0.541
assign (acc and resi 57 and name O) (don and resi 60 and name HN) 
assign (acc and resi 62 and name O) (don and resi 65 and name HN) -0.147
assign (acc and resi 65 and name O) (don and resi  4 and name HN) -0.570
assign (acc and resi 67 and name O) (don and resi  6 and name HN) -0.576
assign (acc and resi 68 and name O) (don and resi 44 and name HN) -0.565
assign (acc and resi 70 and name O) (don and resi 42 and name HN) -0.479




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           1HT      MET   1   4.974 -12.154   1.353
    2    H2   MET   1           2HT      MET   1   4.415 -13.742   1.059
    3    H3   MET   1           3HT      MET   1   5.792 -13.488   2.049
    4    HA   MET   1           HA       MET   1   3.851 -14.030   3.297
    5    HB2  MET   1           2HB      MET   1   3.993 -12.093   4.867
    6    HB3  MET   1           1HB      MET   1   5.560 -12.679   4.351
    7    HG2  MET   1           2HG      MET   1   5.732 -10.815   2.771
    8    HG3  MET   1           1HG      MET   1   4.153 -10.236   3.301
    9    HE1  MET   1           2HE      MET   1   5.143  -7.653   5.593
   10    HE2  MET   1           3HE      MET   1   4.149  -8.287   4.282
   11    HE3  MET   1           1HE      MET   1   5.765  -7.666   3.942
   12    H    GLN   2           H        GLN   2   1.734 -13.450   4.069
   13    HA   GLN   2           HA       GLN   2   0.096 -12.016   2.083
   14    HB2  GLN   2           2HB      GLN   2  -0.654 -13.823   4.394
   15    HB3  GLN   2           1HB      GLN   2  -1.810 -13.043   3.322
   16    HG2  GLN   2           2HG      GLN   2  -0.876 -14.258   1.422
   17    HG3  GLN   2           1HG      GLN   2   0.293 -15.036   2.489
   18   HE21  GLN   2          1HE2      GLN   2  -3.122 -14.830   1.608
   19   HE22  GLN   2          2HE2      GLN   2  -3.579 -16.313   2.366
   20    H    ILE   3           H        ILE   3  -1.161 -10.254   2.557
   21    HA   ILE   3           HA       ILE   3  -1.111  -9.132   5.267
   22    HB   ILE   3           HB       ILE   3  -0.783  -6.872   4.402
   23   HG12  ILE   3          2HG1      ILE   3   0.117  -8.042   1.758
   24   HG13  ILE   3          1HG1      ILE   3  -1.536  -7.480   1.989
   25   HG21  ILE   3          1HG2      ILE   3   1.101  -8.079   5.284
   26   HG22  ILE   3          2HG2      ILE   3   1.633  -7.081   3.930
   27   HG23  ILE   3          3HG2      ILE   3   1.413  -8.820   3.715
   28   HD11  ILE   3          3HD1      ILE   3   0.809  -5.718   2.562
   29   HD12  ILE   3          1HD1      ILE   3  -0.869  -5.270   2.265
   30   HD13  ILE   3          2HD1      ILE   3   0.129  -5.876   0.942
   31    H    PHE   4           H        PHE   4  -2.974  -7.418   5.540
   32    HA   PHE   4           HA       PHE   4  -5.243  -8.053   3.761
   33    HB2  PHE   4           2HB      PHE   4  -5.244  -7.605   6.756
   34    HB3  PHE   4           1HB      PHE   4  -6.678  -7.812   5.773
   35    HD1  PHE   4           1HD      PHE   4  -7.223  -9.992   4.798
   36    HD2  PHE   4           2HD      PHE   4  -3.854  -9.487   7.353
   37    HE1  PHE   4           1HE      PHE   4  -7.085 -12.431   5.090
   38    HE2  PHE   4           2HE      PHE   4  -3.714 -11.928   7.651
   39    HZ   PHE   4           HZ       PHE   4  -5.329 -13.401   6.517
   40    H    VAL   5           H        VAL   5  -6.496  -6.335   3.057
   41    HA   VAL   5           HA       VAL   5  -5.818  -3.632   4.087
   42    HB   VAL   5           HB       VAL   5  -6.682  -4.251   1.239
   43   HG11  VAL   5          1HG1      VAL   5  -7.318  -1.988   2.117
   44   HG12  VAL   5          2HG1      VAL   5  -6.202  -1.926   0.754
   45   HG13  VAL   5          3HG1      VAL   5  -5.607  -1.664   2.394
   46   HG21  VAL   5          3HG2      VAL   5  -4.446  -5.083   1.521
   47   HG22  VAL   5          1HG2      VAL   5  -3.946  -3.610   2.359
   48   HG23  VAL   5          2HG2      VAL   5  -4.352  -3.559   0.639
   49    H    LYS   6           H        LYS   6  -7.537  -2.594   5.025
   50    HA   LYS   6           HA       LYS   6 -10.256  -3.655   4.571
   51    HB2  LYS   6           2HB      LYS   6  -8.877  -2.465   6.925
   52    HB3  LYS   6           1HB      LYS   6 -10.573  -2.022   6.729
   53    HG2  LYS   6           2HG      LYS   6 -10.883  -4.627   6.438
   54    HG3  LYS   6           1HG      LYS   6  -9.342  -4.698   7.287
   55    HD2  LYS   6           2HD      LYS   6 -10.303  -3.408   9.125
   56    HD3  LYS   6           1HD      LYS   6 -11.842  -3.336   8.265
   57    HE2  LYS   6           2HE      LYS   6 -12.134  -5.694   8.439
   58    HE3  LYS   6           1HE      LYS   6 -10.493  -5.911   9.048
   59    HZ1  LYS   6           3HZ      LYS   6 -11.090  -4.767  11.060
   60    HZ2  LYS   6           1HZ      LYS   6 -12.195  -6.022  10.797
   61    HZ3  LYS   6           2HZ      LYS   6 -12.637  -4.424  10.467
   62    H    THR   7           H        THR   7 -11.887  -2.396   3.768
   63    HA   THR   7           HA       THR   7 -11.165   0.292   2.840
   64    HB   THR   7           HB       THR   7 -12.850   0.089   1.155
   65    HG1  THR   7           1HG      THR   7 -14.405  -1.422   1.149
   66   HG21  THR   7          3HG2      THR   7 -11.650  -2.655   1.285
   67   HG22  THR   7          1HG2      THR   7 -10.794  -1.222   0.717
   68   HG23  THR   7          2HG2      THR   7 -12.230  -1.790  -0.137
   69    H    LEU   8           H        LEU   8 -12.840   2.005   2.846
   70    HA   LEU   8           HA       LEU   8 -13.884   2.364   5.441
   71    HB2  LEU   8           2HB      LEU   8 -14.629   3.868   2.945
   72    HB3  LEU   8           1HB      LEU   8 -14.975   4.399   4.582
   73    HG   LEU   8           HG       LEU   8 -12.185   3.911   3.574
   74   HD11  LEU   8          1HD1      LEU   8 -13.739   6.490   3.652
   75   HD12  LEU   8          2HD1      LEU   8 -13.129   5.664   2.217
   76   HD13  LEU   8          3HD1      LEU   8 -12.002   6.368   3.376
   77   HD21  LEU   8          3HD2      LEU   8 -13.214   5.449   5.954
   78   HD22  LEU   8          1HD2      LEU   8 -11.521   5.248   5.502
   79   HD23  LEU   8          2HD2      LEU   8 -12.471   3.851   6.006
   80    H    THR   9           H        THR   9 -15.341   0.550   2.994
   81    HA   THR   9           HA       THR   9 -18.104   0.962   3.947
   82    HB   THR   9           HB       THR   9 -18.850  -0.277   1.969
   83    HG1  THR   9           1HG      THR   9 -17.485  -1.304   0.666
   84   HG21  THR   9          3HG2      THR   9 -17.691   1.105   0.124
   85   HG22  THR   9          1HG2      THR   9 -16.910   1.947   1.464
   86   HG23  THR   9          2HG2      THR   9 -18.672   1.943   1.326
   87    H    GLY  10           H        GLY  10 -15.555  -1.266   4.520
   88    HA2  GLY  10           2HA      GLY  10 -15.947  -2.796   6.355
   89    HA3  GLY  10           1HA      GLY  10 -17.507  -3.178   5.664
   90    H    LYS  11           H        LYS  11 -14.906  -2.938   3.402
   91    HA   LYS  11           HA       LYS  11 -15.012  -5.841   3.098
   92    HB2  LYS  11           2HB      LYS  11 -15.496  -4.232   1.176
   93    HB3  LYS  11           1HB      LYS  11 -13.761  -3.979   1.087
   94    HG2  LYS  11           2HG      LYS  11 -13.415  -6.331   0.618
   95    HG3  LYS  11           1HG      LYS  11 -15.138  -6.647   0.817
   96    HD2  LYS  11           2HD      LYS  11 -15.563  -5.038  -1.054
   97    HD3  LYS  11           1HD      LYS  11 -13.820  -4.975  -1.315
   98    HE2  LYS  11           2HE      LYS  11 -13.769  -7.347  -1.789
   99    HE3  LYS  11           1HE      LYS  11 -15.487  -7.489  -1.405
  100    HZ1  LYS  11           3HZ      LYS  11 -16.039  -6.180  -3.298
  101    HZ2  LYS  11           1HZ      LYS  11 -14.973  -7.387  -3.818
  102    HZ3  LYS  11           2HZ      LYS  11 -14.418  -5.803  -3.602
  103    H    THR  12           H        THR  12 -13.237  -7.212   3.222
  104    HA   THR  12           HA       THR  12 -10.603  -5.978   3.800
  105    HB   THR  12           HB       THR  12 -11.552  -8.725   4.683
  106    HG1  THR  12           1HG      THR  12 -12.250  -7.867   6.495
  107   HG21  THR  12          3HG2      THR  12  -9.725  -8.390   6.419
  108   HG22  THR  12          1HG2      THR  12  -9.144  -7.074   5.399
  109   HG23  THR  12          2HG2      THR  12  -9.197  -8.721   4.769
  110    H    ILE  13           H        ILE  13  -9.096  -6.348   2.260
  111    HA   ILE  13           HA       ILE  13  -9.494  -8.567   0.339
  112    HB   ILE  13           HB       ILE  13  -7.588  -6.267  -0.197
  113   HG12  ILE  13          2HG1      ILE  13 -10.467  -6.220  -1.142
  114   HG13  ILE  13          1HG1      ILE  13  -9.920  -5.332   0.268
  115   HG21  ILE  13          1HG2      ILE  13  -9.125  -8.134  -2.003
  116   HG22  ILE  13          2HG2      ILE  13  -7.414  -8.239  -1.595
  117   HG23  ILE  13          3HG2      ILE  13  -8.015  -6.876  -2.539
  118   HD11  ILE  13          3HD1      ILE  13 -10.053  -3.937  -1.737
  119   HD12  ILE  13          1HD1      ILE  13  -8.846  -4.966  -2.509
  120   HD13  ILE  13          2HD1      ILE  13  -8.419  -4.023  -1.079
  121    H    THR  14           H        THR  14  -7.839 -10.077   0.044
  122    HA   THR  14           HA       THR  14  -5.551  -9.889   1.892
  123    HB   THR  14           HB       THR  14  -6.473 -12.369   0.426
  124    HG1  THR  14           1HG      THR  14  -7.333 -11.468   2.987
  125   HG21  THR  14          3HG2      THR  14  -5.485 -13.447   2.514
  126   HG22  THR  14          1HG2      THR  14  -4.727 -11.882   2.814
  127   HG23  THR  14          2HG2      THR  14  -4.361 -12.770   1.336
  128    H    LEU  15           H        LEU  15  -3.525  -9.661   1.081
  129    HA   LEU  15           HA       LEU  15  -3.161 -10.049  -1.836
  130    HB2  LEU  15           2HB      LEU  15  -1.932  -7.864  -0.150
  131    HB3  LEU  15           1HB      LEU  15  -1.656  -8.114  -1.862
  132    HG   LEU  15           HG       LEU  15  -4.369  -7.467  -0.704
  133   HD11  LEU  15          1HD1      LEU  15  -2.287  -5.624  -1.867
  134   HD12  LEU  15          2HD1      LEU  15  -2.939  -5.600  -0.227
  135   HD13  LEU  15          3HD1      LEU  15  -3.973  -5.185  -1.592
  136   HD21  LEU  15          3HD2      LEU  15  -4.311  -8.597  -2.910
  137   HD22  LEU  15          1HD2      LEU  15  -3.334  -7.266  -3.531
  138   HD23  LEU  15          2HD2      LEU  15  -4.982  -6.967  -2.978
  139    H    GLU  16           H        GLU  16  -1.206 -10.891  -2.531
  140    HA   GLU  16           HA       GLU  16   0.556 -12.043  -0.459
  141    HB2  GLU  16           2HB      GLU  16  -0.440 -13.512  -2.318
  142    HB3  GLU  16           1HB      GLU  16   0.612 -12.654  -3.432
  143    HG2  GLU  16           2HG      GLU  16   1.695 -14.029  -0.998
  144    HG3  GLU  16           1HG      GLU  16   1.393 -14.909  -2.498
  145    H    VAL  17           H        VAL  17   2.426 -10.927  -0.067
  146    HA   VAL  17           HA       VAL  17   3.613  -9.268  -2.206
  147    HB   VAL  17           HB       VAL  17   3.988  -7.442  -0.553
  148   HG11  VAL  17          1HG1      VAL  17   2.205  -7.225  -2.144
  149   HG12  VAL  17          2HG1      VAL  17   1.645  -6.612  -0.588
  150   HG13  VAL  17          3HG1      VAL  17   1.133  -8.204  -1.143
  151   HG21  VAL  17          3HG2      VAL  17   2.533  -7.379   1.486
  152   HG22  VAL  17          1HG2      VAL  17   3.789  -8.616   1.555
  153   HG23  VAL  17          2HG2      VAL  17   2.124  -9.070   1.193
  154    H    GLU  18           H        GLU  18   5.824  -8.457  -1.589
  155    HA   GLU  18           HA       GLU  18   7.298 -10.312   0.189
  156    HB2  GLU  18           2HB      GLU  18   8.196  -8.950  -2.378
  157    HB3  GLU  18           1HB      GLU  18   9.286  -9.789  -1.282
  158    HG2  GLU  18           2HG      GLU  18   6.923 -11.127  -2.572
  159    HG3  GLU  18           1HG      GLU  18   8.520 -11.076  -3.314
  160    HA   PRO  19           HA       PRO  19   8.186  -6.686   2.611
  161    HB2  PRO  19           2HB      PRO  19  11.007  -7.526   2.981
  162    HB3  PRO  19           1HB      PRO  19   9.743  -7.192   4.168
  163    HG2  PRO  19           2HG      PRO  19  10.505  -9.708   3.614
  164    HG3  PRO  19           1HG      PRO  19   8.825  -9.298   3.990
  165    HD2  PRO  19           2HD      PRO  19  10.069  -9.842   1.302
  166    HD3  PRO  19           1HD      PRO  19   8.483 -10.340   1.943
  167    H    SER  20           H        SER  20  10.415  -7.393  -0.044
  168    HA   SER  20           HA       SER  20  11.558  -4.730  -0.092
  169    HB2  SER  20           2HB      SER  20  12.620  -5.575  -2.232
  170    HB3  SER  20           1HB      SER  20  13.014  -6.472  -0.769
  171    HG   SER  20           HG       SER  20  12.262  -7.594  -2.862
  172    H    ASP  21           H        ASP  21   8.481  -5.742  -1.028
  173    HA   ASP  21           HA       ASP  21   8.278  -4.515  -3.609
  174    HB2  ASP  21           2HB      ASP  21   6.251  -5.505  -1.608
  175    HB3  ASP  21           1HB      ASP  21   5.738  -4.599  -3.019
  176    H    THR  22           H        THR  22   7.500  -2.462  -4.108
  177    HA   THR  22           HA       THR  22   7.711  -0.417  -2.048
  178    HB   THR  22           HB       THR  22   7.510   1.179  -3.879
  179    HG1  THR  22           1HG      THR  22   6.961   0.603  -5.865
  180   HG21  THR  22          3HG2      THR  22   9.739   0.433  -3.546
  181   HG22  THR  22          1HG2      THR  22   9.448   0.515  -5.282
  182   HG23  THR  22          2HG2      THR  22   9.443  -1.047  -4.461
  183    H    ILE  23           H        ILE  23   6.064   1.241  -1.732
  184    HA   ILE  23           HA       ILE  23   3.421   0.254  -1.329
  185    HB   ILE  23           HB       ILE  23   4.476   3.080  -1.411
  186   HG12  ILE  23          2HG1      ILE  23   5.495   1.706   0.305
  187   HG13  ILE  23          1HG1      ILE  23   4.475   2.927   1.041
  188   HG21  ILE  23          1HG2      ILE  23   2.488   3.807  -0.197
  189   HG22  ILE  23          2HG2      ILE  23   1.808   2.186  -0.329
  190   HG23  ILE  23          3HG2      ILE  23   2.062   3.156  -1.779
  191   HD11  ILE  23          3HD1      ILE  23   4.196   0.879   2.234
  192   HD12  ILE  23          1HD1      ILE  23   3.848  -0.003   0.747
  193   HD13  ILE  23          2HD1      ILE  23   2.709   1.205   1.344
  194    H    GLU  24           H        GLU  24   4.780   2.199  -4.031
  195    HA   GLU  24           HA       GLU  24   2.387   2.627  -5.515
  196    HB2  GLU  24           2HB      GLU  24   4.669   3.643  -6.005
  197    HB3  GLU  24           1HB      GLU  24   5.133   2.094  -6.693
  198    HG2  GLU  24           2HG      GLU  24   3.479   2.313  -8.426
  199    HG3  GLU  24           1HG      GLU  24   2.833   3.775  -7.677
  200    H    ASN  25           H        ASN  25   4.548  -0.210  -5.345
  201    HA   ASN  25           HA       ASN  25   3.203  -1.700  -7.426
  202    HB2  ASN  25           2HB      ASN  25   5.586  -2.120  -6.465
  203    HB3  ASN  25           1HB      ASN  25   4.756  -2.974  -5.169
  204   HD21  ASN  25          1HD2      ASN  25   6.457  -3.593  -7.815
  205   HD22  ASN  25          2HD2      ASN  25   5.638  -4.995  -8.407
  206    H    VAL  26           H        VAL  26   2.789  -1.546  -3.894
  207    HA   VAL  26           HA       VAL  26   0.778  -3.597  -3.723
  208    HB   VAL  26           HB       VAL  26   1.289  -1.213  -1.891
  209   HG11  VAL  26          1HG1      VAL  26   0.034  -2.473  -0.174
  210   HG12  VAL  26          2HG1      VAL  26  -0.396  -3.675  -1.390
  211   HG13  VAL  26          3HG1      VAL  26  -0.986  -2.020  -1.540
  212   HG21  VAL  26          3HG2      VAL  26   3.134  -2.901  -2.170
  213   HG22  VAL  26          1HG2      VAL  26   2.052  -4.081  -1.425
  214   HG23  VAL  26          2HG2      VAL  26   2.553  -2.650  -0.525
  215    H    LYS  27           H        LYS  27   0.532  -0.056  -4.304
  216    HA   LYS  27           HA       LYS  27  -2.299   0.062  -4.390
  217    HB2  LYS  27           2HB      LYS  27  -0.285   1.737  -5.924
  218    HB3  LYS  27           1HB      LYS  27  -1.995   2.099  -5.797
  219    HG2  LYS  27           2HG      LYS  27  -1.311   2.053  -3.149
  220    HG3  LYS  27           1HG      LYS  27   0.208   2.631  -3.894
  221    HD2  LYS  27           2HD      LYS  27  -1.284   4.278  -5.145
  222    HD3  LYS  27           1HD      LYS  27  -2.510   3.864  -3.947
  223    HE2  LYS  27           2HE      LYS  27   0.266   4.761  -3.193
  224    HE3  LYS  27           1HE      LYS  27  -1.056   5.894  -3.456
  225    HZ1  LYS  27           3HZ      LYS  27  -1.024   3.701  -1.454
  226    HZ2  LYS  27           1HZ      LYS  27  -2.311   4.766  -1.717
  227    HZ3  LYS  27           2HZ      LYS  27  -0.839   5.350  -1.122
  228    H    ALA  28           H        ALA  28   0.101  -0.698  -6.930
  229    HA   ALA  28           HA       ALA  28  -1.695  -0.766  -9.118
  230    HB1  ALA  28           1HB      ALA  28   0.671  -0.695  -9.541
  231    HB2  ALA  28           2HB      ALA  28   0.008  -2.158 -10.272
  232    HB3  ALA  28           3HB      ALA  28   0.903  -2.258  -8.755
  233    H    LYS  29           H        LYS  29  -0.767  -3.274  -6.772
  234    HA   LYS  29           HA       LYS  29  -2.222  -5.479  -7.958
  235    HB2  LYS  29           2HB      LYS  29  -1.302  -4.982  -5.114
  236    HB3  LYS  29           1HB      LYS  29  -2.057  -6.475  -5.657
  237    HG2  LYS  29           2HG      LYS  29  -0.234  -7.010  -7.053
  238    HG3  LYS  29           1HG      LYS  29   0.454  -5.391  -6.901
  239    HD2  LYS  29           2HD      LYS  29   1.053  -5.776  -4.626
  240    HD3  LYS  29           1HD      LYS  29   0.122  -7.273  -4.571
  241    HE2  LYS  29           2HE      LYS  29   2.439  -6.913  -6.456
  242    HE3  LYS  29           1HE      LYS  29   2.662  -7.462  -4.796
  243    HZ1  LYS  29           3HZ      LYS  29   0.870  -8.794  -6.749
  244    HZ2  LYS  29           1HZ      LYS  29   1.308  -9.360  -5.215
  245    HZ3  LYS  29           2HZ      LYS  29   2.462  -9.275  -6.447
  246    H    ILE  30           H        ILE  30  -3.127  -2.953  -5.604
  247    HA   ILE  30           HA       ILE  30  -5.764  -4.022  -5.103
  248    HB   ILE  30           HB       ILE  30  -4.603  -1.261  -4.628
  249   HG12  ILE  30          2HG1      ILE  30  -5.359  -3.528  -2.772
  250   HG13  ILE  30          1HG1      ILE  30  -3.726  -3.144  -3.289
  251   HG21  ILE  30          1HG2      ILE  30  -7.383  -2.281  -4.001
  252   HG22  ILE  30          2HG2      ILE  30  -6.941  -0.827  -4.894
  253   HG23  ILE  30          3HG2      ILE  30  -6.660  -0.912  -3.156
  254   HD11  ILE  30          3HD1      ILE  30  -4.391  -0.798  -2.190
  255   HD12  ILE  30          1HD1      ILE  30  -3.691  -2.134  -1.276
  256   HD13  ILE  30          2HD1      ILE  30  -5.436  -1.871  -1.251
  257    H    GLN  31           H        GLN  31  -4.487  -1.663  -7.493
  258    HA   GLN  31           HA       GLN  31  -6.958  -0.884  -8.704
  259    HB2  GLN  31           2HB      GLN  31  -4.770   0.227  -9.170
  260    HB3  GLN  31           1HB      GLN  31  -4.207  -1.237  -9.963
  261    HG2  GLN  31           2HG      GLN  31  -6.225  -0.833 -11.564
  262    HG3  GLN  31           1HG      GLN  31  -6.203   0.799 -10.903
  263   HE21  GLN  31          1HE2      GLN  31  -5.560   1.842 -12.802
  264   HE22  GLN  31          2HE2      GLN  31  -3.997   1.608 -13.501
  265    H    ASP  32           H        ASP  32  -4.780  -3.626  -9.357
  266    HA   ASP  32           HA       ASP  32  -6.193  -4.720 -11.577
  267    HB2  ASP  32           2HB      ASP  32  -4.554  -6.271  -9.557
  268    HB3  ASP  32           1HB      ASP  32  -4.952  -6.786 -11.199
  269    H    LYS  33           H        LYS  33  -6.535  -5.393  -8.085
  270    HA   LYS  33           HA       LYS  33  -8.545  -7.429  -8.501
  271    HB2  LYS  33           2HB      LYS  33  -7.818  -5.997  -5.941
  272    HB3  LYS  33           1HB      LYS  33  -8.674  -7.517  -6.059
  273    HG2  LYS  33           2HG      LYS  33  -6.201  -7.905  -7.396
  274    HG3  LYS  33           1HG      LYS  33  -5.837  -7.018  -5.919
  275    HD2  LYS  33           2HD      LYS  33  -6.861  -8.722  -4.572
  276    HD3  LYS  33           1HD      LYS  33  -7.462  -9.556  -6.005
  277    HE2  LYS  33           2HE      LYS  33  -5.073  -9.852  -6.712
  278    HE3  LYS  33           1HE      LYS  33  -4.597  -9.230  -5.129
  279    HZ1  LYS  33           3HZ      LYS  33  -6.344 -11.598  -5.525
  280    HZ2  LYS  33           1HZ      LYS  33  -5.667 -11.063  -4.068
  281    HZ3  LYS  33           2HZ      LYS  33  -4.674 -11.693  -5.286
  282    H    GLU  34           H        GLU  34  -8.706  -4.033  -7.389
  283    HA   GLU  34           HA       GLU  34 -11.658  -4.251  -7.372
  284    HB2  GLU  34           2HB      GLU  34  -9.778  -2.554  -5.760
  285    HB3  GLU  34           1HB      GLU  34 -11.529  -2.341  -5.750
  286    HG2  GLU  34           2HG      GLU  34 -10.271  -4.992  -5.218
  287    HG3  GLU  34           1HG      GLU  34 -10.425  -3.791  -3.907
  288    H    GLY  35           H        GLY  35  -9.287  -2.729  -9.292
  289    HA2  GLY  35           2HA      GLY  35  -9.591  -1.326 -11.057
  290    HA3  GLY  35           1HA      GLY  35 -11.292  -1.238 -10.659
  291    H    ILE  36           H        ILE  36  -9.261  -0.272  -8.054
  292    HA   ILE  36           HA       ILE  36 -10.079   2.510  -8.339
  293    HB   ILE  36           HB       ILE  36  -8.338   1.310  -6.156
  294   HG12  ILE  36          2HG1      ILE  36 -11.294   1.747  -5.736
  295   HG13  ILE  36          1HG1      ILE  36 -10.754   0.266  -6.513
  296   HG21  ILE  36          1HG2      ILE  36  -8.968   3.197  -4.820
  297   HG22  ILE  36          2HG2      ILE  36 -10.143   3.728  -6.021
  298   HG23  ILE  36          3HG2      ILE  36  -8.418   3.813  -6.379
  299   HD11  ILE  36          3HD1      ILE  36 -11.114   0.164  -4.028
  300   HD12  ILE  36          1HD1      ILE  36  -9.676   1.173  -3.868
  301   HD13  ILE  36          2HD1      ILE  36  -9.556  -0.419  -4.615
  302    HA   PRO  37           HA       PRO  37  -6.076   3.355 -10.374
  303    HB2  PRO  37           2HB      PRO  37  -6.737   6.243 -10.074
  304    HB3  PRO  37           1HB      PRO  37  -6.429   5.313 -11.547
  305    HG2  PRO  37           2HG      PRO  37  -8.890   6.164 -10.913
  306    HG3  PRO  37           1HG      PRO  37  -8.620   4.600 -11.711
  307    HD2  PRO  37           2HD      PRO  37  -9.157   5.177  -8.809
  308    HD3  PRO  37           1HD      PRO  37  -9.851   3.923  -9.857
  309    HA   PRO  38           HA       PRO  38  -3.493   3.998  -6.812
  310    HB2  PRO  38           2HB      PRO  38  -1.419   5.169  -8.656
  311    HB3  PRO  38           1HB      PRO  38  -1.271   3.811  -7.533
  312    HG2  PRO  38           2HG      PRO  38  -1.436   3.393 -10.147
  313    HG3  PRO  38           1HG      PRO  38  -2.263   2.323  -9.004
  314    HD2  PRO  38           2HD      PRO  38  -3.391   4.519 -10.699
  315    HD3  PRO  38           1HD      PRO  38  -4.052   2.906 -10.354
  316    H    ASP  39           H        ASP  39  -3.796   6.772  -9.033
  317    HA   ASP  39           HA       ASP  39  -2.766   8.644  -7.178
  318    HB2  ASP  39           2HB      ASP  39  -4.427   9.016  -9.670
  319    HB3  ASP  39           1HB      ASP  39  -3.930  10.375  -8.626
  320    H    GLN  40           H        GLN  40  -5.867   7.086  -7.214
  321    HA   GLN  40           HA       GLN  40  -7.102   9.186  -5.574
  322    HB2  GLN  40           2HB      GLN  40  -8.273   6.745  -6.911
  323    HB3  GLN  40           1HB      GLN  40  -9.179   7.835  -5.876
  324    HG2  GLN  40           2HG      GLN  40  -8.420   9.673  -7.496
  325    HG3  GLN  40           1HG      GLN  40  -7.981   8.343  -8.565
  326   HE21  GLN  40          1HE2      GLN  40 -10.385  10.508  -7.905
  327   HE22  GLN  40          2HE2      GLN  40 -11.731   9.621  -8.528
  328    H    GLN  41           H        GLN  41  -5.224   6.452  -5.033
  329    HA   GLN  41           HA       GLN  41  -6.706   5.488  -2.672
  330    HB2  GLN  41           2HB      GLN  41  -4.498   4.375  -4.373
  331    HB3  GLN  41           1HB      GLN  41  -4.870   3.677  -2.801
  332    HG2  GLN  41           2HG      GLN  41  -7.238   3.412  -3.619
  333    HG3  GLN  41           1HG      GLN  41  -6.643   3.850  -5.221
  334   HE21  GLN  41          1HE2      GLN  41  -6.093   2.173  -6.500
  335   HE22  GLN  41          2HE2      GLN  41  -5.613   0.612  -5.934
  336    H    ARG  42           H        ARG  42  -6.020   5.748  -0.598
  337    HA   ARG  42           HA       ARG  42  -3.290   6.713  -0.122
  338    HB2  ARG  42           2HB      ARG  42  -5.789   7.477   1.429
  339    HB3  ARG  42           1HB      ARG  42  -4.154   7.914   1.900
  340    HG2  ARG  42           2HG      ARG  42  -3.946   9.179  -0.229
  341    HG3  ARG  42           1HG      ARG  42  -5.648   8.831  -0.544
  342    HD2  ARG  42           2HD      ARG  42  -6.345  10.077   1.350
  343    HD3  ARG  42           1HD      ARG  42  -4.704  10.176   1.977
  344    HE   ARG  42           HE       ARG  42  -5.120  11.443  -0.598
  345   HH11  ARG  42          1HH1      ARG  42  -5.070  12.016   2.910
  346   HH12  ARG  42          2HH1      ARG  42  -4.789  13.711   2.719
  347   HH21  ARG  42          1HH2      ARG  42  -4.757  13.663  -0.764
  348   HH22  ARG  42          2HH2      ARG  42  -4.610  14.635   0.660
  349    H    LEU  43           H        LEU  43  -2.126   5.357   1.214
  350    HA   LEU  43           HA       LEU  43  -3.629   3.223   2.609
  351    HB2  LEU  43           2HB      LEU  43  -0.797   3.265   1.536
  352    HB3  LEU  43           1HB      LEU  43  -1.519   1.965   2.475
  353    HG   LEU  43           HG       LEU  43  -2.574   2.863  -0.213
  354   HD11  LEU  43          1HD1      LEU  43  -0.775   0.528   0.427
  355   HD12  LEU  43          2HD1      LEU  43  -0.293   1.994  -0.428
  356   HD13  LEU  43          3HD1      LEU  43  -1.478   0.904  -1.146
  357   HD21  LEU  43          3HD2      LEU  43  -4.251   1.737   1.100
  358   HD22  LEU  43          1HD2      LEU  43  -3.124   0.444   1.511
  359   HD23  LEU  43          2HD2      LEU  43  -3.680   0.634  -0.150
  360    H    ILE  44           H        ILE  44  -3.517   3.037   4.756
  361    HA   ILE  44           HA       ILE  44  -1.520   4.616   6.265
  362    HB   ILE  44           HB       ILE  44  -4.498   4.352   6.652
  363   HG12  ILE  44          2HG1      ILE  44  -3.838   6.938   7.229
  364   HG13  ILE  44          1HG1      ILE  44  -2.554   6.561   6.101
  365   HG21  ILE  44          1HG2      ILE  44  -4.226   5.508   8.871
  366   HG22  ILE  44          2HG2      ILE  44  -2.511   5.101   8.805
  367   HG23  ILE  44          3HG2      ILE  44  -3.722   3.819   8.850
  368   HD11  ILE  44          3HD1      ILE  44  -4.723   5.635   4.741
  369   HD12  ILE  44          1HD1      ILE  44  -3.988   7.230   4.561
  370   HD13  ILE  44          2HD1      ILE  44  -5.390   7.017   5.613
  371    H    PHE  45           H        PHE  45  -0.453   3.610   7.862
  372    HA   PHE  45           HA       PHE  45  -1.402   1.015   8.872
  373    HB2  PHE  45           2HB      PHE  45   0.322   0.554   7.143
  374    HB3  PHE  45           1HB      PHE  45   1.458   1.581   8.008
  375    HD1  PHE  45           1HD      PHE  45  -0.763  -1.356   8.653
  376    HD2  PHE  45           2HD      PHE  45   2.999   0.503   9.394
  377    HE1  PHE  45           1HE      PHE  45  -0.061  -3.298   9.985
  378    HE2  PHE  45           2HE      PHE  45   3.702  -1.446  10.723
  379    HZ   PHE  45           HZ       PHE  45   2.169  -3.344  11.022
  380    H    ALA  46           H        ALA  46  -1.451   1.092  11.119
  381    HA   ALA  46           HA       ALA  46  -1.264   1.949  13.236
  382    HB1  ALA  46           1HB      ALA  46   1.169   2.318  13.926
  383    HB2  ALA  46           2HB      ALA  46   1.577   1.880  12.267
  384    HB3  ALA  46           3HB      ALA  46   0.733   0.728  13.300
  385    H    GLY  47           H        GLY  47  -2.303   3.883  11.622
  386    HA2  GLY  47           2HA      GLY  47  -2.860   6.095  11.741
  387    HA3  GLY  47           1HA      GLY  47  -1.702   6.273  13.038
  388    H    LYS  48           H        LYS  48   0.010   5.093  10.364
  389    HA   LYS  48           HA       LYS  48   0.824   7.828   9.580
  390    HB2  LYS  48           2HB      LYS  48   2.472   5.333   9.216
  391    HB3  LYS  48           1HB      LYS  48   3.021   6.987   9.096
  392    HG2  LYS  48           2HG      LYS  48   2.724   7.289  11.502
  393    HG3  LYS  48           1HG      LYS  48   2.127   5.638  11.642
  394    HD2  LYS  48           2HD      LYS  48   4.840   6.260  10.502
  395    HD3  LYS  48           1HD      LYS  48   4.582   6.061  12.233
  396    HE2  LYS  48           2HE      LYS  48   3.784   3.991  10.202
  397    HE3  LYS  48           1HE      LYS  48   5.356   4.006  10.998
  398    HZ1  LYS  48           3HZ      LYS  48   2.704   3.703  12.289
  399    HZ2  LYS  48           1HZ      LYS  48   4.145   3.927  13.147
  400    HZ3  LYS  48           2HZ      LYS  48   3.934   2.543  12.194
  401    H    GLN  49           H        GLN  49   0.851   8.489   7.462
  402    HA   GLN  49           HA       GLN  49  -0.470   6.799   5.495
  403    HB2  GLN  49           2HB      GLN  49  -0.624   9.400   5.804
  404    HB3  GLN  49           1HB      GLN  49   0.833   9.440   4.823
  405    HG2  GLN  49           2HG      GLN  49  -0.269   8.466   2.974
  406    HG3  GLN  49           1HG      GLN  49  -1.673   8.032   3.950
  407   HE21  GLN  49          1HE2      GLN  49  -0.066  10.576   2.180
  408   HE22  GLN  49          2HE2      GLN  49  -1.350  11.724   2.298
  409    H    LEU  50           H        LEU  50   0.609   5.509   4.002
  410    HA   LEU  50           HA       LEU  50   3.508   5.356   4.128
  411    HB2  LEU  50           2HB      LEU  50   1.680   3.703   2.389
  412    HB3  LEU  50           1HB      LEU  50   3.329   3.347   2.853
  413    HG   LEU  50           HG       LEU  50   0.979   3.437   4.747
  414   HD11  LEU  50          1HD1      LEU  50   0.755   1.592   3.192
  415   HD12  LEU  50          2HD1      LEU  50   1.166   0.991   4.797
  416   HD13  LEU  50          3HD1      LEU  50   2.403   1.068   3.542
  417   HD21  LEU  50          3HD2      LEU  50   3.705   2.266   5.270
  418   HD22  LEU  50          1HD2      LEU  50   2.417   2.589   6.428
  419   HD23  LEU  50          2HD2      LEU  50   3.288   3.929   5.684
  420    H    GLU  51           H        GLU  51   4.969   5.978   2.561
  421    HA   GLU  51           HA       GLU  51   3.954   7.573   0.324
  422    HB2  GLU  51           2HB      GLU  51   6.735   7.176   1.450
  423    HB3  GLU  51           1HB      GLU  51   6.410   8.126   0.005
  424    HG2  GLU  51           2HG      GLU  51   5.307   9.786   1.160
  425    HG3  GLU  51           1HG      GLU  51   4.999   8.766   2.565
  426    H    ASP  52           H        ASP  52   4.313   7.229  -1.852
  427    HA   ASP  52           HA       ASP  52   4.345   4.565  -2.733
  428    HB2  ASP  52           2HB      ASP  52   4.654   7.132  -4.288
  429    HB3  ASP  52           1HB      ASP  52   4.487   5.542  -5.031
  430    H    GLY  53           H        GLY  53   7.065   6.781  -2.377
  431    HA2  GLY  53           2HA      GLY  53   8.824   5.124  -3.999
  432    HA3  GLY  53           1HA      GLY  53   9.273   6.562  -3.112
  433    H    ARG  54           H        ARG  54   7.687   4.624  -0.873
  434    HA   ARG  54           HA       ARG  54  10.248   3.481   0.086
  435    HB2  ARG  54           2HB      ARG  54   7.689   4.072   1.599
  436    HB3  ARG  54           1HB      ARG  54   9.123   3.352   2.297
  437    HG2  ARG  54           2HG      ARG  54   8.803   6.170   1.280
  438    HG3  ARG  54           1HG      ARG  54   9.029   5.633   2.931
  439    HD2  ARG  54           2HD      ARG  54  11.284   4.870   2.419
  440    HD3  ARG  54           1HD      ARG  54  11.081   5.345   0.733
  441    HE   ARG  54           HE       ARG  54  11.485   7.516   1.321
  442   HH11  ARG  54          1HH1      ARG  54  10.853   5.757   4.343
  443   HH12  ARG  54          2HH1      ARG  54  11.306   7.103   5.331
  444   HH21  ARG  54          1HH2      ARG  54  12.060   9.231   2.672
  445   HH22  ARG  54          2HH2      ARG  54  11.982   9.054   4.394
  446    H    THR  55           H        THR  55  10.072   1.393   1.309
  447    HA   THR  55           HA       THR  55   8.295  -0.510  -0.119
  448    HB   THR  55           HB       THR  55   9.854  -2.259   0.474
  449    HG1  THR  55           1HG      THR  55  11.451  -1.999   1.859
  450   HG21  THR  55          3HG2      THR  55  11.295   0.102  -0.695
  451   HG22  THR  55          1HG2      THR  55  10.437  -1.168  -1.567
  452   HG23  THR  55          2HG2      THR  55  11.915  -1.549  -0.682
  453    H    LEU  56           H        LEU  56   7.608  -2.440   1.098
  454    HA   LEU  56           HA       LEU  56   6.115  -1.837   3.418
  455    HB2  LEU  56           2HB      LEU  56   7.016  -4.532   2.408
  456    HB3  LEU  56           1HB      LEU  56   5.788  -4.277   3.640
  457    HG   LEU  56           HG       LEU  56   5.576  -3.366   0.764
  458   HD11  LEU  56          1HD1      LEU  56   4.385  -5.736   2.188
  459   HD12  LEU  56          2HD1      LEU  56   5.540  -5.761   0.856
  460   HD13  LEU  56          3HD1      LEU  56   3.899  -5.178   0.584
  461   HD21  LEU  56          3HD2      LEU  56   3.677  -3.252   3.103
  462   HD22  LEU  56          1HD2      LEU  56   3.126  -3.134   1.430
  463   HD23  LEU  56          2HD2      LEU  56   4.229  -1.924   2.082
  464    H    SER  57           H        SER  57   9.357  -3.279   3.185
  465    HA   SER  57           HA       SER  57   9.576  -4.023   5.933
  466    HB2  SER  57           2HB      SER  57  11.065  -5.105   4.370
  467    HB3  SER  57           1HB      SER  57  11.721  -3.549   3.858
  468    HG   SER  57           HG       SER  57  13.070  -4.710   5.354
  469    H    ASP  58           H        ASP  58  10.213  -0.990   4.209
  470    HA   ASP  58           HA       ASP  58  11.750   0.310   6.198
  471    HB2  ASP  58           2HB      ASP  58   9.863   1.504   4.150
  472    HB3  ASP  58           1HB      ASP  58  10.960   2.446   5.144
  473    H    TYR  59           H        TYR  59   8.274  -0.229   6.009
  474    HA   TYR  59           HA       TYR  59   7.791   1.475   8.362
  475    HB2  TYR  59           2HB      TYR  59   5.923   0.132   6.387
  476    HB3  TYR  59           1HB      TYR  59   5.350   0.915   7.856
  477    HD1  TYR  59           1HD      TYR  59   5.591   3.361   8.138
  478    HD2  TYR  59           2HD      TYR  59   6.608   1.429   4.484
  479    HE1  TYR  59           1HE      TYR  59   5.541   5.528   6.979
  480    HE2  TYR  59           2HE      TYR  59   6.557   3.592   3.315
  481    HH   TYR  59           HH       TYR  59   6.908   6.146   4.165
  482    H    ASN  60           H        ASN  60   8.933  -1.545   8.117
  483    HA   ASN  60           HA       ASN  60   8.920  -3.441   9.305
  484    HB2  ASN  60           2HB      ASN  60   7.836  -1.568  11.421
  485    HB3  ASN  60           1HB      ASN  60   8.354  -3.218  11.755
  486   HD21  ASN  60          1HD2      ASN  60   9.390   0.033  10.996
  487   HD22  ASN  60          2HD2      ASN  60  11.078  -0.246  11.249
  488    H    ILE  61           H        ILE  61   6.736  -3.255   7.556
  489    HA   ILE  61           HA       ILE  61   4.380  -4.241   8.967
  490    HB   ILE  61           HB       ILE  61   4.895  -3.972   5.980
  491   HG12  ILE  61          2HG1      ILE  61   3.112  -2.291   7.750
  492   HG13  ILE  61          1HG1      ILE  61   4.767  -1.844   7.373
  493   HG21  ILE  61          1HG2      ILE  61   2.348  -4.654   7.464
  494   HG22  ILE  61          2HG2      ILE  61   3.222  -5.688   6.336
  495   HG23  ILE  61          3HG2      ILE  61   2.418  -4.231   5.754
  496   HD11  ILE  61          3HD1      ILE  61   3.108  -0.680   5.982
  497   HD12  ILE  61          1HD1      ILE  61   2.599  -2.235   5.326
  498   HD13  ILE  61          2HD1      ILE  61   4.237  -1.646   5.036
  499    H    GLN  62           H        GLN  62   4.068  -6.319   9.477
  500    HA   GLN  62           HA       GLN  62   5.811  -8.420   8.323
  501    HB2  GLN  62           2HB      GLN  62   4.482  -8.146  11.028
  502    HB3  GLN  62           1HB      GLN  62   5.369  -9.566  10.503
  503    HG2  GLN  62           2HG      GLN  62   6.540  -6.804  10.760
  504    HG3  GLN  62           1HG      GLN  62   6.678  -8.079  11.970
  505   HE21  GLN  62          1HE2      GLN  62   8.598  -6.569  10.003
  506   HE22  GLN  62          2HE2      GLN  62   9.551  -7.863   9.373
  507    H    LYS  63           H        LYS  63   4.816 -10.698   8.558
  508    HA   LYS  63           HA       LYS  63   2.635 -10.973   6.900
  509    HB2  LYS  63           2HB      LYS  63   2.393 -13.308   7.685
  510    HB3  LYS  63           1HB      LYS  63   4.049 -12.883   7.267
  511    HG2  LYS  63           2HG      LYS  63   4.525 -12.549   9.673
  512    HG3  LYS  63           1HG      LYS  63   2.900 -13.130  10.037
  513    HD2  LYS  63           2HD      LYS  63   3.433 -15.260   8.921
  514    HD3  LYS  63           1HD      LYS  63   5.067 -14.675   8.613
  515    HE2  LYS  63           2HE      LYS  63   5.465 -14.491  11.009
  516    HE3  LYS  63           1HE      LYS  63   3.819 -15.036  11.332
  517    HZ1  LYS  63           3HZ      LYS  63   5.285 -16.876  11.582
  518    HZ2  LYS  63           1HZ      LYS  63   6.006 -16.600  10.076
  519    HZ3  LYS  63           2HZ      LYS  63   4.400 -17.128  10.163
  520    H    GLU  64           H        GLU  64   0.422 -11.255   7.064
  521    HA   GLU  64           HA       GLU  64  -1.687 -11.063   7.841
  522    HB2  GLU  64           2HB      GLU  64  -0.564 -11.919  10.505
  523    HB3  GLU  64           1HB      GLU  64  -2.276 -11.790  10.113
  524    HG2  GLU  64           2HG      GLU  64  -1.721 -13.448   8.210
  525    HG3  GLU  64           1HG      GLU  64  -0.258 -13.781   9.138
  526    H    SER  65           H        SER  65   0.267  -8.664   8.192
  527    HA   SER  65           HA       SER  65  -0.999  -7.090  10.283
  528    HB2  SER  65           2HB      SER  65   0.916  -6.435   8.034
  529    HB3  SER  65           1HB      SER  65   0.248  -5.193   9.092
  530    HG   SER  65           HG       SER  65   1.398  -5.965  10.745
  531    H    THR  66           H        THR  66  -2.392  -5.268   9.925
  532    HA   THR  66           HA       THR  66  -4.068  -5.460   7.495
  533    HB   THR  66           HB       THR  66  -4.803  -4.344  10.206
  534    HG1  THR  66           1HG      THR  66  -5.465  -6.292  10.772
  535   HG21  THR  66          3HG2      THR  66  -7.029  -4.383   9.535
  536   HG22  THR  66          1HG2      THR  66  -6.700  -5.441   8.163
  537   HG23  THR  66          2HG2      THR  66  -6.188  -3.752   8.117
  538    H    LEU  67           H        LEU  67  -4.003  -3.763   6.121
  539    HA   LEU  67           HA       LEU  67  -3.056  -1.117   7.027
  540    HB2  LEU  67           2HB      LEU  67  -3.270  -2.083   4.163
  541    HB3  LEU  67           1HB      LEU  67  -2.509  -0.625   4.748
  542    HG   LEU  67           HG       LEU  67  -0.931  -2.382   6.021
  543   HD11  LEU  67          1HD1      LEU  67  -2.038  -4.376   5.404
  544   HD12  LEU  67          2HD1      LEU  67  -0.481  -4.316   4.574
  545   HD13  LEU  67          3HD1      LEU  67  -1.967  -3.951   3.695
  546   HD21  LEU  67          3HD2      LEU  67   0.603  -2.317   4.069
  547   HD22  LEU  67          1HD2      LEU  67  -0.056  -0.742   4.519
  548   HD23  LEU  67          2HD2      LEU  67  -0.706  -1.604   3.124
  549    H    HIS  68           H        HIS  68  -4.270   0.737   6.225
  550    HA   HIS  68           HA       HIS  68  -7.106   0.132   5.637
  551    HB2  HIS  68           2HB      HIS  68  -5.824   2.471   7.079
  552    HB3  HIS  68           1HB      HIS  68  -7.528   2.401   6.661
  553    HD1  HIS  68           1HD      HIS  68  -4.968   0.727   8.858
  554    HD2  HIS  68           2HD      HIS  68  -9.093   0.967   8.438
  555    HE1  HIS  68           1HE      HIS  68  -5.912  -0.399  10.892
  556    H    LEU  69           H        LEU  69  -8.034   0.963   3.816
  557    HA   LEU  69           HA       LEU  69  -6.374   2.707   2.093
  558    HB2  LEU  69           2HB      LEU  69  -7.047   0.467   1.206
  559    HB3  LEU  69           1HB      LEU  69  -8.723   0.936   1.384
  560    HG   LEU  69           HG       LEU  69  -8.296   2.760  -0.273
  561   HD11  LEU  69          1HD1      LEU  69  -5.883   2.954  -0.005
  562   HD12  LEU  69          2HD1      LEU  69  -6.303   2.609  -1.682
  563   HD13  LEU  69          3HD1      LEU  69  -5.674   1.325  -0.649
  564   HD21  LEU  69          3HD2      LEU  69  -7.753  -0.047  -1.216
  565   HD22  LEU  69          1HD2      LEU  69  -8.325   1.289  -2.217
  566   HD23  LEU  69          2HD2      LEU  69  -9.342   0.655  -0.923
  567    H    VAL  70           H        VAL  70  -7.062   4.772   1.699
  568    HA   VAL  70           HA       VAL  70  -9.832   5.519   2.272
  569    HB   VAL  70           HB       VAL  70  -7.205   6.830   2.877
  570   HG11  VAL  70          1HG1      VAL  70  -8.319   8.988   3.461
  571   HG12  VAL  70          2HG1      VAL  70  -9.796   8.387   2.711
  572   HG13  VAL  70          3HG1      VAL  70  -8.357   8.655   1.728
  573   HG21  VAL  70          3HG2      VAL  70  -8.310   5.476   4.549
  574   HG22  VAL  70          1HG2      VAL  70  -9.650   6.624   4.566
  575   HG23  VAL  70          2HG2      VAL  70  -8.037   7.140   5.063
  576    H    LEU  71           H        LEU  71 -10.853   6.707   0.636
  577    HA   LEU  71           HA       LEU  71  -9.386   6.928  -1.906
  578    HB2  LEU  71           2HB      LEU  71 -12.363   6.934  -1.397
  579    HB3  LEU  71           1HB      LEU  71 -11.597   6.982  -2.973
  580    HG   LEU  71           HG       LEU  71 -11.251   4.678  -1.054
  581   HD11  LEU  71          1HD1      LEU  71 -12.881   3.490  -2.498
  582   HD12  LEU  71          2HD1      LEU  71 -13.245   5.024  -3.285
  583   HD13  LEU  71          3HD1      LEU  71 -13.591   4.808  -1.568
  584   HD21  LEU  71          3HD2      LEU  71 -10.459   3.483  -2.996
  585   HD22  LEU  71          1HD2      LEU  71  -9.530   4.971  -2.816
  586   HD23  LEU  71          2HD2      LEU  71 -10.803   4.867  -4.032
  587    H    ARG  72           H        ARG  72  -9.000   8.833  -2.885
  588    HA   ARG  72           HA       ARG  72  -9.857  11.294  -1.532
  589    HB2  ARG  72           2HB      ARG  72  -7.439  10.791  -2.169
  590    HB3  ARG  72           1HB      ARG  72  -7.919  11.055  -3.836
  591    HG2  ARG  72           2HG      ARG  72  -8.644  13.336  -3.233
  592    HG3  ARG  72           1HG      ARG  72  -8.060  13.057  -1.590
  593    HD2  ARG  72           2HD      ARG  72  -5.810  12.778  -2.378
  594    HD3  ARG  72           1HD      ARG  72  -6.343  12.841  -4.055
  595    HE   ARG  72           HE       ARG  72  -7.148  15.235  -3.126
  596   HH11  ARG  72          1HH1      ARG  72  -3.967  13.670  -2.898
  597   HH12  ARG  72          2HH1      ARG  72  -3.128  15.181  -2.853
  598   HH21  ARG  72          1HH2      ARG  72  -5.989  17.165  -3.067
  599   HH22  ARG  72          2HH2      ARG  72  -4.262  17.147  -2.951
  600    H    LEU  73           H        LEU  73 -10.696  13.123  -2.768
  601    HA   LEU  73           HA       LEU  73 -11.987  12.430  -5.337
  602    HB2  LEU  73           2HB      LEU  73 -13.260  13.843  -2.989
  603    HB3  LEU  73           1HB      LEU  73 -13.971  13.731  -4.586
  604    HG   LEU  73           HG       LEU  73 -13.300  11.300  -2.935
  605   HD11  LEU  73          1HD1      LEU  73 -15.980  12.656  -3.178
  606   HD12  LEU  73          2HD1      LEU  73 -14.936  12.726  -1.758
  607   HD13  LEU  73          3HD1      LEU  73 -15.609  11.183  -2.283
  608   HD21  LEU  73          3HD2      LEU  73 -14.912  10.215  -4.458
  609   HD22  LEU  73          1HD2      LEU  73 -13.504  10.862  -5.303
  610   HD23  LEU  73          2HD2      LEU  73 -15.039  11.725  -5.359
  611    H    ARG  74           H        ARG  74 -10.875  13.674  -6.753
  612    HA   ARG  74           HA       ARG  74 -10.190  16.451  -6.052
  613    HB2  ARG  74           2HB      ARG  74  -8.551  14.691  -7.067
  614    HB3  ARG  74           1HB      ARG  74  -9.347  15.056  -8.591
  615    HG2  ARG  74           2HG      ARG  74  -8.135  17.179  -6.840
  616    HG3  ARG  74           1HG      ARG  74  -7.217  16.317  -8.075
  617    HD2  ARG  74           2HD      ARG  74  -9.010  17.050  -9.715
  618    HD3  ARG  74           1HD      ARG  74  -9.600  18.123  -8.446
  619    HE   ARG  74           HE       ARG  74  -7.323  18.517 -10.108
  620   HH11  ARG  74          1HH1      ARG  74  -8.513  19.270  -6.849
  621   HH12  ARG  74          2HH1      ARG  74  -7.494  20.659  -6.698
  622   HH21  ARG  74          1HH2      ARG  74  -6.018  20.345  -9.842
  623   HH22  ARG  74          2HH2      ARG  74  -6.098  21.267  -8.378
  624    H    GLY  75           H        GLY  75 -11.756  17.902  -6.508
  625    HA2  GLY  75           2HA      GLY  75 -13.127  19.207  -7.827
  626    HA3  GLY  75           1HA      GLY  75 -12.716  18.196  -9.204
  627    H    GLY  76           H        GLY  76 -15.350  19.284  -8.355
  628    HA2  GLY  76           2HA      GLY  76 -17.517  18.518  -8.573
  629    HA3  GLY  76           1HA      GLY  76 -16.891  16.882  -8.726
  Start of MODEL    2
    1    H1   MET   1           1HT      MET   1   5.044 -12.110   1.360
    2    H2   MET   1           2HT      MET   1   4.518 -13.709   1.054
    3    H3   MET   1           3HT      MET   1   5.879 -13.430   2.062
    4    HA   MET   1           HA       MET   1   3.931 -14.011   3.291
    5    HB2  MET   1           2HB      MET   1   4.037 -12.075   4.868
    6    HB3  MET   1           1HB      MET   1   5.615 -12.642   4.366
    7    HG2  MET   1           2HG      MET   1   5.792 -10.773   2.799
    8    HG3  MET   1           1HG      MET   1   4.194 -10.217   3.296
    9    HE1  MET   1           2HE      MET   1   5.250  -7.555   5.547
   10    HE2  MET   1           3HE      MET   1   4.110  -8.252   4.397
   11    HE3  MET   1           1HE      MET   1   5.688  -7.689   3.845
   12    H    GLN   2           H        GLN   2   1.810 -13.451   4.054
   13    HA   GLN   2           HA       GLN   2   0.164 -12.026   2.069
   14    HB2  GLN   2           2HB      GLN   2  -0.558 -13.868   4.355
   15    HB3  GLN   2           1HB      GLN   2  -1.736 -13.074   3.321
   16    HG2  GLN   2           2HG      GLN   2  -0.893 -14.253   1.390
   17    HG3  GLN   2           1HG      GLN   2   0.380 -14.988   2.364
   18   HE21  GLN   2          1HE2      GLN   2  -3.091 -14.937   1.716
   19   HE22  GLN   2          2HE2      GLN   2  -3.425 -16.453   2.473
   20    H    ILE   3           H        ILE   3  -1.126 -10.287   2.550
   21    HA   ILE   3           HA       ILE   3  -1.092  -9.170   5.264
   22    HB   ILE   3           HB       ILE   3  -0.766  -6.904   4.412
   23   HG12  ILE   3          2HG1      ILE   3   0.158  -8.061   1.768
   24   HG13  ILE   3          1HG1      ILE   3  -1.499  -7.510   1.991
   25   HG21  ILE   3          1HG2      ILE   3   1.114  -8.124   5.304
   26   HG22  ILE   3          2HG2      ILE   3   1.647  -7.093   3.977
   27   HG23  ILE   3          3HG2      ILE   3   1.450  -8.827   3.721
   28   HD11  ILE   3          3HD1      ILE   3   0.830  -5.734   2.591
   29   HD12  ILE   3          1HD1      ILE   3  -0.849  -5.296   2.279
   30   HD13  ILE   3          2HD1      ILE   3   0.167  -5.889   0.963
   31    H    PHE   4           H        PHE   4  -2.956  -7.460   5.526
   32    HA   PHE   4           HA       PHE   4  -5.214  -8.095   3.728
   33    HB2  PHE   4           2HB      PHE   4  -5.261  -7.617   6.720
   34    HB3  PHE   4           1HB      PHE   4  -6.669  -7.854   5.712
   35    HD1  PHE   4           1HD      PHE   4  -7.181 -10.052   4.761
   36    HD2  PHE   4           2HD      PHE   4  -3.867  -9.482   7.372
   37    HE1  PHE   4           1HE      PHE   4  -7.033 -12.483   5.098
   38    HE2  PHE   4           2HE      PHE   4  -3.714 -11.914   7.713
   39    HZ   PHE   4           HZ       PHE   4  -5.298 -13.418   6.574
   40    H    VAL   5           H        VAL   5  -6.439  -6.368   2.995
   41    HA   VAL   5           HA       VAL   5  -5.757  -3.667   4.033
   42    HB   VAL   5           HB       VAL   5  -6.605  -4.287   1.181
   43   HG11  VAL   5          1HG1      VAL   5  -7.254  -2.024   2.052
   44   HG12  VAL   5          2HG1      VAL   5  -6.122  -1.959   0.704
   45   HG13  VAL   5          3HG1      VAL   5  -5.547  -1.698   2.350
   46   HG21  VAL   5          3HG2      VAL   5  -4.363  -5.112   1.482
   47   HG22  VAL   5          1HG2      VAL   5  -3.877  -3.633   2.315
   48   HG23  VAL   5          2HG2      VAL   5  -4.273  -3.590   0.593
   49    H    LYS   6           H        LYS   6  -7.470  -2.638   4.963
   50    HA   LYS   6           HA       LYS   6 -10.190  -3.678   4.478
   51    HB2  LYS   6           2HB      LYS   6  -8.828  -2.482   6.844
   52    HB3  LYS   6           1HB      LYS   6 -10.520  -2.041   6.626
   53    HG2  LYS   6           2HG      LYS   6 -10.827  -4.648   6.355
   54    HG3  LYS   6           1HG      LYS   6  -9.292  -4.705   7.223
   55    HD2  LYS   6           2HD      LYS   6 -10.283  -3.393   9.039
   56    HD3  LYS   6           1HD      LYS   6 -11.812  -3.340   8.161
   57    HE2  LYS   6           2HE      LYS   6 -12.098  -5.696   8.365
   58    HE3  LYS   6           1HE      LYS   6 -10.460  -5.901   8.985
   59    HZ1  LYS   6           3HZ      LYS   6 -11.070  -4.738  10.980
   60    HZ2  LYS   6           1HZ      LYS   6 -12.169  -6.001  10.728
   61    HZ3  LYS   6           2HZ      LYS   6 -12.615  -4.407  10.378
   62    H    THR   7           H        THR   7 -11.738  -2.416   3.563
   63    HA   THR   7           HA       THR   7 -10.973   0.274   2.677
   64    HB   THR   7           HB       THR   7 -12.648   0.092   0.975
   65    HG1  THR   7           1HG      THR   7 -14.388  -0.896   1.708
   66   HG21  THR   7          3HG2      THR   7 -11.415  -2.641   1.109
   67   HG22  THR   7          1HG2      THR   7 -10.590  -1.195   0.529
   68   HG23  THR   7          2HG2      THR   7 -12.015  -1.794  -0.317
   69    H    LEU   8           H        LEU   8 -12.660   1.993   2.660
   70    HA   LEU   8           HA       LEU   8 -13.686   2.649   5.156
   71    HB2  LEU   8           2HB      LEU   8 -15.011   3.412   2.550
   72    HB3  LEU   8           1HB      LEU   8 -15.183   4.246   4.078
   73    HG   LEU   8           HG       LEU   8 -12.617   4.056   2.511
   74   HD11  LEU   8          1HD1      LEU   8 -14.413   5.368   1.397
   75   HD12  LEU   8          2HD1      LEU   8 -12.987   6.311   1.829
   76   HD13  LEU   8          3HD1      LEU   8 -14.447   6.420   2.812
   77   HD21  LEU   8          3HD2      LEU   8 -13.324   5.777   4.882
   78   HD22  LEU   8          1HD2      LEU   8 -11.778   5.736   4.035
   79   HD23  LEU   8          2HD2      LEU   8 -12.320   4.330   4.949
   80    H    THR   9           H        THR   9 -15.698   1.193   2.509
   81    HA   THR   9           HA       THR   9 -18.017   0.996   4.035
   82    HB   THR   9           HB       THR   9 -18.928  -0.436   2.318
   83    HG1  THR   9           1HG      THR   9 -17.708  -1.566   0.952
   84   HG21  THR   9          3HG2      THR   9 -18.256   2.015   1.731
   85   HG22  THR   9          1HG2      THR   9 -18.784   0.906   0.466
   86   HG23  THR   9          2HG2      THR   9 -17.065   1.228   0.695
   87    H    GLY  10           H        GLY  10 -15.251  -0.885   4.656
   88    HA2  GLY  10           2HA      GLY  10 -15.172  -2.319   6.510
   89    HA3  GLY  10           1HA      GLY  10 -16.848  -2.744   6.257
   90    H    LYS  11           H        LYS  11 -15.156  -2.898   3.266
   91    HA   LYS  11           HA       LYS  11 -15.276  -5.786   3.312
   92    HB2  LYS  11           2HB      LYS  11 -15.860  -4.315   1.297
   93    HB3  LYS  11           1HB      LYS  11 -14.136  -4.075   1.096
   94    HG2  LYS  11           2HG      LYS  11 -13.836  -6.497   0.833
   95    HG3  LYS  11           1HG      LYS  11 -15.578  -6.722   1.012
   96    HD2  LYS  11           2HD      LYS  11 -15.981  -5.398  -0.983
   97    HD3  LYS  11           1HD      LYS  11 -14.254  -5.072  -1.140
   98    HE2  LYS  11           2HE      LYS  11 -14.765  -6.809  -2.673
   99    HE3  LYS  11           1HE      LYS  11 -13.909  -7.557  -1.324
  100    HZ1  LYS  11           3HZ      LYS  11 -16.059  -8.240  -0.415
  101    HZ2  LYS  11           1HZ      LYS  11 -15.803  -8.883  -1.959
  102    HZ3  LYS  11           2HZ      LYS  11 -16.848  -7.570  -1.752
  103    H    THR  12           H        THR  12 -13.448  -7.199   3.220
  104    HA   THR  12           HA       THR  12 -10.801  -5.942   3.724
  105    HB   THR  12           HB       THR  12 -11.709  -8.679   4.664
  106    HG1  THR  12           1HG      THR  12 -12.331  -7.794   6.493
  107   HG21  THR  12          3HG2      THR  12  -9.367  -7.010   5.587
  108   HG22  THR  12          1HG2      THR  12  -9.254  -8.401   4.509
  109   HG23  THR  12          2HG2      THR  12  -9.812  -8.615   6.167
  110    H    ILE  13           H        ILE  13  -9.251  -6.364   2.249
  111    HA   ILE  13           HA       ILE  13  -9.640  -8.570   0.309
  112    HB   ILE  13           HB       ILE  13  -7.736  -6.269  -0.224
  113   HG12  ILE  13          2HG1      ILE  13 -10.618  -6.209  -1.154
  114   HG13  ILE  13          1HG1      ILE  13 -10.051  -5.317   0.253
  115   HG21  ILE  13          1HG2      ILE  13  -8.062  -6.889  -2.534
  116   HG22  ILE  13          2HG2      ILE  13  -9.322  -8.039  -2.084
  117   HG23  ILE  13          3HG2      ILE  13  -7.652  -8.321  -1.590
  118   HD11  ILE  13          3HD1      ILE  13 -10.202  -3.959  -1.805
  119   HD12  ILE  13          1HD1      ILE  13  -8.945  -4.970  -2.519
  120   HD13  ILE  13          2HD1      ILE  13  -8.587  -3.995  -1.093
  121    H    THR  14           H        THR  14  -7.964 -10.071   0.015
  122    HA   THR  14           HA       THR  14  -5.678  -9.859   1.869
  123    HB   THR  14           HB       THR  14  -6.572 -12.360   0.419
  124    HG1  THR  14           1HG      THR  14  -7.910 -12.825   2.058
  125   HG21  THR  14          3HG2      THR  14  -4.313 -12.245   1.562
  126   HG22  THR  14          1HG2      THR  14  -5.384 -13.562   2.040
  127   HG23  THR  14          2HG2      THR  14  -5.206 -12.150   3.080
  128    H    LEU  15           H        LEU  15  -3.643  -9.632   1.062
  129    HA   LEU  15           HA       LEU  15  -3.269 -10.035  -1.848
  130    HB2  LEU  15           2HB      LEU  15  -2.056  -7.832  -0.177
  131    HB3  LEU  15           1HB      LEU  15  -1.769  -8.097  -1.885
  132    HG   LEU  15           HG       LEU  15  -4.491  -7.451  -0.748
  133   HD11  LEU  15          1HD1      LEU  15  -2.414  -5.607  -1.914
  134   HD12  LEU  15          2HD1      LEU  15  -3.065  -5.579  -0.276
  135   HD13  LEU  15          3HD1      LEU  15  -4.102  -5.174  -1.644
  136   HD21  LEU  15          3HD2      LEU  15  -4.414  -8.599  -2.948
  137   HD22  LEU  15          1HD2      LEU  15  -3.442  -7.265  -3.569
  138   HD23  LEU  15          2HD2      LEU  15  -5.095  -6.975  -3.027
  139    H    GLU  16           H        GLU  16  -1.300 -10.853  -2.540
  140    HA   GLU  16           HA       GLU  16   0.458 -12.007  -0.466
  141    HB2  GLU  16           2HB      GLU  16  -0.525 -13.472  -2.330
  142    HB3  GLU  16           1HB      GLU  16   0.531 -12.610  -3.439
  143    HG2  GLU  16           2HG      GLU  16   1.606 -13.990  -1.003
  144    HG3  GLU  16           1HG      GLU  16   1.313 -14.864  -2.504
  145    H    VAL  17           H        VAL  17   2.333 -10.888  -0.059
  146    HA   VAL  17           HA       VAL  17   3.524  -9.219  -2.186
  147    HB   VAL  17           HB       VAL  17   3.892  -7.397  -0.531
  148   HG11  VAL  17          1HG1      VAL  17   2.100  -7.203  -2.121
  149   HG12  VAL  17          2HG1      VAL  17   1.560  -6.564  -0.568
  150   HG13  VAL  17          3HG1      VAL  17   1.033  -8.162  -1.095
  151   HG21  VAL  17          3HG2      VAL  17   2.437  -7.348   1.505
  152   HG22  VAL  17          1HG2      VAL  17   3.707  -8.571   1.574
  153   HG23  VAL  17          2HG2      VAL  17   2.046  -9.043   1.216
  154    H    GLU  18           H        GLU  18   5.728  -8.412  -1.593
  155    HA   GLU  18           HA       GLU  18   7.223 -10.271   0.166
  156    HB2  GLU  18           2HB      GLU  18   8.142  -8.884  -2.386
  157    HB3  GLU  18           1HB      GLU  18   9.201  -9.762  -1.301
  158    HG2  GLU  18           2HG      GLU  18   8.772 -11.295  -2.989
  159    HG3  GLU  18           1HG      GLU  18   7.592 -11.751  -1.720
  160    HA   PRO  19           HA       PRO  19   8.133  -6.669   2.602
  161    HB2  PRO  19           2HB      PRO  19  10.950  -7.507   2.980
  162    HB3  PRO  19           1HB      PRO  19   9.674  -7.190   4.166
  163    HG2  PRO  19           2HG      PRO  19  10.452  -9.699   3.579
  164    HG3  PRO  19           1HG      PRO  19   8.768  -9.303   3.958
  165    HD2  PRO  19           2HD      PRO  19  10.025  -9.802   1.270
  166    HD3  PRO  19           1HD      PRO  19   8.440 -10.322   1.897
  167    H    SER  20           H        SER  20  10.373  -7.364  -0.046
  168    HA   SER  20           HA       SER  20  11.512  -4.698  -0.074
  169    HB2  SER  20           2HB      SER  20  12.596  -5.528  -2.208
  170    HB3  SER  20           1HB      SER  20  12.979  -6.437  -0.747
  171    HG   SER  20           HG       SER  20  12.233  -7.537  -2.860
  172    H    ASP  21           H        ASP  21   8.447  -5.711  -1.026
  173    HA   ASP  21           HA       ASP  21   8.257  -4.466  -3.603
  174    HB2  ASP  21           2HB      ASP  21   6.221  -5.480  -1.625
  175    HB3  ASP  21           1HB      ASP  21   5.717  -4.561  -3.036
  176    H    THR  22           H        THR  22   7.477  -2.416  -4.095
  177    HA   THR  22           HA       THR  22   7.679  -0.379  -2.026
  178    HB   THR  22           HB       THR  22   7.474   1.221  -3.848
  179    HG1  THR  22           1HG      THR  22   6.942   0.649  -5.843
  180   HG21  THR  22          3HG2      THR  22   9.414  -0.991  -4.442
  181   HG22  THR  22          1HG2      THR  22   9.705   0.480  -3.514
  182   HG23  THR  22          2HG2      THR  22   9.414   0.577  -5.251
  183    H    ILE  23           H        ILE  23   6.029   1.274  -1.708
  184    HA   ILE  23           HA       ILE  23   3.393   0.273  -1.313
  185    HB   ILE  23           HB       ILE  23   4.429   3.104  -1.379
  186   HG12  ILE  23          2HG1      ILE  23   5.462   1.734   0.328
  187   HG13  ILE  23          1HG1      ILE  23   4.431   2.944   1.071
  188   HG21  ILE  23          1HG2      ILE  23   1.770   2.189  -0.300
  189   HG22  ILE  23          2HG2      ILE  23   2.013   3.166  -1.747
  190   HG23  ILE  23          3HG2      ILE  23   2.438   3.815  -0.164
  191   HD11  ILE  23          3HD1      ILE  23   2.663   1.106   1.220
  192   HD12  ILE  23          1HD1      ILE  23   4.051   1.005   2.306
  193   HD13  ILE  23          2HD1      ILE  23   3.981  -0.012   0.866
  194    H    GLU  24           H        GLU  24   4.751   2.227  -4.006
  195    HA   GLU  24           HA       GLU  24   2.358   2.652  -5.495
  196    HB2  GLU  24           2HB      GLU  24   4.640   3.680  -5.973
  197    HB3  GLU  24           1HB      GLU  24   5.109   2.136  -6.666
  198    HG2  GLU  24           2HG      GLU  24   3.437   2.359  -8.391
  199    HG3  GLU  24           1HG      GLU  24   2.820   3.832  -7.646
  200    H    ASN  25           H        ASN  25   4.529  -0.175  -5.321
  201    HA   ASN  25           HA       ASN  25   3.203  -1.668  -7.412
  202    HB2  ASN  25           2HB      ASN  25   5.584  -2.073  -6.448
  203    HB3  ASN  25           1HB      ASN  25   4.762  -2.937  -5.154
  204   HD21  ASN  25          1HD2      ASN  25   6.471  -3.539  -7.796
  205   HD22  ASN  25          2HD2      ASN  25   5.664  -4.945  -8.391
  206    H    VAL  26           H        VAL  26   2.779  -1.517  -3.883
  207    HA   VAL  26           HA       VAL  26   0.788  -3.588  -3.722
  208    HB   VAL  26           HB       VAL  26   1.278  -1.212  -1.874
  209   HG11  VAL  26          1HG1      VAL  26  -0.388  -3.691  -1.388
  210   HG12  VAL  26          2HG1      VAL  26  -0.993  -2.041  -1.532
  211   HG13  VAL  26          3HG1      VAL  26   0.032  -2.487  -0.167
  212   HG21  VAL  26          3HG2      VAL  26   2.553  -2.655  -0.521
  213   HG22  VAL  26          1HG2      VAL  26   3.134  -2.886  -2.167
  214   HG23  VAL  26          2HG2      VAL  26   2.060  -4.079  -1.434
  215    H    LYS  27           H        LYS  27   0.523  -0.054  -4.300
  216    HA   LYS  27           HA       LYS  27  -2.309   0.041  -4.387
  217    HB2  LYS  27           2HB      LYS  27  -0.303   1.737  -5.911
  218    HB3  LYS  27           1HB      LYS  27  -2.016   2.092  -5.785
  219    HG2  LYS  27           2HG      LYS  27  -1.329   2.041  -3.136
  220    HG3  LYS  27           1HG      LYS  27   0.185   2.630  -3.885
  221    HD2  LYS  27           2HD      LYS  27  -1.336   4.266  -5.131
  222    HD3  LYS  27           1HD      LYS  27  -2.537   3.849  -3.909
  223    HE2  LYS  27           2HE      LYS  27   0.245   4.752  -3.194
  224    HE3  LYS  27           1HE      LYS  27  -1.077   5.889  -3.460
  225    HZ1  LYS  27           3HZ      LYS  27  -0.825   5.347  -1.118
  226    HZ2  LYS  27           1HZ      LYS  27  -1.065   3.705  -1.448
  227    HZ3  LYS  27           2HZ      LYS  27  -2.321   4.811  -1.695
  228    H    ALA  28           H        ALA  28   0.103  -0.693  -6.922
  229    HA   ALA  28           HA       ALA  28  -1.691  -0.768  -9.109
  230    HB1  ALA  28           1HB      ALA  28   0.676  -0.681  -9.532
  231    HB2  ALA  28           2HB      ALA  28   0.023  -2.145 -10.268
  232    HB3  ALA  28           3HB      ALA  28   0.916  -2.244  -8.750
  233    H    LYS  29           H        LYS  29  -0.758  -3.277  -6.767
  234    HA   LYS  29           HA       LYS  29  -2.201  -5.482  -7.967
  235    HB2  LYS  29           2HB      LYS  29  -1.282  -5.002  -5.121
  236    HB3  LYS  29           1HB      LYS  29  -2.032  -6.493  -5.674
  237    HG2  LYS  29           2HG      LYS  29  -0.205  -7.017  -7.072
  238    HG3  LYS  29           1HG      LYS  29   0.477  -5.397  -6.911
  239    HD2  LYS  29           2HD      LYS  29   1.083  -5.789  -4.643
  240    HD3  LYS  29           1HD      LYS  29   0.148  -7.283  -4.583
  241    HE2  LYS  29           2HE      LYS  29   2.464  -6.930  -6.471
  242    HE3  LYS  29           1HE      LYS  29   2.686  -7.481  -4.811
  243    HZ1  LYS  29           3HZ      LYS  29   0.891  -8.808  -6.766
  244    HZ2  LYS  29           1HZ      LYS  29   1.329  -9.375  -5.234
  245    HZ3  LYS  29           2HZ      LYS  29   2.484  -9.293  -6.467
  246    H    ILE  30           H        ILE  30  -3.117  -2.969  -5.607
  247    HA   ILE  30           HA       ILE  30  -5.748  -4.052  -5.111
  248    HB   ILE  30           HB       ILE  30  -4.609  -1.280  -4.639
  249   HG12  ILE  30          2HG1      ILE  30  -5.328  -3.577  -2.798
  250   HG13  ILE  30          1HG1      ILE  30  -3.704  -3.134  -3.297
  251   HG21  ILE  30          1HG2      ILE  30  -6.662  -0.917  -3.191
  252   HG22  ILE  30          2HG2      ILE  30  -7.374  -2.329  -3.969
  253   HG23  ILE  30          3HG2      ILE  30  -6.972  -0.905  -4.928
  254   HD11  ILE  30          3HD1      ILE  30  -5.500  -1.871  -1.310
  255   HD12  ILE  30          1HD1      ILE  30  -4.371  -0.836  -2.187
  256   HD13  ILE  30          2HD1      ILE  30  -3.766  -2.191  -1.233
  257    H    GLN  31           H        GLN  31  -4.486  -1.686  -7.504
  258    HA   GLN  31           HA       GLN  31  -6.959  -0.923  -8.720
  259    HB2  GLN  31           2HB      GLN  31  -4.768   0.196  -9.182
  260    HB3  GLN  31           1HB      GLN  31  -4.208  -1.264  -9.980
  261    HG2  GLN  31           2HG      GLN  31  -6.478  -0.677 -11.412
  262    HG3  GLN  31           1HG      GLN  31  -5.921   0.930 -10.960
  263   HE21  GLN  31          1HE2      GLN  31  -4.390   1.861 -12.231
  264   HE22  GLN  31          2HE2      GLN  31  -3.435   1.014 -13.393
  265    H    ASP  32           H        ASP  32  -4.762  -3.650  -9.360
  266    HA   ASP  32           HA       ASP  32  -6.162  -4.750 -11.587
  267    HB2  ASP  32           2HB      ASP  32  -4.520  -6.294  -9.567
  268    HB3  ASP  32           1HB      ASP  32  -4.906  -6.804 -11.213
  269    H    LYS  33           H        LYS  33  -6.511  -5.416  -8.097
  270    HA   LYS  33           HA       LYS  33  -8.512  -7.467  -8.520
  271    HB2  LYS  33           2HB      LYS  33  -7.794  -6.034  -5.959
  272    HB3  LYS  33           1HB      LYS  33  -8.654  -7.552  -6.077
  273    HG2  LYS  33           2HG      LYS  33  -6.196  -7.975  -7.406
  274    HG3  LYS  33           1HG      LYS  33  -5.808  -7.049  -5.960
  275    HD2  LYS  33           2HD      LYS  33  -6.880  -8.710  -4.563
  276    HD3  LYS  33           1HD      LYS  33  -7.419  -9.600  -5.990
  277    HE2  LYS  33           2HE      LYS  33  -4.992  -9.856  -6.610
  278    HE3  LYS  33           1HE      LYS  33  -4.595  -9.204  -5.021
  279    HZ1  LYS  33           3HZ      LYS  33  -6.284 -11.606  -5.439
  280    HZ2  LYS  33           1HZ      LYS  33  -5.660 -11.036  -3.973
  281    HZ3  LYS  33           2HZ      LYS  33  -4.619 -11.668  -5.147
  282    H    GLU  34           H        GLU  34  -8.692  -4.073  -7.404
  283    HA   GLU  34           HA       GLU  34 -11.641  -4.308  -7.397
  284    HB2  GLU  34           2HB      GLU  34  -9.781  -2.595  -5.778
  285    HB3  GLU  34           1HB      GLU  34 -11.533  -2.404  -5.771
  286    HG2  GLU  34           2HG      GLU  34 -10.243  -5.041  -5.238
  287    HG3  GLU  34           1HG      GLU  34 -10.415  -3.842  -3.926
  288    H    GLY  35           H        GLY  35  -9.272  -2.769  -9.304
  289    HA2  GLY  35           2HA      GLY  35  -9.570  -1.362 -11.068
  290    HA3  GLY  35           1HA      GLY  35 -11.270  -1.281 -10.679
  291    H    ILE  36           H        ILE  36  -9.249  -0.317  -8.065
  292    HA   ILE  36           HA       ILE  36 -10.075   2.463  -8.342
  293    HB   ILE  36           HB       ILE  36  -8.326   1.264  -6.167
  294   HG12  ILE  36          2HG1      ILE  36 -11.284   1.686  -5.741
  295   HG13  ILE  36          1HG1      ILE  36 -10.737   0.209  -6.519
  296   HG21  ILE  36          1HG2      ILE  36  -8.421   3.767  -6.394
  297   HG22  ILE  36          2HG2      ILE  36  -8.953   3.150  -4.829
  298   HG23  ILE  36          3HG2      ILE  36 -10.142   3.675  -6.019
  299   HD11  ILE  36          3HD1      ILE  36 -11.094   0.133  -4.020
  300   HD12  ILE  36          1HD1      ILE  36  -9.629   1.107  -3.888
  301   HD13  ILE  36          2HD1      ILE  36  -9.561  -0.492  -4.627
  302    HA   PRO  37           HA       PRO  37  -6.079   3.322 -10.384
  303    HB2  PRO  37           2HB      PRO  37  -6.746   6.207 -10.083
  304    HB3  PRO  37           1HB      PRO  37  -6.444   5.275 -11.555
  305    HG2  PRO  37           2HG      PRO  37  -8.900   6.122 -10.912
  306    HG3  PRO  37           1HG      PRO  37  -8.632   4.561 -11.710
  307    HD2  PRO  37           2HD      PRO  37  -9.158   5.131  -8.805
  308    HD3  PRO  37           1HD      PRO  37  -9.854   3.877  -9.852
  309    HA   PRO  38           HA       PRO  38  -3.490   3.966  -6.822
  310    HB2  PRO  38           2HB      PRO  38  -1.424   5.139  -8.666
  311    HB3  PRO  38           1HB      PRO  38  -1.275   3.783  -7.543
  312    HG2  PRO  38           2HG      PRO  38  -1.438   3.368 -10.159
  313    HG3  PRO  38           1HG      PRO  38  -2.253   2.289  -9.015
  314    HD2  PRO  38           2HD      PRO  38  -3.404   4.478 -10.709
  315    HD3  PRO  38           1HD      PRO  38  -4.055   2.864 -10.353
  316    H    ASP  39           H        ASP  39  -3.815   6.727  -9.043
  317    HA   ASP  39           HA       ASP  39  -2.786   8.626  -7.225
  318    HB2  ASP  39           2HB      ASP  39  -3.065   8.901  -9.749
  319    HB3  ASP  39           1HB      ASP  39  -4.749   9.283  -9.424
  320    H    GLN  40           H        GLN  40  -5.886   7.055  -7.239
  321    HA   GLN  40           HA       GLN  40  -7.126   9.150  -5.593
  322    HB2  GLN  40           2HB      GLN  40  -8.283   6.705  -6.936
  323    HB3  GLN  40           1HB      GLN  40  -9.197   7.785  -5.895
  324    HG2  GLN  40           2HG      GLN  40  -8.470   9.638  -7.498
  325    HG3  GLN  40           1HG      GLN  40  -8.000   8.329  -8.580
  326   HE21  GLN  40          1HE2      GLN  40  -9.512   8.368 -10.177
  327   HE22  GLN  40          2HE2      GLN  40 -11.216   8.307  -9.901
  328    H    GLN  41           H        GLN  41  -5.227   6.443  -5.045
  329    HA   GLN  41           HA       GLN  41  -6.706   5.445  -2.696
  330    HB2  GLN  41           2HB      GLN  41  -4.500   4.365  -4.412
  331    HB3  GLN  41           1HB      GLN  41  -4.847   3.657  -2.840
  332    HG2  GLN  41           2HG      GLN  41  -7.220   3.370  -3.633
  333    HG3  GLN  41           1HG      GLN  41  -6.644   3.810  -5.241
  334   HE21  GLN  41          1HE2      GLN  41  -6.098   2.133  -6.519
  335   HE22  GLN  41          2HE2      GLN  41  -5.589   0.582  -5.955
  336    H    ARG  42           H        ARG  42  -6.023   5.710  -0.617
  337    HA   ARG  42           HA       ARG  42  -3.300   6.694  -0.132
  338    HB2  ARG  42           2HB      ARG  42  -5.843   7.448   1.345
  339    HB3  ARG  42           1HB      ARG  42  -4.231   7.814   1.944
  340    HG2  ARG  42           2HG      ARG  42  -3.838   9.154  -0.108
  341    HG3  ARG  42           1HG      ARG  42  -5.520   8.873  -0.556
  342    HD2  ARG  42           2HD      ARG  42  -6.339  10.143   1.217
  343    HD3  ARG  42           1HD      ARG  42  -4.832  10.041   2.124
  344    HE   ARG  42           HE       ARG  42  -4.160  11.438  -0.129
  345   HH11  ARG  42          1HH1      ARG  42  -6.589  11.986   2.404
  346   HH12  ARG  42          2HH1      ARG  42  -6.531  13.704   2.215
  347   HH21  ARG  42          1HH2      ARG  42  -4.134  13.686  -0.320
  348   HH22  ARG  42          2HH2      ARG  42  -5.151  14.660   0.689
  349    H    LEU  43           H        LEU  43  -2.127   5.336   1.195
  350    HA   LEU  43           HA       LEU  43  -3.608   3.187   2.589
  351    HB2  LEU  43           2HB      LEU  43  -0.787   3.254   1.496
  352    HB3  LEU  43           1HB      LEU  43  -1.474   1.955   2.463
  353    HG   LEU  43           HG       LEU  43  -2.574   2.797  -0.222
  354   HD11  LEU  43          1HD1      LEU  43  -0.696   0.537   0.450
  355   HD12  LEU  43          2HD1      LEU  43  -0.315   1.963  -0.512
  356   HD13  LEU  43          3HD1      LEU  43  -1.483   0.785  -1.108
  357   HD21  LEU  43          3HD2      LEU  43  -3.051   0.353   1.485
  358   HD22  LEU  43          1HD2      LEU  43  -3.711   0.623  -0.128
  359   HD23  LEU  43          2HD2      LEU  43  -4.192   1.670   1.207
  360    H    ILE  44           H        ILE  44  -3.483   2.997   4.737
  361    HA   ILE  44           HA       ILE  44  -1.488   4.585   6.245
  362    HB   ILE  44           HB       ILE  44  -4.467   4.327   6.662
  363   HG12  ILE  44          2HG1      ILE  44  -3.808   6.928   7.155
  364   HG13  ILE  44          1HG1      ILE  44  -2.542   6.531   6.015
  365   HG21  ILE  44          1HG2      ILE  44  -3.610   3.860   8.858
  366   HG22  ILE  44          2HG2      ILE  44  -4.160   5.535   8.843
  367   HG23  ILE  44          3HG2      ILE  44  -2.437   5.174   8.740
  368   HD11  ILE  44          3HD1      ILE  44  -5.378   6.974   5.557
  369   HD12  ILE  44          1HD1      ILE  44  -4.730   5.559   4.723
  370   HD13  ILE  44          2HD1      ILE  44  -3.992   7.141   4.476
  371    H    PHE  45           H        PHE  45  -0.455   3.589   7.867
  372    HA   PHE  45           HA       PHE  45  -1.406   0.996   8.874
  373    HB2  PHE  45           2HB      PHE  45   0.325   0.529   7.156
  374    HB3  PHE  45           1HB      PHE  45   1.458   1.555   8.021
  375    HD1  PHE  45           1HD      PHE  45  -0.755  -1.390   8.643
  376    HD2  PHE  45           2HD      PHE  45   2.981   0.493   9.436
  377    HE1  PHE  45           1HE      PHE  45  -0.059  -3.333   9.981
  378    HE2  PHE  45           2HE      PHE  45   3.682  -1.450  10.769
  379    HZ   PHE  45           HZ       PHE  45   2.159  -3.365  11.045
  380    H    ALA  46           H        ALA  46  -1.458   1.058  11.120
  381    HA   ALA  46           HA       ALA  46  -1.286   1.913  13.236
  382    HB1  ALA  46           1HB      ALA  46   1.133   2.290  13.946
  383    HB2  ALA  46           2HB      ALA  46   1.564   1.876  12.286
  384    HB3  ALA  46           3HB      ALA  46   0.720   0.703  13.297
  385    H    GLY  47           H        GLY  47  -2.334   3.848  11.627
  386    HA2  GLY  47           2HA      GLY  47  -2.908   6.055  11.754
  387    HA3  GLY  47           1HA      GLY  47  -1.754   6.237  13.053
  388    H    LYS  48           H        LYS  48  -0.022   5.076  10.382
  389    HA   LYS  48           HA       LYS  48   0.771   7.821   9.614
  390    HB2  LYS  48           2HB      LYS  48   2.452   5.350   9.232
  391    HB3  LYS  48           1HB      LYS  48   2.979   7.015   9.158
  392    HG2  LYS  48           2HG      LYS  48   2.696   7.262  11.551
  393    HG3  LYS  48           1HG      LYS  48   2.053   5.623  11.666
  394    HD2  LYS  48           2HD      LYS  48   4.245   4.825  10.702
  395    HD3  LYS  48           1HD      LYS  48   4.848   6.467  10.929
  396    HE2  LYS  48           2HE      LYS  48   4.379   6.311  13.322
  397    HE3  LYS  48           1HE      LYS  48   3.762   4.674  13.099
  398    HZ1  LYS  48           3HZ      LYS  48   5.990   4.525  13.871
  399    HZ2  LYS  48           1HZ      LYS  48   6.549   5.608  12.696
  400    HZ3  LYS  48           2HZ      LYS  48   6.001   4.075  12.241
  401    H    GLN  49           H        GLN  49   0.795   8.479   7.489
  402    HA   GLN  49           HA       GLN  49  -0.501   6.768   5.517
  403    HB2  GLN  49           2HB      GLN  49   0.612   9.581   5.373
  404    HB3  GLN  49           1HB      GLN  49  -0.067   8.749   3.980
  405    HG2  GLN  49           2HG      GLN  49  -2.210   8.618   5.015
  406    HG3  GLN  49           1HG      GLN  49  -1.568   9.237   6.536
  407   HE21  GLN  49          1HE2      GLN  49  -2.132  10.112   3.124
  408   HE22  GLN  49          2HE2      GLN  49  -2.306  11.804   3.426
  409    H    LEU  50           H        LEU  50   0.584   5.503   4.028
  410    HA   LEU  50           HA       LEU  50   3.481   5.359   4.162
  411    HB2  LEU  50           2HB      LEU  50   1.669   3.697   2.415
  412    HB3  LEU  50           1HB      LEU  50   3.314   3.352   2.889
  413    HG   LEU  50           HG       LEU  50   0.958   3.431   4.774
  414   HD11  LEU  50          1HD1      LEU  50   2.405   1.024   3.681
  415   HD12  LEU  50          2HD1      LEU  50   0.826   1.591   3.136
  416   HD13  LEU  50          3HD1      LEU  50   1.037   1.025   4.793
  417   HD21  LEU  50          3HD2      LEU  50   3.680   2.253   5.306
  418   HD22  LEU  50          1HD2      LEU  50   2.390   2.596   6.458
  419   HD23  LEU  50          2HD2      LEU  50   3.275   3.923   5.710
  420    H    GLU  51           H        GLU  51   4.944   5.987   2.597
  421    HA   GLU  51           HA       GLU  51   3.924   7.584   0.359
  422    HB2  GLU  51           2HB      GLU  51   6.704   7.191   1.483
  423    HB3  GLU  51           1HB      GLU  51   6.378   8.145   0.042
  424    HG2  GLU  51           2HG      GLU  51   5.274   9.799   1.203
  425    HG3  GLU  51           1HG      GLU  51   4.965   8.774   2.604
  426    H    ASP  52           H        ASP  52   4.275   7.244  -1.817
  427    HA   ASP  52           HA       ASP  52   4.326   4.583  -2.706
  428    HB2  ASP  52           2HB      ASP  52   4.621   7.158  -4.255
  429    HB3  ASP  52           1HB      ASP  52   4.469   5.569  -5.004
  430    H    GLY  53           H        GLY  53   7.031   6.815  -2.349
  431    HA2  GLY  53           2HA      GLY  53   8.805   5.168  -3.969
  432    HA3  GLY  53           1HA      GLY  53   9.242   6.609  -3.075
  433    H    ARG  54           H        ARG  54   7.658   4.655  -0.848
  434    HA   ARG  54           HA       ARG  54  10.222   3.522   0.117
  435    HB2  ARG  54           2HB      ARG  54   7.654   4.086   1.625
  436    HB3  ARG  54           1HB      ARG  54   9.095   3.373   2.324
  437    HG2  ARG  54           2HG      ARG  54   8.755   6.198   1.317
  438    HG3  ARG  54           1HG      ARG  54   8.977   5.655   2.968
  439    HD2  ARG  54           2HD      ARG  54  11.241   4.912   2.463
  440    HD3  ARG  54           1HD      ARG  54  11.038   5.387   0.777
  441    HE   ARG  54           HE       ARG  54  11.425   7.559   1.369
  442   HH11  ARG  54          1HH1      ARG  54  10.790   5.798   4.386
  443   HH12  ARG  54          2HH1      ARG  54  11.222   7.149   5.374
  444   HH21  ARG  54          1HH2      ARG  54  11.973   9.284   2.721
  445   HH22  ARG  54          2HH2      ARG  54  11.885   9.107   4.442
  446    H    THR  55           H        THR  55  10.052   1.427   1.333
  447    HA   THR  55           HA       THR  55   8.290  -0.479  -0.106
  448    HB   THR  55           HB       THR  55   9.851  -2.224   0.487
  449    HG1  THR  55           1HG      THR  55  11.460  -1.955   1.864
  450   HG21  THR  55          3HG2      THR  55  11.297   0.142  -0.671
  451   HG22  THR  55          1HG2      THR  55  10.431  -1.117  -1.551
  452   HG23  THR  55          2HG2      THR  55  11.905  -1.513  -0.669
  453    H    LEU  56           H        LEU  56   7.601  -2.407   1.107
  454    HA   LEU  56           HA       LEU  56   6.106  -1.811   3.428
  455    HB2  LEU  56           2HB      LEU  56   7.005  -4.502   2.406
  456    HB3  LEU  56           1HB      LEU  56   5.782  -4.252   3.639
  457    HG   LEU  56           HG       LEU  56   5.562  -3.328   0.771
  458   HD11  LEU  56          1HD1      LEU  56   5.548  -5.762   0.969
  459   HD12  LEU  56          2HD1      LEU  56   3.964  -5.140   0.506
  460   HD13  LEU  56          3HD1      LEU  56   4.256  -5.658   2.165
  461   HD21  LEU  56          3HD2      LEU  56   3.120  -3.085   1.442
  462   HD22  LEU  56          1HD2      LEU  56   4.227  -1.892   2.118
  463   HD23  LEU  56          2HD2      LEU  56   3.660  -3.233   3.112
  464    H    SER  57           H        SER  57   9.356  -3.218   3.203
  465    HA   SER  57           HA       SER  57   9.565  -3.992   5.945
  466    HB2  SER  57           2HB      SER  57  11.064  -5.060   4.384
  467    HB3  SER  57           1HB      SER  57  11.713  -3.495   3.880
  468    HG   SER  57           HG       SER  57  13.007  -4.759   5.422
  469    H    ASP  58           H        ASP  58  10.193  -0.946   4.242
  470    HA   ASP  58           HA       ASP  58  11.720   0.354   6.240
  471    HB2  ASP  58           2HB      ASP  58   9.826   1.543   4.196
  472    HB3  ASP  58           1HB      ASP  58  10.919   2.488   5.194
  473    H    TYR  59           H        TYR  59   8.246  -0.210   6.047
  474    HA   TYR  59           HA       TYR  59   7.754   1.488   8.407
  475    HB2  TYR  59           2HB      TYR  59   5.894   0.143   6.426
  476    HB3  TYR  59           1HB      TYR  59   5.319   0.920   7.898
  477    HD1  TYR  59           1HD      TYR  59   5.539   3.365   8.177
  478    HD2  TYR  59           2HD      TYR  59   6.597   1.444   4.531
  479    HE1  TYR  59           1HE      TYR  59   5.481   5.535   7.023
  480    HE2  TYR  59           2HE      TYR  59   6.542   3.610   3.368
  481    HH   TYR  59           HH       TYR  59   6.863   6.150   4.191
  482    H    ASN  60           H        ASN  60   8.918  -1.519   8.166
  483    HA   ASN  60           HA       ASN  60   8.919  -3.416   9.354
  484    HB2  ASN  60           2HB      ASN  60   7.801  -1.556  11.464
  485    HB3  ASN  60           1HB      ASN  60   8.342  -3.198  11.799
  486   HD21  ASN  60          1HD2      ASN  60   9.338   0.065  11.006
  487   HD22  ASN  60          2HD2      ASN  60  11.023  -0.189  11.281
  488    H    ILE  61           H        ILE  61   6.738  -3.244   7.598
  489    HA   ILE  61           HA       ILE  61   4.384  -4.258   8.995
  490    HB   ILE  61           HB       ILE  61   4.907  -3.969   6.011
  491   HG12  ILE  61          2HG1      ILE  61   3.107  -2.304   7.781
  492   HG13  ILE  61          1HG1      ILE  61   4.760  -1.845   7.408
  493   HG21  ILE  61          1HG2      ILE  61   2.356  -4.668   7.483
  494   HG22  ILE  61          2HG2      ILE  61   3.249  -5.703   6.368
  495   HG23  ILE  61          3HG2      ILE  61   2.442  -4.253   5.770
  496   HD11  ILE  61          3HD1      ILE  61   4.248  -1.590   5.095
  497   HD12  ILE  61          1HD1      ILE  61   3.033  -0.714   6.025
  498   HD13  ILE  61          2HD1      ILE  61   2.642  -2.282   5.320
  499    H    GLN  62           H        GLN  62   4.080  -6.334   9.491
  500    HA   GLN  62           HA       GLN  62   5.857  -8.412   8.345
  501    HB2  GLN  62           2HB      GLN  62   4.523  -8.116  11.041
  502    HB3  GLN  62           1HB      GLN  62   5.364  -9.573  10.530
  503    HG2  GLN  62           2HG      GLN  62   7.434  -8.301  10.297
  504    HG3  GLN  62           1HG      GLN  62   6.590  -6.837  10.802
  505   HE21  GLN  62          1HE2      GLN  62   6.189  -6.489  12.989
  506   HE22  GLN  62          2HE2      GLN  62   6.780  -7.544  14.222
  507    H    LYS  63           H        LYS  63   4.871 -10.704   8.563
  508    HA   LYS  63           HA       LYS  63   2.703 -10.985   6.889
  509    HB2  LYS  63           2HB      LYS  63   2.479 -13.329   7.667
  510    HB3  LYS  63           1HB      LYS  63   4.131 -12.885   7.260
  511    HG2  LYS  63           2HG      LYS  63   4.610 -12.570   9.657
  512    HG3  LYS  63           1HG      LYS  63   2.978 -13.133  10.027
  513    HD2  LYS  63           2HD      LYS  63   3.485 -15.268   8.910
  514    HD3  LYS  63           1HD      LYS  63   5.127 -14.702   8.600
  515    HE2  LYS  63           2HE      LYS  63   5.535 -14.528  10.993
  516    HE3  LYS  63           1HE      LYS  63   3.881 -15.036  11.326
  517    HZ1  LYS  63           3HZ      LYS  63   5.316 -16.904  11.581
  518    HZ2  LYS  63           1HZ      LYS  63   6.024 -16.655  10.064
  519    HZ3  LYS  63           2HZ      LYS  63   4.410 -17.148  10.176
  520    H    GLU  64           H        GLU  64   0.491 -11.282   7.041
  521    HA   GLU  64           HA       GLU  64  -1.620 -11.111   7.810
  522    HB2  GLU  64           2HB      GLU  64  -0.505 -11.976  10.479
  523    HB3  GLU  64           1HB      GLU  64  -2.212 -11.856  10.078
  524    HG2  GLU  64           2HG      GLU  64  -1.636 -13.499   8.165
  525    HG3  GLU  64           1HG      GLU  64  -0.175 -13.825   9.103
  526    H    SER  65           H        SER  65   0.316  -8.698   8.178
  527    HA   SER  65           HA       SER  65  -0.981  -7.150  10.266
  528    HB2  SER  65           2HB      SER  65   0.954  -6.460   8.047
  529    HB3  SER  65           1HB      SER  65   0.263  -5.235   9.108
  530    HG   SER  65           HG       SER  65   1.383  -6.030  10.779
  531    H    THR  66           H        THR  66  -2.364  -5.320   9.907
  532    HA   THR  66           HA       THR  66  -4.030  -5.510   7.468
  533    HB   THR  66           HB       THR  66  -4.779  -4.406  10.182
  534    HG1  THR  66           1HG      THR  66  -5.484  -6.355  10.718
  535   HG21  THR  66          3HG2      THR  66  -7.001  -4.440   9.504
  536   HG22  THR  66          1HG2      THR  66  -6.668  -5.490   8.127
  537   HG23  THR  66          2HG2      THR  66  -6.157  -3.803   8.094
  538    H    LEU  67           H        LEU  67  -3.962  -3.809   6.099
  539    HA   LEU  67           HA       LEU  67  -3.023  -1.167   7.016
  540    HB2  LEU  67           2HB      LEU  67  -3.228  -2.122   4.149
  541    HB3  LEU  67           1HB      LEU  67  -2.461  -0.662   4.744
  542    HG   LEU  67           HG       LEU  67  -0.891  -2.418   6.012
  543   HD11  LEU  67          1HD1      LEU  67  -1.985  -4.423   5.411
  544   HD12  LEU  67          2HD1      LEU  67  -0.444  -4.360   4.559
  545   HD13  LEU  67          3HD1      LEU  67  -1.942  -4.001   3.700
  546   HD21  LEU  67          3HD2      LEU  67   0.641  -2.364   4.062
  547   HD22  LEU  67          1HD2      LEU  67  -0.016  -0.788   4.506
  548   HD23  LEU  67          2HD2      LEU  67  -0.666  -1.654   3.112
  549    H    HIS  68           H        HIS  68  -4.241   0.692   6.214
  550    HA   HIS  68           HA       HIS  68  -7.070   0.086   5.610
  551    HB2  HIS  68           2HB      HIS  68  -5.800   2.414   7.072
  552    HB3  HIS  68           1HB      HIS  68  -7.501   2.344   6.644
  553    HD1  HIS  68           1HD      HIS  68  -4.948   0.668   8.850
  554    HD2  HIS  68           2HD      HIS  68  -9.073   0.892   8.403
  555    HE1  HIS  68           1HE      HIS  68  -5.902  -0.476  10.871
  556    H    LEU  69           H        LEU  69  -7.986   0.923   3.795
  557    HA   LEU  69           HA       LEU  69  -6.330   2.685   2.085
  558    HB2  LEU  69           2HB      LEU  69  -6.967   0.454   1.176
  559    HB3  LEU  69           1HB      LEU  69  -8.654   0.884   1.367
  560    HG   LEU  69           HG       LEU  69  -8.282   2.727  -0.282
  561   HD11  LEU  69          1HD1      LEU  69  -5.623   1.373  -0.670
  562   HD12  LEU  69          2HD1      LEU  69  -5.880   2.996  -0.031
  563   HD13  LEU  69          3HD1      LEU  69  -6.298   2.631  -1.705
  564   HD21  LEU  69          3HD2      LEU  69  -9.303   0.669  -0.992
  565   HD22  LEU  69          1HD2      LEU  69  -7.721  -0.087  -1.181
  566   HD23  LEU  69          2HD2      LEU  69  -8.199   1.234  -2.247
  567    H    VAL  70           H        VAL  70  -7.038   4.750   1.704
  568    HA   VAL  70           HA       VAL  70  -9.812   5.468   2.276
  569    HB   VAL  70           HB       VAL  70  -7.195   6.800   2.883
  570   HG11  VAL  70          1HG1      VAL  70  -8.377   8.609   1.727
  571   HG12  VAL  70          2HG1      VAL  70  -8.305   8.953   3.455
  572   HG13  VAL  70          3HG1      VAL  70  -9.798   8.346   2.738
  573   HG21  VAL  70          3HG2      VAL  70  -8.292   5.439   4.554
  574   HG22  VAL  70          1HG2      VAL  70  -9.640   6.578   4.570
  575   HG23  VAL  70          2HG2      VAL  70  -8.030   7.106   5.065
  576    H    LEU  71           H        LEU  71 -10.844   6.619   0.629
  577    HA   LEU  71           HA       LEU  71  -9.366   6.883  -1.901
  578    HB2  LEU  71           2HB      LEU  71 -12.348   6.832  -1.413
  579    HB3  LEU  71           1HB      LEU  71 -11.571   6.894  -2.984
  580    HG   LEU  71           HG       LEU  71 -11.195   4.596  -1.063
  581   HD11  LEU  71          1HD1      LEU  71 -13.568   4.815  -1.669
  582   HD12  LEU  71          2HD1      LEU  71 -12.832   3.367  -2.358
  583   HD13  LEU  71          3HD1      LEU  71 -13.122   4.778  -3.376
  584   HD21  LEU  71          3HD2      LEU  71 -10.361   3.419  -2.992
  585   HD22  LEU  71          1HD2      LEU  71  -9.474   4.933  -2.815
  586   HD23  LEU  71          2HD2      LEU  71 -10.735   4.789  -4.038
  587    H    ARG  72           H        ARG  72  -9.127   8.786  -2.961
  588    HA   ARG  72           HA       ARG  72  -9.857  11.231  -1.530
  589    HB2  ARG  72           2HB      ARG  72  -8.068  10.699  -3.899
  590    HB3  ARG  72           1HB      ARG  72  -8.414  12.316  -3.295
  591    HG2  ARG  72           2HG      ARG  72  -7.334  11.905  -1.249
  592    HG3  ARG  72           1HG      ARG  72  -7.284  10.165  -1.535
  593    HD2  ARG  72           2HD      ARG  72  -5.104  10.914  -1.946
  594    HD3  ARG  72           1HD      ARG  72  -5.815  10.695  -3.540
  595    HE   ARG  72           HE       ARG  72  -6.277  13.301  -3.096
  596   HH11  ARG  72          1HH1      ARG  72  -3.252  11.464  -2.777
  597   HH12  ARG  72          2HH1      ARG  72  -2.271  12.846  -3.118
  598   HH21  ARG  72          1HH2      ARG  72  -4.936  15.058  -3.534
  599   HH22  ARG  72          2HH2      ARG  72  -3.215  14.866  -3.546
  600    H    LEU  73           H        LEU  73 -10.452  13.173  -3.042
  601    HA   LEU  73           HA       LEU  73 -12.052  12.537  -5.363
  602    HB2  LEU  73           2HB      LEU  73 -13.505  12.034  -3.336
  603    HB3  LEU  73           1HB      LEU  73 -13.483  13.756  -3.007
  604    HG   LEU  73           HG       LEU  73 -14.459  14.093  -5.328
  605   HD11  LEU  73          1HD1      LEU  73 -15.647  12.138  -6.277
  606   HD12  LEU  73          2HD1      LEU  73 -14.815  11.109  -5.110
  607   HD13  LEU  73          3HD1      LEU  73 -13.891  11.984  -6.331
  608   HD21  LEU  73          3HD2      LEU  73 -16.030  12.574  -3.250
  609   HD22  LEU  73          1HD2      LEU  73 -16.748  13.418  -4.622
  610   HD23  LEU  73          2HD2      LEU  73 -15.862  14.324  -3.394
  611    H    ARG  74           H        ARG  74 -11.771  14.156  -6.788
  612    HA   ARG  74           HA       ARG  74 -11.593  16.941  -5.847
  613    HB2  ARG  74           2HB      ARG  74  -9.621  15.590  -7.703
  614    HB3  ARG  74           1HB      ARG  74  -9.699  17.324  -7.422
  615    HG2  ARG  74           2HG      ARG  74  -9.237  15.331  -5.218
  616    HG3  ARG  74           1HG      ARG  74  -7.930  16.062  -6.148
  617    HD2  ARG  74           2HD      ARG  74  -8.872  18.307  -5.484
  618    HD3  ARG  74           1HD      ARG  74  -9.927  17.442  -4.367
  619    HE   ARG  74           HE       ARG  74  -8.153  17.163  -2.962
  620   HH11  ARG  74          1HH1      ARG  74  -6.780  18.044  -6.115
  621   HH12  ARG  74          2HH1      ARG  74  -5.179  18.195  -5.481
  622   HH21  ARG  74          1HH2      ARG  74  -6.035  17.382  -2.198
  623   HH22  ARG  74          2HH2      ARG  74  -4.758  17.824  -3.282
  624    H    GLY  75           H        GLY  75 -12.425  18.473  -7.267
  625    HA2  GLY  75           2HA      GLY  75 -13.089  17.810 -10.003
  626    HA3  GLY  75           1HA      GLY  75 -14.490  17.890  -8.948
  627    H    GLY  76           H        GLY  76 -15.475  19.831  -8.746
  628    HA2  GLY  76           2HA      GLY  76 -14.457  22.296  -8.261
  629    HA3  GLY  76           1HA      GLY  76 -14.301  22.166 -10.005
  Start of MODEL    3
    1    H1   MET   1           1HT      MET   1   5.898 -13.442   2.086
    2    H2   MET   1           2HT      MET   1   5.090 -12.099   1.392
    3    H3   MET   1           3HT      MET   1   4.543 -13.688   1.068
    4    HA   MET   1           HA       MET   1   3.953 -14.002   3.307
    5    HB2  MET   1           2HB      MET   1   4.052 -12.068   4.885
    6    HB3  MET   1           1HB      MET   1   5.634 -12.628   4.387
    7    HG2  MET   1           2HG      MET   1   5.822 -10.757   2.836
    8    HG3  MET   1           1HG      MET   1   4.206 -10.220   3.290
    9    HE1  MET   1           2HE      MET   1   5.359  -7.457   5.442
   10    HE2  MET   1           3HE      MET   1   4.047  -8.211   4.537
   11    HE3  MET   1           1HE      MET   1   5.540  -7.758   3.714
   12    H    GLN   2           H        GLN   2   1.829 -13.442   4.059
   13    HA   GLN   2           HA       GLN   2   0.190 -12.016   2.069
   14    HB2  GLN   2           2HB      GLN   2  -0.541 -13.861   4.351
   15    HB3  GLN   2           1HB      GLN   2  -1.714 -13.071   3.307
   16    HG2  GLN   2           2HG      GLN   2  -0.859 -14.250   1.384
   17    HG3  GLN   2           1HG      GLN   2   0.419 -14.972   2.361
   18   HE21  GLN   2          1HE2      GLN   2  -3.072 -14.918   1.769
   19   HE22  GLN   2          2HE2      GLN   2  -3.386 -16.452   2.498
   20    H    ILE   3           H        ILE   3  -1.100 -10.274   2.548
   21    HA   ILE   3           HA       ILE   3  -1.079  -9.168   5.267
   22    HB   ILE   3           HB       ILE   3  -0.756  -6.898   4.425
   23   HG12  ILE   3          2HG1      ILE   3   0.176  -8.044   1.779
   24   HG13  ILE   3          1HG1      ILE   3  -1.480  -7.494   2.000
   25   HG21  ILE   3          1HG2      ILE   3   1.128  -8.083   5.322
   26   HG22  ILE   3          2HG2      ILE   3   1.666  -7.093   3.964
   27   HG23  ILE   3          3HG2      ILE   3   1.456  -8.834   3.759
   28   HD11  ILE   3          3HD1      ILE   3  -0.830  -5.280   2.297
   29   HD12  ILE   3          1HD1      ILE   3   0.186  -5.868   0.981
   30   HD13  ILE   3          2HD1      ILE   3   0.848  -5.721   2.609
   31    H    PHE   4           H        PHE   4  -2.942  -7.458   5.529
   32    HA   PHE   4           HA       PHE   4  -5.197  -8.091   3.729
   33    HB2  PHE   4           2HB      PHE   4  -5.247  -7.622   6.720
   34    HB3  PHE   4           1HB      PHE   4  -6.654  -7.855   5.710
   35    HD1  PHE   4           1HD      PHE   4  -7.174 -10.048   4.760
   36    HD2  PHE   4           2HD      PHE   4  -3.846  -9.489   7.358
   37    HE1  PHE   4           1HE      PHE   4  -7.026 -12.480   5.090
   38    HE2  PHE   4           2HE      PHE   4  -3.694 -11.921   7.690
   39    HZ   PHE   4           HZ       PHE   4  -5.285 -13.421   6.556
   40    H    VAL   5           H        VAL   5  -6.426  -6.366   3.006
   41    HA   VAL   5           HA       VAL   5  -5.750  -3.666   4.048
   42    HB   VAL   5           HB       VAL   5  -6.598  -4.286   1.195
   43   HG11  VAL   5          1HG1      VAL   5  -7.252  -2.025   2.065
   44   HG12  VAL   5          2HG1      VAL   5  -6.118  -1.956   0.718
   45   HG13  VAL   5          3HG1      VAL   5  -5.546  -1.695   2.366
   46   HG21  VAL   5          3HG2      VAL   5  -4.352  -5.107   1.502
   47   HG22  VAL   5          1HG2      VAL   5  -3.871  -3.620   2.325
   48   HG23  VAL   5          2HG2      VAL   5  -4.271  -3.591   0.604
   49    H    LYS   6           H        LYS   6  -7.458  -2.645   4.982
   50    HA   LYS   6           HA       LYS   6 -10.174  -3.690   4.523
   51    HB2  LYS   6           2HB      LYS   6  -8.745  -2.617   6.878
   52    HB3  LYS   6           1HB      LYS   6 -10.357  -1.942   6.698
   53    HG2  LYS   6           2HG      LYS   6 -11.403  -3.976   6.992
   54    HG3  LYS   6           1HG      LYS   6  -9.972  -4.912   6.561
   55    HD2  LYS   6           2HD      LYS   6 -10.120  -5.189   8.869
   56    HD3  LYS   6           1HD      LYS   6  -8.908  -3.957   8.668
   57    HE2  LYS   6           2HE      LYS   6 -10.366  -2.230   9.332
   58    HE3  LYS   6           1HE      LYS   6 -11.793  -3.248   9.137
   59    HZ1  LYS   6           3HZ      LYS   6 -10.927  -4.620  10.996
   60    HZ2  LYS   6           1HZ      LYS   6 -11.328  -3.038  11.446
   61    HZ3  LYS   6           2HZ      LYS   6  -9.707  -3.473  11.235
   62    H    THR   7           H        THR   7 -11.731  -2.430   3.605
   63    HA   THR   7           HA       THR   7 -10.965   0.259   2.717
   64    HB   THR   7           HB       THR   7 -12.638   0.075   1.012
   65    HG1  THR   7           1HG      THR   7 -14.375  -0.919   1.762
   66   HG21  THR   7          3HG2      THR   7 -11.372  -2.641   1.161
   67   HG22  THR   7          1HG2      THR   7 -10.583  -1.188   0.549
   68   HG23  THR   7          2HG2      THR   7 -12.008  -1.829  -0.270
   69    H    LEU   8           H        LEU   8 -12.654   1.973   2.695
   70    HA   LEU   8           HA       LEU   8 -13.686   2.623   5.191
   71    HB2  LEU   8           2HB      LEU   8 -14.939   3.391   2.550
   72    HB3  LEU   8           1HB      LEU   8 -15.215   4.200   4.079
   73    HG   LEU   8           HG       LEU   8 -12.539   4.062   2.710
   74   HD11  LEU   8          1HD1      LEU   8 -14.592   6.259   2.713
   75   HD12  LEU   8          2HD1      LEU   8 -14.053   5.318   1.322
   76   HD13  LEU   8          3HD1      LEU   8 -12.937   6.422   2.126
   77   HD21  LEU   8          3HD2      LEU   8 -11.980   5.911   4.258
   78   HD22  LEU   8          1HD2      LEU   8 -12.325   4.394   5.089
   79   HD23  LEU   8          2HD2      LEU   8 -13.539   5.674   5.050
   80    H    THR   9           H        THR   9 -15.689   1.170   2.533
   81    HA   THR   9           HA       THR   9 -18.015   0.973   4.051
   82    HB   THR   9           HB       THR   9 -18.920  -0.454   2.325
   83    HG1  THR   9           1HG      THR   9 -17.711  -1.627   1.017
   84   HG21  THR   9          3HG2      THR   9 -18.627   0.817   0.375
   85   HG22  THR   9          1HG2      THR   9 -17.012   1.335   0.857
   86   HG23  THR   9          2HG2      THR   9 -18.427   1.952   1.711
   87    H    GLY  10           H        GLY  10 -15.249  -0.917   4.664
   88    HA2  GLY  10           2HA      GLY  10 -15.178  -2.356   6.518
   89    HA3  GLY  10           1HA      GLY  10 -16.852  -2.784   6.252
   90    H    LYS  11           H        LYS  11 -15.122  -2.914   3.277
   91    HA   LYS  11           HA       LYS  11 -15.244  -5.802   3.302
   92    HB2  LYS  11           2HB      LYS  11 -15.819  -4.319   1.294
   93    HB3  LYS  11           1HB      LYS  11 -14.093  -4.083   1.100
   94    HG2  LYS  11           2HG      LYS  11 -13.805  -6.511   0.835
   95    HG3  LYS  11           1HG      LYS  11 -15.552  -6.718   0.989
   96    HD2  LYS  11           2HD      LYS  11 -15.919  -5.393  -1.004
   97    HD3  LYS  11           1HD      LYS  11 -14.191  -5.058  -1.132
   98    HE2  LYS  11           2HE      LYS  11 -14.663  -6.784  -2.686
   99    HE3  LYS  11           1HE      LYS  11 -13.837  -7.543  -1.326
  100    HZ1  LYS  11           3HZ      LYS  11 -15.998  -8.243  -0.471
  101    HZ2  LYS  11           1HZ      LYS  11 -15.721  -8.859  -2.023
  102    HZ3  LYS  11           2HZ      LYS  11 -16.768  -7.548  -1.808
  103    H    THR  12           H        THR  12 -13.418  -7.217   3.212
  104    HA   THR  12           HA       THR  12 -10.770  -5.964   3.716
  105    HB   THR  12           HB       THR  12 -11.682  -8.699   4.662
  106    HG1  THR  12           1HG      THR  12 -12.306  -7.805   6.486
  107   HG21  THR  12          3HG2      THR  12  -9.247  -8.501   4.534
  108   HG22  THR  12          1HG2      THR  12  -9.786  -8.566   6.211
  109   HG23  THR  12          2HG2      THR  12  -9.308  -7.026   5.498
  110    H    ILE  13           H        ILE  13  -9.230  -6.373   2.237
  111    HA   ILE  13           HA       ILE  13  -9.617  -8.577   0.295
  112    HB   ILE  13           HB       ILE  13  -7.721  -6.268  -0.226
  113   HG12  ILE  13          2HG1      ILE  13 -10.596  -6.235  -1.176
  114   HG13  ILE  13          1HG1      ILE  13 -10.049  -5.338   0.234
  115   HG21  ILE  13          1HG2      ILE  13  -7.995  -6.893  -2.531
  116   HG22  ILE  13          2HG2      ILE  13  -9.283  -8.024  -2.116
  117   HG23  ILE  13          3HG2      ILE  13  -7.631  -8.338  -1.587
  118   HD11  ILE  13          3HD1      ILE  13 -10.203  -3.994  -1.843
  119   HD12  ILE  13          1HD1      ILE  13  -8.907  -4.981  -2.521
  120   HD13  ILE  13          2HD1      ILE  13  -8.606  -3.988  -1.094
  121    H    THR  14           H        THR  14  -7.943 -10.079   0.004
  122    HA   THR  14           HA       THR  14  -5.661  -9.871   1.861
  123    HB   THR  14           HB       THR  14  -6.562 -12.369   0.410
  124    HG1  THR  14           1HG      THR  14  -8.306 -12.059   1.599
  125   HG21  THR  14          3HG2      THR  14  -4.863 -11.858   2.828
  126   HG22  THR  14          1HG2      THR  14  -4.438 -12.711   1.344
  127   HG23  THR  14          2HG2      THR  14  -5.577 -13.433   2.481
  128    H    LEU  15           H        LEU  15  -3.625  -9.650   1.059
  129    HA   LEU  15           HA       LEU  15  -3.247 -10.046  -1.854
  130    HB2  LEU  15           2HB      LEU  15  -2.033  -7.849  -0.174
  131    HB3  LEU  15           1HB      LEU  15  -1.745  -8.109  -1.883
  132    HG   LEU  15           HG       LEU  15  -4.467  -7.462  -0.745
  133   HD11  LEU  15          1HD1      LEU  15  -2.395  -5.614  -1.918
  134   HD12  LEU  15          2HD1      LEU  15  -3.023  -5.596  -0.270
  135   HD13  LEU  15          3HD1      LEU  15  -4.079  -5.182  -1.620
  136   HD21  LEU  15          3HD2      LEU  15  -4.499  -8.578  -2.914
  137   HD22  LEU  15          1HD2      LEU  15  -3.376  -7.380  -3.558
  138   HD23  LEU  15          2HD2      LEU  15  -4.999  -6.894  -3.066
  139    H    GLU  16           H        GLU  16  -1.282 -10.870  -2.548
  140    HA   GLU  16           HA       GLU  16   0.475 -12.025  -0.477
  141    HB2  GLU  16           2HB      GLU  16  -0.498 -13.503  -2.324
  142    HB3  GLU  16           1HB      GLU  16   0.525 -12.622  -3.452
  143    HG2  GLU  16           2HG      GLU  16   2.507 -13.383  -2.329
  144    HG3  GLU  16           1HG      GLU  16   1.543 -14.142  -1.064
  145    H    VAL  17           H        VAL  17   2.350 -10.908  -0.074
  146    HA   VAL  17           HA       VAL  17   3.545  -9.238  -2.201
  147    HB   VAL  17           HB       VAL  17   3.904  -7.417  -0.541
  148   HG11  VAL  17          1HG1      VAL  17   2.122  -7.204  -2.128
  149   HG12  VAL  17          2HG1      VAL  17   1.557  -6.600  -0.571
  150   HG13  VAL  17          3HG1      VAL  17   1.055  -8.195  -1.135
  151   HG21  VAL  17          3HG2      VAL  17   1.985  -8.994   1.195
  152   HG22  VAL  17          1HG2      VAL  17   2.542  -7.350   1.512
  153   HG23  VAL  17          2HG2      VAL  17   3.687  -8.692   1.544
  154    H    GLU  18           H        GLU  18   5.746  -8.424  -1.586
  155    HA   GLU  18           HA       GLU  18   7.232 -10.284   0.181
  156    HB2  GLU  18           2HB      GLU  18   8.107  -8.918  -2.388
  157    HB3  GLU  18           1HB      GLU  18   9.214  -9.738  -1.295
  158    HG2  GLU  18           2HG      GLU  18   6.860 -11.114  -2.555
  159    HG3  GLU  18           1HG      GLU  18   8.449 -11.039  -3.317
  160    HA   PRO  19           HA       PRO  19   8.140  -6.676   2.612
  161    HB2  PRO  19           2HB      PRO  19  10.959  -7.516   2.984
  162    HB3  PRO  19           1HB      PRO  19   9.689  -7.193   4.172
  163    HG2  PRO  19           2HG      PRO  19  10.458  -9.705   3.595
  164    HG3  PRO  19           1HG      PRO  19   8.775  -9.304   3.971
  165    HD2  PRO  19           2HD      PRO  19  10.033  -9.811   1.283
  166    HD3  PRO  19           1HD      PRO  19   8.450 -10.329   1.911
  167    H    SER  20           H        SER  20  10.381  -7.370  -0.037
  168    HA   SER  20           HA       SER  20  11.522  -4.706  -0.065
  169    HB2  SER  20           2HB      SER  20  12.607  -5.537  -2.199
  170    HB3  SER  20           1HB      SER  20  12.987  -6.448  -0.739
  171    HG   SER  20           HG       SER  20  12.194  -7.506  -2.889
  172    H    ASP  21           H        ASP  21   8.457  -5.714  -1.022
  173    HA   ASP  21           HA       ASP  21   8.273  -4.467  -3.597
  174    HB2  ASP  21           2HB      ASP  21   6.232  -5.474  -1.620
  175    HB3  ASP  21           1HB      ASP  21   5.734  -4.558  -3.036
  176    H    THR  22           H        THR  22   7.505  -2.408  -4.087
  177    HA   THR  22           HA       THR  22   7.699  -0.386  -2.006
  178    HB   THR  22           HB       THR  22   7.510   1.231  -3.812
  179    HG1  THR  22           1HG      THR  22   7.218   0.591  -5.907
  180   HG21  THR  22          3HG2      THR  22   9.473  -0.973  -4.371
  181   HG22  THR  22          1HG2      THR  22   9.739   0.505  -3.447
  182   HG23  THR  22          2HG2      THR  22   9.480   0.589  -5.190
  183    H    ILE  23           H        ILE  23   6.044   1.270  -1.704
  184    HA   ILE  23           HA       ILE  23   3.406   0.272  -1.328
  185    HB   ILE  23           HB       ILE  23   4.444   3.103  -1.393
  186   HG12  ILE  23          2HG1      ILE  23   5.466   1.741   0.326
  187   HG13  ILE  23          1HG1      ILE  23   4.422   2.945   1.061
  188   HG21  ILE  23          1HG2      ILE  23   1.782   2.192  -0.321
  189   HG22  ILE  23          2HG2      ILE  23   2.029   3.161  -1.773
  190   HG23  ILE  23          3HG2      ILE  23   2.450   3.819  -0.191
  191   HD11  ILE  23          3HD1      ILE  23   3.859   0.004   0.759
  192   HD12  ILE  23          1HD1      ILE  23   2.677   1.185   1.324
  193   HD13  ILE  23          2HD1      ILE  23   4.152   0.900   2.249
  194    H    GLU  24           H        GLU  24   4.774   2.219  -4.022
  195    HA   GLU  24           HA       GLU  24   2.383   2.639  -5.513
  196    HB2  GLU  24           2HB      GLU  24   3.739   3.538  -7.108
  197    HB3  GLU  24           1HB      GLU  24   4.927   3.463  -5.829
  198    HG2  GLU  24           2HG      GLU  24   5.479   1.121  -6.915
  199    HG3  GLU  24           1HG      GLU  24   4.712   1.840  -8.326
  200    H    ASN  25           H        ASN  25   4.531  -0.199  -5.342
  201    HA   ASN  25           HA       ASN  25   3.190  -1.680  -7.432
  202    HB2  ASN  25           2HB      ASN  25   5.141  -2.420  -5.264
  203    HB3  ASN  25           1HB      ASN  25   4.278  -3.698  -6.138
  204   HD21  ASN  25          1HD2      ASN  25   7.107  -1.943  -6.113
  205   HD22  ASN  25          2HD2      ASN  25   7.545  -2.129  -7.773
  206    H    VAL  26           H        VAL  26   2.756  -1.543  -3.896
  207    HA   VAL  26           HA       VAL  26   0.739  -3.572  -3.750
  208    HB   VAL  26           HB       VAL  26   1.225  -1.196  -1.901
  209   HG11  VAL  26          1HG1      VAL  26  -0.025  -2.481  -0.198
  210   HG12  VAL  26          2HG1      VAL  26  -0.448  -3.674  -1.427
  211   HG13  VAL  26          3HG1      VAL  26  -1.045  -2.020  -1.561
  212   HG21  VAL  26          3HG2      VAL  26   2.488  -2.647  -0.538
  213   HG22  VAL  26          1HG2      VAL  26   3.084  -2.865  -2.181
  214   HG23  VAL  26          2HG2      VAL  26   2.007  -4.067  -1.467
  215    H    LYS  27           H        LYS  27   0.487  -0.033  -4.320
  216    HA   LYS  27           HA       LYS  27  -2.343   0.069  -4.419
  217    HB2  LYS  27           2HB      LYS  27  -0.348   1.761  -5.963
  218    HB3  LYS  27           1HB      LYS  27  -2.055   2.125  -5.790
  219    HG2  LYS  27           2HG      LYS  27  -1.305   2.063  -3.159
  220    HG3  LYS  27           1HG      LYS  27   0.199   2.635  -3.944
  221    HD2  LYS  27           2HD      LYS  27  -1.290   4.306  -5.134
  222    HD3  LYS  27           1HD      LYS  27  -2.513   3.879  -3.937
  223    HE2  LYS  27           2HE      LYS  27   0.274   4.771  -3.208
  224    HE3  LYS  27           1HE      LYS  27  -1.080   5.888  -3.388
  225    HZ1  LYS  27           3HZ      LYS  27  -2.264   4.591  -1.673
  226    HZ2  LYS  27           1HZ      LYS  27  -0.846   5.311  -1.095
  227    HZ3  LYS  27           2HZ      LYS  27  -0.873   3.658  -1.444
  228    H    ALA  28           H        ALA  28   0.073  -0.664  -6.953
  229    HA   ALA  28           HA       ALA  28  -1.720  -0.737  -9.141
  230    HB1  ALA  28           1HB      ALA  28   0.636  -0.651  -9.584
  231    HB2  ALA  28           2HB      ALA  28  -0.005  -2.133 -10.293
  232    HB3  ALA  28           3HB      ALA  28   0.894  -2.198  -8.777
  233    H    LYS  29           H        LYS  29  -0.791  -3.247  -6.796
  234    HA   LYS  29           HA       LYS  29  -2.230  -5.458  -7.990
  235    HB2  LYS  29           2HB      LYS  29  -1.377  -4.954  -5.127
  236    HB3  LYS  29           1HB      LYS  29  -2.086  -6.456  -5.697
  237    HG2  LYS  29           2HG      LYS  29  -0.202  -7.031  -6.940
  238    HG3  LYS  29           1HG      LYS  29   0.420  -5.380  -6.942
  239    HD2  LYS  29           2HD      LYS  29   1.182  -5.524  -4.743
  240    HD3  LYS  29           1HD      LYS  29   0.118  -6.873  -4.351
  241    HE2  LYS  29           2HE      LYS  29   2.122  -7.938  -4.478
  242    HE3  LYS  29           1HE      LYS  29   1.577  -8.133  -6.149
  243    HZ1  LYS  29           3HZ      LYS  29   3.855  -7.415  -6.120
  244    HZ2  LYS  29           1HZ      LYS  29   3.485  -6.093  -5.131
  245    HZ3  LYS  29           2HZ      LYS  29   2.902  -6.152  -6.717
  246    H    ILE  30           H        ILE  30  -3.155  -2.937  -5.637
  247    HA   ILE  30           HA       ILE  30  -5.789  -4.019  -5.148
  248    HB   ILE  30           HB       ILE  30  -4.649  -1.250  -4.669
  249   HG12  ILE  30          2HG1      ILE  30  -5.387  -3.541  -2.828
  250   HG13  ILE  30          1HG1      ILE  30  -3.757  -3.109  -3.324
  251   HG21  ILE  30          1HG2      ILE  30  -7.425  -2.292  -4.044
  252   HG22  ILE  30          2HG2      ILE  30  -6.998  -0.846  -4.957
  253   HG23  ILE  30          3HG2      ILE  30  -6.716  -0.904  -3.219
  254   HD11  ILE  30          3HD1      ILE  30  -5.539  -1.865  -1.319
  255   HD12  ILE  30          1HD1      ILE  30  -4.457  -0.796  -2.216
  256   HD13  ILE  30          2HD1      ILE  30  -3.796  -2.137  -1.279
  257    H    GLN  31           H        GLN  31  -4.525  -1.653  -7.540
  258    HA   GLN  31           HA       GLN  31  -7.004  -0.896  -8.755
  259    HB2  GLN  31           2HB      GLN  31  -4.843   0.252  -9.225
  260    HB3  GLN  31           1HB      GLN  31  -4.245  -1.200 -10.010
  261    HG2  GLN  31           2HG      GLN  31  -5.886  -0.943 -11.783
  262    HG3  GLN  31           1HG      GLN  31  -6.585   0.452 -10.967
  263   HE21  GLN  31          1HE2      GLN  31  -3.214  -0.521 -11.764
  264   HE22  GLN  31          2HE2      GLN  31  -2.827   0.958 -12.565
  265    H    ASP  32           H        ASP  32  -4.799  -3.621  -9.388
  266    HA   ASP  32           HA       ASP  32  -6.191  -4.724 -11.616
  267    HB2  ASP  32           2HB      ASP  32  -4.546  -6.259  -9.593
  268    HB3  ASP  32           1HB      ASP  32  -4.932  -6.776 -11.236
  269    H    LYS  33           H        LYS  33  -6.541  -5.393  -8.126
  270    HA   LYS  33           HA       LYS  33  -8.538  -7.446  -8.549
  271    HB2  LYS  33           2HB      LYS  33  -7.823  -6.013  -5.987
  272    HB3  LYS  33           1HB      LYS  33  -8.677  -7.535  -6.107
  273    HG2  LYS  33           2HG      LYS  33  -6.206  -7.931  -7.433
  274    HG3  LYS  33           1HG      LYS  33  -5.838  -7.025  -5.970
  275    HD2  LYS  33           2HD      LYS  33  -6.903  -8.712  -4.606
  276    HD3  LYS  33           1HD      LYS  33  -7.440  -9.580  -6.046
  277    HE2  LYS  33           2HE      LYS  33  -5.025  -9.846  -6.668
  278    HE3  LYS  33           1HE      LYS  33  -4.611  -9.186  -5.087
  279    HZ1  LYS  33           3HZ      LYS  33  -6.305 -11.591  -5.471
  280    HZ2  LYS  33           1HZ      LYS  33  -5.663 -11.011  -4.016
  281    HZ3  LYS  33           2HZ      LYS  33  -4.638 -11.652  -5.199
  282    H    GLU  34           H        GLU  34  -8.718  -4.056  -7.430
  283    HA   GLU  34           HA       GLU  34 -11.667  -4.289  -7.428
  284    HB2  GLU  34           2HB      GLU  34  -9.805  -2.580  -5.806
  285    HB3  GLU  34           1HB      GLU  34 -11.557  -2.385  -5.801
  286    HG2  GLU  34           2HG      GLU  34 -10.277  -5.026  -5.268
  287    HG3  GLU  34           1HG      GLU  34 -10.446  -3.827  -3.955
  288    H    GLY  35           H        GLY  35  -9.294  -2.754  -9.332
  289    HA2  GLY  35           2HA      GLY  35  -9.590  -1.349 -11.097
  290    HA3  GLY  35           1HA      GLY  35 -11.289  -1.261 -10.706
  291    H    ILE  36           H        ILE  36  -9.263  -0.303  -8.094
  292    HA   ILE  36           HA       ILE  36 -10.072   2.480  -8.373
  293    HB   ILE  36           HB       ILE  36  -8.332   1.273  -6.195
  294   HG12  ILE  36          2HG1      ILE  36 -11.287   1.711  -5.769
  295   HG13  ILE  36          1HG1      ILE  36 -10.751   0.232  -6.550
  296   HG21  ILE  36          1HG2      ILE  36  -8.408   3.773  -6.419
  297   HG22  ILE  36          2HG2      ILE  36  -8.954   3.161  -4.857
  298   HG23  ILE  36          3HG2      ILE  36 -10.132   3.696  -6.055
  299   HD11  ILE  36          3HD1      ILE  36 -11.105   0.160  -4.048
  300   HD12  ILE  36          1HD1      ILE  36  -9.629   1.117  -3.920
  301   HD13  ILE  36          2HD1      ILE  36  -9.582  -0.484  -4.661
  302    HA   PRO  37           HA       PRO  37  -6.049   3.310 -10.395
  303    HB2  PRO  37           2HB      PRO  37  -6.693   6.201 -10.092
  304    HB3  PRO  37           1HB      PRO  37  -6.398   5.267 -11.564
  305    HG2  PRO  37           2HG      PRO  37  -8.847   6.138 -10.927
  306    HG3  PRO  37           1HG      PRO  37  -8.595   4.571 -11.719
  307    HD2  PRO  37           2HD      PRO  37  -9.107   5.155  -8.814
  308    HD3  PRO  37           1HD      PRO  37  -9.828   3.913  -9.858
  309    HA   PRO  38           HA       PRO  38  -3.472   3.959  -6.824
  310    HB2  PRO  38           2HB      PRO  38  -1.395   5.140  -8.653
  311    HB3  PRO  38           1HB      PRO  38  -1.255   3.773  -7.540
  312    HG2  PRO  38           2HG      PRO  38  -1.405   3.382 -10.160
  313    HG3  PRO  38           1HG      PRO  38  -2.230   2.294  -9.030
  314    HD2  PRO  38           2HD      PRO  38  -3.367   4.507 -10.705
  315    HD3  PRO  38           1HD      PRO  38  -4.019   2.889 -10.376
  316    H    ASP  39           H        ASP  39  -3.780   6.739  -9.038
  317    HA   ASP  39           HA       ASP  39  -2.765   8.608  -7.174
  318    HB2  ASP  39           2HB      ASP  39  -4.420   8.980  -9.668
  319    HB3  ASP  39           1HB      ASP  39  -3.931  10.338  -8.620
  320    H    GLN  40           H        GLN  40  -5.863   7.040  -7.224
  321    HA   GLN  40           HA       GLN  40  -7.110   9.132  -5.584
  322    HB2  GLN  40           2HB      GLN  40  -8.261   6.690  -6.939
  323    HB3  GLN  40           1HB      GLN  40  -9.181   7.766  -5.899
  324    HG2  GLN  40           2HG      GLN  40  -8.422   9.623  -7.501
  325    HG3  GLN  40           1HG      GLN  40  -7.983   8.305  -8.586
  326   HE21  GLN  40          1HE2      GLN  40  -9.504   8.370 -10.172
  327   HE22  GLN  40          2HE2      GLN  40 -11.206   8.340  -9.886
  328    H    GLN  41           H        GLN  41  -5.216   6.424  -5.036
  329    HA   GLN  41           HA       GLN  41  -6.697   5.426  -2.688
  330    HB2  GLN  41           2HB      GLN  41  -4.492   4.339  -4.402
  331    HB3  GLN  41           1HB      GLN  41  -4.854   3.628  -2.835
  332    HG2  GLN  41           2HG      GLN  41  -7.218   3.348  -3.634
  333    HG3  GLN  41           1HG      GLN  41  -6.647   3.813  -5.236
  334   HE21  GLN  41          1HE2      GLN  41  -6.104   2.157  -6.541
  335   HE22  GLN  41          2HE2      GLN  41  -5.595   0.597  -6.004
  336    H    ARG  42           H        ARG  42  -6.011   5.687  -0.612
  337    HA   ARG  42           HA       ARG  42  -3.279   6.655  -0.131
  338    HB2  ARG  42           2HB      ARG  42  -5.764   7.398   1.443
  339    HB3  ARG  42           1HB      ARG  42  -4.124   7.867   1.868
  340    HG2  ARG  42           2HG      ARG  42  -3.985   9.109  -0.276
  341    HG3  ARG  42           1HG      ARG  42  -5.686   8.729  -0.554
  342    HD2  ARG  42           2HD      ARG  42  -6.362   9.970   1.361
  343    HD3  ARG  42           1HD      ARG  42  -4.698  10.143   1.912
  344    HE   ARG  42           HE       ARG  42  -5.275  11.328  -0.673
  345   HH11  ARG  42          1HH1      ARG  42  -5.083  11.995   2.813
  346   HH12  ARG  42          2HH1      ARG  42  -4.882  13.694   2.567
  347   HH21  ARG  42          1HH2      ARG  42  -5.013  13.555  -0.914
  348   HH22  ARG  42          2HH2      ARG  42  -4.843  14.571   0.478
  349    H    LEU  43           H        LEU  43  -2.114   5.303   1.213
  350    HA   LEU  43           HA       LEU  43  -3.607   3.158   2.603
  351    HB2  LEU  43           2HB      LEU  43  -0.793   3.242   1.490
  352    HB3  LEU  43           1HB      LEU  43  -1.430   1.956   2.503
  353    HG   LEU  43           HG       LEU  43  -2.604   2.704  -0.180
  354   HD11  LEU  43          1HD1      LEU  43  -0.301   1.895  -0.426
  355   HD12  LEU  43          2HD1      LEU  43  -1.476   0.754  -1.079
  356   HD13  LEU  43          3HD1      LEU  43  -0.721   0.445   0.485
  357   HD21  LEU  43          3HD2      LEU  43  -3.005   0.313   1.619
  358   HD22  LEU  43          1HD2      LEU  43  -3.676   0.490  -0.002
  359   HD23  LEU  43          2HD2      LEU  43  -4.180   1.584   1.286
  360    H    ILE  44           H        ILE  44  -3.523   2.983   4.747
  361    HA   ILE  44           HA       ILE  44  -1.629   4.661   6.286
  362    HB   ILE  44           HB       ILE  44  -4.369   3.905   7.308
  363   HG12  ILE  44          2HG1      ILE  44  -4.591   5.174   5.075
  364   HG13  ILE  44          1HG1      ILE  44  -5.501   5.715   6.462
  365   HG21  ILE  44          1HG2      ILE  44  -4.111   5.708   8.825
  366   HG22  ILE  44          2HG2      ILE  44  -2.653   6.269   8.004
  367   HG23  ILE  44          3HG2      ILE  44  -2.644   4.729   8.864
  368   HD11  ILE  44          3HD1      ILE  44  -4.739   7.614   5.287
  369   HD12  ILE  44          1HD1      ILE  44  -3.086   7.002   5.224
  370   HD13  ILE  44          2HD1      ILE  44  -3.780   7.510   6.764
  371    H    PHE  45           H        PHE  45  -0.481   3.656   7.857
  372    HA   PHE  45           HA       PHE  45  -1.384   1.052   8.877
  373    HB2  PHE  45           2HB      PHE  45   0.345   0.629   7.137
  374    HB3  PHE  45           1HB      PHE  45   1.472   1.647   8.019
  375    HD1  PHE  45           1HD      PHE  45  -0.721  -1.324   8.560
  376    HD2  PHE  45           2HD      PHE  45   2.976   0.586   9.460
  377    HE1  PHE  45           1HE      PHE  45  -0.034  -3.281   9.882
  378    HE2  PHE  45           2HE      PHE  45   3.670  -1.372  10.779
  379    HZ   PHE  45           HZ       PHE  45   2.161  -3.306  10.995
  380    H    ALA  46           H        ALA  46  -1.452   1.124  11.112
  381    HA   ALA  46           HA       ALA  46  -1.281   1.976  13.230
  382    HB1  ALA  46           1HB      ALA  46   1.144   2.356  13.937
  383    HB2  ALA  46           2HB      ALA  46   1.567   1.923  12.280
  384    HB3  ALA  46           3HB      ALA  46   0.719   0.764  13.304
  385    H    GLY  47           H        GLY  47  -2.323   3.907  11.617
  386    HA2  GLY  47           2HA      GLY  47  -2.899   6.110  11.743
  387    HA3  GLY  47           1HA      GLY  47  -1.737   6.298  13.036
  388    H    LYS  48           H        LYS  48  -0.029   5.114  10.355
  389    HA   LYS  48           HA       LYS  48   0.770   7.853   9.575
  390    HB2  LYS  48           2HB      LYS  48   2.438   5.371   9.201
  391    HB3  LYS  48           1HB      LYS  48   2.974   7.033   9.107
  392    HG2  LYS  48           2HG      LYS  48   2.697   7.306  11.502
  393    HG3  LYS  48           1HG      LYS  48   2.056   5.666  11.632
  394    HD2  LYS  48           2HD      LYS  48   4.245   4.863  10.665
  395    HD3  LYS  48           1HD      LYS  48   4.848   6.508  10.880
  396    HE2  LYS  48           2HE      LYS  48   4.402   6.368  13.273
  397    HE3  LYS  48           1HE      LYS  48   3.757   4.741  13.070
  398    HZ1  LYS  48           3HZ      LYS  48   5.987   4.565  13.830
  399    HZ2  LYS  48           1HZ      LYS  48   6.557   5.625  12.640
  400    HZ3  LYS  48           2HZ      LYS  48   5.981   4.095  12.205
  401    H    GLN  49           H        GLN  49   0.795   8.509   7.454
  402    HA   GLN  49           HA       GLN  49  -0.516   6.813   5.481
  403    HB2  GLN  49           2HB      GLN  49  -0.646   9.434   5.798
  404    HB3  GLN  49           1HB      GLN  49   0.792   9.448   4.789
  405    HG2  GLN  49           2HG      GLN  49  -0.362   8.479   2.966
  406    HG3  GLN  49           1HG      GLN  49  -1.751   8.072   3.970
  407   HE21  GLN  49          1HE2      GLN  49  -0.080  10.645   2.259
  408   HE22  GLN  49          2HE2      GLN  49  -1.368  11.791   2.364
  409    H    LEU  50           H        LEU  50   0.563   5.527   3.989
  410    HA   LEU  50           HA       LEU  50   3.458   5.369   4.130
  411    HB2  LEU  50           2HB      LEU  50   1.646   3.715   2.376
  412    HB3  LEU  50           1HB      LEU  50   3.288   3.364   2.858
  413    HG   LEU  50           HG       LEU  50   0.920   3.443   4.729
  414   HD11  LEU  50          1HD1      LEU  50   0.709   1.601   3.175
  415   HD12  LEU  50          2HD1      LEU  50   1.126   0.996   4.778
  416   HD13  LEU  50          3HD1      LEU  50   2.360   1.087   3.523
  417   HD21  LEU  50          3HD2      LEU  50   3.792   2.631   5.148
  418   HD22  LEU  50          1HD2      LEU  50   2.495   2.251   6.278
  419   HD23  LEU  50          2HD2      LEU  50   2.916   3.932   5.952
  420    H    GLU  51           H        GLU  51   4.928   5.996   2.572
  421    HA   GLU  51           HA       GLU  51   3.922   7.592   0.331
  422    HB2  GLU  51           2HB      GLU  51   6.697   7.196   1.470
  423    HB3  GLU  51           1HB      GLU  51   6.379   8.151   0.026
  424    HG2  GLU  51           2HG      GLU  51   5.265   9.805   1.179
  425    HG3  GLU  51           1HG      GLU  51   4.955   8.782   2.582
  426    H    ASP  52           H        ASP  52   4.277   7.249  -1.840
  427    HA   ASP  52           HA       ASP  52   4.333   4.586  -2.723
  428    HB2  ASP  52           2HB      ASP  52   4.633   7.156  -4.278
  429    HB3  ASP  52           1HB      ASP  52   4.479   5.565  -5.023
  430    H    GLY  53           H        GLY  53   7.043   6.797  -2.329
  431    HA2  GLY  53           2HA      GLY  53   8.820   5.157  -3.958
  432    HA3  GLY  53           1HA      GLY  53   9.254   6.596  -3.062
  433    H    ARG  54           H        ARG  54   7.667   4.642  -0.838
  434    HA   ARG  54           HA       ARG  54  10.231   3.510   0.131
  435    HB2  ARG  54           2HB      ARG  54   7.661   4.090   1.628
  436    HB3  ARG  54           1HB      ARG  54   9.089   3.361   2.337
  437    HG2  ARG  54           2HG      ARG  54   8.782   6.190   1.330
  438    HG3  ARG  54           1HG      ARG  54   8.994   5.645   2.980
  439    HD2  ARG  54           2HD      ARG  54  11.253   4.879   2.478
  440    HD3  ARG  54           1HD      ARG  54  11.059   5.367   0.795
  441    HE   ARG  54           HE       ARG  54  11.466   7.531   1.405
  442   HH11  ARG  54          1HH1      ARG  54  10.785   5.759   4.406
  443   HH12  ARG  54          2HH1      ARG  54  11.221   7.101   5.406
  444   HH21  ARG  54          1HH2      ARG  54  12.021   9.242   2.772
  445   HH22  ARG  54          2HH2      ARG  54  11.914   9.057   4.491
  446    H    THR  55           H        THR  55  10.060   1.413   1.352
  447    HA   THR  55           HA       THR  55   8.299  -0.493  -0.089
  448    HB   THR  55           HB       THR  55   9.862  -2.239   0.502
  449    HG1  THR  55           1HG      THR  55  11.438  -1.982   1.908
  450   HG21  THR  55          3HG2      THR  55  11.289   0.139  -0.651
  451   HG22  THR  55          1HG2      THR  55  10.467  -1.151  -1.527
  452   HG23  THR  55          2HG2      THR  55  11.938  -1.501  -0.621
  453    H    LEU  56           H        LEU  56   7.607  -2.422   1.117
  454    HA   LEU  56           HA       LEU  56   6.103  -1.830   3.431
  455    HB2  LEU  56           2HB      LEU  56   7.010  -4.521   2.412
  456    HB3  LEU  56           1HB      LEU  56   5.774  -4.271   3.634
  457    HG   LEU  56           HG       LEU  56   5.583  -3.340   0.766
  458   HD11  LEU  56          1HD1      LEU  56   4.092  -5.163   0.391
  459   HD12  LEU  56          2HD1      LEU  56   4.162  -5.638   2.089
  460   HD13  LEU  56          3HD1      LEU  56   5.587  -5.810   1.065
  461   HD21  LEU  56          3HD2      LEU  56   3.646  -3.280   3.080
  462   HD22  LEU  56          1HD2      LEU  56   3.138  -3.101   1.401
  463   HD23  LEU  56          2HD2      LEU  56   4.230  -1.921   2.122
  464    H    SER  57           H        SER  57   9.364  -3.228   3.222
  465    HA   SER  57           HA       SER  57   9.540  -4.006   5.968
  466    HB2  SER  57           2HB      SER  57  11.935  -4.249   5.625
  467    HB3  SER  57           1HB      SER  57  11.025  -5.007   4.290
  468    HG   SER  57           HG       SER  57  12.576  -2.660   4.309
  469    H    ASP  58           H        ASP  58  10.189  -0.962   4.271
  470    HA   ASP  58           HA       ASP  58  11.717   0.328   6.273
  471    HB2  ASP  58           2HB      ASP  58   9.828   1.531   4.232
  472    HB3  ASP  58           1HB      ASP  58  10.930   2.467   5.229
  473    H    TYR  59           H        TYR  59   8.242  -0.224   6.073
  474    HA   TYR  59           HA       TYR  59   7.748   1.473   8.431
  475    HB2  TYR  59           2HB      TYR  59   5.896   0.127   6.444
  476    HB3  TYR  59           1HB      TYR  59   5.310   0.894   7.917
  477    HD1  TYR  59           1HD      TYR  59   5.396   3.324   8.175
  478    HD2  TYR  59           2HD      TYR  59   6.723   1.455   4.590
  479    HE1  TYR  59           1HE      TYR  59   5.341   5.497   7.029
  480    HE2  TYR  59           2HE      TYR  59   6.671   3.624   3.436
  481    HH   TYR  59           HH       TYR  59   6.869   6.166   4.282
  482    H    ASN  60           H        ASN  60   8.916  -1.532   8.194
  483    HA   ASN  60           HA       ASN  60   8.918  -3.428   9.383
  484    HB2  ASN  60           2HB      ASN  60   7.791  -1.572  11.492
  485    HB3  ASN  60           1HB      ASN  60   8.340  -3.212  11.827
  486   HD21  ASN  60          1HD2      ASN  60   9.313   0.062  11.090
  487   HD22  ASN  60          2HD2      ASN  60  11.003  -0.186  11.350
  488    H    ILE  61           H        ILE  61   6.740  -3.258   7.624
  489    HA   ILE  61           HA       ILE  61   4.384  -4.270   9.016
  490    HB   ILE  61           HB       ILE  61   4.913  -3.979   6.035
  491   HG12  ILE  61          2HG1      ILE  61   3.115  -2.314   7.805
  492   HG13  ILE  61          1HG1      ILE  61   4.769  -1.857   7.432
  493   HG21  ILE  61          1HG2      ILE  61   2.337  -4.639   7.485
  494   HG22  ILE  61          2HG2      ILE  61   3.248  -5.720   6.430
  495   HG23  ILE  61          3HG2      ILE  61   2.471  -4.285   5.761
  496   HD11  ILE  61          3HD1      ILE  61   4.096  -1.938   4.993
  497   HD12  ILE  61          1HD1      ILE  61   3.420  -0.629   5.962
  498   HD13  ILE  61          2HD1      ILE  61   2.431  -2.034   5.564
  499    H    GLN  62           H        GLN  62   4.074  -6.348   9.512
  500    HA   GLN  62           HA       GLN  62   5.851  -8.425   8.363
  501    HB2  GLN  62           2HB      GLN  62   4.500  -8.177  11.060
  502    HB3  GLN  62           1HB      GLN  62   5.399  -9.591  10.533
  503    HG2  GLN  62           2HG      GLN  62   6.550  -6.822  10.813
  504    HG3  GLN  62           1HG      GLN  62   6.689  -8.103  12.017
  505   HE21  GLN  62          1HE2      GLN  62   8.606  -6.566  10.057
  506   HE22  GLN  62          2HE2      GLN  62   9.575  -7.849   9.427
  507    H    LYS  63           H        LYS  63   4.863 -10.720   8.582
  508    HA   LYS  63           HA       LYS  63   2.696 -10.996   6.904
  509    HB2  LYS  63           2HB      LYS  63   2.465 -13.339   7.678
  510    HB3  LYS  63           1HB      LYS  63   4.118 -12.898   7.275
  511    HG2  LYS  63           2HG      LYS  63   4.635 -12.630   9.645
  512    HG3  LYS  63           1HG      LYS  63   2.980 -13.087  10.055
  513    HD2  LYS  63           2HD      LYS  63   3.341 -15.267   8.962
  514    HD3  LYS  63           1HD      LYS  63   5.011 -14.804   8.627
  515    HE2  LYS  63           2HE      LYS  63   5.488 -14.657  10.987
  516    HE3  LYS  63           1HE      LYS  63   3.798 -14.968  11.382
  517    HZ1  LYS  63           3HZ      LYS  63   5.014 -16.978  11.658
  518    HZ2  LYS  63           1HZ      LYS  63   5.715 -16.850  10.123
  519    HZ3  LYS  63           2HZ      LYS  63   4.059 -17.156  10.273
  520    H    GLU  64           H        GLU  64   0.481 -11.289   7.054
  521    HA   GLU  64           HA       GLU  64  -1.632 -11.115   7.820
  522    HB2  GLU  64           2HB      GLU  64  -0.527 -11.986  10.492
  523    HB3  GLU  64           1HB      GLU  64  -2.232 -11.865  10.082
  524    HG2  GLU  64           2HG      GLU  64  -1.650 -13.505   8.172
  525    HG3  GLU  64           1HG      GLU  64  -0.190 -13.831   9.111
  526    H    SER  65           H        SER  65   0.302  -8.704   8.193
  527    HA   SER  65           HA       SER  65  -0.998  -7.158  10.283
  528    HB2  SER  65           2HB      SER  65   0.939  -6.464   8.065
  529    HB3  SER  65           1HB      SER  65   0.248  -5.242   9.130
  530    HG   SER  65           HG       SER  65   1.290  -6.150  10.844
  531    H    THR  66           H        THR  66  -2.380  -5.328   9.926
  532    HA   THR  66           HA       THR  66  -4.042  -5.512   7.483
  533    HB   THR  66           HB       THR  66  -4.798  -4.409  10.195
  534    HG1  THR  66           1HG      THR  66  -5.518  -6.356  10.725
  535   HG21  THR  66          3HG2      THR  66  -6.544  -5.358   7.928
  536   HG22  THR  66          1HG2      THR  66  -6.240  -3.669   8.337
  537   HG23  THR  66          2HG2      THR  66  -7.086  -4.714   9.479
  538    H    LEU  67           H        LEU  67  -3.965  -3.810   6.119
  539    HA   LEU  67           HA       LEU  67  -3.023  -1.171   7.044
  540    HB2  LEU  67           2HB      LEU  67  -3.227  -2.121   4.174
  541    HB3  LEU  67           1HB      LEU  67  -2.466  -0.659   4.770
  542    HG   LEU  67           HG       LEU  67  -0.895  -2.419   6.041
  543   HD11  LEU  67          1HD1      LEU  67  -1.919  -3.984   3.704
  544   HD12  LEU  67          2HD1      LEU  67  -1.992  -4.420   5.411
  545   HD13  LEU  67          3HD1      LEU  67  -0.436  -4.351   4.586
  546   HD21  LEU  67          3HD2      LEU  67   0.642  -2.351   4.087
  547   HD22  LEU  67          1HD2      LEU  67  -0.008  -0.779   4.558
  548   HD23  LEU  67          2HD2      LEU  67  -0.663  -1.619   3.151
  549    H    HIS  68           H        HIS  68  -4.243   0.693   6.248
  550    HA   HIS  68           HA       HIS  68  -7.073   0.081   5.645
  551    HB2  HIS  68           2HB      HIS  68  -5.803   2.416   7.089
  552    HB3  HIS  68           1HB      HIS  68  -7.503   2.347   6.673
  553    HD1  HIS  68           1HD      HIS  68  -4.938   0.834   8.942
  554    HD2  HIS  68           2HD      HIS  68  -9.054   0.760   8.382
  555    HE1  HIS  68           1HE      HIS  68  -5.863  -0.332  10.960
  556    H    LEU  69           H        LEU  69  -7.992   0.917   3.821
  557    HA   LEU  69           HA       LEU  69  -6.325   2.676   2.119
  558    HB2  LEU  69           2HB      LEU  69  -6.971   0.453   1.198
  559    HB3  LEU  69           1HB      LEU  69  -8.657   0.891   1.387
  560    HG   LEU  69           HG       LEU  69  -8.262   2.746  -0.248
  561   HD11  LEU  69          1HD1      LEU  69  -6.257   2.531  -1.703
  562   HD12  LEU  69          2HD1      LEU  69  -5.596   1.386  -0.537
  563   HD13  LEU  69          3HD1      LEU  69  -5.898   3.056  -0.059
  564   HD21  LEU  69          3HD2      LEU  69  -8.341   1.326  -2.197
  565   HD22  LEU  69          1HD2      LEU  69  -9.254   0.581  -0.885
  566   HD23  LEU  69          2HD2      LEU  69  -7.640  -0.010  -1.283
  567    H    VAL  70           H        VAL  70  -7.018   4.749   1.752
  568    HA   VAL  70           HA       VAL  70  -9.780   5.484   2.336
  569    HB   VAL  70           HB       VAL  70  -7.147   6.798   2.921
  570   HG11  VAL  70          1HG1      VAL  70  -8.260   8.942   3.549
  571   HG12  VAL  70          2HG1      VAL  70  -9.751   8.344   2.821
  572   HG13  VAL  70          3HG1      VAL  70  -8.331   8.626   1.814
  573   HG21  VAL  70          3HG2      VAL  70  -8.304   5.400   4.587
  574   HG22  VAL  70          1HG2      VAL  70  -9.525   6.671   4.703
  575   HG23  VAL  70          2HG2      VAL  70  -7.841   7.016   5.117
  576    H    LEU  71           H        LEU  71 -10.821   6.549   0.655
  577    HA   LEU  71           HA       LEU  71  -9.333   6.830  -1.865
  578    HB2  LEU  71           2HB      LEU  71 -12.317   6.785  -1.382
  579    HB3  LEU  71           1HB      LEU  71 -11.534   6.824  -2.951
  580    HG   LEU  71           HG       LEU  71 -11.169   4.552  -0.998
  581   HD11  LEU  71          1HD1      LEU  71 -13.534   4.731  -1.592
  582   HD12  LEU  71          2HD1      LEU  71 -12.792   3.306  -2.318
  583   HD13  LEU  71          3HD1      LEU  71 -13.105   4.735  -3.303
  584   HD21  LEU  71          3HD2      LEU  71 -10.330   3.346  -2.904
  585   HD22  LEU  71          1HD2      LEU  71  -9.441   4.862  -2.748
  586   HD23  LEU  71          2HD2      LEU  71 -10.700   4.701  -3.973
  587    H    ARG  72           H        ARG  72  -9.024   8.729  -2.887
  588    HA   ARG  72           HA       ARG  72  -9.868  11.187  -1.530
  589    HB2  ARG  72           2HB      ARG  72  -7.475  10.729  -2.299
  590    HB3  ARG  72           1HB      ARG  72  -8.058  10.963  -3.939
  591    HG2  ARG  72           2HG      ARG  72  -8.792  13.234  -3.328
  592    HG3  ARG  72           1HG      ARG  72  -8.128  12.989  -1.710
  593    HD2  ARG  72           2HD      ARG  72  -5.909  12.691  -2.637
  594    HD3  ARG  72           1HD      ARG  72  -6.546  12.833  -4.274
  595    HE   ARG  72           HE       ARG  72  -7.286  15.178  -3.188
  596   HH11  ARG  72          1HH1      ARG  72  -4.100  13.602  -3.221
  597   HH12  ARG  72          2HH1      ARG  72  -3.254  15.108  -3.149
  598   HH21  ARG  72          1HH2      ARG  72  -6.114  17.104  -3.100
  599   HH22  ARG  72          2HH2      ARG  72  -4.383  17.074  -3.083
  600    H    LEU  73           H        LEU  73 -10.897  12.944  -2.671
  601    HA   LEU  73           HA       LEU  73 -12.024  12.433  -5.313
  602    HB2  LEU  73           2HB      LEU  73 -13.531  11.498  -3.386
  603    HB3  LEU  73           1HB      LEU  73 -13.969  13.178  -3.144
  604    HG   LEU  73           HG       LEU  73 -14.254  11.778  -5.805
  605   HD11  LEU  73          1HD1      LEU  73 -15.632  10.613  -4.174
  606   HD12  LEU  73          2HD1      LEU  73 -16.634  11.549  -5.284
  607   HD13  LEU  73          3HD1      LEU  73 -16.333  12.145  -3.652
  608   HD21  LEU  73          3HD2      LEU  73 -15.905  13.645  -6.162
  609   HD22  LEU  73          1HD2      LEU  73 -14.214  14.137  -6.067
  610   HD23  LEU  73          2HD2      LEU  73 -15.280  14.376  -4.682
  611    H    ARG  74           H        ARG  74 -11.567  14.246  -6.422
  612    HA   ARG  74           HA       ARG  74 -12.177  16.873  -5.240
  613    HB2  ARG  74           2HB      ARG  74  -9.572  16.206  -6.632
  614    HB3  ARG  74           1HB      ARG  74 -10.064  17.802  -6.086
  615    HG2  ARG  74           2HG      ARG  74  -9.697  15.461  -4.233
  616    HG3  ARG  74           1HG      ARG  74  -8.419  16.612  -4.618
  617    HD2  ARG  74           2HD      ARG  74  -9.936  18.434  -3.817
  618    HD3  ARG  74           1HD      ARG  74 -11.051  17.184  -3.265
  619    HE   ARG  74           HE       ARG  74  -8.634  18.027  -1.995
  620   HH11  ARG  74          1HH1      ARG  74 -10.753  15.198  -2.327
  621   HH12  ARG  74          2HH1      ARG  74 -10.224  14.510  -0.832
  622   HH21  ARG  74          1HH2      ARG  74  -7.984  17.070  -0.056
  623   HH22  ARG  74          2HH2      ARG  74  -8.670  15.560   0.445
  624    H    GLY  75           H        GLY  75 -12.843  18.445  -6.723
  625    HA2  GLY  75           2HA      GLY  75 -12.523  18.640  -9.412
  626    HA3  GLY  75           1HA      GLY  75 -13.792  17.434  -9.269
  627    H    GLY  76           H        GLY  76 -15.640  18.148  -7.676
  628    HA2  GLY  76           2HA      GLY  76 -17.234  19.687  -7.027
  629    HA3  GLY  76           1HA      GLY  76 -16.146  20.980  -7.505
  Start of MODEL    4
    1    H1   MET   1           1HT      MET   1   5.928 -13.387   2.125
    2    H2   MET   1           2HT      MET   1   5.095 -12.070   1.409
    3    H3   MET   1           3HT      MET   1   4.574 -13.674   1.113
    4    HA   MET   1           HA       MET   1   3.971 -13.962   3.343
    5    HB2  MET   1           2HB      MET   1   4.056 -12.011   4.908
    6    HB3  MET   1           1HB      MET   1   5.640 -12.584   4.429
    7    HG2  MET   1           2HG      MET   1   5.822 -10.728   2.835
    8    HG3  MET   1           1HG      MET   1   4.231 -10.161   3.341
    9    HE1  MET   1           2HE      MET   1   5.840  -7.359   5.165
   10    HE2  MET   1           3HE      MET   1   4.217  -8.043   5.059
   11    HE3  MET   1           1HE      MET   1   5.216  -7.917   3.611
   12    H    GLN   2           H        GLN   2   1.842 -13.412   4.077
   13    HA   GLN   2           HA       GLN   2   0.204 -11.995   2.076
   14    HB2  GLN   2           2HB      GLN   2  -0.531 -13.839   4.359
   15    HB3  GLN   2           1HB      GLN   2  -1.700 -13.058   3.301
   16    HG2  GLN   2           2HG      GLN   2  -0.832 -14.245   1.392
   17    HG3  GLN   2           1HG      GLN   2   0.452 -14.951   2.373
   18   HE21  GLN   2          1HE2      GLN   2  -3.062 -14.891   1.855
   19   HE22  GLN   2          2HE2      GLN   2  -3.352 -16.441   2.558
   20    H    ILE   3           H        ILE   3  -1.129 -10.279   2.561
   21    HA   ILE   3           HA       ILE   3  -1.108  -9.165   5.275
   22    HB   ILE   3           HB       ILE   3  -0.794  -6.892   4.427
   23   HG12  ILE   3          2HG1      ILE   3   0.156  -8.046   1.793
   24   HG13  ILE   3          1HG1      ILE   3  -1.506  -7.506   2.001
   25   HG21  ILE   3          1HG2      ILE   3   1.083  -8.067   5.339
   26   HG22  ILE   3          2HG2      ILE   3   1.630  -7.082   3.984
   27   HG23  ILE   3          3HG2      ILE   3   1.427  -8.824   3.784
   28   HD11  ILE   3          3HD1      ILE   3  -0.868  -5.288   2.301
   29   HD12  ILE   3          1HD1      ILE   3   0.146  -5.874   0.981
   30   HD13  ILE   3          2HD1      ILE   3   0.814  -5.720   2.608
   31    H    PHE   4           H        PHE   4  -2.974  -7.454   5.525
   32    HA   PHE   4           HA       PHE   4  -5.233  -8.104   3.732
   33    HB2  PHE   4           2HB      PHE   4  -5.271  -7.612   6.719
   34    HB3  PHE   4           1HB      PHE   4  -6.685  -7.855   5.719
   35    HD1  PHE   4           1HD      PHE   4  -7.204 -10.057   4.793
   36    HD2  PHE   4           2HD      PHE   4  -3.861  -9.470   7.362
   37    HE1  PHE   4           1HE      PHE   4  -7.046 -12.487   5.136
   38    HE2  PHE   4           2HE      PHE   4  -3.698 -11.901   7.711
   39    HZ   PHE   4           HZ       PHE   4  -5.291 -13.413   6.595
   40    H    VAL   5           H        VAL   5  -6.460  -6.383   2.991
   41    HA   VAL   5           HA       VAL   5  -5.780  -3.665   3.993
   42    HB   VAL   5           HB       VAL   5  -6.699  -4.311   1.167
   43   HG11  VAL   5          1HG1      VAL   5  -7.227  -2.017   2.072
   44   HG12  VAL   5          2HG1      VAL   5  -6.209  -2.018   0.634
   45   HG13  VAL   5          3HG1      VAL   5  -5.491  -1.744   2.220
   46   HG21  VAL   5          3HG2      VAL   5  -4.497  -5.218   1.348
   47   HG22  VAL   5          1HG2      VAL   5  -3.908  -3.785   2.201
   48   HG23  VAL   5          2HG2      VAL   5  -4.361  -3.683   0.493
   49    H    LYS   6           H        LYS   6  -7.483  -2.645   4.933
   50    HA   LYS   6           HA       LYS   6 -10.202  -3.676   4.472
   51    HB2  LYS   6           2HB      LYS   6  -8.841  -2.380   6.804
   52    HB3  LYS   6           1HB      LYS   6 -10.556  -2.039   6.592
   53    HG2  LYS   6           2HG      LYS   6 -10.779  -4.627   6.434
   54    HG3  LYS   6           1HG      LYS   6  -9.193  -4.647   7.197
   55    HD2  LYS   6           2HD      LYS   6 -11.668  -3.318   8.310
   56    HD3  LYS   6           1HD      LYS   6 -11.018  -4.870   8.823
   57    HE2  LYS   6           2HE      LYS   6  -8.851  -3.507   9.313
   58    HE3  LYS   6           1HE      LYS   6  -9.939  -2.120   9.286
   59    HZ1  LYS   6           3HZ      LYS   6 -10.092  -4.479  11.077
   60    HZ2  LYS   6           1HZ      LYS   6 -11.300  -3.300  10.974
   61    HZ3  LYS   6           2HZ      LYS   6  -9.753  -2.882  11.518
   62    H    THR   7           H        THR   7 -11.725  -2.414   3.498
   63    HA   THR   7           HA       THR   7 -10.929   0.274   2.627
   64    HB   THR   7           HB       THR   7 -12.593   0.116   0.909
   65    HG1  THR   7           1HG      THR   7 -13.454  -2.298   2.147
   66   HG21  THR   7          3HG2      THR   7 -11.338  -2.606   1.030
   67   HG22  THR   7          1HG2      THR   7 -10.517  -1.147   0.476
   68   HG23  THR   7          2HG2      THR   7 -11.926  -1.754  -0.397
   69    H    LEU   8           H        LEU   8 -12.635   1.995   2.582
   70    HA   LEU   8           HA       LEU   8 -13.666   2.685   5.062
   71    HB2  LEU   8           2HB      LEU   8 -15.039   3.362   2.458
   72    HB3  LEU   8           1HB      LEU   8 -15.187   4.235   3.966
   73    HG   LEU   8           HG       LEU   8 -12.653   4.040   2.345
   74   HD11  LEU   8          1HD1      LEU   8 -14.704   6.226   2.545
   75   HD12  LEU   8          2HD1      LEU   8 -14.267   5.303   1.107
   76   HD13  LEU   8          3HD1      LEU   8 -13.107   6.421   1.824
   77   HD21  LEU   8          3HD2      LEU   8 -13.334   5.820   4.679
   78   HD22  LEU   8          1HD2      LEU   8 -11.803   5.765   3.804
   79   HD23  LEU   8          2HD2      LEU   8 -12.317   4.383   4.771
   80    H    THR   9           H        THR   9 -15.673   1.148   2.458
   81    HA   THR   9           HA       THR   9 -17.973   0.930   4.011
   82    HB   THR   9           HB       THR   9 -18.881  -0.528   2.326
   83    HG1  THR   9           1HG      THR   9 -16.202  -0.889   1.440
   84   HG21  THR   9          3HG2      THR   9 -18.633   0.708   0.347
   85   HG22  THR   9          1HG2      THR   9 -17.008   1.234   0.784
   86   HG23  THR   9          2HG2      THR   9 -18.403   1.870   1.654
   87    H    GLY  10           H        GLY  10 -15.170  -0.877   4.652
   88    HA2  GLY  10           2HA      GLY  10 -15.016  -2.289   6.507
   89    HA3  GLY  10           1HA      GLY  10 -16.704  -2.720   6.321
   90    H    LYS  11           H        LYS  11 -15.093  -2.925   3.283
   91    HA   LYS  11           HA       LYS  11 -15.220  -5.809   3.358
   92    HB2  LYS  11           2HB      LYS  11 -15.822  -4.363   1.334
   93    HB3  LYS  11           1HB      LYS  11 -14.100  -4.118   1.119
   94    HG2  LYS  11           2HG      LYS  11 -13.829  -6.588   0.939
   95    HG3  LYS  11           1HG      LYS  11 -15.587  -6.737   0.999
   96    HD2  LYS  11           2HD      LYS  11 -15.770  -5.351  -1.014
   97    HD3  LYS  11           1HD      LYS  11 -14.014  -5.203  -1.072
   98    HE2  LYS  11           2HE      LYS  11 -14.596  -6.898  -2.622
   99    HE3  LYS  11           1HE      LYS  11 -13.918  -7.716  -1.213
  100    HZ1  LYS  11           3HZ      LYS  11 -16.165  -8.179  -0.452
  101    HZ2  LYS  11           1HZ      LYS  11 -15.914  -8.822  -1.998
  102    HZ3  LYS  11           2HZ      LYS  11 -16.812  -7.401  -1.807
  103    H    THR  12           H        THR  12 -13.389  -7.228   3.231
  104    HA   THR  12           HA       THR  12 -10.737  -5.974   3.718
  105    HB   THR  12           HB       THR  12 -11.649  -8.704   4.674
  106    HG1  THR  12           1HG      THR  12 -12.256  -7.805   6.503
  107   HG21  THR  12          3HG2      THR  12  -9.311  -7.042   5.612
  108   HG22  THR  12          1HG2      THR  12  -9.185  -8.402   4.496
  109   HG23  THR  12          2HG2      THR  12  -9.746  -8.665   6.146
  110    H    ILE  13           H        ILE  13  -9.198  -6.383   2.240
  111    HA   ILE  13           HA       ILE  13  -9.586  -8.583   0.301
  112    HB   ILE  13           HB       ILE  13  -7.629  -6.344  -0.265
  113   HG12  ILE  13          2HG1      ILE  13 -10.563  -6.094  -0.978
  114   HG13  ILE  13          1HG1      ILE  13  -9.787  -5.210   0.330
  115   HG21  ILE  13          1HG2      ILE  13  -7.636  -8.295  -1.688
  116   HG22  ILE  13          2HG2      ILE  13  -8.196  -6.887  -2.590
  117   HG23  ILE  13          3HG2      ILE  13  -9.355  -8.086  -2.016
  118   HD11  ILE  13          3HD1      ILE  13  -8.314  -4.118  -1.273
  119   HD12  ILE  13          1HD1      ILE  13 -10.014  -3.827  -1.644
  120   HD13  ILE  13          2HD1      ILE  13  -9.094  -4.998  -2.588
  121    H    THR  14           H        THR  14  -7.918 -10.087   0.012
  122    HA   THR  14           HA       THR  14  -5.629  -9.885   1.866
  123    HB   THR  14           HB       THR  14  -6.512 -12.356   0.357
  124    HG1  THR  14           1HG      THR  14  -7.830 -12.883   2.011
  125   HG21  THR  14          3HG2      THR  14  -4.798 -11.872   2.762
  126   HG22  THR  14          1HG2      THR  14  -4.408 -12.741   1.277
  127   HG23  THR  14          2HG2      THR  14  -5.535 -13.442   2.440
  128    H    LEU  15           H        LEU  15  -3.613  -9.608   1.078
  129    HA   LEU  15           HA       LEU  15  -3.221  -9.869  -1.838
  130    HB2  LEU  15           2HB      LEU  15  -2.648  -7.634   0.034
  131    HB3  LEU  15           1HB      LEU  15  -1.376  -7.957  -1.121
  132    HG   LEU  15           HG       LEU  15  -3.254  -7.808  -2.911
  133   HD11  LEU  15          1HD1      LEU  15  -4.529  -6.207  -0.712
  134   HD12  LEU  15          2HD1      LEU  15  -5.133  -7.740  -1.343
  135   HD13  LEU  15          3HD1      LEU  15  -5.070  -6.318  -2.388
  136   HD21  LEU  15          3HD2      LEU  15  -2.264  -5.358  -1.471
  137   HD22  LEU  15          1HD2      LEU  15  -2.839  -5.432  -3.136
  138   HD23  LEU  15          2HD2      LEU  15  -1.366  -6.282  -2.674
  139    H    GLU  16           H        GLU  16  -1.304 -10.826  -2.529
  140    HA   GLU  16           HA       GLU  16   0.448 -12.000  -0.463
  141    HB2  GLU  16           2HB      GLU  16  -0.564 -13.458  -2.320
  142    HB3  GLU  16           1HB      GLU  16   0.498 -12.612  -3.436
  143    HG2  GLU  16           2HG      GLU  16   1.564 -14.001  -1.001
  144    HG3  GLU  16           1HG      GLU  16   1.257 -14.872  -2.503
  145    H    VAL  17           H        VAL  17   2.329 -10.895  -0.067
  146    HA   VAL  17           HA       VAL  17   3.524  -9.239  -2.204
  147    HB   VAL  17           HB       VAL  17   3.899  -7.414  -0.553
  148   HG11  VAL  17          1HG1      VAL  17   2.097  -7.241  -2.148
  149   HG12  VAL  17          2HG1      VAL  17   1.578  -6.565  -0.603
  150   HG13  VAL  17          3HG1      VAL  17   1.032  -8.169  -1.094
  151   HG21  VAL  17          3HG2      VAL  17   3.680  -8.685   1.536
  152   HG22  VAL  17          1HG2      VAL  17   1.973  -8.969   1.195
  153   HG23  VAL  17          2HG2      VAL  17   2.550  -7.332   1.507
  154    H    GLU  18           H        GLU  18   5.732  -8.430  -1.591
  155    HA   GLU  18           HA       GLU  18   7.215 -10.290   0.175
  156    HB2  GLU  18           2HB      GLU  18   8.096  -8.925  -2.391
  157    HB3  GLU  18           1HB      GLU  18   9.195  -9.755  -1.301
  158    HG2  GLU  18           2HG      GLU  18   6.833 -11.106  -2.572
  159    HG3  GLU  18           1HG      GLU  18   8.425 -11.046  -3.327
  160    HA   PRO  19           HA       PRO  19   8.118  -6.686   2.611
  161    HB2  PRO  19           2HB      PRO  19  10.935  -7.528   2.987
  162    HB3  PRO  19           1HB      PRO  19   9.665  -7.202   4.173
  163    HG2  PRO  19           2HG      PRO  19  10.436  -9.715   3.596
  164    HG3  PRO  19           1HG      PRO  19   8.753  -9.315   3.977
  165    HD2  PRO  19           2HD      PRO  19  10.002  -9.829   1.285
  166    HD3  PRO  19           1HD      PRO  19   8.415 -10.338   1.919
  167    H    SER  20           H        SER  20  10.363  -7.383  -0.036
  168    HA   SER  20           HA       SER  20  11.502  -4.716  -0.069
  169    HB2  SER  20           2HB      SER  20  12.577  -5.550  -2.206
  170    HB3  SER  20           1HB      SER  20  12.964  -6.453  -0.744
  171    HG   SER  20           HG       SER  20  12.155  -7.516  -2.894
  172    H    ASP  21           H        ASP  21   8.434  -5.723  -1.015
  173    HA   ASP  21           HA       ASP  21   8.239  -4.483  -3.592
  174    HB2  ASP  21           2HB      ASP  21   6.204  -5.485  -1.607
  175    HB3  ASP  21           1HB      ASP  21   5.700  -4.574  -3.020
  176    H    THR  22           H        THR  22   7.465  -2.430  -4.088
  177    HA   THR  22           HA       THR  22   7.671  -0.389  -2.020
  178    HB   THR  22           HB       THR  22   7.466   1.210  -3.847
  179    HG1  THR  22           1HG      THR  22   6.936   0.635  -5.837
  180   HG21  THR  22          3HG2      THR  22   9.692   0.610  -3.588
  181   HG22  THR  22          1HG2      THR  22   9.388   0.424  -5.315
  182   HG23  THR  22          2HG2      THR  22   9.439  -0.997  -4.269
  183    H    ILE  23           H        ILE  23   6.021   1.267  -1.709
  184    HA   ILE  23           HA       ILE  23   3.380   0.269  -1.319
  185    HB   ILE  23           HB       ILE  23   4.424   3.096  -1.374
  186   HG12  ILE  23          2HG1      ILE  23   5.438   1.716   0.336
  187   HG13  ILE  23          1HG1      ILE  23   4.410   2.931   1.075
  188   HG21  ILE  23          1HG2      ILE  23   1.756   2.190  -0.309
  189   HG22  ILE  23          2HG2      ILE  23   2.007   3.170  -1.754
  190   HG23  ILE  23          3HG2      ILE  23   2.431   3.812  -0.167
  191   HD11  ILE  23          3HD1      ILE  23   4.123   0.889   2.262
  192   HD12  ILE  23          1HD1      ILE  23   3.819  -0.004   0.773
  193   HD13  ILE  23          2HD1      ILE  23   2.648   1.185   1.342
  194    H    GLU  24           H        GLU  24   4.744   2.227  -4.007
  195    HA   GLU  24           HA       GLU  24   2.352   2.659  -5.496
  196    HB2  GLU  24           2HB      GLU  24   4.641   3.677  -5.978
  197    HB3  GLU  24           1HB      GLU  24   5.104   2.129  -6.667
  198    HG2  GLU  24           2HG      GLU  24   3.500   2.354  -8.423
  199    HG3  GLU  24           1HG      GLU  24   2.786   3.774  -7.658
  200    H    ASN  25           H        ASN  25   4.524  -0.169  -5.322
  201    HA   ASN  25           HA       ASN  25   3.194  -1.664  -7.409
  202    HB2  ASN  25           2HB      ASN  25   5.576  -2.076  -6.451
  203    HB3  ASN  25           1HB      ASN  25   4.753  -2.929  -5.149
  204   HD21  ASN  25          1HD2      ASN  25   4.344  -5.054  -5.447
  205   HD22  ASN  25          2HD2      ASN  25   4.381  -5.857  -6.977
  206    H    VAL  26           H        VAL  26   2.765  -1.495  -3.881
  207    HA   VAL  26           HA       VAL  26   0.767  -3.558  -3.715
  208    HB   VAL  26           HB       VAL  26   1.260  -1.171  -1.882
  209   HG11  VAL  26          1HG1      VAL  26  -0.010  -2.408  -0.171
  210   HG12  VAL  26          2HG1      VAL  26  -0.400  -3.650  -1.362
  211   HG13  VAL  26          3HG1      VAL  26  -1.023  -2.013  -1.562
  212   HG21  VAL  26          3HG2      VAL  26   3.110  -2.859  -2.156
  213   HG22  VAL  26          1HG2      VAL  26   2.028  -4.038  -1.412
  214   HG23  VAL  26          2HG2      VAL  26   2.528  -2.606  -0.512
  215    H    LYS  27           H        LYS  27   0.512  -0.023  -4.314
  216    HA   LYS  27           HA       LYS  27  -2.318   0.080  -4.413
  217    HB2  LYS  27           2HB      LYS  27  -0.295   1.744  -5.951
  218    HB3  LYS  27           1HB      LYS  27  -2.008   2.103  -5.864
  219    HG2  LYS  27           2HG      LYS  27  -1.384   2.148  -3.209
  220    HG3  LYS  27           1HG      LYS  27   0.158   2.679  -3.930
  221    HD2  LYS  27           2HD      LYS  27  -1.463   4.242  -5.321
  222    HD3  LYS  27           1HD      LYS  27  -2.494   4.001  -3.914
  223    HE2  LYS  27           2HE      LYS  27  -1.247   5.365  -2.638
  224    HE3  LYS  27           1HE      LYS  27   0.277   4.660  -3.198
  225    HZ1  LYS  27           3HZ      LYS  27   0.020   7.019  -3.784
  226    HZ2  LYS  27           1HZ      LYS  27  -1.350   6.644  -4.704
  227    HZ3  LYS  27           2HZ      LYS  27   0.165   6.041  -5.158
  228    H    ALA  28           H        ALA  28   0.093  -0.686  -6.943
  229    HA   ALA  28           HA       ALA  28  -1.705  -0.777  -9.123
  230    HB1  ALA  28           1HB      ALA  28   0.647  -0.692  -9.572
  231    HB2  ALA  28           2HB      ALA  28   0.006  -2.179 -10.269
  232    HB3  ALA  28           3HB      ALA  28   0.913  -2.233  -8.757
  233    H    LYS  29           H        LYS  29  -0.764  -3.270  -6.768
  234    HA   LYS  29           HA       LYS  29  -2.213  -5.481  -7.949
  235    HB2  LYS  29           2HB      LYS  29  -1.289  -4.979  -5.109
  236    HB3  LYS  29           1HB      LYS  29  -2.048  -6.473  -5.644
  237    HG2  LYS  29           2HG      LYS  29  -0.228  -7.024  -7.035
  238    HG3  LYS  29           1HG      LYS  29   0.462  -5.404  -6.905
  239    HD2  LYS  29           2HD      LYS  29   1.077  -5.760  -4.636
  240    HD3  LYS  29           1HD      LYS  29   0.135  -7.248  -4.546
  241    HE2  LYS  29           2HE      LYS  29   2.456  -6.921  -6.432
  242    HE3  LYS  29           1HE      LYS  29   2.656  -7.482  -4.773
  243    HZ1  LYS  29           3HZ      LYS  29   1.163  -9.320  -5.252
  244    HZ2  LYS  29           1HZ      LYS  29   2.474  -9.327  -6.321
  245    HZ3  LYS  29           2HZ      LYS  29   0.963  -8.777  -6.841
  246    H    ILE  30           H        ILE  30  -3.122  -2.959  -5.600
  247    HA   ILE  30           HA       ILE  30  -5.752  -4.030  -5.090
  248    HB   ILE  30           HB       ILE  30  -4.602  -1.259  -4.647
  249   HG12  ILE  30          2HG1      ILE  30  -5.350  -3.496  -2.744
  250   HG13  ILE  30          1HG1      ILE  30  -3.720  -3.138  -3.295
  251   HG21  ILE  30          1HG2      ILE  30  -6.655  -0.908  -3.166
  252   HG22  ILE  30          2HG2      ILE  30  -7.370  -2.293  -3.988
  253   HG23  ILE  30          3HG2      ILE  30  -6.952  -0.847  -4.905
  254   HD11  ILE  30          3HD1      ILE  30  -5.408  -1.738  -1.304
  255   HD12  ILE  30          1HD1      ILE  30  -4.276  -0.772  -2.253
  256   HD13  ILE  30          2HD1      ILE  30  -3.685  -2.113  -1.274
  257    H    GLN  31           H        GLN  31  -4.490  -1.676  -7.492
  258    HA   GLN  31           HA       GLN  31  -6.964  -0.915  -8.705
  259    HB2  GLN  31           2HB      GLN  31  -4.776   0.203  -9.168
  260    HB3  GLN  31           1HB      GLN  31  -4.214  -1.256  -9.969
  261    HG2  GLN  31           2HG      GLN  31  -6.199  -0.866 -11.575
  262    HG3  GLN  31           1HG      GLN  31  -6.261   0.749 -10.875
  263   HE21  GLN  31          1HE2      GLN  31  -5.502  -0.361 -13.636
  264   HE22  GLN  31          2HE2      GLN  31  -3.978   0.387 -13.961
  265    H    ASP  32           H        ASP  32  -4.768  -3.647  -9.342
  266    HA   ASP  32           HA       ASP  32  -6.168  -4.750 -11.570
  267    HB2  ASP  32           2HB      ASP  32  -4.524  -6.292  -9.545
  268    HB3  ASP  32           1HB      ASP  32  -4.915  -6.807 -11.187
  269    H    LYS  33           H        LYS  33  -6.509  -5.416  -8.078
  270    HA   LYS  33           HA       LYS  33  -8.511  -7.465  -8.492
  271    HB2  LYS  33           2HB      LYS  33  -7.792  -6.028  -5.935
  272    HB3  LYS  33           1HB      LYS  33  -8.645  -7.549  -6.052
  273    HG2  LYS  33           2HG      LYS  33  -6.179  -7.948  -7.385
  274    HG3  LYS  33           1HG      LYS  33  -5.805  -7.042  -5.923
  275    HD2  LYS  33           2HD      LYS  33  -6.898  -8.731  -4.565
  276    HD3  LYS  33           1HD      LYS  33  -7.385  -9.610  -6.016
  277    HE2  LYS  33           2HE      LYS  33  -4.980  -9.885  -6.581
  278    HE3  LYS  33           1HE      LYS  33  -4.571  -9.139  -5.036
  279    HZ1  LYS  33           3HZ      LYS  33  -6.229 -11.588  -5.300
  280    HZ2  LYS  33           1HZ      LYS  33  -5.597 -10.931  -3.873
  281    HZ3  LYS  33           2HZ      LYS  33  -4.560 -11.611  -5.025
  282    H    GLU  34           H        GLU  34  -8.687  -4.071  -7.386
  283    HA   GLU  34           HA       GLU  34 -11.638  -4.305  -7.373
  284    HB2  GLU  34           2HB      GLU  34  -9.778  -2.591  -5.759
  285    HB3  GLU  34           1HB      GLU  34 -11.530  -2.397  -5.754
  286    HG2  GLU  34           2HG      GLU  34 -10.249  -5.036  -5.213
  287    HG3  GLU  34           1HG      GLU  34 -10.419  -3.833  -3.904
  288    H    GLY  35           H        GLY  35  -9.273  -2.771  -9.288
  289    HA2  GLY  35           2HA      GLY  35  -9.579  -1.371 -11.055
  290    HA3  GLY  35           1HA      GLY  35 -11.279  -1.291 -10.661
  291    H    ILE  36           H        ILE  36  -9.253  -0.315  -8.054
  292    HA   ILE  36           HA       ILE  36 -10.083   2.462  -8.340
  293    HB   ILE  36           HB       ILE  36  -8.331   1.271  -6.163
  294   HG12  ILE  36          2HG1      ILE  36 -11.288   1.696  -5.735
  295   HG13  ILE  36          1HG1      ILE  36 -10.743   0.216  -6.509
  296   HG21  ILE  36          1HG2      ILE  36  -8.418   3.771  -6.392
  297   HG22  ILE  36          2HG2      ILE  36  -8.957   3.158  -4.829
  298   HG23  ILE  36          3HG2      ILE  36 -10.141   3.686  -6.024
  299   HD11  ILE  36          3HD1      ILE  36 -11.092   0.095  -4.035
  300   HD12  ILE  36          1HD1      ILE  36  -9.683   1.140  -3.862
  301   HD13  ILE  36          2HD1      ILE  36  -9.517  -0.446  -4.615
  302    HA   PRO  37           HA       PRO  37  -6.087   3.318 -10.397
  303    HB2  PRO  37           2HB      PRO  37  -6.768   6.205 -10.095
  304    HB3  PRO  37           1HB      PRO  37  -6.452   5.278 -11.568
  305    HG2  PRO  37           2HG      PRO  37  -8.918   6.107 -10.936
  306    HG3  PRO  37           1HG      PRO  37  -8.636   4.547 -11.733
  307    HD2  PRO  37           2HD      PRO  37  -9.182   5.121  -8.833
  308    HD3  PRO  37           1HD      PRO  37  -9.863   3.858  -9.879
  309    HA   PRO  38           HA       PRO  38  -3.508   3.980  -6.832
  310    HB2  PRO  38           2HB      PRO  38  -1.445   5.156  -8.681
  311    HB3  PRO  38           1HB      PRO  38  -1.290   3.807  -7.551
  312    HG2  PRO  38           2HG      PRO  38  -1.448   3.369 -10.160
  313    HG3  PRO  38           1HG      PRO  38  -2.272   2.303  -9.009
  314    HD2  PRO  38           2HD      PRO  38  -3.409   4.488 -10.718
  315    HD3  PRO  38           1HD      PRO  38  -4.064   2.875 -10.368
  316    H    ASP  39           H        ASP  39  -3.824   6.745  -9.053
  317    HA   ASP  39           HA       ASP  39  -2.795   8.630  -7.218
  318    HB2  ASP  39           2HB      ASP  39  -3.665  10.366  -8.696
  319    HB3  ASP  39           1HB      ASP  39  -2.871   9.113  -9.625
  320    H    GLN  40           H        GLN  40  -5.891   7.065  -7.225
  321    HA   GLN  40           HA       GLN  40  -7.128   9.162  -5.583
  322    HB2  GLN  40           2HB      GLN  40  -8.291   6.716  -6.920
  323    HB3  GLN  40           1HB      GLN  40  -9.201   7.805  -5.887
  324    HG2  GLN  40           2HG      GLN  40  -8.414   9.640  -7.525
  325    HG3  GLN  40           1HG      GLN  40  -8.027   8.289  -8.591
  326   HE21  GLN  40          1HE2      GLN  40  -9.573   8.359 -10.152
  327   HE22  GLN  40          2HE2      GLN  40 -11.272   8.379  -9.838
  328    H    GLN  41           H        GLN  41  -5.235   6.452  -5.030
  329    HA   GLN  41           HA       GLN  41  -6.714   5.460  -2.677
  330    HB2  GLN  41           2HB      GLN  41  -4.500   4.373  -4.380
  331    HB3  GLN  41           1HB      GLN  41  -4.867   3.665  -2.812
  332    HG2  GLN  41           2HG      GLN  41  -7.232   3.387  -3.627
  333    HG3  GLN  41           1HG      GLN  41  -6.644   3.831  -5.230
  334   HE21  GLN  41          1HE2      GLN  41  -6.107   2.151  -6.511
  335   HE22  GLN  41          2HE2      GLN  41  -5.602   0.598  -5.948
  336    H    ARG  42           H        ARG  42  -6.037   5.726  -0.598
  337    HA   ARG  42           HA       ARG  42  -3.312   6.703  -0.115
  338    HB2  ARG  42           2HB      ARG  42  -5.839   7.459   1.390
  339    HB3  ARG  42           1HB      ARG  42  -4.215   7.858   1.933
  340    HG2  ARG  42           2HG      ARG  42  -3.908   9.150  -0.176
  341    HG3  ARG  42           1HG      ARG  42  -5.612   8.859  -0.533
  342    HD2  ARG  42           2HD      ARG  42  -6.316  10.084   1.369
  343    HD3  ARG  42           1HD      ARG  42  -4.687  10.128   2.035
  344    HE   ARG  42           HE       ARG  42  -4.995  11.452  -0.525
  345   HH11  ARG  42          1HH1      ARG  42  -5.074  11.961   2.992
  346   HH12  ARG  42          2HH1      ARG  42  -4.743  13.651   2.845
  347   HH21  ARG  42          1HH2      ARG  42  -4.558  13.662  -0.635
  348   HH22  ARG  42          2HH2      ARG  42  -4.452  14.606   0.811
  349    H    LEU  43           H        LEU  43  -2.147   5.351   1.227
  350    HA   LEU  43           HA       LEU  43  -3.641   3.209   2.622
  351    HB2  LEU  43           2HB      LEU  43  -0.796   3.247   1.589
  352    HB3  LEU  43           1HB      LEU  43  -1.562   1.937   2.478
  353    HG   LEU  43           HG       LEU  43  -2.546   2.914  -0.208
  354   HD11  LEU  43          1HD1      LEU  43  -0.342   2.063  -0.561
  355   HD12  LEU  43          2HD1      LEU  43  -1.490   0.834  -1.091
  356   HD13  LEU  43          3HD1      LEU  43  -0.662   0.659   0.456
  357   HD21  LEU  43          3HD2      LEU  43  -3.695   0.723  -0.235
  358   HD22  LEU  43          1HD2      LEU  43  -4.245   1.768   1.076
  359   HD23  LEU  43          2HD2      LEU  43  -3.138   0.438   1.415
  360    H    ILE  44           H        ILE  44  -3.535   3.020   4.764
  361    HA   ILE  44           HA       ILE  44  -1.541   4.589   6.290
  362    HB   ILE  44           HB       ILE  44  -4.525   4.342   6.657
  363   HG12  ILE  44          2HG1      ILE  44  -3.844   6.930   7.234
  364   HG13  ILE  44          1HG1      ILE  44  -2.574   6.539   6.096
  365   HG21  ILE  44          1HG2      ILE  44  -4.260   5.503   8.875
  366   HG22  ILE  44          2HG2      ILE  44  -2.547   5.088   8.818
  367   HG23  ILE  44          3HG2      ILE  44  -3.762   3.811   8.858
  368   HD11  ILE  44          3HD1      ILE  44  -4.771   5.629   4.766
  369   HD12  ILE  44          1HD1      ILE  44  -4.010   7.208   4.562
  370   HD13  ILE  44          2HD1      ILE  44  -5.403   7.031   5.631
  371    H    PHE  45           H        PHE  45  -0.521   3.582   7.911
  372    HA   PHE  45           HA       PHE  45  -1.491   0.982   8.903
  373    HB2  PHE  45           2HB      PHE  45   0.232   0.507   7.183
  374    HB3  PHE  45           1HB      PHE  45   1.369   1.544   8.032
  375    HD1  PHE  45           1HD      PHE  45  -0.831  -1.398   8.719
  376    HD2  PHE  45           2HD      PHE  45   2.933   0.478   9.395
  377    HE1  PHE  45           1HE      PHE  45  -0.101  -3.335  10.047
  378    HE2  PHE  45           2HE      PHE  45   3.668  -1.463  10.717
  379    HZ   PHE  45           HZ       PHE  45   2.149  -3.371  11.044
  380    H    ALA  46           H        ALA  46  -1.516   1.040  11.172
  381    HA   ALA  46           HA       ALA  46  -1.321   1.912  13.280
  382    HB1  ALA  46           1HB      ALA  46   1.098   2.264  13.982
  383    HB2  ALA  46           2HB      ALA  46   1.524   1.879  12.313
  384    HB3  ALA  46           3HB      ALA  46   0.684   0.688  13.305
  385    H    GLY  47           H        GLY  47  -2.333   3.873  11.624
  386    HA2  GLY  47           2HA      GLY  47  -2.877   6.098  11.794
  387    HA3  GLY  47           1HA      GLY  47  -1.702   6.248  13.077
  388    H    LYS  48           H        LYS  48   0.019   5.109  10.411
  389    HA   LYS  48           HA       LYS  48   0.773   7.863   9.613
  390    HB2  LYS  48           2HB      LYS  48   2.956   6.933   8.959
  391    HB3  LYS  48           1HB      LYS  48   2.613   6.815  10.675
  392    HG2  LYS  48           2HG      LYS  48   2.399   4.523  10.615
  393    HG3  LYS  48           1HG      LYS  48   2.049   4.497   8.893
  394    HD2  LYS  48           2HD      LYS  48   4.175   3.749   8.756
  395    HD3  LYS  48           1HD      LYS  48   4.572   5.457   8.792
  396    HE2  LYS  48           2HE      LYS  48   6.008   4.433  10.356
  397    HE3  LYS  48           1HE      LYS  48   4.757   5.225  11.313
  398    HZ1  LYS  48           3HZ      LYS  48   4.728   2.347  10.588
  399    HZ2  LYS  48           1HZ      LYS  48   3.669   3.139  11.645
  400    HZ3  LYS  48           2HZ      LYS  48   5.298   2.948  12.062
  401    H    GLN  49           H        GLN  49   0.818   8.497   7.485
  402    HA   GLN  49           HA       GLN  49  -0.496   6.792   5.524
  403    HB2  GLN  49           2HB      GLN  49  -0.643   9.399   5.822
  404    HB3  GLN  49           1HB      GLN  49   0.805   9.426   4.827
  405    HG2  GLN  49           2HG      GLN  49  -0.323   8.429   2.997
  406    HG3  GLN  49           1HG      GLN  49  -1.724   8.031   3.991
  407   HE21  GLN  49          1HE2      GLN  49  -0.013  10.611   2.311
  408   HE22  GLN  49          2HE2      GLN  49  -1.313  11.749   2.371
  409    H    LEU  50           H        LEU  50   0.581   5.497   4.032
  410    HA   LEU  50           HA       LEU  50   3.477   5.344   4.165
  411    HB2  LEU  50           2HB      LEU  50   1.671   3.683   2.408
  412    HB3  LEU  50           1HB      LEU  50   3.308   3.335   2.904
  413    HG   LEU  50           HG       LEU  50   0.928   3.416   4.763
  414   HD11  LEU  50          1HD1      LEU  50   0.971   1.022   4.763
  415   HD12  LEU  50          2HD1      LEU  50   2.386   1.000   3.713
  416   HD13  LEU  50          3HD1      LEU  50   0.841   1.582   3.096
  417   HD21  LEU  50          3HD2      LEU  50   3.639   2.232   5.326
  418   HD22  LEU  50          1HD2      LEU  50   2.336   2.580   6.462
  419   HD23  LEU  50          2HD2      LEU  50   3.237   3.903   5.723
  420    H    GLU  51           H        GLU  51   4.942   5.970   2.597
  421    HA   GLU  51           HA       GLU  51   3.928   7.557   0.354
  422    HB2  GLU  51           2HB      GLU  51   6.706   7.171   1.485
  423    HB3  GLU  51           1HB      GLU  51   6.380   8.122   0.040
  424    HG2  GLU  51           2HG      GLU  51   5.265   9.773   1.193
  425    HG3  GLU  51           1HG      GLU  51   4.960   8.752   2.599
  426    H    ASP  52           H        ASP  52   4.286   7.210  -1.816
  427    HA   ASP  52           HA       ASP  52   4.338   4.548  -2.701
  428    HB2  ASP  52           2HB      ASP  52   4.621   7.129  -4.231
  429    HB3  ASP  52           1HB      ASP  52   4.513   5.550  -5.005
  430    H    GLY  53           H        GLY  53   7.039   6.797  -2.379
  431    HA2  GLY  53           2HA      GLY  53   8.820   5.144  -3.972
  432    HA3  GLY  53           1HA      GLY  53   9.255   6.582  -3.076
  433    H    ARG  54           H        ARG  54   7.662   4.631  -0.851
  434    HA   ARG  54           HA       ARG  54  10.225   3.497   0.116
  435    HB2  ARG  54           2HB      ARG  54   7.649   4.055   1.616
  436    HB3  ARG  54           1HB      ARG  54   9.083   3.336   2.322
  437    HG2  ARG  54           2HG      ARG  54   8.765   6.165   1.320
  438    HG3  ARG  54           1HG      ARG  54   8.953   5.619   2.972
  439    HD2  ARG  54           2HD      ARG  54  11.216   4.846   2.497
  440    HD3  ARG  54           1HD      ARG  54  11.051   5.356   0.818
  441    HE   ARG  54           HE       ARG  54  11.474   7.504   1.460
  442   HH11  ARG  54          1HH1      ARG  54  10.687   5.717   4.427
  443   HH12  ARG  54          2HH1      ARG  54  11.100   7.050   5.449
  444   HH21  ARG  54          1HH2      ARG  54  11.998   9.199   2.854
  445   HH22  ARG  54          2HH2      ARG  54  11.836   9.005   4.567
  446    H    THR  55           H        THR  55  10.068   1.405   1.318
  447    HA   THR  55           HA       THR  55   8.304  -0.506  -0.111
  448    HB   THR  55           HB       THR  55   9.866  -2.248   0.464
  449    HG1  THR  55           1HG      THR  55  11.357  -0.235   1.817
  450   HG21  THR  55          3HG2      THR  55  11.246   0.137  -0.726
  451   HG22  THR  55          1HG2      THR  55  10.476  -1.210  -1.566
  452   HG23  THR  55          2HG2      THR  55  11.960  -1.474  -0.651
  453    H    LEU  56           H        LEU  56   7.625  -2.433   1.109
  454    HA   LEU  56           HA       LEU  56   6.136  -1.831   3.431
  455    HB2  LEU  56           2HB      LEU  56   7.041  -4.526   2.426
  456    HB3  LEU  56           1HB      LEU  56   5.812  -4.269   3.654
  457    HG   LEU  56           HG       LEU  56   5.602  -3.362   0.778
  458   HD11  LEU  56          1HD1      LEU  56   4.114  -5.190   0.424
  459   HD12  LEU  56          2HD1      LEU  56   4.179  -5.645   2.126
  460   HD13  LEU  56          3HD1      LEU  56   5.606  -5.834   1.109
  461   HD21  LEU  56          3HD2      LEU  56   3.681  -3.281   3.104
  462   HD22  LEU  56          1HD2      LEU  56   3.162  -3.118   1.427
  463   HD23  LEU  56          2HD2      LEU  56   4.260  -1.930   2.130
  464    H    SER  57           H        SER  57   9.390  -3.238   3.206
  465    HA   SER  57           HA       SER  57   9.610  -3.999   5.951
  466    HB2  SER  57           2HB      SER  57  11.103  -5.078   4.395
  467    HB3  SER  57           1HB      SER  57  11.747  -3.518   3.869
  468    HG   SER  57           HG       SER  57  12.305  -5.017   6.146
  469    H    ASP  58           H        ASP  58  10.246  -0.959   4.234
  470    HA   ASP  58           HA       ASP  58  11.778   0.338   6.232
  471    HB2  ASP  58           2HB      ASP  58   9.952   1.464   4.098
  472    HB3  ASP  58           1HB      ASP  58  10.888   2.491   5.166
  473    H    TYR  59           H        TYR  59   8.307  -0.211   6.030
  474    HA   TYR  59           HA       TYR  59   7.813   1.495   8.378
  475    HB2  TYR  59           2HB      TYR  59   5.941   0.148   6.403
  476    HB3  TYR  59           1HB      TYR  59   5.392   0.994   7.850
  477    HD1  TYR  59           1HD      TYR  59   6.152   3.449   8.117
  478    HD2  TYR  59           2HD      TYR  59   6.275   1.363   4.410
  479    HE1  TYR  59           1HE      TYR  59   6.216   5.593   6.917
  480    HE2  TYR  59           2HE      TYR  59   6.340   3.505   3.200
  481    HH   TYR  59           HH       TYR  59   7.230   6.118   4.143
  482    H    ASN  60           H        ASN  60   8.944  -1.528   8.130
  483    HA   ASN  60           HA       ASN  60   8.925  -3.422   9.318
  484    HB2  ASN  60           2HB      ASN  60   7.816  -1.559  11.431
  485    HB3  ASN  60           1HB      ASN  60   8.348  -3.205  11.765
  486   HD21  ASN  60          1HD2      ASN  60   9.357   0.059  11.032
  487   HD22  ASN  60          2HD2      ASN  60  11.045  -0.206  11.285
  488    H    ILE  61           H        ILE  61   6.741  -3.239   7.560
  489    HA   ILE  61           HA       ILE  61   4.379  -4.235   8.959
  490    HB   ILE  61           HB       ILE  61   4.909  -3.958   5.974
  491   HG12  ILE  61          2HG1      ILE  61   3.119  -2.282   7.741
  492   HG13  ILE  61          1HG1      ILE  61   4.772  -1.831   7.361
  493   HG21  ILE  61          1HG2      ILE  61   2.492  -4.295   5.670
  494   HG22  ILE  61          2HG2      ILE  61   2.308  -4.557   7.404
  495   HG23  ILE  61          3HG2      ILE  61   3.231  -5.703   6.435
  496   HD11  ILE  61          3HD1      ILE  61   2.587  -2.218   5.330
  497   HD12  ILE  61          1HD1      ILE  61   4.230  -1.657   5.018
  498   HD13  ILE  61          2HD1      ILE  61   3.126  -0.666   5.973
  499    H    GLN  62           H        GLN  62   4.059  -6.317   9.461
  500    HA   GLN  62           HA       GLN  62   5.830  -8.401   8.315
  501    HB2  GLN  62           2HB      GLN  62   4.486  -8.140  11.014
  502    HB3  GLN  62           1HB      GLN  62   5.380  -9.557  10.492
  503    HG2  GLN  62           2HG      GLN  62   6.536  -6.788  10.764
  504    HG3  GLN  62           1HG      GLN  62   6.679  -8.069  11.967
  505   HE21  GLN  62          1HE2      GLN  62   8.592  -6.534  10.003
  506   HE22  GLN  62          2HE2      GLN  62   9.557  -7.820   9.374
  507    H    LYS  63           H        LYS  63   4.840 -10.692   8.551
  508    HA   LYS  63           HA       LYS  63   2.666 -10.976   6.885
  509    HB2  LYS  63           2HB      LYS  63   2.437 -13.315   7.670
  510    HB3  LYS  63           1HB      LYS  63   4.091 -12.879   7.259
  511    HG2  LYS  63           2HG      LYS  63   4.627 -12.611   9.616
  512    HG3  LYS  63           1HG      LYS  63   2.968 -13.026  10.048
  513    HD2  LYS  63           2HD      LYS  63   3.274 -15.231   8.973
  514    HD3  LYS  63           1HD      LYS  63   4.953 -14.807   8.635
  515    HE2  LYS  63           2HE      LYS  63   5.456 -14.679  10.975
  516    HE3  LYS  63           1HE      LYS  63   3.754 -14.872  11.397
  517    HZ1  LYS  63           3HZ      LYS  63   4.848 -16.945  11.708
  518    HZ2  LYS  63           1HZ      LYS  63   5.533 -16.899  10.161
  519    HZ3  LYS  63           2HZ      LYS  63   3.863 -17.099  10.342
  520    H    GLU  64           H        GLU  64   0.449 -11.269   7.044
  521    HA   GLU  64           HA       GLU  64  -1.662 -11.095   7.819
  522    HB2  GLU  64           2HB      GLU  64  -0.542 -11.953  10.486
  523    HB3  GLU  64           1HB      GLU  64  -2.251 -11.833  10.089
  524    HG2  GLU  64           2HG      GLU  64  -1.684 -13.479   8.178
  525    HG3  GLU  64           1HG      GLU  64  -0.218 -13.802   9.108
  526    H    SER  65           H        SER  65   0.270  -8.678   8.181
  527    HA   SER  65           HA       SER  65  -1.030  -7.128  10.271
  528    HB2  SER  65           2HB      SER  65   0.899  -6.436   8.048
  529    HB3  SER  65           1HB      SER  65   0.207  -5.211   9.109
  530    HG   SER  65           HG       SER  65   1.258  -6.106  10.823
  531    H    THR  66           H        THR  66  -2.421  -5.303   9.905
  532    HA   THR  66           HA       THR  66  -4.089  -5.507   7.463
  533    HB   THR  66           HB       THR  66  -4.848  -4.391  10.169
  534    HG1  THR  66           1HG      THR  66  -5.543  -6.340  10.719
  535   HG21  THR  66          3HG2      THR  66  -6.463  -3.595   8.700
  536   HG22  THR  66          1HG2      THR  66  -7.166  -5.109   9.270
  537   HG23  THR  66          2HG2      THR  66  -6.393  -5.037   7.687
  538    H    LEU  67           H        LEU  67  -4.018  -3.809   6.094
  539    HA   LEU  67           HA       LEU  67  -3.071  -1.165   7.000
  540    HB2  LEU  67           2HB      LEU  67  -3.285  -2.134   4.137
  541    HB3  LEU  67           1HB      LEU  67  -2.512  -0.675   4.723
  542    HG   LEU  67           HG       LEU  67  -0.952  -2.444   5.998
  543   HD11  LEU  67          1HD1      LEU  67  -1.988  -4.010   3.672
  544   HD12  LEU  67          2HD1      LEU  67  -2.062  -4.434   5.382
  545   HD13  LEU  67          3HD1      LEU  67  -0.506  -4.381   4.554
  546   HD21  LEU  67          3HD2      LEU  67   0.589  -2.386   4.054
  547   HD22  LEU  67          1HD2      LEU  67  -0.062  -0.807   4.501
  548   HD23  LEU  67          2HD2      LEU  67  -0.711  -1.668   3.104
  549    H    HIS  68           H        HIS  68  -4.286   0.688   6.201
  550    HA   HIS  68           HA       HIS  68  -7.116   0.083   5.599
  551    HB2  HIS  68           2HB      HIS  68  -5.843   2.408   7.065
  552    HB3  HIS  68           1HB      HIS  68  -7.544   2.344   6.632
  553    HD1  HIS  68           1HD      HIS  68  -5.009   0.655   8.849
  554    HD2  HIS  68           2HD      HIS  68  -9.129   0.897   8.378
  555    HE1  HIS  68           1HE      HIS  68  -5.979  -0.489  10.861
  556    H    LEU  69           H        LEU  69  -8.026   0.925   3.782
  557    HA   LEU  69           HA       LEU  69  -6.364   2.679   2.072
  558    HB2  LEU  69           2HB      LEU  69  -6.999   0.451   1.162
  559    HB3  LEU  69           1HB      LEU  69  -8.688   0.873   1.361
  560    HG   LEU  69           HG       LEU  69  -8.341   2.707  -0.292
  561   HD11  LEU  69          1HD1      LEU  69  -5.667   1.385  -0.704
  562   HD12  LEU  69          2HD1      LEU  69  -5.934   2.996  -0.037
  563   HD13  LEU  69          3HD1      LEU  69  -6.360   2.655  -1.712
  564   HD21  LEU  69          3HD2      LEU  69  -8.305   1.241  -2.245
  565   HD22  LEU  69          1HD2      LEU  69  -9.310   0.578  -0.956
  566   HD23  LEU  69          2HD2      LEU  69  -7.696  -0.073  -1.241
  567    H    VAL  70           H        VAL  70  -7.068   4.742   1.689
  568    HA   VAL  70           HA       VAL  70  -9.842   5.464   2.268
  569    HB   VAL  70           HB       VAL  70  -7.226   6.796   2.870
  570   HG11  VAL  70          1HG1      VAL  70  -8.342   8.952   3.437
  571   HG12  VAL  70          2HG1      VAL  70  -9.825   8.342   2.703
  572   HG13  VAL  70          3HG1      VAL  70  -8.394   8.604   1.707
  573   HG21  VAL  70          3HG2      VAL  70  -8.334   5.440   4.543
  574   HG22  VAL  70          1HG2      VAL  70  -9.671   6.591   4.561
  575   HG23  VAL  70          2HG2      VAL  70  -8.054   7.104   5.053
  576    H    LEU  71           H        LEU  71 -10.887   6.556   0.601
  577    HA   LEU  71           HA       LEU  71  -9.413   6.811  -1.931
  578    HB2  LEU  71           2HB      LEU  71 -12.392   6.750  -1.430
  579    HB3  LEU  71           1HB      LEU  71 -11.622   6.797  -3.005
  580    HG   LEU  71           HG       LEU  71 -11.228   4.526  -1.056
  581   HD11  LEU  71          1HD1      LEU  71 -12.825   3.277  -2.471
  582   HD12  LEU  71          2HD1      LEU  71 -13.214   4.779  -3.309
  583   HD13  LEU  71          3HD1      LEU  71 -13.575   4.609  -1.591
  584   HD21  LEU  71          3HD2      LEU  71 -10.650   4.863  -3.996
  585   HD22  LEU  71          1HD2      LEU  71 -10.540   3.331  -3.129
  586   HD23  LEU  71          2HD2      LEU  71  -9.479   4.669  -2.691
  587    H    ARG  72           H        ARG  72  -9.033   8.723  -2.884
  588    HA   ARG  72           HA       ARG  72 -10.008  11.168  -1.583
  589    HB2  ARG  72           2HB      ARG  72  -7.550  10.756  -2.129
  590    HB3  ARG  72           1HB      ARG  72  -7.985  10.954  -3.820
  591    HG2  ARG  72           2HG      ARG  72  -8.637  13.221  -3.469
  592    HG3  ARG  72           1HG      ARG  72  -8.503  13.046  -1.718
  593    HD2  ARG  72           2HD      ARG  72  -6.154  12.900  -1.805
  594    HD3  ARG  72           1HD      ARG  72  -6.151  12.639  -3.549
  595    HE   ARG  72           HE       ARG  72  -6.323  15.160  -2.159
  596   HH11  ARG  72          1HH1      ARG  72  -6.931  13.586  -5.282
  597   HH12  ARG  72          2HH1      ARG  72  -6.853  15.077  -6.153
  598   HH21  ARG  72          1HH2      ARG  72  -6.233  17.072  -3.358
  599   HH22  ARG  72          2HH2      ARG  72  -6.462  17.036  -5.074
  600    H    LEU  73           H        LEU  73 -11.222  12.749  -2.646
  601    HA   LEU  73           HA       LEU  73 -12.021  12.309  -5.439
  602    HB2  LEU  73           2HB      LEU  73 -13.955  12.593  -3.137
  603    HB3  LEU  73           1HB      LEU  73 -14.405  12.687  -4.828
  604    HG   LEU  73           HG       LEU  73 -13.131  10.241  -3.609
  605   HD11  LEU  73          1HD1      LEU  73 -16.065  10.727  -4.103
  606   HD12  LEU  73          2HD1      LEU  73 -15.291  10.744  -2.518
  607   HD13  LEU  73          3HD1      LEU  73 -15.325   9.259  -3.466
  608   HD21  LEU  73          3HD2      LEU  73 -14.099   9.149  -5.610
  609   HD22  LEU  73          1HD2      LEU  73 -12.879  10.360  -6.001
  610   HD23  LEU  73          2HD2      LEU  73 -14.590  10.736  -6.199
  611    H    ARG  74           H        ARG  74 -12.277  14.181  -6.582
  612    HA   ARG  74           HA       ARG  74 -12.592  16.732  -5.159
  613    HB2  ARG  74           2HB      ARG  74 -10.462  16.202  -7.240
  614    HB3  ARG  74           1HB      ARG  74 -10.820  17.766  -6.523
  615    HG2  ARG  74           2HG      ARG  74  -9.908  15.385  -4.924
  616    HG3  ARG  74           1HG      ARG  74  -8.810  16.587  -5.604
  617    HD2  ARG  74           2HD      ARG  74  -9.773  18.322  -4.289
  618    HD3  ARG  74           1HD      ARG  74 -11.092  17.280  -3.762
  619    HE   ARG  74           HE       ARG  74  -8.952  15.965  -2.818
  620   HH11  ARG  74          1HH1      ARG  74  -9.805  19.397  -2.486
  621   HH12  ARG  74          2HH1      ARG  74  -8.969  19.549  -0.982
  622   HH21  ARG  74          1HH2      ARG  74  -7.887  16.239  -0.851
  623   HH22  ARG  74          2HH2      ARG  74  -7.892  17.781  -0.062
  624    H    GLY  75           H        GLY  75 -12.223  15.286  -8.409
  625    HA2  GLY  75           2HA      GLY  75 -13.906  17.270  -9.652
  626    HA3  GLY  75           1HA      GLY  75 -13.204  15.854 -10.422
  627    H    GLY  76           H        GLY  76 -16.085  17.254  -9.757
  628    HA2  GLY  76           2HA      GLY  76 -18.231  16.445 -10.019
  629    HA3  GLY  76           1HA      GLY  76 -17.565  14.831 -10.210
  Start of MODEL    5
    1    H1   MET   1           1HT      MET   1   4.979 -12.161   1.346
    2    H2   MET   1           2HT      MET   1   4.410 -13.745   1.041
    3    H3   MET   1           3HT      MET   1   5.786 -13.505   2.036
    4    HA   MET   1           HA       MET   1   3.848 -14.042   3.284
    5    HB2  MET   1           2HB      MET   1   4.000 -12.109   4.858
    6    HB3  MET   1           1HB      MET   1   5.563 -12.697   4.339
    7    HG2  MET   1           2HG      MET   1   5.739 -10.827   2.766
    8    HG3  MET   1           1HG      MET   1   4.164 -10.245   3.305
    9    HE1  MET   1           2HE      MET   1   4.167  -8.294   4.326
   10    HE2  MET   1           3HE      MET   1   5.780  -7.708   3.916
   11    HE3  MET   1           1HE      MET   1   5.223  -7.658   5.589
   12    H    GLN   2           H        GLN   2   1.735 -13.456   4.059
   13    HA   GLN   2           HA       GLN   2   0.098 -12.011   2.081
   14    HB2  GLN   2           2HB      GLN   2  -0.650 -13.824   4.381
   15    HB3  GLN   2           1HB      GLN   2  -1.808 -13.032   3.323
   16    HG2  GLN   2           2HG      GLN   2  -0.710 -14.217   1.402
   17    HG3  GLN   2           1HG      GLN   2   0.206 -15.141   2.593
   18   HE21  GLN   2          1HE2      GLN   2  -1.384 -16.019   4.439
   19   HE22  GLN   2          2HE2      GLN   2  -2.770 -16.836   3.811
   20    H    ILE   3           H        ILE   3  -1.154 -10.246   2.551
   21    HA   ILE   3           HA       ILE   3  -1.102  -9.123   5.266
   22    HB   ILE   3           HB       ILE   3  -0.763  -6.863   4.408
   23   HG12  ILE   3          2HG1      ILE   3   0.111  -8.029   1.752
   24   HG13  ILE   3          1HG1      ILE   3  -1.532  -7.451   1.997
   25   HG21  ILE   3          1HG2      ILE   3   1.393  -8.868   3.784
   26   HG22  ILE   3          2HG2      ILE   3   1.135  -7.976   5.284
   27   HG23  ILE   3          3HG2      ILE   3   1.661  -7.125   3.833
   28   HD11  ILE   3          3HD1      ILE   3   0.825  -5.708   2.576
   29   HD12  ILE   3          1HD1      ILE   3  -0.848  -5.249   2.263
   30   HD13  ILE   3          2HD1      ILE   3   0.158  -5.859   0.949
   31    H    PHE   4           H        PHE   4  -2.966  -7.407   5.535
   32    HA   PHE   4           HA       PHE   4  -5.234  -8.042   3.754
   33    HB2  PHE   4           2HB      PHE   4  -5.235  -7.605   6.749
   34    HB3  PHE   4           1HB      PHE   4  -6.669  -7.805   5.765
   35    HD1  PHE   4           1HD      PHE   4  -7.273  -9.977   4.854
   36    HD2  PHE   4           2HD      PHE   4  -3.794  -9.495   7.261
   37    HE1  PHE   4           1HE      PHE   4  -7.135 -12.416   5.138
   38    HE2  PHE   4           2HE      PHE   4  -3.652 -11.933   7.549
   39    HZ   PHE   4           HZ       PHE   4  -5.323 -13.397   6.487
   40    H    VAL   5           H        VAL   5  -6.495  -6.325   3.058
   41    HA   VAL   5           HA       VAL   5  -5.818  -3.620   4.090
   42    HB   VAL   5           HB       VAL   5  -6.680  -4.240   1.245
   43   HG11  VAL   5          1HG1      VAL   5  -5.695  -1.660   2.497
   44   HG12  VAL   5          2HG1      VAL   5  -7.352  -1.993   1.999
   45   HG13  VAL   5          3HG1      VAL   5  -6.074  -1.893   0.791
   46   HG21  VAL   5          3HG2      VAL   5  -3.946  -3.572   2.357
   47   HG22  VAL   5          1HG2      VAL   5  -4.356  -3.562   0.639
   48   HG23  VAL   5          2HG2      VAL   5  -4.432  -5.068   1.554
   49    H    LYS   6           H        LYS   6  -7.538  -2.586   5.026
   50    HA   LYS   6           HA       LYS   6 -10.258  -3.644   4.569
   51    HB2  LYS   6           2HB      LYS   6  -8.878  -2.455   6.917
   52    HB3  LYS   6           1HB      LYS   6 -10.567  -1.994   6.718
   53    HG2  LYS   6           2HG      LYS   6 -10.881  -4.612   6.431
   54    HG3  LYS   6           1HG      LYS   6  -9.363  -4.665   7.327
   55    HD2  LYS   6           2HD      LYS   6 -10.387  -3.344   9.115
   56    HD3  LYS   6           1HD      LYS   6 -11.898  -3.295   8.207
   57    HE2  LYS   6           2HE      LYS   6 -12.058  -5.730   8.342
   58    HE3  LYS   6           1HE      LYS   6 -10.536  -5.786   9.230
   59    HZ1  LYS   6           3HZ      LYS   6 -13.076  -4.544  10.139
   60    HZ2  LYS   6           1HZ      LYS   6 -11.607  -4.428  10.972
   61    HZ3  LYS   6           2HZ      LYS   6 -12.345  -5.935  10.766
   62    H    THR   7           H        THR   7 -11.890  -2.389   3.754
   63    HA   THR   7           HA       THR   7 -11.164   0.300   2.827
   64    HB   THR   7           HB       THR   7 -12.844   0.103   1.140
   65    HG1  THR   7           1HG      THR   7 -14.464  -1.286   1.193
   66   HG21  THR   7          3HG2      THR   7 -10.832  -1.164   0.617
   67   HG22  THR   7          1HG2      THR   7 -12.276  -1.865  -0.114
   68   HG23  THR   7          2HG2      THR   7 -11.564  -2.606   1.319
   69    H    LEU   8           H        LEU   8 -12.840   2.010   2.830
   70    HA   LEU   8           HA       LEU   8 -13.886   2.366   5.427
   71    HB2  LEU   8           2HB      LEU   8 -14.639   3.885   2.940
   72    HB3  LEU   8           1HB      LEU   8 -14.973   4.404   4.582
   73    HG   LEU   8           HG       LEU   8 -12.195   3.920   3.548
   74   HD11  LEU   8          1HD1      LEU   8 -13.257   5.702   2.246
   75   HD12  LEU   8          2HD1      LEU   8 -11.973   6.325   3.282
   76   HD13  LEU   8          3HD1      LEU   8 -13.661   6.545   3.742
   77   HD21  LEU   8          3HD2      LEU   8 -12.382   3.821   5.960
   78   HD22  LEU   8          1HD2      LEU   8 -13.233   5.366   5.980
   79   HD23  LEU   8          2HD2      LEU   8 -11.543   5.297   5.483
   80    H    THR   9           H        THR   9 -15.340   0.550   2.985
   81    HA   THR   9           HA       THR   9 -18.105   0.954   3.936
   82    HB   THR   9           HB       THR   9 -18.846  -0.282   1.961
   83    HG1  THR   9           1HG      THR   9 -17.480  -1.284   0.640
   84   HG21  THR   9          3HG2      THR   9 -18.660   1.952   1.348
   85   HG22  THR   9          1HG2      THR   9 -17.721   1.107   0.116
   86   HG23  THR   9          2HG2      THR   9 -16.898   1.930   1.441
   87    H    GLY  10           H        GLY  10 -15.547  -1.266   4.508
   88    HA2  GLY  10           2HA      GLY  10 -15.947  -2.800   6.342
   89    HA3  GLY  10           1HA      GLY  10 -17.504  -3.184   5.644
   90    H    LYS  11           H        LYS  11 -14.894  -2.936   3.388
   91    HA   LYS  11           HA       LYS  11 -14.999  -5.837   3.075
   92    HB2  LYS  11           2HB      LYS  11 -15.480  -4.223   1.157
   93    HB3  LYS  11           1HB      LYS  11 -13.747  -3.961   1.073
   94    HG2  LYS  11           2HG      LYS  11 -13.381  -6.301   0.589
   95    HG3  LYS  11           1HG      LYS  11 -15.103  -6.637   0.790
   96    HD2  LYS  11           2HD      LYS  11 -15.601  -5.137  -1.093
   97    HD3  LYS  11           1HD      LYS  11 -13.874  -4.842  -1.303
   98    HE2  LYS  11           2HE      LYS  11 -14.502  -6.491  -2.899
   99    HE3  LYS  11           1HE      LYS  11 -13.587  -7.310  -1.635
  100    HZ1  LYS  11           3HZ      LYS  11 -15.631  -8.491  -2.358
  101    HZ2  LYS  11           1HZ      LYS  11 -16.552  -7.222  -1.718
  102    HZ3  LYS  11           2HZ      LYS  11 -15.582  -8.163  -0.700
  103    H    THR  12           H        THR  12 -13.232  -7.207   3.206
  104    HA   THR  12           HA       THR  12 -10.595  -5.981   3.792
  105    HB   THR  12           HB       THR  12 -11.551  -8.728   4.670
  106    HG1  THR  12           1HG      THR  12 -12.174  -7.864   6.532
  107   HG21  THR  12          3HG2      THR  12  -9.024  -8.148   4.553
  108   HG22  THR  12          1HG2      THR  12  -9.668  -8.896   6.015
  109   HG23  THR  12          2HG2      THR  12  -9.358  -7.160   5.975
  110    H    ILE  13           H        ILE  13  -9.082  -6.345   2.256
  111    HA   ILE  13           HA       ILE  13  -9.477  -8.557   0.328
  112    HB   ILE  13           HB       ILE  13  -7.577  -6.250  -0.195
  113   HG12  ILE  13          2HG1      ILE  13 -10.447  -6.229  -1.159
  114   HG13  ILE  13          1HG1      ILE  13  -9.916  -5.335   0.260
  115   HG21  ILE  13          1HG2      ILE  13  -7.448  -8.296  -1.564
  116   HG22  ILE  13          2HG2      ILE  13  -7.877  -6.872  -2.511
  117   HG23  ILE  13          3HG2      ILE  13  -9.120  -8.043  -2.068
  118   HD11  ILE  13          3HD1      ILE  13 -10.065  -3.994  -1.827
  119   HD12  ILE  13          1HD1      ILE  13  -8.737  -4.958  -2.476
  120   HD13  ILE  13          2HD1      ILE  13  -8.485  -3.960  -1.043
  121    H    THR  14           H        THR  14  -7.818 -10.070   0.036
  122    HA   THR  14           HA       THR  14  -5.528  -9.882   1.883
  123    HB   THR  14           HB       THR  14  -6.452 -12.359   0.409
  124    HG1  THR  14           1HG      THR  14  -7.811 -12.815   2.013
  125   HG21  THR  14          3HG2      THR  14  -4.710 -11.879   2.799
  126   HG22  THR  14          1HG2      THR  14  -4.335 -12.753   1.315
  127   HG23  THR  14          2HG2      THR  14  -5.463 -13.443   2.483
  128    H    LEU  15           H        LEU  15  -3.504  -9.647   1.073
  129    HA   LEU  15           HA       LEU  15  -3.137 -10.025  -1.841
  130    HB2  LEU  15           2HB      LEU  15  -1.915  -7.837  -0.150
  131    HB3  LEU  15           1HB      LEU  15  -1.631  -8.087  -1.861
  132    HG   LEU  15           HG       LEU  15  -4.347  -7.442  -0.710
  133   HD11  LEU  15          1HD1      LEU  15  -2.859  -5.588  -0.251
  134   HD12  LEU  15          2HD1      LEU  15  -3.977  -5.162  -1.546
  135   HD13  LEU  15          3HD1      LEU  15  -2.308  -5.585  -1.927
  136   HD21  LEU  15          3HD2      LEU  15  -3.277  -7.359  -3.530
  137   HD22  LEU  15          1HD2      LEU  15  -4.897  -6.876  -3.026
  138   HD23  LEU  15          2HD2      LEU  15  -4.393  -8.560  -2.878
  139    H    GLU  16           H        GLU  16  -1.184 -10.872  -2.536
  140    HA   GLU  16           HA       GLU  16   0.578 -12.027  -0.467
  141    HB2  GLU  16           2HB      GLU  16  -0.430 -13.484  -2.333
  142    HB3  GLU  16           1HB      GLU  16   0.651 -12.644  -3.437
  143    HG2  GLU  16           2HG      GLU  16   1.664 -14.047  -0.986
  144    HG3  GLU  16           1HG      GLU  16   1.398 -14.897  -2.505
  145    H    VAL  17           H        VAL  17   2.453 -10.915  -0.070
  146    HA   VAL  17           HA       VAL  17   3.641  -9.255  -2.205
  147    HB   VAL  17           HB       VAL  17   4.015  -7.432  -0.546
  148   HG11  VAL  17          1HG1      VAL  17   2.169  -7.407  -2.193
  149   HG12  VAL  17          2HG1      VAL  17   1.809  -6.494  -0.729
  150   HG13  VAL  17          3HG1      VAL  17   1.106  -8.094  -0.966
  151   HG21  VAL  17          3HG2      VAL  17   2.004  -8.895   1.180
  152   HG22  VAL  17          1HG2      VAL  17   2.758  -7.337   1.521
  153   HG23  VAL  17          2HG2      VAL  17   3.732  -8.807   1.518
  154    H    GLU  18           H        GLU  18   5.850  -8.442  -1.585
  155    HA   GLU  18           HA       GLU  18   7.322 -10.298   0.195
  156    HB2  GLU  18           2HB      GLU  18   8.226  -8.932  -2.368
  157    HB3  GLU  18           1HB      GLU  18   9.313  -9.772  -1.270
  158    HG2  GLU  18           2HG      GLU  18   6.955 -11.100  -2.577
  159    HG3  GLU  18           1HG      GLU  18   8.562 -11.052  -3.303
  160    HA   PRO  19           HA       PRO  19   8.204  -6.675   2.624
  161    HB2  PRO  19           2HB      PRO  19  11.030  -7.506   2.993
  162    HB3  PRO  19           1HB      PRO  19   9.764  -7.182   4.187
  163    HG2  PRO  19           2HG      PRO  19  10.536  -9.696   3.617
  164    HG3  PRO  19           1HG      PRO  19   8.851  -9.296   3.995
  165    HD2  PRO  19           2HD      PRO  19  10.104  -9.816   1.308
  166    HD3  PRO  19           1HD      PRO  19   8.520 -10.329   1.943
  167    H    SER  20           H        SER  20  10.425  -7.373  -0.033
  168    HA   SER  20           HA       SER  20  11.558  -4.703  -0.083
  169    HB2  SER  20           2HB      SER  20  12.716  -6.899  -0.780
  170    HB3  SER  20           1HB      SER  20  11.844  -6.713  -2.302
  171    HG   SER  20           HG       SER  20  14.091  -5.546  -1.603
  172    H    ASP  21           H        ASP  21   8.488  -5.732  -1.017
  173    HA   ASP  21           HA       ASP  21   8.281  -4.504  -3.600
  174    HB2  ASP  21           2HB      ASP  21   6.260  -5.497  -1.596
  175    HB3  ASP  21           1HB      ASP  21   5.744  -4.583  -3.005
  176    H    THR  22           H        THR  22   7.511  -2.447  -4.092
  177    HA   THR  22           HA       THR  22   7.718  -0.413  -2.025
  178    HB   THR  22           HB       THR  22   7.525   1.193  -3.843
  179    HG1  THR  22           1HG      THR  22   7.103   0.596  -5.885
  180   HG21  THR  22          3HG2      THR  22   9.751   0.413  -3.475
  181   HG22  THR  22          1HG2      THR  22   9.484   0.574  -5.211
  182   HG23  THR  22          2HG2      THR  22   9.460  -1.022  -4.460
  183    H    ILE  23           H        ILE  23   6.061   1.243  -1.719
  184    HA   ILE  23           HA       ILE  23   3.419   0.248  -1.329
  185    HB   ILE  23           HB       ILE  23   4.465   3.073  -1.400
  186   HG12  ILE  23          2HG1      ILE  23   5.476   1.701   0.319
  187   HG13  ILE  23          1HG1      ILE  23   4.448   2.919   1.051
  188   HG21  ILE  23          1HG2      ILE  23   1.784   2.159  -0.373
  189   HG22  ILE  23          2HG2      ILE  23   2.068   3.177  -1.784
  190   HG23  ILE  23          3HG2      ILE  23   2.461   3.776  -0.174
  191   HD11  ILE  23          3HD1      ILE  23   2.688   1.192   1.343
  192   HD12  ILE  23          1HD1      ILE  23   4.172   0.866   2.240
  193   HD13  ILE  23          2HD1      ILE  23   3.831  -0.012   0.749
  194    H    GLU  24           H        GLU  24   4.778   2.194  -4.033
  195    HA   GLU  24           HA       GLU  24   2.387   2.614  -5.517
  196    HB2  GLU  24           2HB      GLU  24   4.672   3.626  -6.014
  197    HB3  GLU  24           1HB      GLU  24   5.126   2.074  -6.706
  198    HG2  GLU  24           2HG      GLU  24   3.505   2.304  -8.447
  199    HG3  GLU  24           1HG      GLU  24   2.800   3.724  -7.675
  200    H    ASN  25           H        ASN  25   4.540  -0.228  -5.351
  201    HA   ASN  25           HA       ASN  25   3.192  -1.712  -7.435
  202    HB2  ASN  25           2HB      ASN  25   4.998  -2.620  -5.178
  203    HB3  ASN  25           1HB      ASN  25   4.344  -3.714  -6.404
  204   HD21  ASN  25          1HD2      ASN  25   6.370  -4.301  -7.241
  205   HD22  ASN  25          2HD2      ASN  25   7.344  -3.191  -8.137
  206    H    VAL  26           H        VAL  26   2.773  -1.566  -3.905
  207    HA   VAL  26           HA       VAL  26   0.753  -3.606  -3.741
  208    HB   VAL  26           HB       VAL  26   1.264  -1.229  -1.903
  209   HG11  VAL  26          1HG1      VAL  26  -0.419  -3.695  -1.404
  210   HG12  VAL  26          2HG1      VAL  26  -1.016  -2.044  -1.565
  211   HG13  VAL  26          3HG1      VAL  26   0.002  -2.482  -0.193
  212   HG21  VAL  26          3HG2      VAL  26   2.021  -4.102  -1.454
  213   HG22  VAL  26          1HG2      VAL  26   2.528  -2.679  -0.544
  214   HG23  VAL  26          2HG2      VAL  26   3.105  -2.922  -2.191
  215    H    LYS  27           H        LYS  27   0.514  -0.068  -4.316
  216    HA   LYS  27           HA       LYS  27  -2.317   0.053  -4.403
  217    HB2  LYS  27           2HB      LYS  27  -0.300   1.718  -5.945
  218    HB3  LYS  27           1HB      LYS  27  -2.009   2.091  -5.815
  219    HG2  LYS  27           2HG      LYS  27  -1.312   2.053  -3.168
  220    HG3  LYS  27           1HG      LYS  27   0.204   2.619  -3.929
  221    HD2  LYS  27           2HD      LYS  27  -1.281   4.269  -5.175
  222    HD3  LYS  27           1HD      LYS  27  -2.508   3.864  -3.973
  223    HE2  LYS  27           2HE      LYS  27   0.275   4.742  -3.224
  224    HE3  LYS  27           1HE      LYS  27  -1.042   5.886  -3.487
  225    HZ1  LYS  27           3HZ      LYS  27  -0.753   5.275  -1.140
  226    HZ2  LYS  27           1HZ      LYS  27  -1.113   3.665  -1.518
  227    HZ3  LYS  27           2HZ      LYS  27  -2.286   4.865  -1.723
  228    H    ALA  28           H        ALA  28   0.081  -0.708  -6.943
  229    HA   ALA  28           HA       ALA  28  -1.717  -0.776  -9.127
  230    HB1  ALA  28           1HB      ALA  28   0.911  -2.192  -8.731
  231    HB2  ALA  28           2HB      ALA  28   0.601  -0.705  -9.628
  232    HB3  ALA  28           3HB      ALA  28  -0.002  -2.245 -10.239
  233    H    LYS  29           H        LYS  29  -0.796  -3.284  -6.782
  234    HA   LYS  29           HA       LYS  29  -2.252  -5.486  -7.972
  235    HB2  LYS  29           2HB      LYS  29  -1.353  -5.007  -5.120
  236    HB3  LYS  29           1HB      LYS  29  -2.080  -6.501  -5.694
  237    HG2  LYS  29           2HG      LYS  29  -0.230  -6.982  -7.089
  238    HG3  LYS  29           1HG      LYS  29   0.436  -5.361  -6.883
  239    HD2  LYS  29           2HD      LYS  29   0.997  -5.796  -4.607
  240    HD3  LYS  29           1HD      LYS  29   0.090  -7.308  -4.610
  241    HE2  LYS  29           2HE      LYS  29   2.430  -6.865  -6.447
  242    HE3  LYS  29           1HE      LYS  29   2.641  -7.435  -4.793
  243    HZ1  LYS  29           3HZ      LYS  29   2.541  -9.314  -6.227
  244    HZ2  LYS  29           1HZ      LYS  29   1.114  -8.772  -6.958
  245    HZ3  LYS  29           2HZ      LYS  29   1.099  -9.279  -5.344
  246    H    ILE  30           H        ILE  30  -3.155  -2.963  -5.615
  247    HA   ILE  30           HA       ILE  30  -5.795  -4.029  -5.114
  248    HB   ILE  30           HB       ILE  30  -4.630  -1.267  -4.641
  249   HG12  ILE  30          2HG1      ILE  30  -5.390  -3.530  -2.775
  250   HG13  ILE  30          1HG1      ILE  30  -3.757  -3.153  -3.301
  251   HG21  ILE  30          1HG2      ILE  30  -7.410  -2.288  -4.010
  252   HG22  ILE  30          2HG2      ILE  30  -6.969  -0.835  -4.908
  253   HG23  ILE  30          3HG2      ILE  30  -6.683  -0.916  -3.170
  254   HD11  ILE  30          3HD1      ILE  30  -3.713  -2.136  -1.290
  255   HD12  ILE  30          1HD1      ILE  30  -5.454  -1.857  -1.268
  256   HD13  ILE  30          2HD1      ILE  30  -4.401  -0.801  -2.214
  257    H    GLN  31           H        GLN  31  -4.520  -1.669  -7.506
  258    HA   GLN  31           HA       GLN  31  -6.990  -0.889  -8.714
  259    HB2  GLN  31           2HB      GLN  31  -4.810   0.229  -9.181
  260    HB3  GLN  31           1HB      GLN  31  -4.240  -1.230  -9.975
  261    HG2  GLN  31           2HG      GLN  31  -6.203  -0.862 -11.602
  262    HG3  GLN  31           1HG      GLN  31  -6.298   0.752 -10.905
  263   HE21  GLN  31          1HE2      GLN  31  -5.712   1.824 -12.819
  264   HE22  GLN  31          2HE2      GLN  31  -4.116   1.727 -13.469
  265    H    ASP  32           H        ASP  32  -4.813  -3.628  -9.369
  266    HA   ASP  32           HA       ASP  32  -6.227  -4.716 -11.592
  267    HB2  ASP  32           2HB      ASP  32  -4.574  -6.252  -9.574
  268    HB3  ASP  32           1HB      ASP  32  -4.986  -6.786 -11.207
  269    H    LYS  33           H        LYS  33  -6.566  -5.388  -8.105
  270    HA   LYS  33           HA       LYS  33  -8.578  -7.428  -8.521
  271    HB2  LYS  33           2HB      LYS  33  -7.854  -6.006  -5.955
  272    HB3  LYS  33           1HB      LYS  33  -8.704  -7.529  -6.085
  273    HG2  LYS  33           2HG      LYS  33  -6.227  -7.897  -7.418
  274    HG3  LYS  33           1HG      LYS  33  -5.872  -7.020  -5.933
  275    HD2  LYS  33           2HD      LYS  33  -7.097  -8.756  -4.660
  276    HD3  LYS  33           1HD      LYS  33  -7.342  -9.646  -6.165
  277    HE2  LYS  33           2HE      LYS  33  -4.950  -9.904  -6.439
  278    HE3  LYS  33           1HE      LYS  33  -4.653  -8.917  -5.009
  279    HZ1  LYS  33           3HZ      LYS  33  -5.953 -11.583  -5.090
  280    HZ2  LYS  33           1HZ      LYS  33  -5.859 -10.617  -3.705
  281    HZ3  LYS  33           2HZ      LYS  33  -4.446 -11.207  -4.422
  282    H    GLU  34           H        GLU  34  -8.736  -4.033  -7.408
  283    HA   GLU  34           HA       GLU  34 -11.686  -4.250  -7.391
  284    HB2  GLU  34           2HB      GLU  34  -9.805  -2.562  -5.773
  285    HB3  GLU  34           1HB      GLU  34 -11.554  -2.345  -5.764
  286    HG2  GLU  34           2HG      GLU  34 -10.306  -5.005  -5.242
  287    HG3  GLU  34           1HG      GLU  34 -10.457  -3.809  -3.926
  288    H    GLY  35           H        GLY  35  -9.316  -2.725  -9.308
  289    HA2  GLY  35           2HA      GLY  35  -9.615  -1.315 -11.073
  290    HA3  GLY  35           1HA      GLY  35 -11.315  -1.227 -10.675
  291    H    ILE  36           H        ILE  36  -9.289  -0.270  -8.067
  292    HA   ILE  36           HA       ILE  36 -10.102   2.513  -8.344
  293    HB   ILE  36           HB       ILE  36  -8.356   1.306  -6.170
  294   HG12  ILE  36          2HG1      ILE  36 -11.311   1.751  -5.749
  295   HG13  ILE  36          1HG1      ILE  36 -10.774   0.268  -6.521
  296   HG21  ILE  36          1HG2      ILE  36 -10.153   3.733  -6.040
  297   HG22  ILE  36          2HG2      ILE  36  -8.426   3.806  -6.387
  298   HG23  ILE  36          3HG2      ILE  36  -8.989   3.195  -4.830
  299   HD11  ILE  36          3HD1      ILE  36  -9.955   1.239  -3.798
  300   HD12  ILE  36          1HD1      ILE  36  -9.373  -0.232  -4.580
  301   HD13  ILE  36          2HD1      ILE  36 -11.078  -0.073  -4.159
  302    HA   PRO  37           HA       PRO  37  -6.104   3.364 -10.382
  303    HB2  PRO  37           2HB      PRO  37  -6.763   6.251 -10.086
  304    HB3  PRO  37           1HB      PRO  37  -6.469   5.316 -11.557
  305    HG2  PRO  37           2HG      PRO  37  -8.921   6.174 -10.904
  306    HG3  PRO  37           1HG      PRO  37  -8.662   4.613 -11.706
  307    HD2  PRO  37           2HD      PRO  37  -9.174   5.182  -8.798
  308    HD3  PRO  37           1HD      PRO  37  -9.879   3.932  -9.844
  309    HA   PRO  38           HA       PRO  38  -3.519   3.997  -6.816
  310    HB2  PRO  38           2HB      PRO  38  -1.448   5.161  -8.663
  311    HB3  PRO  38           1HB      PRO  38  -1.303   3.808  -7.534
  312    HG2  PRO  38           2HG      PRO  38  -1.465   3.381 -10.148
  313    HG3  PRO  38           1HG      PRO  38  -2.291   2.311  -9.000
  314    HD2  PRO  38           2HD      PRO  38  -3.422   4.505 -10.702
  315    HD3  PRO  38           1HD      PRO  38  -4.084   2.895 -10.349
  316    H    ASP  39           H        ASP  39  -3.824   6.765  -9.038
  317    HA   ASP  39           HA       ASP  39  -2.781   8.643  -7.207
  318    HB2  ASP  39           2HB      ASP  39  -3.638  10.383  -8.685
  319    HB3  ASP  39           1HB      ASP  39  -2.856   9.122  -9.615
  320    H    GLN  40           H        GLN  40  -5.890   7.100  -7.216
  321    HA   GLN  40           HA       GLN  40  -7.115   9.199  -5.572
  322    HB2  GLN  40           2HB      GLN  40  -8.287   6.754  -6.905
  323    HB3  GLN  40           1HB      GLN  40  -9.194   7.841  -5.866
  324    HG2  GLN  40           2HG      GLN  40  -8.453   9.683  -7.484
  325    HG3  GLN  40           1HG      GLN  40  -8.006   8.360  -8.561
  326   HE21  GLN  40          1HE2      GLN  40  -9.532   8.288 -10.134
  327   HE22  GLN  40          2HE2      GLN  40 -11.235   8.292  -9.847
  328    H    GLN  41           H        GLN  41  -5.238   6.470  -5.035
  329    HA   GLN  41           HA       GLN  41  -6.713   5.497  -2.674
  330    HB2  GLN  41           2HB      GLN  41  -4.501   4.387  -4.373
  331    HB3  GLN  41           1HB      GLN  41  -4.897   3.681  -2.811
  332    HG2  GLN  41           2HG      GLN  41  -7.254   3.436  -3.654
  333    HG3  GLN  41           1HG      GLN  41  -6.640   3.878  -5.246
  334   HE21  GLN  41          1HE2      GLN  41  -6.054   2.215  -6.530
  335   HE22  GLN  41          2HE2      GLN  41  -5.602   0.645  -5.969
  336    H    ARG  42           H        ARG  42  -6.025   5.759  -0.599
  337    HA   ARG  42           HA       ARG  42  -3.292   6.719  -0.126
  338    HB2  ARG  42           2HB      ARG  42  -5.785   7.484   1.431
  339    HB3  ARG  42           1HB      ARG  42  -4.146   7.920   1.893
  340    HG2  ARG  42           2HG      ARG  42  -3.939   9.200  -0.214
  341    HG3  ARG  42           1HG      ARG  42  -5.631   8.834  -0.558
  342    HD2  ARG  42           2HD      ARG  42  -6.392  10.099   1.272
  343    HD3  ARG  42           1HD      ARG  42  -4.791  10.159   2.007
  344    HE   ARG  42           HE       ARG  42  -4.985  11.465  -0.569
  345   HH11  ARG  42          1HH1      ARG  42  -5.275  11.994   2.934
  346   HH12  ARG  42          2HH1      ARG  42  -4.983  13.692   2.792
  347   HH21  ARG  42          1HH2      ARG  42  -4.607  13.687  -0.674
  348   HH22  ARG  42          2HH2      ARG  42  -4.609  14.644   0.768
  349    H    LEU  43           H        LEU  43  -2.129   5.366   1.211
  350    HA   LEU  43           HA       LEU  43  -3.621   3.227   2.610
  351    HB2  LEU  43           2HB      LEU  43  -0.795   3.280   1.521
  352    HB3  LEU  43           1HB      LEU  43  -1.494   1.986   2.484
  353    HG   LEU  43           HG       LEU  43  -2.585   2.833  -0.205
  354   HD11  LEU  43          1HD1      LEU  43  -0.712   0.566   0.469
  355   HD12  LEU  43          2HD1      LEU  43  -0.322   1.995  -0.487
  356   HD13  LEU  43          3HD1      LEU  43  -1.492   0.822  -1.092
  357   HD21  LEU  43          3HD2      LEU  43  -3.665   0.595  -0.100
  358   HD22  LEU  43          1HD2      LEU  43  -4.232   1.711   1.144
  359   HD23  LEU  43          2HD2      LEU  43  -3.086   0.436   1.559
  360    H    ILE  44           H        ILE  44  -3.510   3.041   4.756
  361    HA   ILE  44           HA       ILE  44  -1.511   4.618   6.271
  362    HB   ILE  44           HB       ILE  44  -4.490   4.353   6.663
  363   HG12  ILE  44          2HG1      ILE  44  -3.835   6.938   7.245
  364   HG13  ILE  44          1HG1      ILE  44  -2.550   6.566   6.118
  365   HG21  ILE  44          1HG2      ILE  44  -2.489   5.082   8.809
  366   HG22  ILE  44          2HG2      ILE  44  -3.718   3.819   8.857
  367   HG23  ILE  44          3HG2      ILE  44  -4.198   5.515   8.887
  368   HD11  ILE  44          3HD1      ILE  44  -4.846   5.639   4.851
  369   HD12  ILE  44          1HD1      ILE  44  -3.928   7.105   4.504
  370   HD13  ILE  44          2HD1      ILE  44  -5.307   7.167   5.602
  371    H    PHE  45           H        PHE  45  -0.444   3.609   7.864
  372    HA   PHE  45           HA       PHE  45  -1.390   1.016   8.873
  373    HB2  PHE  45           2HB      PHE  45   0.329   0.548   7.144
  374    HB3  PHE  45           1HB      PHE  45   1.471   1.576   8.000
  375    HD1  PHE  45           1HD      PHE  45  -0.751  -1.356   8.653
  376    HD2  PHE  45           2HD      PHE  45   3.007   0.504   9.395
  377    HE1  PHE  45           1HE      PHE  45  -0.057  -3.295   9.994
  378    HE2  PHE  45           2HE      PHE  45   3.707  -1.438  10.733
  379    HZ   PHE  45           HZ       PHE  45   2.171  -3.338  11.037
  380    H    ALA  46           H        ALA  46  -1.440   1.085  11.121
  381    HA   ALA  46           HA       ALA  46  -1.257   1.947  13.235
  382    HB1  ALA  46           1HB      ALA  46   0.977   2.003  14.106
  383    HB2  ALA  46           2HB      ALA  46   1.653   2.208  12.490
  384    HB3  ALA  46           3HB      ALA  46   0.861   0.694  12.930
  385    H    GLY  47           H        GLY  47  -2.294   3.881  11.622
  386    HA2  GLY  47           2HA      GLY  47  -2.850   6.095  11.746
  387    HA3  GLY  47           1HA      GLY  47  -1.688   6.270  13.039
  388    H    LYS  48           H        LYS  48   0.018   5.088  10.364
  389    HA   LYS  48           HA       LYS  48   0.835   7.824   9.580
  390    HB2  LYS  48           2HB      LYS  48   2.482   5.329   9.216
  391    HB3  LYS  48           1HB      LYS  48   3.031   6.984   9.099
  392    HG2  LYS  48           2HG      LYS  48   2.846   7.298  11.467
  393    HG3  LYS  48           1HG      LYS  48   2.064   5.729  11.661
  394    HD2  LYS  48           2HD      LYS  48   4.836   6.014  10.516
  395    HD3  LYS  48           1HD      LYS  48   4.546   5.881  12.250
  396    HE2  LYS  48           2HE      LYS  48   3.357   3.743  11.842
  397    HE3  LYS  48           1HE      LYS  48   3.783   3.868  10.135
  398    HZ1  LYS  48           3HZ      LYS  48   6.086   3.718  10.678
  399    HZ2  LYS  48           1HZ      LYS  48   5.294   2.439  11.452
  400    HZ3  LYS  48           2HZ      LYS  48   5.771   3.799  12.337
  401    H    GLN  49           H        GLN  49   0.862   8.480   7.460
  402    HA   GLN  49           HA       GLN  49  -0.459   6.790   5.490
  403    HB2  GLN  49           2HB      GLN  49  -0.602   9.394   5.799
  404    HB3  GLN  49           1HB      GLN  49   0.856   9.427   4.823
  405    HG2  GLN  49           2HG      GLN  49  -0.341   8.195   3.050
  406    HG3  GLN  49           1HG      GLN  49  -1.808   8.271   4.025
  407   HE21  GLN  49          1HE2      GLN  49  -3.065  10.100   3.946
  408   HE22  GLN  49          2HE2      GLN  49  -2.640  11.509   3.043
  409    H    LEU  50           H        LEU  50   0.616   5.496   4.003
  410    HA   LEU  50           HA       LEU  50   3.512   5.332   4.130
  411    HB2  LEU  50           2HB      LEU  50   1.688   3.679   2.386
  412    HB3  LEU  50           1HB      LEU  50   3.329   3.321   2.867
  413    HG   LEU  50           HG       LEU  50   0.962   3.415   4.741
  414   HD11  LEU  50          1HD1      LEU  50   0.773   1.570   3.166
  415   HD12  LEU  50          2HD1      LEU  50   1.125   0.980   4.790
  416   HD13  LEU  50          3HD1      LEU  50   2.404   1.038   3.576
  417   HD21  LEU  50          3HD2      LEU  50   2.963   3.905   5.957
  418   HD22  LEU  50          1HD2      LEU  50   3.832   2.594   5.161
  419   HD23  LEU  50          2HD2      LEU  50   2.533   2.229   6.294
  420    H    GLU  51           H        GLU  51   4.974   5.954   2.565
  421    HA   GLU  51           HA       GLU  51   3.951   7.542   0.326
  422    HB2  GLU  51           2HB      GLU  51   6.728   7.185   1.464
  423    HB3  GLU  51           1HB      GLU  51   6.396   8.123   0.011
  424    HG2  GLU  51           2HG      GLU  51   4.753   9.442   1.435
  425    HG3  GLU  51           1HG      GLU  51   5.534   8.717   2.829
  426    H    ASP  52           H        ASP  52   4.317   7.208  -1.849
  427    HA   ASP  52           HA       ASP  52   4.355   4.548  -2.731
  428    HB2  ASP  52           2HB      ASP  52   4.668   7.116  -4.285
  429    HB3  ASP  52           1HB      ASP  52   4.510   5.527  -5.031
  430    H    GLY  53           H        GLY  53   7.072   6.774  -2.396
  431    HA2  GLY  53           2HA      GLY  53   8.839   5.111  -4.005
  432    HA3  GLY  53           1HA      GLY  53   9.282   6.553  -3.115
  433    H    ARG  54           H        ARG  54   7.700   4.609  -0.880
  434    HA   ARG  54           HA       ARG  54  10.265   3.468   0.081
  435    HB2  ARG  54           2HB      ARG  54   7.707   4.073   1.585
  436    HB3  ARG  54           1HB      ARG  54   9.134   3.343   2.294
  437    HG2  ARG  54           2HG      ARG  54   8.832   6.165   1.270
  438    HG3  ARG  54           1HG      ARG  54   9.058   5.629   2.922
  439    HD2  ARG  54           2HD      ARG  54  11.309   4.855   2.407
  440    HD3  ARG  54           1HD      ARG  54  11.098   5.318   0.718
  441    HE   ARG  54           HE       ARG  54  11.683   7.050   2.943
  442   HH11  ARG  54          1HH1      ARG  54  10.390   7.014  -0.364
  443   HH12  ARG  54          2HH1      ARG  54  10.738   8.688  -0.617
  444   HH21  ARG  54          1HH2      ARG  54  12.108   9.231   2.547
  445   HH22  ARG  54          2HH2      ARG  54  11.705   9.935   1.015
  446    H    THR  55           H        THR  55  10.089   1.378   1.316
  447    HA   THR  55           HA       THR  55   8.307  -0.522  -0.104
  448    HB   THR  55           HB       THR  55   9.852  -2.279   0.500
  449    HG1  THR  55           1HG      THR  55  11.454  -2.014   1.877
  450   HG21  THR  55          3HG2      THR  55  11.611  -1.858  -0.928
  451   HG22  THR  55          1HG2      THR  55  11.678  -0.146  -0.508
  452   HG23  THR  55          2HG2      THR  55  10.358  -0.758  -1.507
  453    H    LEU  56           H        LEU  56   7.619  -2.449   1.116
  454    HA   LEU  56           HA       LEU  56   6.128  -1.840   3.437
  455    HB2  LEU  56           2HB      LEU  56   7.020  -4.540   2.433
  456    HB3  LEU  56           1HB      LEU  56   5.786  -4.273   3.655
  457    HG   LEU  56           HG       LEU  56   5.597  -3.368   0.778
  458   HD11  LEU  56          1HD1      LEU  56   5.579  -5.806   1.001
  459   HD12  LEU  56          2HD1      LEU  56   4.012  -5.178   0.489
  460   HD13  LEU  56          3HD1      LEU  56   4.255  -5.685   2.160
  461   HD21  LEU  56          3HD2      LEU  56   3.678  -3.252   3.102
  462   HD22  LEU  56          1HD2      LEU  56   3.146  -3.123   1.425
  463   HD23  LEU  56          2HD2      LEU  56   4.249  -1.923   2.096
  464    H    SER  57           H        SER  57   9.367  -3.282   3.207
  465    HA   SER  57           HA       SER  57   9.585  -4.026   5.954
  466    HB2  SER  57           2HB      SER  57  11.074  -5.111   4.391
  467    HB3  SER  57           1HB      SER  57  11.734  -3.552   3.883
  468    HG   SER  57           HG       SER  57  12.855  -5.009   5.572
  469    H    ASP  58           H        ASP  58  10.228  -0.990   4.235
  470    HA   ASP  58           HA       ASP  58  11.767   0.308   6.226
  471    HB2  ASP  58           2HB      ASP  58   9.872   1.505   4.184
  472    HB3  ASP  58           1HB      ASP  58  10.982   2.443   5.171
  473    H    TYR  59           H        TYR  59   8.292  -0.234   6.040
  474    HA   TYR  59           HA       TYR  59   7.811   1.472   8.395
  475    HB2  TYR  59           2HB      TYR  59   5.945   0.134   6.415
  476    HB3  TYR  59           1HB      TYR  59   5.370   0.917   7.885
  477    HD1  TYR  59           1HD      TYR  59   5.519   3.352   8.138
  478    HD2  TYR  59           2HD      TYR  59   6.745   1.438   4.541
  479    HE1  TYR  59           1HE      TYR  59   5.486   5.521   6.979
  480    HE2  TYR  59           2HE      TYR  59   6.713   3.601   3.375
  481    HH   TYR  59           HH       TYR  59   6.941   6.321   4.528
  482    H    ASN  60           H        ASN  60   8.950  -1.550   8.150
  483    HA   ASN  60           HA       ASN  60   8.934  -3.448   9.336
  484    HB2  ASN  60           2HB      ASN  60   7.853  -1.572  11.448
  485    HB3  ASN  60           1HB      ASN  60   8.358  -3.224  11.785
  486   HD21  ASN  60          1HD2      ASN  60  10.204  -2.988  12.959
  487   HD22  ASN  60          2HD2      ASN  60  11.571  -2.070  12.438
  488    H    ILE  61           H        ILE  61   6.748  -3.260   7.586
  489    HA   ILE  61           HA       ILE  61   4.389  -4.241   8.991
  490    HB   ILE  61           HB       ILE  61   4.910  -3.974   6.005
  491   HG12  ILE  61          2HG1      ILE  61   3.141  -2.277   7.774
  492   HG13  ILE  61          1HG1      ILE  61   4.797  -1.841   7.389
  493   HG21  ILE  61          1HG2      ILE  61   2.415  -4.193   5.802
  494   HG22  ILE  61          2HG2      ILE  61   2.373  -4.672   7.499
  495   HG23  ILE  61          3HG2      ILE  61   3.229  -5.669   6.323
  496   HD11  ILE  61          3HD1      ILE  61   4.053  -2.002   4.935
  497   HD12  ILE  61          1HD1      ILE  61   3.545  -0.607   5.885
  498   HD13  ILE  61          2HD1      ILE  61   2.415  -1.927   5.587
  499    H    GLN  62           H        GLN  62   4.069  -6.318   9.501
  500    HA   GLN  62           HA       GLN  62   5.809  -8.423   8.348
  501    HB2  GLN  62           2HB      GLN  62   4.491  -8.096  11.050
  502    HB3  GLN  62           1HB      GLN  62   5.306  -9.571  10.544
  503    HG2  GLN  62           2HG      GLN  62   7.405  -8.445  10.404
  504    HG3  GLN  62           1HG      GLN  62   6.640  -6.879  10.663
  505   HE21  GLN  62          1HE2      GLN  62   7.014  -6.110  12.664
  506   HE22  GLN  62          2HE2      GLN  62   7.118  -7.072  14.095
  507    H    LYS  63           H        LYS  63   4.810 -10.699   8.572
  508    HA   LYS  63           HA       LYS  63   2.633 -10.969   6.904
  509    HB2  LYS  63           2HB      LYS  63   2.399 -13.311   7.687
  510    HB3  LYS  63           1HB      LYS  63   4.054 -12.878   7.279
  511    HG2  LYS  63           2HG      LYS  63   4.484 -12.515   9.709
  512    HG3  LYS  63           1HG      LYS  63   2.880 -13.179  10.030
  513    HD2  LYS  63           2HD      LYS  63   3.488 -15.290   9.080
  514    HD3  LYS  63           1HD      LYS  63   5.019 -14.641   8.487
  515    HE2  LYS  63           2HE      LYS  63   5.762 -14.294  10.793
  516    HE3  LYS  63           1HE      LYS  63   4.230 -14.935  11.384
  517    HZ1  LYS  63           3HZ      LYS  63   6.182 -16.455   9.742
  518    HZ2  LYS  63           1HZ      LYS  63   4.751 -17.059  10.413
  519    HZ3  LYS  63           2HZ      LYS  63   6.024 -16.584  11.420
  520    H    GLU  64           H        GLU  64   0.418 -11.255   7.068
  521    HA   GLU  64           HA       GLU  64  -1.690 -11.063   7.850
  522    HB2  GLU  64           2HB      GLU  64  -0.564 -11.928  10.515
  523    HB3  GLU  64           1HB      GLU  64  -2.273 -11.792  10.128
  524    HG2  GLU  64           2HG      GLU  64  -1.728 -13.446   8.214
  525    HG3  GLU  64           1HG      GLU  64  -0.266 -13.786   9.145
  526    H    SER  65           H        SER  65   0.265  -8.668   8.203
  527    HA   SER  65           HA       SER  65  -1.009  -7.096  10.291
  528    HB2  SER  65           2HB      SER  65   0.917  -6.435   8.056
  529    HB3  SER  65           1HB      SER  65   0.239  -5.197   9.112
  530    HG   SER  65           HG       SER  65   1.848  -5.715  10.370
  531    H    THR  66           H        THR  66  -2.397  -5.275   9.933
  532    HA   THR  66           HA       THR  66  -4.069  -5.463   7.499
  533    HB   THR  66           HB       THR  66  -4.816  -4.357  10.210
  534    HG1  THR  66           1HG      THR  66  -4.447  -6.511  10.510
  535   HG21  THR  66          3HG2      THR  66  -6.474  -5.185   7.836
  536   HG22  THR  66          1HG2      THR  66  -6.332  -3.571   8.533
  537   HG23  THR  66          2HG2      THR  66  -7.127  -4.858   9.441
  538    H    LEU  67           H        LEU  67  -4.005  -3.764   6.130
  539    HA   LEU  67           HA       LEU  67  -3.055  -1.125   7.036
  540    HB2  LEU  67           2HB      LEU  67  -3.275  -2.091   4.175
  541    HB3  LEU  67           1HB      LEU  67  -2.505  -0.629   4.758
  542    HG   LEU  67           HG       LEU  67  -0.932  -2.386   6.030
  543   HD11  LEU  67          1HD1      LEU  67  -2.041  -4.388   5.420
  544   HD12  LEU  67          2HD1      LEU  67  -0.489  -4.330   4.587
  545   HD13  LEU  67          3HD1      LEU  67  -1.974  -3.966   3.709
  546   HD21  LEU  67          3HD2      LEU  67  -0.063  -0.754   4.519
  547   HD22  LEU  67          1HD2      LEU  67  -0.712  -1.624   3.129
  548   HD23  LEU  67          2HD2      LEU  67   0.598  -2.329   4.078
  549    H    HIS  68           H        HIS  68  -4.268   0.737   6.233
  550    HA   HIS  68           HA       HIS  68  -7.105   0.134   5.642
  551    HB2  HIS  68           2HB      HIS  68  -5.827   2.475   7.080
  552    HB3  HIS  68           1HB      HIS  68  -7.531   2.395   6.671
  553    HD1  HIS  68           1HD      HIS  68  -4.969   0.478   8.708
  554    HD2  HIS  68           2HD      HIS  68  -9.056   1.215   8.613
  555    HE1  HIS  68           1HE      HIS  68  -5.885  -0.577  10.793
  556    H    LEU  69           H        LEU  69  -8.032   0.964   3.822
  557    HA   LEU  69           HA       LEU  69  -6.371   2.709   2.099
  558    HB2  LEU  69           2HB      LEU  69  -7.039   0.472   1.208
  559    HB3  LEU  69           1HB      LEU  69  -8.718   0.934   1.391
  560    HG   LEU  69           HG       LEU  69  -8.297   2.766  -0.267
  561   HD11  LEU  69          1HD1      LEU  69  -5.904   2.993  -0.032
  562   HD12  LEU  69          2HD1      LEU  69  -6.304   2.567  -1.696
  563   HD13  LEU  69          3HD1      LEU  69  -5.668   1.340  -0.600
  564   HD21  LEU  69          3HD2      LEU  69  -7.812  -0.070  -1.148
  565   HD22  LEU  69          1HD2      LEU  69  -8.249   1.257  -2.224
  566   HD23  LEU  69          2HD2      LEU  69  -9.373   0.731  -0.972
  567    H    VAL  70           H        VAL  70  -7.063   4.776   1.708
  568    HA   VAL  70           HA       VAL  70  -9.832   5.521   2.278
  569    HB   VAL  70           HB       VAL  70  -7.207   6.835   2.884
  570   HG11  VAL  70          1HG1      VAL  70  -9.804   8.389   2.730
  571   HG12  VAL  70          2HG1      VAL  70  -8.369   8.660   1.742
  572   HG13  VAL  70          3HG1      VAL  70  -8.321   8.988   3.475
  573   HG21  VAL  70          3HG2      VAL  70  -8.256   5.496   4.571
  574   HG22  VAL  70          1HG2      VAL  70  -9.655   6.572   4.562
  575   HG23  VAL  70          2HG2      VAL  70  -8.077   7.178   5.069
  576    H    LEU  71           H        LEU  71 -10.856   6.686   0.635
  577    HA   LEU  71           HA       LEU  71  -9.387   6.919  -1.904
  578    HB2  LEU  71           2HB      LEU  71 -12.368   6.935  -1.414
  579    HB3  LEU  71           1HB      LEU  71 -11.586   6.954  -2.982
  580    HG   LEU  71           HG       LEU  71 -11.262   4.677  -1.030
  581   HD11  LEU  71          1HD1      LEU  71 -13.173   4.835  -3.355
  582   HD12  LEU  71          2HD1      LEU  71 -13.637   4.960  -1.657
  583   HD13  LEU  71          3HD1      LEU  71 -12.932   3.465  -2.270
  584   HD21  LEU  71          3HD2      LEU  71 -10.681   4.989  -3.970
  585   HD22  LEU  71          1HD2      LEU  71 -10.616   3.458  -3.098
  586   HD23  LEU  71          2HD2      LEU  71  -9.512   4.765  -2.668
  587    H    ARG  72           H        ARG  72  -8.975   8.835  -2.845
  588    HA   ARG  72           HA       ARG  72  -9.888  11.285  -1.502
  589    HB2  ARG  72           2HB      ARG  72  -7.437  10.783  -2.019
  590    HB3  ARG  72           1HB      ARG  72  -7.835  11.070  -3.707
  591    HG2  ARG  72           2HG      ARG  72  -8.615  13.340  -3.079
  592    HG3  ARG  72           1HG      ARG  72  -8.052  13.032  -1.434
  593    HD2  ARG  72           2HD      ARG  72  -5.794  12.801  -2.180
  594    HD3  ARG  72           1HD      ARG  72  -6.291  12.845  -3.869
  595    HE   ARG  72           HE       ARG  72  -5.923  15.088  -2.098
  596   HH11  ARG  72          1HH1      ARG  72  -7.469  14.081  -5.132
  597   HH12  ARG  72          2HH1      ARG  72  -7.587  15.703  -5.718
  598   HH21  ARG  72          1HH2      ARG  72  -6.110  17.181  -2.925
  599   HH22  ARG  72          2HH2      ARG  72  -6.826  17.445  -4.481
  600    H    LEU  73           H        LEU  73 -11.498  12.492  -2.331
  601    HA   LEU  73           HA       LEU  73 -11.921  12.633  -5.228
  602    HB2  LEU  73           2HB      LEU  73 -14.021  11.749  -3.244
  603    HB3  LEU  73           1HB      LEU  73 -14.406  12.319  -4.857
  604    HG   LEU  73           HG       LEU  73 -12.612   9.946  -4.350
  605   HD11  LEU  73          1HD1      LEU  73 -14.539   8.539  -4.883
  606   HD12  LEU  73          2HD1      LEU  73 -15.572   9.967  -4.916
  607   HD13  LEU  73          3HD1      LEU  73 -14.803   9.469  -3.409
  608   HD21  LEU  73          3HD2      LEU  73 -13.211   9.419  -6.696
  609   HD22  LEU  73          1HD2      LEU  73 -12.310  10.925  -6.526
  610   HD23  LEU  73          2HD2      LEU  73 -14.053  10.967  -6.792
  611    H    ARG  74           H        ARG  74 -11.551  14.788  -5.463
  612    HA   ARG  74           HA       ARG  74 -12.738  16.706  -3.574
  613    HB2  ARG  74           2HB      ARG  74 -10.286  16.779  -4.306
  614    HB3  ARG  74           1HB      ARG  74 -10.874  17.336  -5.866
  615    HG2  ARG  74           2HG      ARG  74 -11.804  19.310  -4.888
  616    HG3  ARG  74           1HG      ARG  74 -11.469  18.719  -3.258
  617    HD2  ARG  74           2HD      ARG  74  -9.065  18.784  -3.741
  618    HD3  ARG  74           1HD      ARG  74  -9.409  19.393  -5.359
  619    HE   ARG  74           HE       ARG  74  -9.738  21.471  -4.476
  620   HH11  ARG  74          1HH1      ARG  74  -9.818  19.208  -1.742
  621   HH12  ARG  74          2HH1      ARG  74  -9.860  20.481  -0.570
  622   HH21  ARG  74          1HH2      ARG  74  -9.797  23.081  -2.894
  623   HH22  ARG  74          2HH2      ARG  74  -9.847  22.655  -1.216
  624    H    GLY  75           H        GLY  75 -14.504  17.899  -4.062
  625    HA2  GLY  75           2HA      GLY  75 -16.092  19.018  -5.307
  626    HA3  GLY  75           1HA      GLY  75 -15.158  18.671  -6.755
  627    H    GLY  76           H        GLY  76 -15.312  16.397  -7.623
  628    HA2  GLY  76           2HA      GLY  76 -18.077  15.614  -7.784
  629    HA3  GLY  76           1HA      GLY  76 -16.724  14.871  -8.624
  Start of MODEL    6
    1    H1   MET   1           1HT      MET   1   4.518 -13.663   1.113
    2    H2   MET   1           2HT      MET   1   5.879 -13.422   2.128
    3    H3   MET   1           3HT      MET   1   5.079 -12.080   1.424
    4    HA   MET   1           HA       MET   1   3.929 -13.957   3.352
    5    HB2  MET   1           2HB      MET   1   4.051 -12.013   4.919
    6    HB3  MET   1           1HB      MET   1   5.625 -12.593   4.420
    7    HG2  MET   1           2HG      MET   1   5.799 -10.730   2.835
    8    HG3  MET   1           1HG      MET   1   4.218 -10.155   3.365
    9    HE1  MET   1           2HE      MET   1   5.897  -7.375   5.148
   10    HE2  MET   1           3HE      MET   1   4.259  -8.032   5.126
   11    HE3  MET   1           1HE      MET   1   5.192  -7.936   3.632
   12    H    GLN   2           H        GLN   2   1.803 -13.397   4.081
   13    HA   GLN   2           HA       GLN   2   0.177 -11.962   2.085
   14    HB2  GLN   2           2HB      GLN   2  -0.588 -13.781   4.376
   15    HB3  GLN   2           1HB      GLN   2  -1.733 -13.013   3.285
   16    HG2  GLN   2           2HG      GLN   2  -0.810 -14.229   1.409
   17    HG3  GLN   2           1HG      GLN   2   0.418 -14.946   2.451
   18   HE21  GLN   2          1HE2      GLN   2  -3.095 -14.775   1.885
   19   HE22  GLN   2          2HE2      GLN   2  -3.437 -16.325   2.564
   20    H    ILE   3           H        ILE   3  -1.114 -10.219   2.554
   21    HA   ILE   3           HA       ILE   3  -1.086  -9.108   5.272
   22    HB   ILE   3           HB       ILE   3  -0.763  -6.841   4.420
   23   HG12  ILE   3          2HG1      ILE   3   0.158  -7.998   1.775
   24   HG13  ILE   3          1HG1      ILE   3  -1.497  -7.445   1.999
   25   HG21  ILE   3          1HG2      ILE   3   1.127  -7.983   5.318
   26   HG22  ILE   3          2HG2      ILE   3   1.664  -7.066   3.911
   27   HG23  ILE   3          3HG2      ILE   3   1.427  -8.811   3.789
   28   HD11  ILE   3          3HD1      ILE   3  -0.841  -5.229   2.293
   29   HD12  ILE   3          1HD1      ILE   3   0.163  -5.822   0.970
   30   HD13  ILE   3          2HD1      ILE   3   0.839  -5.674   2.593
   31    H    PHE   4           H        PHE   4  -2.949  -7.399   5.533
   32    HA   PHE   4           HA       PHE   4  -5.216  -8.038   3.752
   33    HB2  PHE   4           2HB      PHE   4  -5.219  -7.601   6.750
   34    HB3  PHE   4           1HB      PHE   4  -6.650  -7.809   5.763
   35    HD1  PHE   4           1HD      PHE   4  -7.195  -9.986   4.785
   36    HD2  PHE   4           2HD      PHE   4  -3.822  -9.486   7.334
   37    HE1  PHE   4           1HE      PHE   4  -7.052 -12.425   5.071
   38    HE2  PHE   4           2HE      PHE   4  -3.675 -11.924   7.624
   39    HZ   PHE   4           HZ       PHE   4  -5.291 -13.396   6.491
   40    H    VAL   5           H        VAL   5  -6.480  -6.319   3.063
   41    HA   VAL   5           HA       VAL   5  -5.801  -3.616   4.100
   42    HB   VAL   5           HB       VAL   5  -6.677  -4.229   1.255
   43   HG11  VAL   5          1HG1      VAL   5  -7.305  -1.963   2.148
   44   HG12  VAL   5          2HG1      VAL   5  -6.201  -1.905   0.775
   45   HG13  VAL   5          3HG1      VAL   5  -5.590  -1.646   2.408
   46   HG21  VAL   5          3HG2      VAL   5  -3.937  -3.562   2.352
   47   HG22  VAL   5          1HG2      VAL   5  -4.358  -3.558   0.636
   48   HG23  VAL   5          2HG2      VAL   5  -4.428  -5.060   1.557
   49    H    LYS   6           H        LYS   6  -7.512  -2.588   5.046
   50    HA   LYS   6           HA       LYS   6 -10.226  -3.656   4.645
   51    HB2  LYS   6           2HB      LYS   6  -8.824  -3.109   6.993
   52    HB3  LYS   6           1HB      LYS   6  -9.857  -1.696   6.847
   53    HG2  LYS   6           2HG      LYS   6 -11.811  -2.947   7.037
   54    HG3  LYS   6           1HG      LYS   6 -11.007  -4.451   6.590
   55    HD2  LYS   6           2HD      LYS   6 -11.437  -4.598   8.910
   56    HD3  LYS   6           1HD      LYS   6  -9.716  -4.264   8.752
   57    HE2  LYS   6           2HE      LYS   6 -10.064  -1.943   9.293
   58    HE3  LYS   6           1HE      LYS   6 -11.813  -2.160   9.276
   59    HZ1  LYS   6           3HZ      LYS   6  -9.890  -3.321  11.216
   60    HZ2  LYS   6           1HZ      LYS   6 -11.531  -3.730  11.153
   61    HZ3  LYS   6           2HZ      LYS   6 -11.068  -2.147  11.526
   62    H    THR   7           H        THR   7 -11.871  -2.407   3.819
   63    HA   THR   7           HA       THR   7 -11.154   0.281   2.884
   64    HB   THR   7           HB       THR   7 -12.840   0.073   1.200
   65    HG1  THR   7           1HG      THR   7 -14.412  -1.413   1.212
   66   HG21  THR   7          3HG2      THR   7 -11.665  -2.682   1.317
   67   HG22  THR   7          1HG2      THR   7 -10.771  -1.255   0.793
   68   HG23  THR   7          2HG2      THR   7 -12.199  -1.777  -0.099
   69    H    LEU   8           H        LEU   8 -12.821   1.990   2.888
   70    HA   LEU   8           HA       LEU   8 -13.869   2.353   5.481
   71    HB2  LEU   8           2HB      LEU   8 -14.614   3.863   2.986
   72    HB3  LEU   8           1HB      LEU   8 -14.960   4.387   4.624
   73    HG   LEU   8           HG       LEU   8 -12.171   3.903   3.617
   74   HD11  LEU   8          1HD1      LEU   8 -11.990   6.362   3.431
   75   HD12  LEU   8          2HD1      LEU   8 -13.730   6.478   3.697
   76   HD13  LEU   8          3HD1      LEU   8 -13.110   5.657   2.264
   77   HD21  LEU   8          3HD2      LEU   8 -13.205   5.433   6.001
   78   HD22  LEU   8          1HD2      LEU   8 -11.513   5.237   5.545
   79   HD23  LEU   8          2HD2      LEU   8 -12.457   3.837   6.051
   80    H    THR   9           H        THR   9 -15.325   0.538   3.034
   81    HA   THR   9           HA       THR   9 -18.090   0.941   3.983
   82    HB   THR   9           HB       THR   9 -18.826  -0.294   2.003
   83    HG1  THR   9           1HG      THR   9 -17.474  -1.335   0.722
   84   HG21  THR   9          3HG2      THR   9 -16.883   1.925   1.497
   85   HG22  THR   9          1HG2      THR   9 -18.643   1.935   1.381
   86   HG23  THR   9          2HG2      THR   9 -17.683   1.095   0.162
   87    H    GLY  10           H        GLY  10 -15.529  -1.280   4.551
   88    HA2  GLY  10           2HA      GLY  10 -15.925  -2.812   6.384
   89    HA3  GLY  10           1HA      GLY  10 -17.483  -3.195   5.690
   90    H    LYS  11           H        LYS  11 -14.866  -2.950   3.436
   91    HA   LYS  11           HA       LYS  11 -14.975  -5.854   3.128
   92    HB2  LYS  11           2HB      LYS  11 -15.462  -4.243   1.209
   93    HB3  LYS  11           1HB      LYS  11 -13.728  -3.994   1.111
   94    HG2  LYS  11           2HG      LYS  11 -13.386  -6.341   0.641
   95    HG3  LYS  11           1HG      LYS  11 -15.109  -6.659   0.848
   96    HD2  LYS  11           2HD      LYS  11 -15.550  -5.061  -1.025
   97    HD3  LYS  11           1HD      LYS  11 -13.807  -4.970  -1.283
   98    HE2  LYS  11           2HE      LYS  11 -13.705  -7.322  -1.784
   99    HE3  LYS  11           1HE      LYS  11 -15.405  -7.525  -1.363
  100    HZ1  LYS  11           3HZ      LYS  11 -15.109  -7.425  -3.750
  101    HZ2  LYS  11           1HZ      LYS  11 -14.356  -5.914  -3.628
  102    HZ3  LYS  11           2HZ      LYS  11 -15.989  -6.081  -3.220
  103    H    THR  12           H        THR  12 -13.202  -7.228   3.226
  104    HA   THR  12           HA       THR  12 -10.565  -6.009   3.795
  105    HB   THR  12           HB       THR  12 -11.519  -8.747   4.692
  106    HG1  THR  12           1HG      THR  12 -12.674  -7.499   5.979
  107   HG21  THR  12          3HG2      THR  12  -9.196  -7.106   5.701
  108   HG22  THR  12          1HG2      THR  12  -9.057  -8.465   4.585
  109   HG23  THR  12          2HG2      THR  12  -9.656  -8.727   6.223
  110    H    ILE  13           H        ILE  13  -9.068  -6.354   2.255
  111    HA   ILE  13           HA       ILE  13  -9.469  -8.564   0.326
  112    HB   ILE  13           HB       ILE  13  -7.559  -6.263  -0.198
  113   HG12  ILE  13          2HG1      ILE  13 -10.427  -6.214  -1.162
  114   HG13  ILE  13          1HG1      ILE  13  -9.898  -5.339   0.270
  115   HG21  ILE  13          1HG2      ILE  13  -7.377  -8.226  -1.606
  116   HG22  ILE  13          2HG2      ILE  13  -7.988  -6.863  -2.543
  117   HG23  ILE  13          3HG2      ILE  13  -9.092  -8.129  -2.007
  118   HD11  ILE  13          3HD1      ILE  13  -8.301  -4.086  -1.109
  119   HD12  ILE  13          1HD1      ILE  13  -9.972  -3.859  -1.623
  120   HD13  ILE  13          2HD1      ILE  13  -8.905  -4.924  -2.537
  121    H    THR  14           H        THR  14  -7.818 -10.082   0.031
  122    HA   THR  14           HA       THR  14  -5.529  -9.900   1.878
  123    HB   THR  14           HB       THR  14  -6.446 -12.376   0.401
  124    HG1  THR  14           1HG      THR  14  -7.323 -11.488   2.960
  125   HG21  THR  14          3HG2      THR  14  -4.186 -12.282   1.558
  126   HG22  THR  14          1HG2      THR  14  -5.259 -13.615   1.985
  127   HG23  THR  14          2HG2      THR  14  -5.092 -12.235   3.071
  128    H    LEU  15           H        LEU  15  -3.507  -9.667   1.069
  129    HA   LEU  15           HA       LEU  15  -3.143 -10.042  -1.846
  130    HB2  LEU  15           2HB      LEU  15  -1.903  -7.866  -0.155
  131    HB3  LEU  15           1HB      LEU  15  -1.639  -8.109  -1.871
  132    HG   LEU  15           HG       LEU  15  -4.341  -7.460  -0.690
  133   HD11  LEU  15          1HD1      LEU  15  -2.264  -5.618  -1.857
  134   HD12  LEU  15          2HD1      LEU  15  -2.899  -5.603  -0.212
  135   HD13  LEU  15          3HD1      LEU  15  -3.946  -5.173  -1.565
  136   HD21  LEU  15          3HD2      LEU  15  -4.422  -8.551  -2.865
  137   HD22  LEU  15          1HD2      LEU  15  -3.286  -7.369  -3.516
  138   HD23  LEU  15          2HD2      LEU  15  -4.894  -6.857  -3.003
  139    H    GLU  16           H        GLU  16  -1.200 -10.896  -2.547
  140    HA   GLU  16           HA       GLU  16   0.564 -12.052  -0.483
  141    HB2  GLU  16           2HB      GLU  16  -0.441 -13.519  -2.336
  142    HB3  GLU  16           1HB      GLU  16   0.613 -12.667  -3.455
  143    HG2  GLU  16           2HG      GLU  16   1.693 -14.047  -1.020
  144    HG3  GLU  16           1HG      GLU  16   1.389 -14.919  -2.521
  145    H    VAL  17           H        VAL  17   2.439 -10.941  -0.095
  146    HA   VAL  17           HA       VAL  17   3.625  -9.284  -2.236
  147    HB   VAL  17           HB       VAL  17   4.003  -7.456  -0.586
  148   HG11  VAL  17          1HG1      VAL  17   2.213  -7.272  -2.185
  149   HG12  VAL  17          2HG1      VAL  17   1.683  -6.606  -0.640
  150   HG13  VAL  17          3HG1      VAL  17   1.138  -8.206  -1.143
  151   HG21  VAL  17          3HG2      VAL  17   3.720  -8.847   1.481
  152   HG22  VAL  17          1HG2      VAL  17   1.986  -8.890   1.157
  153   HG23  VAL  17          2HG2      VAL  17   2.782  -7.353   1.492
  154    H    GLU  18           H        GLU  18   5.835  -8.467  -1.613
  155    HA   GLU  18           HA       GLU  18   7.305 -10.328   0.160
  156    HB2  GLU  18           2HB      GLU  18   8.208  -8.968  -2.406
  157    HB3  GLU  18           1HB      GLU  18   9.292  -9.813  -1.311
  158    HG2  GLU  18           2HG      GLU  18   6.923 -11.134  -2.601
  159    HG3  GLU  18           1HG      GLU  18   8.521 -11.088  -3.345
  160    HA   PRO  19           HA       PRO  19   8.179  -6.709   2.599
  161    HB2  PRO  19           2HB      PRO  19  11.000  -7.558   2.962
  162    HB3  PRO  19           1HB      PRO  19   9.743  -7.208   4.157
  163    HG2  PRO  19           2HG      PRO  19  10.483  -9.734   3.607
  164    HG3  PRO  19           1HG      PRO  19   8.806  -9.312   3.989
  165    HD2  PRO  19           2HD      PRO  19  10.037  -9.882   1.303
  166    HD3  PRO  19           1HD      PRO  19   8.444 -10.351   1.948
  167    H    SER  20           H        SER  20  10.400  -7.414  -0.058
  168    HA   SER  20           HA       SER  20  11.551  -4.754  -0.103
  169    HB2  SER  20           2HB      SER  20  12.626  -5.597  -2.235
  170    HB3  SER  20           1HB      SER  20  13.003  -6.509  -0.775
  171    HG   SER  20           HG       SER  20  12.187  -7.556  -2.929
  172    H    ASP  21           H        ASP  21   8.474  -5.760  -1.041
  173    HA   ASP  21           HA       ASP  21   8.274  -4.526  -3.621
  174    HB2  ASP  21           2HB      ASP  21   6.249  -5.514  -1.620
  175    HB3  ASP  21           1HB      ASP  21   5.738  -4.606  -3.034
  176    H    THR  22           H        THR  22   7.500  -2.473  -4.116
  177    HA   THR  22           HA       THR  22   7.712  -0.429  -2.058
  178    HB   THR  22           HB       THR  22   7.513   1.168  -3.884
  179    HG1  THR  22           1HG      THR  22   6.970   0.596  -5.873
  180   HG21  THR  22          3HG2      THR  22   9.431  -1.055  -4.527
  181   HG22  THR  22          1HG2      THR  22   9.741   0.366  -3.528
  182   HG23  THR  22          2HG2      THR  22   9.457   0.549  -5.259
  183    H    ILE  23           H        ILE  23   6.068   1.229  -1.741
  184    HA   ILE  23           HA       ILE  23   3.426   0.253  -1.333
  185    HB   ILE  23           HB       ILE  23   4.480   3.076  -1.430
  186   HG12  ILE  23          2HG1      ILE  23   5.517   1.717   0.281
  187   HG13  ILE  23          1HG1      ILE  23   4.503   2.943   1.020
  188   HG21  ILE  23          1HG2      ILE  23   1.818   2.178  -0.342
  189   HG22  ILE  23          2HG2      ILE  23   2.072   3.162  -1.783
  190   HG23  ILE  23          3HG2      ILE  23   2.497   3.799  -0.195
  191   HD11  ILE  23          3HD1      ILE  23   4.233   0.916   2.237
  192   HD12  ILE  23          1HD1      ILE  23   3.894   0.008   0.765
  193   HD13  ILE  23          2HD1      ILE  23   2.743   1.213   1.342
  194    H    GLU  24           H        GLU  24   4.782   2.198  -4.034
  195    HA   GLU  24           HA       GLU  24   2.391   2.626  -5.517
  196    HB2  GLU  24           2HB      GLU  24   4.674   3.641  -6.006
  197    HB3  GLU  24           1HB      GLU  24   5.137   2.092  -6.694
  198    HG2  GLU  24           2HG      GLU  24   3.534   2.316  -8.448
  199    HG3  GLU  24           1HG      GLU  24   2.814   3.732  -7.682
  200    H    ASN  25           H        ASN  25   4.547  -0.212  -5.351
  201    HA   ASN  25           HA       ASN  25   3.205  -1.699  -7.435
  202    HB2  ASN  25           2HB      ASN  25   5.585  -2.120  -6.478
  203    HB3  ASN  25           1HB      ASN  25   4.760  -2.975  -5.180
  204   HD21  ASN  25          1HD2      ASN  25   4.352  -5.101  -5.487
  205   HD22  ASN  25          2HD2      ASN  25   4.384  -5.894  -7.021
  206    H    VAL  26           H        VAL  26   2.792  -1.550  -3.904
  207    HA   VAL  26           HA       VAL  26   0.780  -3.599  -3.735
  208    HB   VAL  26           HB       VAL  26   1.289  -1.221  -1.897
  209   HG11  VAL  26          1HG1      VAL  26   0.023  -2.453  -0.188
  210   HG12  VAL  26          2HG1      VAL  26  -0.377  -3.694  -1.376
  211   HG13  VAL  26          3HG1      VAL  26  -0.995  -2.054  -1.573
  212   HG21  VAL  26          3HG2      VAL  26   2.052  -4.091  -1.442
  213   HG22  VAL  26          1HG2      VAL  26   2.559  -2.664  -0.540
  214   HG23  VAL  26          2HG2      VAL  26   3.133  -2.912  -2.187
  215    H    LYS  27           H        LYS  27   0.541  -0.064  -4.318
  216    HA   LYS  27           HA       LYS  27  -2.289   0.058  -4.403
  217    HB2  LYS  27           2HB      LYS  27  -0.262   1.731  -5.926
  218    HB3  LYS  27           1HB      LYS  27  -1.974   2.098  -5.822
  219    HG2  LYS  27           2HG      LYS  27  -1.315   2.054  -3.164
  220    HG3  LYS  27           1HG      LYS  27   0.207   2.633  -3.899
  221    HD2  LYS  27           2HD      LYS  27  -1.279   4.276  -5.162
  222    HD3  LYS  27           1HD      LYS  27  -2.511   3.862  -3.970
  223    HE2  LYS  27           2HE      LYS  27   0.262   4.765  -3.206
  224    HE3  LYS  27           1HE      LYS  27  -1.069   5.895  -3.467
  225    HZ1  LYS  27           3HZ      LYS  27  -0.800   5.301  -1.126
  226    HZ2  LYS  27           1HZ      LYS  27  -1.084   3.676  -1.495
  227    HZ3  LYS  27           2HZ      LYS  27  -2.309   4.819  -1.715
  228    H    ALA  28           H        ALA  28   0.111  -0.704  -6.943
  229    HA   ALA  28           HA       ALA  28  -1.687  -0.774  -9.127
  230    HB1  ALA  28           1HB      ALA  28   0.678  -0.703  -9.556
  231    HB2  ALA  28           2HB      ALA  28   0.016  -2.165 -10.285
  232    HB3  ALA  28           3HB      ALA  28   0.912  -2.264  -8.770
  233    H    LYS  29           H        LYS  29  -0.762  -3.281  -6.782
  234    HA   LYS  29           HA       LYS  29  -2.215  -5.486  -7.969
  235    HB2  LYS  29           2HB      LYS  29  -1.289  -4.984  -5.129
  236    HB3  LYS  29           1HB      LYS  29  -2.056  -6.474  -5.660
  237    HG2  LYS  29           2HG      LYS  29  -0.240  -7.033  -7.059
  238    HG3  LYS  29           1HG      LYS  29   0.457  -5.418  -6.922
  239    HD2  LYS  29           2HD      LYS  29   1.069  -5.785  -4.653
  240    HD3  LYS  29           1HD      LYS  29   0.120  -7.269  -4.569
  241    HE2  LYS  29           2HE      LYS  29   2.443  -6.950  -6.454
  242    HE3  LYS  29           1HE      LYS  29   2.643  -7.512  -4.797
  243    HZ1  LYS  29           3HZ      LYS  29   1.162  -9.350  -5.263
  244    HZ2  LYS  29           1HZ      LYS  29   2.446  -9.349  -6.366
  245    HZ3  LYS  29           2HZ      LYS  29   0.919  -8.800  -6.844
  246    H    ILE  30           H        ILE  30  -3.117  -2.961  -5.615
  247    HA   ILE  30           HA       ILE  30  -5.757  -4.025  -5.113
  248    HB   ILE  30           HB       ILE  30  -4.590  -1.263  -4.643
  249   HG12  ILE  30          2HG1      ILE  30  -5.350  -3.529  -2.782
  250   HG13  ILE  30          1HG1      ILE  30  -3.717  -3.144  -3.301
  251   HG21  ILE  30          1HG2      ILE  30  -7.372  -2.280  -4.011
  252   HG22  ILE  30          2HG2      ILE  30  -6.931  -0.831  -4.913
  253   HG23  ILE  30          3HG2      ILE  30  -6.645  -0.907  -3.176
  254   HD11  ILE  30          3HD1      ILE  30  -5.427  -1.861  -1.269
  255   HD12  ILE  30          1HD1      ILE  30  -4.377  -0.797  -2.210
  256   HD13  ILE  30          2HD1      ILE  30  -3.683  -2.131  -1.287
  257    H    GLN  31           H        GLN  31  -4.480  -1.669  -7.504
  258    HA   GLN  31           HA       GLN  31  -6.945  -0.887  -8.715
  259    HB2  GLN  31           2HB      GLN  31  -4.746   0.213  -9.179
  260    HB3  GLN  31           1HB      GLN  31  -4.200  -1.254  -9.979
  261    HG2  GLN  31           2HG      GLN  31  -6.391  -0.710 -11.462
  262    HG3  GLN  31           1HG      GLN  31  -5.991   0.918 -10.928
  263   HE21  GLN  31          1HE2      GLN  31  -3.306   1.086 -11.024
  264   HE22  GLN  31          2HE2      GLN  31  -2.724   0.754 -12.616
  265    H    ASP  32           H        ASP  32  -4.769  -3.630  -9.368
  266    HA   ASP  32           HA       ASP  32  -6.183  -4.719 -11.588
  267    HB2  ASP  32           2HB      ASP  32  -4.543  -6.274  -9.575
  268    HB3  ASP  32           1HB      ASP  32  -4.939  -6.783 -11.219
  269    H    LYS  33           H        LYS  33  -6.524  -5.393  -8.100
  270    HA   LYS  33           HA       LYS  33  -8.537  -7.432  -8.518
  271    HB2  LYS  33           2HB      LYS  33  -7.788  -5.996  -5.971
  272    HB3  LYS  33           1HB      LYS  33  -8.690  -7.493  -6.073
  273    HG2  LYS  33           2HG      LYS  33  -6.289  -8.050  -7.408
  274    HG3  LYS  33           1HG      LYS  33  -5.813  -7.054  -6.033
  275    HD2  LYS  33           2HD      LYS  33  -7.000  -8.593  -4.526
  276    HD3  LYS  33           1HD      LYS  33  -7.453  -9.584  -5.910
  277    HE2  LYS  33           2HE      LYS  33  -4.549  -9.044  -5.576
  278    HE3  LYS  33           1HE      LYS  33  -5.311 -10.074  -4.365
  279    HZ1  LYS  33           3HZ      LYS  33  -6.148 -11.478  -6.165
  280    HZ2  LYS  33           1HZ      LYS  33  -4.458 -11.398  -6.165
  281    HZ3  LYS  33           2HZ      LYS  33  -5.347 -10.514  -7.301
  282    H    GLU  34           H        GLU  34  -8.699  -4.035  -7.407
  283    HA   GLU  34           HA       GLU  34 -11.651  -4.256  -7.396
  284    HB2  GLU  34           2HB      GLU  34  -9.778  -2.553  -5.783
  285    HB3  GLU  34           1HB      GLU  34 -11.528  -2.347  -5.774
  286    HG2  GLU  34           2HG      GLU  34 -10.267  -4.996  -5.240
  287    HG3  GLU  34           1HG      GLU  34 -10.419  -3.794  -3.929
  288    H    GLY  35           H        GLY  35  -9.283  -2.731  -9.315
  289    HA2  GLY  35           2HA      GLY  35  -9.584  -1.319 -11.078
  290    HA3  GLY  35           1HA      GLY  35 -11.283  -1.237 -10.683
  291    H    ILE  36           H        ILE  36  -9.263  -0.273  -8.074
  292    HA   ILE  36           HA       ILE  36 -10.083   2.509  -8.354
  293    HB   ILE  36           HB       ILE  36  -8.341   1.306  -6.176
  294   HG12  ILE  36          2HG1      ILE  36 -11.297   1.742  -5.757
  295   HG13  ILE  36          1HG1      ILE  36 -10.755   0.263  -6.533
  296   HG21  ILE  36          1HG2      ILE  36  -8.978   3.194  -4.835
  297   HG22  ILE  36          2HG2      ILE  36 -10.143   3.730  -6.044
  298   HG23  ILE  36          3HG2      ILE  36  -8.416   3.807  -6.391
  299   HD11  ILE  36          3HD1      ILE  36 -11.118   0.205  -4.028
  300   HD12  ILE  36          1HD1      ILE  36  -9.634   1.150  -3.904
  301   HD13  ILE  36          2HD1      ILE  36  -9.600  -0.454  -4.639
  302    HA   PRO  37           HA       PRO  37  -6.085   3.367 -10.392
  303    HB2  PRO  37           2HB      PRO  37  -6.755   6.252 -10.085
  304    HB3  PRO  37           1HB      PRO  37  -6.446   5.326 -11.559
  305    HG2  PRO  37           2HG      PRO  37  -8.905   6.168 -10.923
  306    HG3  PRO  37           1HG      PRO  37  -8.634   4.608 -11.723
  307    HD2  PRO  37           2HD      PRO  37  -9.172   5.174  -8.820
  308    HD3  PRO  37           1HD      PRO  37  -9.861   3.919  -9.871
  309    HA   PRO  38           HA       PRO  38  -3.511   4.018  -6.830
  310    HB2  PRO  38           2HB      PRO  38  -1.428   5.189  -8.656
  311    HB3  PRO  38           1HB      PRO  38  -1.295   3.821  -7.547
  312    HG2  PRO  38           2HG      PRO  38  -1.444   3.432 -10.167
  313    HG3  PRO  38           1HG      PRO  38  -2.276   2.347  -9.038
  314    HD2  PRO  38           2HD      PRO  38  -3.399   4.572 -10.708
  315    HD3  PRO  38           1HD      PRO  38  -4.061   2.956 -10.391
  316    H    ASP  39           H        ASP  39  -3.813   6.794  -9.044
  317    HA   ASP  39           HA       ASP  39  -2.784   8.660  -7.187
  318    HB2  ASP  39           2HB      ASP  39  -4.444   9.037  -9.677
  319    HB3  ASP  39           1HB      ASP  39  -3.947  10.393  -8.632
  320    H    GLN  40           H        GLN  40  -5.890   7.105  -7.222
  321    HA   GLN  40           HA       GLN  40  -7.120   9.205  -5.579
  322    HB2  GLN  40           2HB      GLN  40  -8.290   6.763  -6.918
  323    HB3  GLN  40           1HB      GLN  40  -9.199   7.844  -5.875
  324    HG2  GLN  40           2HG      GLN  40  -8.449   9.695  -7.486
  325    HG3  GLN  40           1HG      GLN  40  -8.016   8.374  -8.570
  326   HE21  GLN  40          1HE2      GLN  40  -9.545   8.405 -10.145
  327   HE22  GLN  40          2HE2      GLN  40 -11.247   8.389  -9.851
  328    H    GLN  41           H        GLN  41  -5.241   6.479  -5.036
  329    HA   GLN  41           HA       GLN  41  -6.716   5.511  -2.674
  330    HB2  GLN  41           2HB      GLN  41  -4.499   4.397  -4.362
  331    HB3  GLN  41           1HB      GLN  41  -4.894   3.699  -2.798
  332    HG2  GLN  41           2HG      GLN  41  -7.247   3.436  -3.635
  333    HG3  GLN  41           1HG      GLN  41  -6.642   3.880  -5.231
  334   HE21  GLN  41          1HE2      GLN  41  -6.078   2.211  -6.515
  335   HE22  GLN  41          2HE2      GLN  41  -5.602   0.647  -5.954
  336    H    ARG  42           H        ARG  42  -6.028   5.775  -0.602
  337    HA   ARG  42           HA       ARG  42  -3.299   6.742  -0.128
  338    HB2  ARG  42           2HB      ARG  42  -5.748   7.481   1.504
  339    HB3  ARG  42           1HB      ARG  42  -4.103   8.002   1.831
  340    HG2  ARG  42           2HG      ARG  42  -4.091   9.243  -0.288
  341    HG3  ARG  42           1HG      ARG  42  -5.761   8.745  -0.569
  342    HD2  ARG  42           2HD      ARG  42  -6.541   9.974   1.301
  343    HD3  ARG  42           1HD      ARG  42  -4.904  10.236   1.899
  344    HE   ARG  42           HE       ARG  42  -5.456  11.384  -0.706
  345   HH11  ARG  42          1HH1      ARG  42  -5.456  12.061   2.785
  346   HH12  ARG  42          2HH1      ARG  42  -5.349  13.769   2.544
  347   HH21  ARG  42          1HH2      ARG  42  -5.317  13.625  -0.939
  348   HH22  ARG  42          2HH2      ARG  42  -5.271  14.648   0.456
  349    H    LEU  43           H        LEU  43  -2.137   5.388   1.210
  350    HA   LEU  43           HA       LEU  43  -3.636   3.253   2.605
  351    HB2  LEU  43           2HB      LEU  43  -0.806   3.297   1.536
  352    HB3  LEU  43           1HB      LEU  43  -1.528   1.997   2.475
  353    HG   LEU  43           HG       LEU  43  -2.585   2.888  -0.211
  354   HD11  LEU  43          1HD1      LEU  43  -0.791   0.546   0.412
  355   HD12  LEU  43          2HD1      LEU  43  -0.290   2.025  -0.409
  356   HD13  LEU  43          3HD1      LEU  43  -1.474   0.958  -1.162
  357   HD21  LEU  43          3HD2      LEU  43  -3.100   0.439   1.476
  358   HD22  LEU  43          1HD2      LEU  43  -3.710   0.693  -0.159
  359   HD23  LEU  43          2HD2      LEU  43  -4.234   1.750   1.152
  360    H    ILE  44           H        ILE  44  -3.525   3.065   4.750
  361    HA   ILE  44           HA       ILE  44  -1.527   4.646   6.262
  362    HB   ILE  44           HB       ILE  44  -4.506   4.374   6.649
  363   HG12  ILE  44          2HG1      ILE  44  -3.864   6.961   7.228
  364   HG13  ILE  44          1HG1      ILE  44  -2.569   6.594   6.110
  365   HG21  ILE  44          1HG2      ILE  44  -3.732   3.841   8.846
  366   HG22  ILE  44          2HG2      ILE  44  -4.230   5.533   8.873
  367   HG23  ILE  44          3HG2      ILE  44  -2.517   5.120   8.801
  368   HD11  ILE  44          3HD1      ILE  44  -5.414   7.004   5.600
  369   HD12  ILE  44          1HD1      ILE  44  -4.690   5.658   4.717
  370   HD13  ILE  44          2HD1      ILE  44  -4.004   7.275   4.574
  371    H    PHE  45           H        PHE  45  -0.458   3.635   7.850
  372    HA   PHE  45           HA       PHE  45  -1.404   1.041   8.858
  373    HB2  PHE  45           2HB      PHE  45   0.314   0.579   7.127
  374    HB3  PHE  45           1HB      PHE  45   1.457   1.600   7.986
  375    HD1  PHE  45           1HD      PHE  45  -0.768  -1.335   8.623
  376    HD2  PHE  45           2HD      PHE  45   2.987   0.523   9.384
  377    HE1  PHE  45           1HE      PHE  45  -0.079  -3.280   9.958
  378    HE2  PHE  45           2HE      PHE  45   3.683  -1.425  10.715
  379    HZ   PHE  45           HZ       PHE  45   2.148  -3.328  11.008
  380    H    ALA  46           H        ALA  46  -1.458   1.109  11.104
  381    HA   ALA  46           HA       ALA  46  -1.269   1.964  13.221
  382    HB1  ALA  46           1HB      ALA  46   1.137   2.298  13.941
  383    HB2  ALA  46           2HB      ALA  46   1.586   1.936  12.274
  384    HB3  ALA  46           3HB      ALA  46   0.737   0.729  13.240
  385    H    GLY  47           H        GLY  47  -2.307   3.902  11.612
  386    HA2  GLY  47           2HA      GLY  47  -2.863   6.113  11.736
  387    HA3  GLY  47           1HA      GLY  47  -1.704   6.288  13.031
  388    H    LYS  48           H        LYS  48   0.006   5.107  10.356
  389    HA   LYS  48           HA       LYS  48   0.824   7.845   9.578
  390    HB2  LYS  48           2HB      LYS  48   2.481   5.357   9.201
  391    HB3  LYS  48           1HB      LYS  48   3.022   7.017   9.115
  392    HG2  LYS  48           2HG      LYS  48   2.749   7.280  11.510
  393    HG3  LYS  48           1HG      LYS  48   2.092   5.647  11.635
  394    HD2  LYS  48           2HD      LYS  48   4.272   4.820  10.673
  395    HD3  LYS  48           1HD      LYS  48   4.894   6.460  10.877
  396    HE2  LYS  48           2HE      LYS  48   4.385   6.324  13.285
  397    HE3  LYS  48           1HE      LYS  48   3.833   4.664  13.060
  398    HZ1  LYS  48           3HZ      LYS  48   6.061   4.600  13.842
  399    HZ2  LYS  48           1HZ      LYS  48   6.584   5.707  12.674
  400    HZ3  LYS  48           2HZ      LYS  48   6.100   4.155  12.211
  401    H    GLN  49           H        GLN  49   0.850   8.503   7.457
  402    HA   GLN  49           HA       GLN  49  -0.475   6.814   5.489
  403    HB2  GLN  49           2HB      GLN  49  -0.612   9.422   5.800
  404    HB3  GLN  49           1HB      GLN  49   0.840   9.449   4.810
  405    HG2  GLN  49           2HG      GLN  49  -0.288   8.465   2.971
  406    HG3  GLN  49           1HG      GLN  49  -1.694   8.074   3.958
  407   HE21  GLN  49          1HE2      GLN  49   0.038  10.641   2.289
  408   HE22  GLN  49          2HE2      GLN  49  -1.249  11.792   2.358
  409    H    LEU  50           H        LEU  50   0.600   5.522   3.997
  410    HA   LEU  50           HA       LEU  50   3.497   5.356   4.125
  411    HB2  LEU  50           2HB      LEU  50   1.669   3.707   2.382
  412    HB3  LEU  50           1HB      LEU  50   3.312   3.348   2.856
  413    HG   LEU  50           HG       LEU  50   0.955   3.442   4.739
  414   HD11  LEU  50          1HD1      LEU  50   1.065   1.019   4.768
  415   HD12  LEU  50          2HD1      LEU  50   2.390   1.047   3.604
  416   HD13  LEU  50          3HD1      LEU  50   0.785   1.605   3.128
  417   HD21  LEU  50          3HD2      LEU  50   2.532   2.241   6.280
  418   HD22  LEU  50          1HD2      LEU  50   2.960   3.920   5.953
  419   HD23  LEU  50          2HD2      LEU  50   3.826   2.615   5.145
  420    H    GLU  51           H        GLU  51   4.961   5.975   2.558
  421    HA   GLU  51           HA       GLU  51   3.945   7.572   0.321
  422    HB2  GLU  51           2HB      GLU  51   6.723   7.175   1.448
  423    HB3  GLU  51           1HB      GLU  51   6.402   8.126   0.004
  424    HG2  GLU  51           2HG      GLU  51   5.300   9.786   1.159
  425    HG3  GLU  51           1HG      GLU  51   4.987   8.766   2.562
  426    H    ASP  52           H        ASP  52   4.303   7.234  -1.855
  427    HA   ASP  52           HA       ASP  52   4.336   4.572  -2.736
  428    HB2  ASP  52           2HB      ASP  52   4.651   7.138  -4.295
  429    HB3  ASP  52           1HB      ASP  52   4.478   5.548  -5.034
  430    H    GLY  53           H        GLY  53   7.062   6.769  -2.361
  431    HA2  GLY  53           2HA      GLY  53   8.822   5.114  -3.992
  432    HA3  GLY  53           1HA      GLY  53   9.269   6.552  -3.099
  433    H    ARG  54           H        ARG  54   7.679   4.610  -0.867
  434    HA   ARG  54           HA       ARG  54  10.240   3.461   0.094
  435    HB2  ARG  54           2HB      ARG  54   7.666   3.922   1.620
  436    HB3  ARG  54           1HB      ARG  54   9.174   3.348   2.300
  437    HG2  ARG  54           2HG      ARG  54   8.611   6.123   1.237
  438    HG3  ARG  54           1HG      ARG  54   8.797   5.632   2.901
  439    HD2  ARG  54           2HD      ARG  54  11.064   5.115   1.030
  440    HD3  ARG  54           1HD      ARG  54  10.776   6.754   1.601
  441    HE   ARG  54           HE       ARG  54  11.810   4.546   3.110
  442   HH11  ARG  54          1HH1      ARG  54  10.126   7.652   3.466
  443   HH12  ARG  54          2HH1      ARG  54  10.634   7.846   5.107
  444   HH21  ARG  54          1HH2      ARG  54  12.436   4.864   5.260
  445   HH22  ARG  54          2HH2      ARG  54  11.932   6.282   6.115
  446    H    THR  55           H        THR  55  10.067   1.367   1.304
  447    HA   THR  55           HA       THR  55   8.289  -0.528  -0.132
  448    HB   THR  55           HB       THR  55   9.841  -2.285   0.446
  449    HG1  THR  55           1HG      THR  55  11.343  -0.279   1.797
  450   HG21  THR  55          3HG2      THR  55  11.702  -1.775  -0.891
  451   HG22  THR  55          1HG2      THR  55  11.568  -0.048  -0.556
  452   HG23  THR  55          2HG2      THR  55  10.355  -0.851  -1.555
  453    H    LEU  56           H        LEU  56   7.603  -2.458   1.087
  454    HA   LEU  56           HA       LEU  56   6.111  -1.853   3.408
  455    HB2  LEU  56           2HB      LEU  56   7.006  -4.550   2.398
  456    HB3  LEU  56           1HB      LEU  56   5.777  -4.290   3.625
  457    HG   LEU  56           HG       LEU  56   5.575  -3.381   0.751
  458   HD11  LEU  56          1HD1      LEU  56   4.011  -5.194   0.451
  459   HD12  LEU  56          2HD1      LEU  56   4.218  -5.688   2.132
  460   HD13  LEU  56          3HD1      LEU  56   5.563  -5.826   0.999
  461   HD21  LEU  56          3HD2      LEU  56   3.672  -3.260   3.088
  462   HD22  LEU  56          1HD2      LEU  56   3.123  -3.143   1.415
  463   HD23  LEU  56          2HD2      LEU  56   4.228  -1.936   2.067
  464    H    SER  57           H        SER  57   9.362  -3.281   3.191
  465    HA   SER  57           HA       SER  57   9.547  -4.033   5.938
  466    HB2  SER  57           2HB      SER  57  11.943  -4.286   5.592
  467    HB3  SER  57           1HB      SER  57  11.027  -5.045   4.261
  468    HG   SER  57           HG       SER  57  11.731  -3.536   2.911
  469    H    ASP  58           H        ASP  58  10.205  -0.995   4.237
  470    HA   ASP  58           HA       ASP  58  11.740   0.290   6.240
  471    HB2  ASP  58           2HB      ASP  58   9.897   1.441   4.132
  472    HB3  ASP  58           1HB      ASP  58  10.865   2.446   5.192
  473    H    TYR  59           H        TYR  59   8.263  -0.249   6.045
  474    HA   TYR  59           HA       TYR  59   7.781   1.454   8.401
  475    HB2  TYR  59           2HB      TYR  59   5.933   0.130   6.400
  476    HB3  TYR  59           1HB      TYR  59   5.333   0.870   7.882
  477    HD1  TYR  59           1HD      TYR  59   5.402   3.289   8.186
  478    HD2  TYR  59           2HD      TYR  59   6.783   1.502   4.580
  479    HE1  TYR  59           1HE      TYR  59   5.355   5.487   7.086
  480    HE2  TYR  59           2HE      TYR  59   6.741   3.694   3.474
  481    HH   TYR  59           HH       TYR  59   6.918   6.221   4.382
  482    H    ASN  60           H        ASN  60   8.920  -1.569   8.153
  483    HA   ASN  60           HA       ASN  60   8.903  -3.470   9.334
  484    HB2  ASN  60           2HB      ASN  60   7.807  -1.609  11.454
  485    HB3  ASN  60           1HB      ASN  60   8.341  -3.255  11.780
  486   HD21  ASN  60          1HD2      ASN  60   9.344   0.012  11.050
  487   HD22  ASN  60          2HD2      ASN  60  11.032  -0.255  11.301
  488    H    ILE  61           H        ILE  61   6.720  -3.276   7.581
  489    HA   ILE  61           HA       ILE  61   4.362  -4.255   8.984
  490    HB   ILE  61           HB       ILE  61   4.880  -3.987   5.998
  491   HG12  ILE  61          2HG1      ILE  61   3.106  -2.293   7.767
  492   HG13  ILE  61          1HG1      ILE  61   4.764  -1.855   7.386
  493   HG21  ILE  61          1HG2      ILE  61   2.331  -4.664   7.482
  494   HG22  ILE  61          2HG2      ILE  61   3.202  -5.693   6.346
  495   HG23  ILE  61          3HG2      ILE  61   2.403  -4.229   5.775
  496   HD11  ILE  61          3HD1      ILE  61   4.083  -1.943   4.948
  497   HD12  ILE  61          1HD1      ILE  61   3.426  -0.621   5.912
  498   HD13  ILE  61          2HD1      ILE  61   2.419  -2.016   5.525
  499    H    GLN  62           H        GLN  62   4.039  -6.329   9.490
  500    HA   GLN  62           HA       GLN  62   5.778  -8.435   8.336
  501    HB2  GLN  62           2HB      GLN  62   4.466  -8.111  11.040
  502    HB3  GLN  62           1HB      GLN  62   5.288  -9.580  10.529
  503    HG2  GLN  62           2HG      GLN  62   7.369  -8.334  10.280
  504    HG3  GLN  62           1HG      GLN  62   6.547  -6.857  10.783
  505   HE21  GLN  62          1HE2      GLN  62   6.088  -6.529  12.978
  506   HE22  GLN  62          2HE2      GLN  62   6.704  -7.572  14.210
  507    H    LYS  63           H        LYS  63   4.772 -10.710   8.567
  508    HA   LYS  63           HA       LYS  63   2.592 -10.973   6.904
  509    HB2  LYS  63           2HB      LYS  63   2.347 -13.312   7.687
  510    HB3  LYS  63           1HB      LYS  63   4.003 -12.887   7.277
  511    HG2  LYS  63           2HG      LYS  63   4.541 -12.628   9.636
  512    HG3  LYS  63           1HG      LYS  63   2.880 -13.041  10.064
  513    HD2  LYS  63           2HD      LYS  63   3.181 -15.236   8.967
  514    HD3  LYS  63           1HD      LYS  63   4.866 -14.817   8.646
  515    HE2  LYS  63           2HE      LYS  63   5.349 -14.709  10.992
  516    HE3  LYS  63           1HE      LYS  63   3.644 -14.900  11.400
  517    HZ1  LYS  63           3HZ      LYS  63   4.728 -16.981  11.704
  518    HZ2  LYS  63           1HZ      LYS  63   5.422 -16.928  10.162
  519    HZ3  LYS  63           2HZ      LYS  63   3.751 -17.120  10.331
  520    H    GLU  64           H        GLU  64   0.378 -11.251   7.065
  521    HA   GLU  64           HA       GLU  64  -1.730 -11.055   7.845
  522    HB2  GLU  64           2HB      GLU  64  -0.613 -11.926  10.512
  523    HB3  GLU  64           1HB      GLU  64  -2.320 -11.791  10.115
  524    HG2  GLU  64           2HG      GLU  64  -1.768 -13.442   8.205
  525    HG3  GLU  64           1HG      GLU  64  -0.304 -13.777   9.132
  526    H    SER  65           H        SER  65   0.225  -8.661   8.205
  527    HA   SER  65           HA       SER  65  -1.044  -7.088  10.297
  528    HB2  SER  65           2HB      SER  65   0.878  -6.431   8.055
  529    HB3  SER  65           1HB      SER  65   0.209  -5.193   9.115
  530    HG   SER  65           HG       SER  65   1.903  -7.358   9.773
  531    H    THR  66           H        THR  66  -2.434  -5.265   9.942
  532    HA   THR  66           HA       THR  66  -4.101  -5.448   7.501
  533    HB   THR  66           HB       THR  66  -4.861  -4.333  10.205
  534    HG1  THR  66           1HG      THR  66  -5.569  -6.278  10.749
  535   HG21  THR  66          3HG2      THR  66  -6.498  -5.150   7.809
  536   HG22  THR  66          1HG2      THR  66  -6.378  -3.547   8.535
  537   HG23  THR  66          2HG2      THR  66  -7.175  -4.854   9.410
  538    H    LEU  67           H        LEU  67  -4.027  -3.752   6.134
  539    HA   LEU  67           HA       LEU  67  -3.066  -1.116   7.047
  540    HB2  LEU  67           2HB      LEU  67  -3.283  -2.072   4.181
  541    HB3  LEU  67           1HB      LEU  67  -2.505  -0.618   4.772
  542    HG   LEU  67           HG       LEU  67  -0.942  -2.379   6.038
  543   HD11  LEU  67          1HD1      LEU  67  -2.019  -3.964   3.740
  544   HD12  LEU  67          2HD1      LEU  67  -2.052  -4.381   5.452
  545   HD13  LEU  67          3HD1      LEU  67  -0.517  -4.333   4.587
  546   HD21  LEU  67          3HD2      LEU  67   0.580  -2.350   4.076
  547   HD22  LEU  67          1HD2      LEU  67  -0.057  -0.765   4.519
  548   HD23  LEU  67          2HD2      LEU  67  -0.725  -1.630   3.133
  549    H    HIS  68           H        HIS  68  -4.277   0.750   6.239
  550    HA   HIS  68           HA       HIS  68  -7.112   0.146   5.648
  551    HB2  HIS  68           2HB      HIS  68  -5.833   2.486   7.084
  552    HB3  HIS  68           1HB      HIS  68  -7.537   2.411   6.669
  553    HD1  HIS  68           1HD      HIS  68  -4.965   0.747   8.863
  554    HD2  HIS  68           2HD      HIS  68  -9.095   0.980   8.460
  555    HE1  HIS  68           1HE      HIS  68  -5.899  -0.380  10.903
  556    H    LEU  69           H        LEU  69  -8.040   0.973   3.827
  557    HA   LEU  69           HA       LEU  69  -6.378   2.717   2.102
  558    HB2  LEU  69           2HB      LEU  69  -7.050   0.476   1.215
  559    HB3  LEU  69           1HB      LEU  69  -8.729   0.946   1.394
  560    HG   LEU  69           HG       LEU  69  -8.302   2.770  -0.268
  561   HD11  LEU  69          1HD1      LEU  69  -5.678   1.339  -0.621
  562   HD12  LEU  69          2HD1      LEU  69  -5.898   2.980  -0.013
  563   HD13  LEU  69          3HD1      LEU  69  -6.312   2.596  -1.684
  564   HD21  LEU  69          3HD2      LEU  69  -9.369   0.718  -0.955
  565   HD22  LEU  69          1HD2      LEU  69  -7.800  -0.061  -1.154
  566   HD23  LEU  69          2HD2      LEU  69  -8.267   1.265  -2.218
  567    H    VAL  70           H        VAL  70  -7.070   4.780   1.708
  568    HA   VAL  70           HA       VAL  70  -9.840   5.525   2.275
  569    HB   VAL  70           HB       VAL  70  -7.218   6.835   2.891
  570   HG11  VAL  70          1HG1      VAL  70  -8.385   8.651   1.728
  571   HG12  VAL  70          2HG1      VAL  70  -8.311   8.996   3.456
  572   HG13  VAL  70          3HG1      VAL  70  -9.808   8.400   2.740
  573   HG21  VAL  70          3HG2      VAL  70  -8.320   5.483   4.560
  574   HG22  VAL  70          1HG2      VAL  70  -9.673   6.615   4.567
  575   HG23  VAL  70          2HG2      VAL  70  -8.070   7.150   5.075
  576    H    LEU  71           H        LEU  71 -10.868   6.622   0.610
  577    HA   LEU  71           HA       LEU  71  -9.392   6.863  -1.921
  578    HB2  LEU  71           2HB      LEU  71 -12.369   6.859  -1.405
  579    HB3  LEU  71           1HB      LEU  71 -11.610   6.903  -2.985
  580    HG   LEU  71           HG       LEU  71 -11.240   4.612  -1.055
  581   HD11  LEU  71          1HD1      LEU  71 -13.604   4.794  -1.603
  582   HD12  LEU  71          2HD1      LEU  71 -12.885   3.395  -2.399
  583   HD13  LEU  71          3HD1      LEU  71 -13.213   4.863  -3.321
  584   HD21  LEU  71          3HD2      LEU  71 -10.702   4.935  -4.004
  585   HD22  LEU  71          1HD2      LEU  71 -10.572   3.416  -3.117
  586   HD23  LEU  71          2HD2      LEU  71  -9.504   4.763  -2.720
  587    H    ARG  72           H        ARG  72  -9.005   8.757  -2.909
  588    HA   ARG  72           HA       ARG  72  -9.823  11.232  -1.577
  589    HB2  ARG  72           2HB      ARG  72  -7.436  10.695  -2.370
  590    HB3  ARG  72           1HB      ARG  72  -8.032  11.025  -3.993
  591    HG2  ARG  72           2HG      ARG  72  -8.848  13.266  -2.979
  592    HG3  ARG  72           1HG      ARG  72  -7.731  12.892  -1.665
  593    HD2  ARG  72           2HD      ARG  72  -7.011  13.092  -4.585
  594    HD3  ARG  72           1HD      ARG  72  -6.712  14.329  -3.370
  595    HE   ARG  72           HE       ARG  72  -5.544  11.738  -2.796
  596   HH11  ARG  72          1HH1      ARG  72  -4.910  14.901  -4.292
  597   HH12  ARG  72          2HH1      ARG  72  -3.197  14.724  -4.148
  598   HH21  ARG  72          1HH2      ARG  72  -3.301  11.579  -2.646
  599   HH22  ARG  72          2HH2      ARG  72  -2.291  12.861  -3.227
  600    H    LEU  73           H        LEU  73 -10.955  12.929  -2.616
  601    HA   LEU  73           HA       LEU  73 -12.055  12.456  -5.293
  602    HB2  LEU  73           2HB      LEU  73 -13.724  12.868  -2.811
  603    HB3  LEU  73           1HB      LEU  73 -14.347  13.059  -4.440
  604    HG   LEU  73           HG       LEU  73 -13.154  10.476  -3.436
  605   HD11  LEU  73          1HD1      LEU  73 -16.066  11.239  -3.574
  606   HD12  LEU  73          2HD1      LEU  73 -15.122  11.088  -2.092
  607   HD13  LEU  73          3HD1      LEU  73 -15.409   9.671  -3.103
  608   HD21  LEU  73          3HD2      LEU  73 -13.186  10.760  -5.866
  609   HD22  LEU  73          1HD2      LEU  73 -14.914  11.102  -5.803
  610   HD23  LEU  73          2HD2      LEU  73 -14.313   9.508  -5.347
  611    H    ARG  74           H        ARG  74 -12.795  14.351  -6.362
  612    HA   ARG  74           HA       ARG  74 -12.474  16.929  -5.002
  613    HB2  ARG  74           2HB      ARG  74 -10.290  16.104  -6.156
  614    HB3  ARG  74           1HB      ARG  74 -11.106  16.512  -7.656
  615    HG2  ARG  74           2HG      ARG  74 -10.790  18.475  -5.401
  616    HG3  ARG  74           1HG      ARG  74  -9.573  18.265  -6.660
  617    HD2  ARG  74           2HD      ARG  74 -11.442  18.692  -8.329
  618    HD3  ARG  74           1HD      ARG  74 -12.414  19.213  -6.953
  619    HE   ARG  74           HE       ARG  74 -10.350  20.683  -8.250
  620   HH11  ARG  74          1HH1      ARG  74 -11.853  20.282  -5.059
  621   HH12  ARG  74          2HH1      ARG  74 -11.376  21.859  -4.533
  622   HH21  ARG  74          1HH2      ARG  74  -9.762  22.732  -7.499
  623   HH22  ARG  74          2HH2      ARG  74 -10.205  23.237  -5.903
  624    H    GLY  75           H        GLY  75 -14.337  17.985  -5.371
  625    HA2  GLY  75           2HA      GLY  75 -15.311  18.362  -8.078
  626    HA3  GLY  75           1HA      GLY  75 -16.376  17.403  -7.063
  627    H    GLY  76           H        GLY  76 -18.068  18.648  -6.468
  628    HA2  GLY  76           2HA      GLY  76 -18.061  20.644  -4.629
  629    HA3  GLY  76           1HA      GLY  76 -17.800  21.517  -6.130
  Start of MODEL    7
    1    H1   MET   1           1HT      MET   1   5.043 -12.117   1.354
    2    H2   MET   1           2HT      MET   1   4.523 -13.720   1.073
    3    H3   MET   1           3HT      MET   1   5.887 -13.424   2.071
    4    HA   MET   1           HA       MET   1   3.939 -13.998   3.307
    5    HB2  MET   1           2HB      MET   1   4.044 -12.040   4.868
    6    HB3  MET   1           1HB      MET   1   5.620 -12.628   4.380
    7    HG2  MET   1           2HG      MET   1   5.802 -10.779   2.774
    8    HG3  MET   1           1HG      MET   1   4.224 -10.194   3.297
    9    HE1  MET   1           2HE      MET   1   5.842  -7.408   5.137
   10    HE2  MET   1           3HE      MET   1   4.223  -8.099   5.026
   11    HE3  MET   1           1HE      MET   1   5.219  -7.943   3.578
   12    H    GLN   2           H        GLN   2   1.813 -13.438   4.058
   13    HA   GLN   2           HA       GLN   2   0.174 -12.009   2.067
   14    HB2  GLN   2           2HB      GLN   2  -0.558 -13.853   4.349
   15    HB3  GLN   2           1HB      GLN   2  -1.731 -13.056   3.310
   16    HG2  GLN   2           2HG      GLN   2  -0.904 -14.236   1.385
   17    HG3  GLN   2           1HG      GLN   2   0.394 -14.953   2.341
   18   HE21  GLN   2          1HE2      GLN   2  -3.159 -14.810   2.034
   19   HE22  GLN   2          2HE2      GLN   2  -3.429 -16.390   2.676
   20    H    ILE   3           H        ILE   3  -1.128 -10.276   2.547
   21    HA   ILE   3           HA       ILE   3  -1.101  -9.161   5.261
   22    HB   ILE   3           HB       ILE   3  -0.780  -6.893   4.417
   23   HG12  ILE   3          2HG1      ILE   3   0.155  -8.045   1.775
   24   HG13  ILE   3          1HG1      ILE   3  -1.499  -7.490   1.993
   25   HG21  ILE   3          1HG2      ILE   3   1.098  -8.094   5.318
   26   HG22  ILE   3          2HG2      ILE   3   1.640  -7.081   3.981
   27   HG23  ILE   3          3HG2      ILE   3   1.441  -8.818   3.744
   28   HD11  ILE   3          3HD1      ILE   3  -0.846  -5.277   2.288
   29   HD12  ILE   3          1HD1      ILE   3   0.171  -5.869   0.973
   30   HD13  ILE   3          2HD1      ILE   3   0.832  -5.720   2.603
   31    H    PHE   4           H        PHE   4  -2.964  -7.451   5.522
   32    HA   PHE   4           HA       PHE   4  -5.222  -8.089   3.723
   33    HB2  PHE   4           2HB      PHE   4  -5.269  -7.613   6.714
   34    HB3  PHE   4           1HB      PHE   4  -6.677  -7.852   5.706
   35    HD1  PHE   4           1HD      PHE   4  -7.188 -10.054   4.760
   36    HD2  PHE   4           2HD      PHE   4  -3.866  -9.472   7.361
   37    HE1  PHE   4           1HE      PHE   4  -7.029 -12.485   5.098
   38    HE2  PHE   4           2HE      PHE   4  -3.705 -11.904   7.703
   39    HZ   PHE   4           HZ       PHE   4  -5.287 -13.413   6.569
   40    H    VAL   5           H        VAL   5  -6.453  -6.364   2.993
   41    HA   VAL   5           HA       VAL   5  -5.775  -3.662   4.032
   42    HB   VAL   5           HB       VAL   5  -6.623  -4.283   1.181
   43   HG11  VAL   5          1HG1      VAL   5  -7.271  -2.019   2.057
   44   HG12  VAL   5          2HG1      VAL   5  -6.148  -1.954   0.703
   45   HG13  VAL   5          3HG1      VAL   5  -5.563  -1.692   2.344
   46   HG21  VAL   5          3HG2      VAL   5  -4.379  -5.105   1.485
   47   HG22  VAL   5          1HG2      VAL   5  -3.896  -3.623   2.312
   48   HG23  VAL   5          2HG2      VAL   5  -4.294  -3.588   0.591
   49    H    LYS   6           H        LYS   6  -7.487  -2.634   4.961
   50    HA   LYS   6           HA       LYS   6 -10.205  -3.677   4.481
   51    HB2  LYS   6           2HB      LYS   6  -8.837  -2.472   6.841
   52    HB3  LYS   6           1HB      LYS   6 -10.528  -2.023   6.624
   53    HG2  LYS   6           2HG      LYS   6 -10.845  -4.632   6.367
   54    HG3  LYS   6           1HG      LYS   6  -9.316  -4.688   7.240
   55    HD2  LYS   6           2HD      LYS   6 -10.309  -3.348   9.039
   56    HD3  LYS   6           1HD      LYS   6 -11.833  -3.308   8.156
   57    HE2  LYS   6           2HE      LYS   6 -10.513  -5.885   8.967
   58    HE3  LYS   6           1HE      LYS   6 -11.622  -5.019  10.029
   59    HZ1  LYS   6           3HZ      LYS   6 -12.326  -5.882   7.280
   60    HZ2  LYS   6           1HZ      LYS   6 -13.370  -5.267   8.463
   61    HZ3  LYS   6           2HZ      LYS   6 -12.669  -6.793   8.664
   62    H    THR   7           H        THR   7 -11.755  -2.418   3.561
   63    HA   THR   7           HA       THR   7 -10.986   0.269   2.669
   64    HB   THR   7           HB       THR   7 -12.664   0.084   0.966
   65    HG1  THR   7           1HG      THR   7 -14.402  -0.910   1.681
   66   HG21  THR   7          3HG2      THR   7 -11.466  -2.662   1.079
   67   HG22  THR   7          1HG2      THR   7 -10.586  -1.223   0.562
   68   HG23  THR   7          2HG2      THR   7 -12.002  -1.760  -0.339
   69    H    LEU   8           H        LEU   8 -12.675   1.987   2.647
   70    HA   LEU   8           HA       LEU   8 -13.703   2.651   5.140
   71    HB2  LEU   8           2HB      LEU   8 -15.016   3.401   2.523
   72    HB3  LEU   8           1HB      LEU   8 -15.209   4.237   4.049
   73    HG   LEU   8           HG       LEU   8 -12.629   4.058   2.503
   74   HD11  LEU   8          1HD1      LEU   8 -13.022   6.420   1.982
   75   HD12  LEU   8          2HD1      LEU   8 -14.611   6.306   2.738
   76   HD13  LEU   8          3HD1      LEU   8 -14.253   5.367   1.288
   77   HD21  LEU   8          3HD2      LEU   8 -13.354   5.778   4.871
   78   HD22  LEU   8          1HD2      LEU   8 -11.802   5.735   4.035
   79   HD23  LEU   8          2HD2      LEU   8 -12.352   4.329   4.947
   80    H    THR   9           H        THR   9 -15.711   1.180   2.498
   81    HA   THR   9           HA       THR   9 -18.031   0.981   4.022
   82    HB   THR   9           HB       THR   9 -18.936  -0.460   2.308
   83    HG1  THR   9           1HG      THR   9 -17.722  -1.639   1.007
   84   HG21  THR   9          3HG2      THR   9 -17.072   1.224   0.701
   85   HG22  THR   9          1HG2      THR   9 -18.299   1.987   1.714
   86   HG23  THR   9          2HG2      THR   9 -18.780   0.869   0.440
   87    H    GLY  10           H        GLY  10 -15.259  -0.892   4.647
   88    HA2  GLY  10           2HA      GLY  10 -15.177  -2.322   6.504
   89    HA3  GLY  10           1HA      GLY  10 -16.853  -2.751   6.251
   90    H    LYS  11           H        LYS  11 -15.153  -2.903   3.264
   91    HA   LYS  11           HA       LYS  11 -15.275  -5.791   3.307
   92    HB2  LYS  11           2HB      LYS  11 -15.854  -4.316   1.291
   93    HB3  LYS  11           1HB      LYS  11 -14.129  -4.085   1.091
   94    HG2  LYS  11           2HG      LYS  11 -13.841  -6.511   0.834
   95    HG3  LYS  11           1HG      LYS  11 -15.584  -6.724   1.006
   96    HD2  LYS  11           2HD      LYS  11 -15.979  -5.428  -0.995
   97    HD3  LYS  11           1HD      LYS  11 -14.257  -5.067  -1.138
   98    HE2  LYS  11           2HE      LYS  11 -13.818  -7.495  -1.378
   99    HE3  LYS  11           1HE      LYS  11 -15.557  -7.778  -1.362
  100    HZ1  LYS  11           3HZ      LYS  11 -14.750  -7.715  -3.613
  101    HZ2  LYS  11           1HZ      LYS  11 -14.059  -6.190  -3.374
  102    HZ3  LYS  11           2HZ      LYS  11 -15.741  -6.372  -3.343
  103    H    THR  12           H        THR  12 -13.451  -7.206   3.216
  104    HA   THR  12           HA       THR  12 -10.804  -5.953   3.725
  105    HB   THR  12           HB       THR  12 -11.716  -8.692   4.659
  106    HG1  THR  12           1HG      THR  12 -12.845  -7.474   5.981
  107   HG21  THR  12          3HG2      THR  12  -9.382  -7.025   5.605
  108   HG22  THR  12          1HG2      THR  12  -9.256  -8.400   4.506
  109   HG23  THR  12          2HG2      THR  12  -9.821  -8.639   6.159
  110    H    ILE  13           H        ILE  13  -9.259  -6.367   2.242
  111    HA   ILE  13           HA       ILE  13  -9.650  -8.572   0.300
  112    HB   ILE  13           HB       ILE  13  -7.742  -6.272  -0.227
  113   HG12  ILE  13          2HG1      ILE  13 -10.622  -6.210  -1.164
  114   HG13  ILE  13          1HG1      ILE  13 -10.060  -5.320   0.247
  115   HG21  ILE  13          1HG2      ILE  13  -8.123  -6.881  -2.556
  116   HG22  ILE  13          2HG2      ILE  13  -9.307  -8.089  -2.059
  117   HG23  ILE  13          3HG2      ILE  13  -7.612  -8.281  -1.611
  118   HD11  ILE  13          3HD1      ILE  13 -10.207  -3.961  -1.812
  119   HD12  ILE  13          1HD1      ILE  13  -8.943  -4.967  -2.520
  120   HD13  ILE  13          2HD1      ILE  13  -8.596  -3.993  -1.091
  121    H    THR  14           H        THR  14  -7.973 -10.076   0.011
  122    HA   THR  14           HA       THR  14  -5.687  -9.863   1.866
  123    HB   THR  14           HB       THR  14  -6.589 -12.362   0.421
  124    HG1  THR  14           1HG      THR  14  -7.916 -12.827   2.076
  125   HG21  THR  14          3HG2      THR  14  -5.606 -13.421   2.500
  126   HG22  THR  14          1HG2      THR  14  -4.880 -11.848   2.829
  127   HG23  THR  14          2HG2      THR  14  -4.470 -12.717   1.349
  128    H    LEU  15           H        LEU  15  -3.649  -9.644   1.058
  129    HA   LEU  15           HA       LEU  15  -3.277 -10.045  -1.854
  130    HB2  LEU  15           2HB      LEU  15  -2.055  -7.845  -0.180
  131    HB3  LEU  15           1HB      LEU  15  -1.777  -8.106  -1.892
  132    HG   LEU  15           HG       LEU  15  -4.493  -7.461  -0.740
  133   HD11  LEU  15          1HD1      LEU  15  -2.428  -5.609  -1.920
  134   HD12  LEU  15          2HD1      LEU  15  -3.049  -5.593  -0.270
  135   HD13  LEU  15          3HD1      LEU  15  -4.111  -5.180  -1.616
  136   HD21  LEU  15          3HD2      LEU  15  -4.561  -8.568  -2.899
  137   HD22  LEU  15          1HD2      LEU  15  -3.407  -7.408  -3.554
  138   HD23  LEU  15          2HD2      LEU  15  -5.015  -6.872  -3.069
  139    H    GLU  16           H        GLU  16  -1.309 -10.869  -2.549
  140    HA   GLU  16           HA       GLU  16   0.452 -12.019  -0.476
  141    HB2  GLU  16           2HB      GLU  16  -0.519 -13.508  -2.312
  142    HB3  GLU  16           1HB      GLU  16   0.493 -12.627  -3.449
  143    HG2  GLU  16           2HG      GLU  16   1.666 -14.589  -2.923
  144    HG3  GLU  16           1HG      GLU  16   2.462 -13.300  -2.025
  145    H    VAL  17           H        VAL  17   2.328 -10.903  -0.078
  146    HA   VAL  17           HA       VAL  17   3.520  -9.240  -2.211
  147    HB   VAL  17           HB       VAL  17   3.887  -7.415  -0.560
  148   HG11  VAL  17          1HG1      VAL  17   2.096  -7.224  -2.150
  149   HG12  VAL  17          2HG1      VAL  17   1.550  -6.587  -0.599
  150   HG13  VAL  17          3HG1      VAL  17   1.029  -8.187  -1.127
  151   HG21  VAL  17          3HG2      VAL  17   2.452  -7.357   1.480
  152   HG22  VAL  17          1HG2      VAL  17   3.696  -8.608   1.544
  153   HG23  VAL  17          2HG2      VAL  17   2.025  -9.043   1.190
  154    H    GLU  18           H        GLU  18   5.727  -8.431  -1.602
  155    HA   GLU  18           HA       GLU  18   7.213 -10.292   0.163
  156    HB2  GLU  18           2HB      GLU  18   8.091  -8.925  -2.403
  157    HB3  GLU  18           1HB      GLU  18   9.197  -9.743  -1.310
  158    HG2  GLU  18           2HG      GLU  18   6.845 -11.119  -2.573
  159    HG3  GLU  18           1HG      GLU  18   8.436 -11.046  -3.332
  160    HA   PRO  19           HA       PRO  19   8.130  -6.693   2.599
  161    HB2  PRO  19           2HB      PRO  19  10.946  -7.535   2.977
  162    HB3  PRO  19           1HB      PRO  19   9.670  -7.219   4.164
  163    HG2  PRO  19           2HG      PRO  19  10.448  -9.728   3.574
  164    HG3  PRO  19           1HG      PRO  19   8.763  -9.333   3.954
  165    HD2  PRO  19           2HD      PRO  19  10.022  -9.824   1.264
  166    HD3  PRO  19           1HD      PRO  19   8.439 -10.348   1.889
  167    H    SER  20           H        SER  20  10.374  -7.391  -0.048
  168    HA   SER  20           HA       SER  20  11.519  -4.727  -0.076
  169    HB2  SER  20           2HB      SER  20  12.605  -5.559  -2.206
  170    HB3  SER  20           1HB      SER  20  12.977  -6.475  -0.747
  171    HG   SER  20           HG       SER  20  12.178  -7.519  -2.907
  172    H    ASP  21           H        ASP  21   8.452  -5.731  -1.028
  173    HA   ASP  21           HA       ASP  21   8.265  -4.486  -3.604
  174    HB2  ASP  21           2HB      ASP  21   6.226  -5.492  -1.623
  175    HB3  ASP  21           1HB      ASP  21   5.725  -4.574  -3.038
  176    H    THR  22           H        THR  22   7.493  -2.432  -4.097
  177    HA   THR  22           HA       THR  22   7.698  -0.396  -2.028
  178    HB   THR  22           HB       THR  22   7.492   1.204  -3.851
  179    HG1  THR  22           1HG      THR  22   6.958   0.633  -5.841
  180   HG21  THR  22          3HG2      THR  22   9.424  -0.999  -4.515
  181   HG22  THR  22          1HG2      THR  22   9.722   0.394  -3.476
  182   HG23  THR  22          2HG2      THR  22   9.449   0.626  -5.204
  183    H    ILE  23           H        ILE  23   6.049   1.256  -1.710
  184    HA   ILE  23           HA       ILE  23   3.414   0.262  -1.315
  185    HB   ILE  23           HB       ILE  23   4.458   3.091  -1.384
  186   HG12  ILE  23          2HG1      ILE  23   5.482   1.714   0.325
  187   HG13  ILE  23          1HG1      ILE  23   4.459   2.930   1.066
  188   HG21  ILE  23          1HG2      ILE  23   2.035   3.146  -1.753
  189   HG22  ILE  23          2HG2      ILE  23   2.472   3.818  -0.182
  190   HG23  ILE  23          3HG2      ILE  23   1.800   2.191  -0.288
  191   HD11  ILE  23          3HD1      ILE  23   3.873  -0.007   0.784
  192   HD12  ILE  23          1HD1      ILE  23   2.692   1.183   1.332
  193   HD13  ILE  23          2HD1      ILE  23   4.162   0.904   2.266
  194    H    GLU  24           H        GLU  24   4.768   2.211  -4.011
  195    HA   GLU  24           HA       GLU  24   2.375   2.635  -5.498
  196    HB2  GLU  24           2HB      GLU  24   4.654   3.665  -5.976
  197    HB3  GLU  24           1HB      GLU  24   5.128   2.119  -6.667
  198    HG2  GLU  24           2HG      GLU  24   3.508   2.335  -8.416
  199    HG3  GLU  24           1HG      GLU  24   2.807   3.763  -7.656
  200    H    ASN  25           H        ASN  25   4.546  -0.190  -5.323
  201    HA   ASN  25           HA       ASN  25   3.218  -1.684  -7.413
  202    HB2  ASN  25           2HB      ASN  25   5.600  -2.088  -6.451
  203    HB3  ASN  25           1HB      ASN  25   4.777  -2.952  -5.155
  204   HD21  ASN  25          1HD2      ASN  25   4.378  -5.078  -5.467
  205   HD22  ASN  25          2HD2      ASN  25   4.423  -5.870  -7.002
  206    H    VAL  26           H        VAL  26   2.793  -1.531  -3.885
  207    HA   VAL  26           HA       VAL  26   0.799  -3.598  -3.722
  208    HB   VAL  26           HB       VAL  26   1.286  -1.219  -1.878
  209   HG11  VAL  26          1HG1      VAL  26   0.029  -2.472  -0.173
  210   HG12  VAL  26          2HG1      VAL  26  -0.360  -3.708  -1.368
  211   HG13  VAL  26          3HG1      VAL  26  -0.991  -2.072  -1.556
  212   HG21  VAL  26          3HG2      VAL  26   2.559  -2.662  -0.518
  213   HG22  VAL  26          1HG2      VAL  26   3.146  -2.889  -2.165
  214   HG23  VAL  26          2HG2      VAL  26   2.074  -4.085  -1.436
  215    H    LYS  27           H        LYS  27   0.536  -0.063  -4.301
  216    HA   LYS  27           HA       LYS  27  -2.296   0.033  -4.392
  217    HB2  LYS  27           2HB      LYS  27  -0.285   1.730  -5.910
  218    HB3  LYS  27           1HB      LYS  27  -2.000   2.084  -5.794
  219    HG2  LYS  27           2HG      LYS  27  -1.332   2.032  -3.141
  220    HG3  LYS  27           1HG      LYS  27   0.187   2.620  -3.879
  221    HD2  LYS  27           2HD      LYS  27  -1.310   4.262  -5.130
  222    HD3  LYS  27           1HD      LYS  27  -2.535   3.839  -3.935
  223    HE2  LYS  27           2HE      LYS  27   0.237   4.802  -3.234
  224    HE3  LYS  27           1HE      LYS  27  -1.164   5.867  -3.378
  225    HZ1  LYS  27           3HZ      LYS  27  -2.253   4.457  -1.656
  226    HZ2  LYS  27           1HZ      LYS  27  -0.904   5.317  -1.102
  227    HZ3  LYS  27           2HZ      LYS  27  -0.777   3.664  -1.433
  228    H    ALA  28           H        ALA  28   0.115  -0.705  -6.927
  229    HA   ALA  28           HA       ALA  28  -1.679  -0.780  -9.113
  230    HB1  ALA  28           1HB      ALA  28   0.675  -0.695  -9.558
  231    HB2  ALA  28           2HB      ALA  28   0.033  -2.179 -10.264
  232    HB3  ALA  28           3HB      ALA  28   0.935  -2.240  -8.750
  233    H    LYS  29           H        LYS  29  -0.748  -3.286  -6.767
  234    HA   LYS  29           HA       LYS  29  -2.196  -5.493  -7.964
  235    HB2  LYS  29           2HB      LYS  29  -1.276  -4.999  -5.120
  236    HB3  LYS  29           1HB      LYS  29  -2.036  -6.489  -5.657
  237    HG2  LYS  29           2HG      LYS  29  -0.215  -7.041  -7.052
  238    HG3  LYS  29           1HG      LYS  29   0.476  -5.425  -6.912
  239    HD2  LYS  29           2HD      LYS  29   1.085  -5.789  -4.642
  240    HD3  LYS  29           1HD      LYS  29   0.142  -7.278  -4.562
  241    HE2  LYS  29           2HE      LYS  29   2.468  -6.945  -6.443
  242    HE3  LYS  29           1HE      LYS  29   2.666  -7.510  -4.785
  243    HZ1  LYS  29           3HZ      LYS  29   1.195  -9.354  -5.263
  244    HZ2  LYS  29           1HZ      LYS  29   2.482  -9.343  -6.361
  245    HZ3  LYS  29           2HZ      LYS  29   0.956  -8.800  -6.843
  246    H    ILE  30           H        ILE  30  -3.110  -2.974  -5.611
  247    HA   ILE  30           HA       ILE  30  -5.743  -4.052  -5.114
  248    HB   ILE  30           HB       ILE  30  -4.598  -1.281  -4.645
  249   HG12  ILE  30          2HG1      ILE  30  -5.325  -3.575  -2.805
  250   HG13  ILE  30          1HG1      ILE  30  -3.699  -3.130  -3.296
  251   HG21  ILE  30          1HG2      ILE  30  -7.368  -2.321  -3.988
  252   HG22  ILE  30          2HG2      ILE  30  -6.956  -0.893  -4.936
  253   HG23  ILE  30          3HG2      ILE  30  -6.654  -0.915  -3.199
  254   HD11  ILE  30          3HD1      ILE  30  -4.383  -0.832  -2.184
  255   HD12  ILE  30          1HD1      ILE  30  -3.765  -2.185  -1.235
  256   HD13  ILE  30          2HD1      ILE  30  -5.501  -1.881  -1.308
  257    H    GLN  31           H        GLN  31  -4.478  -1.688  -7.507
  258    HA   GLN  31           HA       GLN  31  -6.950  -0.924  -8.725
  259    HB2  GLN  31           2HB      GLN  31  -4.763   0.199  -9.185
  260    HB3  GLN  31           1HB      GLN  31  -4.199  -1.258  -9.988
  261    HG2  GLN  31           2HG      GLN  31  -6.186  -0.872 -11.594
  262    HG3  GLN  31           1HG      GLN  31  -6.249   0.742 -10.894
  263   HE21  GLN  31          1HE2      GLN  31  -5.495  -0.370 -13.650
  264   HE22  GLN  31          2HE2      GLN  31  -3.977   0.382 -13.982
  265    H    ASP  32           H        ASP  32  -4.759  -3.654  -9.364
  266    HA   ASP  32           HA       ASP  32  -6.162  -4.761 -11.581
  267    HB2  ASP  32           2HB      ASP  32  -3.798  -5.352 -10.806
  268    HB3  ASP  32           1HB      ASP  32  -4.560  -6.348  -9.570
  269    H    LYS  33           H        LYS  33  -6.509  -5.421  -8.086
  270    HA   LYS  33           HA       LYS  33  -8.509  -7.472  -8.505
  271    HB2  LYS  33           2HB      LYS  33  -7.793  -6.037  -5.946
  272    HB3  LYS  33           1HB      LYS  33  -8.649  -7.556  -6.065
  273    HG2  LYS  33           2HG      LYS  33  -6.188  -7.973  -7.392
  274    HG3  LYS  33           1HG      LYS  33  -5.803  -7.048  -5.943
  275    HD2  LYS  33           2HD      LYS  33  -6.879  -8.716  -4.553
  276    HD3  LYS  33           1HD      LYS  33  -7.408  -9.604  -5.984
  277    HE2  LYS  33           2HE      LYS  33  -4.985  -9.866  -6.592
  278    HE3  LYS  33           1HE      LYS  33  -4.586  -9.199  -5.009
  279    HZ1  LYS  33           3HZ      LYS  33  -6.274 -11.607  -5.403
  280    HZ2  LYS  33           1HZ      LYS  33  -5.648 -11.025  -3.943
  281    HZ3  LYS  33           2HZ      LYS  33  -4.609 -11.667  -5.113
  282    H    GLU  34           H        GLU  34  -8.688  -4.078  -7.399
  283    HA   GLU  34           HA       GLU  34 -11.636  -4.309  -7.389
  284    HB2  GLU  34           2HB      GLU  34  -9.772  -2.602  -5.770
  285    HB3  GLU  34           1HB      GLU  34 -11.523  -2.402  -5.765
  286    HG2  GLU  34           2HG      GLU  34 -10.248  -5.047  -5.234
  287    HG3  GLU  34           1HG      GLU  34 -10.411  -3.849  -3.920
  288    H    GLY  35           H        GLY  35  -9.266  -2.776  -9.300
  289    HA2  GLY  35           2HA      GLY  35  -9.564  -1.371 -11.065
  290    HA3  GLY  35           1HA      GLY  35 -11.265  -1.293 -10.678
  291    H    ILE  36           H        ILE  36  -9.247  -0.318  -8.065
  292    HA   ILE  36           HA       ILE  36 -10.079   2.460  -8.350
  293    HB   ILE  36           HB       ILE  36  -8.329   1.266  -6.173
  294   HG12  ILE  36          2HG1      ILE  36 -11.286   1.696  -5.746
  295   HG13  ILE  36          1HG1      ILE  36 -10.743   0.217  -6.521
  296   HG21  ILE  36          1HG2      ILE  36 -10.141   3.679  -6.025
  297   HG22  ILE  36          2HG2      ILE  36  -8.422   3.771  -6.405
  298   HG23  ILE  36          3HG2      ILE  36  -8.948   3.154  -4.838
  299   HD11  ILE  36          3HD1      ILE  36 -11.095   0.124  -4.032
  300   HD12  ILE  36          1HD1      ILE  36  -9.650   1.125  -3.886
  301   HD13  ILE  36          2HD1      ILE  36  -9.546  -0.471  -4.628
  302    HA   PRO  37           HA       PRO  37  -6.086   3.314 -10.403
  303    HB2  PRO  37           2HB      PRO  37  -6.758   6.200 -10.099
  304    HB3  PRO  37           1HB      PRO  37  -6.448   5.272 -11.571
  305    HG2  PRO  37           2HG      PRO  37  -8.909   6.109 -10.936
  306    HG3  PRO  37           1HG      PRO  37  -8.635   4.551 -11.734
  307    HD2  PRO  37           2HD      PRO  37  -9.173   5.120  -8.832
  308    HD3  PRO  37           1HD      PRO  37  -9.859   3.861  -9.879
  309    HA   PRO  38           HA       PRO  38  -3.504   3.969  -6.839
  310    HB2  PRO  38           2HB      PRO  38  -1.434   5.144  -8.679
  311    HB3  PRO  38           1HB      PRO  38  -1.289   3.783  -7.560
  312    HG2  PRO  38           2HG      PRO  38  -1.448   3.377 -10.178
  313    HG3  PRO  38           1HG      PRO  38  -2.267   2.295  -9.038
  314    HD2  PRO  38           2HD      PRO  38  -3.410   4.493 -10.724
  315    HD3  PRO  38           1HD      PRO  38  -4.062   2.879 -10.381
  316    H    ASP  39           H        ASP  39  -3.820   6.740  -9.058
  317    HA   ASP  39           HA       ASP  39  -2.793   8.623  -7.220
  318    HB2  ASP  39           2HB      ASP  39  -3.660  10.363  -8.692
  319    HB3  ASP  39           1HB      ASP  39  -2.866   9.110  -9.627
  320    H    GLN  40           H        GLN  40  -5.888   7.062  -7.230
  321    HA   GLN  40           HA       GLN  40  -7.128   9.156  -5.585
  322    HB2  GLN  40           2HB      GLN  40  -8.282   6.709  -6.927
  323    HB3  GLN  40           1HB      GLN  40  -9.199   7.788  -5.886
  324    HG2  GLN  40           2HG      GLN  40  -8.462   9.640  -7.494
  325    HG3  GLN  40           1HG      GLN  40  -8.004   8.327  -8.575
  326   HE21  GLN  40          1HE2      GLN  40  -9.520   8.361 -10.166
  327   HE22  GLN  40          2HE2      GLN  40 -11.223   8.311  -9.885
  328    H    GLN  41           H        GLN  41  -5.231   6.448  -5.035
  329    HA   GLN  41           HA       GLN  41  -6.713   5.452  -2.685
  330    HB2  GLN  41           2HB      GLN  41  -4.504   4.371  -4.399
  331    HB3  GLN  41           1HB      GLN  41  -4.852   3.662  -2.828
  332    HG2  GLN  41           2HG      GLN  41  -7.225   3.375  -3.622
  333    HG3  GLN  41           1HG      GLN  41  -6.648   3.817  -5.230
  334   HE21  GLN  41          1HE2      GLN  41  -6.109   2.139  -6.511
  335   HE22  GLN  41          2HE2      GLN  41  -5.598   0.588  -5.949
  336    H    ARG  42           H        ARG  42  -6.033   5.722  -0.605
  337    HA   ARG  42           HA       ARG  42  -3.308   6.703  -0.117
  338    HB2  ARG  42           2HB      ARG  42  -5.851   7.457   1.358
  339    HB3  ARG  42           1HB      ARG  42  -4.239   7.824   1.957
  340    HG2  ARG  42           2HG      ARG  42  -3.865   9.147  -0.135
  341    HG3  ARG  42           1HG      ARG  42  -5.574   8.910  -0.504
  342    HD2  ARG  42           2HD      ARG  42  -6.266  10.136   1.382
  343    HD3  ARG  42           1HD      ARG  42  -4.665  10.071   2.119
  344    HE   ARG  42           HE       ARG  42  -4.191  11.464  -0.135
  345   HH11  ARG  42          1HH1      ARG  42  -6.655  11.961   2.378
  346   HH12  ARG  42          2HH1      ARG  42  -6.718  13.666   2.105
  347   HH21  ARG  42          1HH2      ARG  42  -4.325  13.696  -0.432
  348   HH22  ARG  42          2HH2      ARG  42  -5.409  14.643   0.534
  349    H    LEU  43           H        LEU  43  -2.141   5.349   1.218
  350    HA   LEU  43           HA       LEU  43  -3.629   3.206   2.611
  351    HB2  LEU  43           2HB      LEU  43  -0.811   3.263   1.508
  352    HB3  LEU  43           1HB      LEU  43  -1.494   1.970   2.484
  353    HG   LEU  43           HG       LEU  43  -2.615   2.804  -0.195
  354   HD11  LEU  43          1HD1      LEU  43  -0.287   1.920  -0.339
  355   HD12  LEU  43          2HD1      LEU  43  -1.488   0.937  -1.170
  356   HD13  LEU  43          3HD1      LEU  43  -0.866   0.425   0.398
  357   HD21  LEU  43          3HD2      LEU  43  -3.750   0.625  -0.082
  358   HD22  LEU  43          1HD2      LEU  43  -4.227   1.685   1.242
  359   HD23  LEU  43          2HD2      LEU  43  -3.085   0.372   1.532
  360    H    ILE  44           H        ILE  44  -3.507   3.020   4.760
  361    HA   ILE  44           HA       ILE  44  -1.505   4.596   6.274
  362    HB   ILE  44           HB       ILE  44  -4.488   4.362   6.676
  363   HG12  ILE  44          2HG1      ILE  44  -3.811   6.962   7.164
  364   HG13  ILE  44          1HG1      ILE  44  -2.548   6.550   6.024
  365   HG21  ILE  44          1HG2      ILE  44  -3.643   3.897   8.877
  366   HG22  ILE  44          2HG2      ILE  44  -4.184   5.575   8.855
  367   HG23  ILE  44          3HG2      ILE  44  -2.462   5.206   8.761
  368   HD11  ILE  44          3HD1      ILE  44  -5.380   7.018   5.564
  369   HD12  ILE  44          1HD1      ILE  44  -4.746   5.594   4.734
  370   HD13  ILE  44          2HD1      ILE  44  -3.992   7.168   4.483
  371    H    PHE  45           H        PHE  45  -0.507   3.594   7.918
  372    HA   PHE  45           HA       PHE  45  -1.491   0.999   8.910
  373    HB2  PHE  45           2HB      PHE  45   0.235   0.517   7.200
  374    HB3  PHE  45           1HB      PHE  45   1.373   1.551   8.045
  375    HD1  PHE  45           1HD      PHE  45  -0.820  -1.402   8.709
  376    HD2  PHE  45           2HD      PHE  45   2.920   0.500   9.439
  377    HE1  PHE  45           1HE      PHE  45  -0.091  -3.342  10.033
  378    HE2  PHE  45           2HE      PHE  45   3.654  -1.440  10.761
  379    HZ   PHE  45           HZ       PHE  45   2.148  -3.364  11.060
  380    H    ALA  46           H        ALA  46  -1.516   1.051  11.180
  381    HA   ALA  46           HA       ALA  46  -1.325   1.921  13.288
  382    HB1  ALA  46           1HB      ALA  46   1.103   2.291  13.978
  383    HB2  ALA  46           2HB      ALA  46   1.515   1.869  12.316
  384    HB3  ALA  46           3HB      ALA  46   0.674   0.704  13.337
  385    H    GLY  47           H        GLY  47  -2.341   3.885  11.645
  386    HA2  GLY  47           2HA      GLY  47  -2.889   6.107  11.814
  387    HA3  GLY  47           1HA      GLY  47  -1.714   6.257  13.100
  388    H    LYS  48           H        LYS  48   0.013   5.126  10.432
  389    HA   LYS  48           HA       LYS  48   0.763   7.882   9.642
  390    HB2  LYS  48           2HB      LYS  48   2.951   6.959   8.993
  391    HB3  LYS  48           1HB      LYS  48   2.601   6.828  10.708
  392    HG2  LYS  48           2HG      LYS  48   2.396   4.540  10.639
  393    HG3  LYS  48           1HG      LYS  48   2.044   4.517   8.917
  394    HD2  LYS  48           2HD      LYS  48   4.171   3.783   8.760
  395    HD3  LYS  48           1HD      LYS  48   4.567   5.491   8.823
  396    HE2  LYS  48           2HE      LYS  48   6.005   4.498  10.381
  397    HE3  LYS  48           1HE      LYS  48   4.713   5.191  11.360
  398    HZ1  LYS  48           3HZ      LYS  48   5.326   2.925  12.037
  399    HZ2  LYS  48           1HZ      LYS  48   4.853   2.346  10.519
  400    HZ3  LYS  48           2HZ      LYS  48   3.707   3.034  11.558
  401    H    GLN  49           H        GLN  49   0.803   8.518   7.508
  402    HA   GLN  49           HA       GLN  49  -0.504   6.797   5.550
  403    HB2  GLN  49           2HB      GLN  49   0.617   9.607   5.385
  404    HB3  GLN  49           1HB      GLN  49  -0.067   8.768   3.998
  405    HG2  GLN  49           2HG      GLN  49  -2.210   8.692   4.980
  406    HG3  GLN  49           1HG      GLN  49  -1.586   9.205   6.547
  407   HE21  GLN  49          1HE2      GLN  49  -2.233  10.275   3.223
  408   HE22  GLN  49          2HE2      GLN  49  -2.321  11.956   3.610
  409    H    LEU  50           H        LEU  50   0.570   5.520   4.054
  410    HA   LEU  50           HA       LEU  50   3.465   5.366   4.185
  411    HB2  LEU  50           2HB      LEU  50   1.662   3.708   2.425
  412    HB3  LEU  50           1HB      LEU  50   3.299   3.358   2.918
  413    HG   LEU  50           HG       LEU  50   0.918   3.433   4.776
  414   HD11  LEU  50          1HD1      LEU  50   0.677   1.596   3.246
  415   HD12  LEU  50          2HD1      LEU  50   1.156   0.973   4.826
  416   HD13  LEU  50          3HD1      LEU  50   2.343   1.091   3.527
  417   HD21  LEU  50          3HD2      LEU  50   3.633   2.256   5.334
  418   HD22  LEU  50          1HD2      LEU  50   2.325   2.584   6.471
  419   HD23  LEU  50          2HD2      LEU  50   3.217   3.919   5.746
  420    H    GLU  51           H        GLU  51   4.928   5.993   2.617
  421    HA   GLU  51           HA       GLU  51   3.911   7.586   0.378
  422    HB2  GLU  51           2HB      GLU  51   6.690   7.192   1.503
  423    HB3  GLU  51           1HB      GLU  51   6.363   8.145   0.060
  424    HG2  GLU  51           2HG      GLU  51   5.250   9.796   1.221
  425    HG3  GLU  51           1HG      GLU  51   4.955   8.774   2.626
  426    H    ASP  52           H        ASP  52   4.263   7.244  -1.798
  427    HA   ASP  52           HA       ASP  52   4.312   4.582  -2.683
  428    HB2  ASP  52           2HB      ASP  52   4.614   7.151  -4.238
  429    HB3  ASP  52           1HB      ASP  52   4.457   5.561  -4.982
  430    H    GLY  53           H        GLY  53   7.016   6.821  -2.345
  431    HA2  GLY  53           2HA      GLY  53   8.790   5.168  -3.956
  432    HA3  GLY  53           1HA      GLY  53   9.227   6.609  -3.062
  433    H    ARG  54           H        ARG  54   7.645   4.657  -0.834
  434    HA   ARG  54           HA       ARG  54  10.212   3.527   0.134
  435    HB2  ARG  54           2HB      ARG  54   7.632   4.074   1.632
  436    HB3  ARG  54           1HB      ARG  54   9.067   3.356   2.337
  437    HG2  ARG  54           2HG      ARG  54   8.744   6.188   1.344
  438    HG3  ARG  54           1HG      ARG  54   8.929   5.637   2.995
  439    HD2  ARG  54           2HD      ARG  54  11.196   4.876   2.532
  440    HD3  ARG  54           1HD      ARG  54  11.033   5.371   0.848
  441    HE   ARG  54           HE       ARG  54  11.407   7.539   1.473
  442   HH11  ARG  54          1HH1      ARG  54  10.755   5.728   4.458
  443   HH12  ARG  54          2HH1      ARG  54  11.189   7.061   5.469
  444   HH21  ARG  54          1HH2      ARG  54  11.960   9.236   2.855
  445   HH22  ARG  54          2HH2      ARG  54  11.866   9.030   4.572
  446    H    THR  55           H        THR  55  10.066   1.432   1.335
  447    HA   THR  55           HA       THR  55   8.317  -0.484  -0.108
  448    HB   THR  55           HB       THR  55   9.891  -2.220   0.469
  449    HG1  THR  55           1HG      THR  55  11.463  -1.966   1.881
  450   HG21  THR  55          3HG2      THR  55  11.710  -1.707  -0.884
  451   HG22  THR  55          1HG2      THR  55  11.648   0.009  -0.476
  452   HG23  THR  55          2HG2      THR  55  10.402  -0.698  -1.503
  453    H    LEU  56           H        LEU  56   7.636  -2.417   1.104
  454    HA   LEU  56           HA       LEU  56   6.143  -1.825   3.425
  455    HB2  LEU  56           2HB      LEU  56   7.046  -4.517   2.406
  456    HB3  LEU  56           1HB      LEU  56   5.824  -4.267   3.640
  457    HG   LEU  56           HG       LEU  56   5.598  -3.352   0.770
  458   HD11  LEU  56          1HD1      LEU  56   4.109  -5.177   0.420
  459   HD12  LEU  56          2HD1      LEU  56   4.173  -5.631   2.123
  460   HD13  LEU  56          3HD1      LEU  56   5.600  -5.825   1.106
  461   HD21  LEU  56          3HD2      LEU  56   3.698  -3.257   3.112
  462   HD22  LEU  56          1HD2      LEU  56   3.157  -3.111   1.442
  463   HD23  LEU  56          2HD2      LEU  56   4.262  -1.915   2.118
  464    H    SER  57           H        SER  57   9.393  -3.236   3.195
  465    HA   SER  57           HA       SER  57   9.615  -4.000   5.938
  466    HB2  SER  57           2HB      SER  57  11.103  -5.079   4.377
  467    HB3  SER  57           1HB      SER  57  11.750  -3.518   3.857
  468    HG   SER  57           HG       SER  57  12.302  -5.026   6.130
  469    H    ASP  58           H        ASP  58  10.249  -0.962   4.221
  470    HA   ASP  58           HA       ASP  58  11.785   0.343   6.208
  471    HB2  ASP  58           2HB      ASP  58   9.889   1.519   4.159
  472    HB3  ASP  58           1HB      ASP  58  10.973   2.476   5.154
  473    H    TYR  59           H        TYR  59   8.313  -0.212   6.020
  474    HA   TYR  59           HA       TYR  59   7.822   1.493   8.374
  475    HB2  TYR  59           2HB      TYR  59   5.948   0.148   6.401
  476    HB3  TYR  59           1HB      TYR  59   5.399   0.985   7.853
  477    HD1  TYR  59           1HD      TYR  59   6.145   3.446   8.123
  478    HD2  TYR  59           2HD      TYR  59   6.270   1.367   4.412
  479    HE1  TYR  59           1HE      TYR  59   6.199   5.591   6.927
  480    HE2  TYR  59           2HE      TYR  59   6.326   3.511   3.206
  481    HH   TYR  59           HH       TYR  59   7.203   6.113   4.127
  482    H    ASN  60           H        ASN  60   8.961  -1.525   8.128
  483    HA   ASN  60           HA       ASN  60   8.947  -3.421   9.315
  484    HB2  ASN  60           2HB      ASN  60   7.835  -1.565  11.433
  485    HB3  ASN  60           1HB      ASN  60   8.383  -3.206  11.759
  486   HD21  ASN  60          1HD2      ASN  60  10.634  -3.693  11.598
  487   HD22  ASN  60          2HD2      ASN  60  11.809  -2.428  11.616
  488    H    ILE  61           H        ILE  61   6.763  -3.239   7.562
  489    HA   ILE  61           HA       ILE  61   4.406  -4.243   8.963
  490    HB   ILE  61           HB       ILE  61   4.928  -3.961   5.978
  491   HG12  ILE  61          2HG1      ILE  61   3.135  -2.289   7.746
  492   HG13  ILE  61          1HG1      ILE  61   4.789  -1.834   7.369
  493   HG21  ILE  61          1HG2      ILE  61   2.514  -4.302   5.677
  494   HG22  ILE  61          2HG2      ILE  61   2.329  -4.570   7.411
  495   HG23  ILE  61          3HG2      ILE  61   3.257  -5.709   6.434
  496   HD11  ILE  61          3HD1      ILE  61   4.105  -1.932   4.928
  497   HD12  ILE  61          1HD1      ILE  61   3.450  -0.610   5.892
  498   HD13  ILE  61          2HD1      ILE  61   2.442  -2.007   5.511
  499    H    GLN  62           H        GLN  62   4.095  -6.321   9.463
  500    HA   GLN  62           HA       GLN  62   5.866  -8.403   8.317
  501    HB2  GLN  62           2HB      GLN  62   4.536  -8.098  11.015
  502    HB3  GLN  62           1HB      GLN  62   5.374  -9.559  10.506
  503    HG2  GLN  62           2HG      GLN  62   7.446  -8.294  10.268
  504    HG3  GLN  62           1HG      GLN  62   6.608  -6.825  10.767
  505   HE21  GLN  62          1HE2      GLN  62   6.207  -6.466  12.951
  506   HE22  GLN  62          2HE2      GLN  62   6.797  -7.518  14.188
  507    H    LYS  63           H        LYS  63   4.873 -10.693   8.547
  508    HA   LYS  63           HA       LYS  63   2.700 -10.975   6.880
  509    HB2  LYS  63           2HB      LYS  63   2.472 -13.316   7.667
  510    HB3  LYS  63           1HB      LYS  63   4.122 -12.877   7.252
  511    HG2  LYS  63           2HG      LYS  63   4.692 -12.639   9.588
  512    HG3  LYS  63           1HG      LYS  63   3.025 -12.992  10.053
  513    HD2  LYS  63           2HD      LYS  63   3.192 -15.227   9.238
  514    HD3  LYS  63           1HD      LYS  63   4.744 -14.893   8.467
  515    HE2  LYS  63           2HE      LYS  63   5.828 -14.674  10.578
  516    HE3  LYS  63           1HE      LYS  63   4.291 -14.711  11.439
  517    HZ1  LYS  63           3HZ      LYS  63   3.986 -16.999  10.713
  518    HZ2  LYS  63           1HZ      LYS  63   5.428 -16.830  11.585
  519    HZ3  LYS  63           2HZ      LYS  63   5.469 -16.962   9.900
  520    H    GLU  64           H        GLU  64   0.488 -11.268   7.039
  521    HA   GLU  64           HA       GLU  64  -1.621 -11.092   7.810
  522    HB2  GLU  64           2HB      GLU  64  -0.504 -11.955  10.478
  523    HB3  GLU  64           1HB      GLU  64  -2.212 -11.833  10.079
  524    HG2  GLU  64           2HG      GLU  64  -1.641 -13.478   8.168
  525    HG3  GLU  64           1HG      GLU  64  -0.178 -13.804   9.102
  526    H    SER  65           H        SER  65   0.314  -8.679   8.175
  527    HA   SER  65           HA       SER  65  -0.985  -7.128  10.261
  528    HB2  SER  65           2HB      SER  65   0.949  -6.436   8.041
  529    HB3  SER  65           1HB      SER  65   0.254  -5.213   9.104
  530    HG   SER  65           HG       SER  65   1.943  -7.380   9.786
  531    H    THR  66           H        THR  66  -2.371  -5.302   9.901
  532    HA   THR  66           HA       THR  66  -4.037  -5.499   7.460
  533    HB   THR  66           HB       THR  66  -4.795  -4.398  10.173
  534    HG1  THR  66           1HG      THR  66  -5.545  -6.355  10.684
  535   HG21  THR  66          3HG2      THR  66  -6.442  -5.237   7.795
  536   HG22  THR  66          1HG2      THR  66  -6.309  -3.621   8.488
  537   HG23  THR  66          2HG2      THR  66  -7.101  -4.908   9.399
  538    H    LEU  67           H        LEU  67  -3.975  -3.799   6.094
  539    HA   LEU  67           HA       LEU  67  -3.041  -1.153   7.010
  540    HB2  LEU  67           2HB      LEU  67  -3.245  -2.109   4.144
  541    HB3  LEU  67           1HB      LEU  67  -2.484  -0.645   4.738
  542    HG   LEU  67           HG       LEU  67  -0.908  -2.400   6.008
  543   HD11  LEU  67          1HD1      LEU  67  -0.449  -4.335   4.559
  544   HD12  LEU  67          2HD1      LEU  67  -1.934  -3.974   3.679
  545   HD13  LEU  67          3HD1      LEU  67  -2.005  -4.404   5.386
  546   HD21  LEU  67          3HD2      LEU  67   0.631  -2.328   4.068
  547   HD22  LEU  67          1HD2      LEU  67  -0.040  -0.756   4.505
  548   HD23  LEU  67          2HD2      LEU  67  -0.675  -1.631   3.110
  549    H    HIS  68           H        HIS  68  -4.264   0.700   6.210
  550    HA   HIS  68           HA       HIS  68  -7.092   0.094   5.608
  551    HB2  HIS  68           2HB      HIS  68  -5.818   2.414   7.081
  552    HB3  HIS  68           1HB      HIS  68  -7.518   2.356   6.644
  553    HD1  HIS  68           1HD      HIS  68  -4.990   0.650   8.857
  554    HD2  HIS  68           2HD      HIS  68  -9.109   0.908   8.384
  555    HE1  HIS  68           1HE      HIS  68  -5.967  -0.487  10.872
  556    H    LEU  69           H        LEU  69  -8.009   0.935   3.794
  557    HA   LEU  69           HA       LEU  69  -6.349   2.699   2.087
  558    HB2  LEU  69           2HB      LEU  69  -6.989   0.469   1.173
  559    HB3  LEU  69           1HB      LEU  69  -8.675   0.900   1.365
  560    HG   LEU  69           HG       LEU  69  -8.306   2.743  -0.280
  561   HD11  LEU  69          1HD1      LEU  69  -5.890   2.990  -0.004
  562   HD12  LEU  69          2HD1      LEU  69  -6.326   2.692  -1.687
  563   HD13  LEU  69          3HD1      LEU  69  -5.651   1.391  -0.706
  564   HD21  LEU  69          3HD2      LEU  69  -8.323   1.301  -2.231
  565   HD22  LEU  69          1HD2      LEU  69  -9.280   0.594  -0.929
  566   HD23  LEU  69          2HD2      LEU  69  -7.665  -0.025  -1.270
  567    H    VAL  70           H        VAL  70  -7.057   4.764   1.707
  568    HA   VAL  70           HA       VAL  70  -9.831   5.483   2.278
  569    HB   VAL  70           HB       VAL  70  -7.215   6.815   2.888
  570   HG11  VAL  70          1HG1      VAL  70  -8.399   8.626   1.737
  571   HG12  VAL  70          2HG1      VAL  70  -8.328   8.963   3.468
  572   HG13  VAL  70          3HG1      VAL  70  -9.819   8.357   2.747
  573   HG21  VAL  70          3HG2      VAL  70  -8.134   7.179   5.070
  574   HG22  VAL  70          1HG2      VAL  70  -8.212   5.486   4.586
  575   HG23  VAL  70          2HG2      VAL  70  -9.669   6.483   4.545
  576    H    LEU  71           H        LEU  71 -10.862   6.627   0.623
  577    HA   LEU  71           HA       LEU  71  -9.380   6.886  -1.906
  578    HB2  LEU  71           2HB      LEU  71 -12.360   6.818  -1.417
  579    HB3  LEU  71           1HB      LEU  71 -11.584   6.881  -2.989
  580    HG   LEU  71           HG       LEU  71 -11.184   4.594  -1.060
  581   HD11  LEU  71          1HD1      LEU  71 -13.100   4.705  -3.384
  582   HD12  LEU  71          2HD1      LEU  71 -13.570   4.833  -1.690
  583   HD13  LEU  71          3HD1      LEU  71 -12.831   3.348  -2.290
  584   HD21  LEU  71          3HD2      LEU  71 -10.369   3.414  -3.010
  585   HD22  LEU  71          1HD2      LEU  71  -9.465   4.913  -2.800
  586   HD23  LEU  71          2HD2      LEU  71 -10.721   4.807  -4.034
  587    H    ARG  72           H        ARG  72  -9.161   8.782  -2.991
  588    HA   ARG  72           HA       ARG  72  -9.927  11.240  -1.593
  589    HB2  ARG  72           2HB      ARG  72  -8.036  10.622  -3.855
  590    HB3  ARG  72           1HB      ARG  72  -8.487  12.275  -3.472
  591    HG2  ARG  72           2HG      ARG  72  -7.636  11.961  -1.188
  592    HG3  ARG  72           1HG      ARG  72  -7.129  10.327  -1.623
  593    HD2  ARG  72           2HD      ARG  72  -6.187  12.671  -3.241
  594    HD3  ARG  72           1HD      ARG  72  -5.418  12.289  -1.707
  595    HE   ARG  72           HE       ARG  72  -5.637  10.068  -3.557
  596   HH11  ARG  72          1HH1      ARG  72  -3.506  12.694  -2.462
  597   HH12  ARG  72          2HH1      ARG  72  -2.084  11.901  -3.041
  598   HH21  ARG  72          1HH2      ARG  72  -3.739   9.097  -4.290
  599   HH22  ARG  72          2HH2      ARG  72  -2.213   9.885  -4.070
  600    H    LEU  73           H        LEU  73 -10.585  13.142  -3.078
  601    HA   LEU  73           HA       LEU  73 -12.145  12.450  -5.424
  602    HB2  LEU  73           2HB      LEU  73 -13.595  11.980  -3.380
  603    HB3  LEU  73           1HB      LEU  73 -13.594  13.707  -3.099
  604    HG   LEU  73           HG       LEU  73 -14.574  13.971  -5.428
  605   HD11  LEU  73          1HD1      LEU  73 -14.863  10.985  -5.136
  606   HD12  LEU  73          2HD1      LEU  73 -13.975  11.856  -6.388
  607   HD13  LEU  73          3HD1      LEU  73 -15.735  11.963  -6.317
  608   HD21  LEU  73          3HD2      LEU  73 -16.119  12.480  -3.311
  609   HD22  LEU  73          1HD2      LEU  73 -16.853  13.270  -4.707
  610   HD23  LEU  73          2HD2      LEU  73 -15.986  14.227  -3.504
  611    H    ARG  74           H        ARG  74 -12.544  14.201  -6.783
  612    HA   ARG  74           HA       ARG  74 -11.760  16.893  -5.852
  613    HB2  ARG  74           2HB      ARG  74 -10.833  15.561  -8.409
  614    HB3  ARG  74           1HB      ARG  74 -10.557  17.245  -7.988
  615    HG2  ARG  74           2HG      ARG  74  -9.571  14.959  -6.300
  616    HG3  ARG  74           1HG      ARG  74  -8.627  15.666  -7.613
  617    HD2  ARG  74           2HD      ARG  74  -8.727  17.847  -6.515
  618    HD3  ARG  74           1HD      ARG  74  -9.688  17.152  -5.211
  619    HE   ARG  74           HE       ARG  74  -7.776  16.316  -4.289
  620   HH11  ARG  74          1HH1      ARG  74  -6.958  17.197  -7.629
  621   HH12  ARG  74          2HH1      ARG  74  -5.271  16.904  -7.391
  622   HH21  ARG  74          1HH2      ARG  74  -5.557  15.955  -4.047
  623   HH22  ARG  74          2HH2      ARG  74  -4.482  16.209  -5.382
  624    H    GLY  75           H        GLY  75 -13.463  18.216  -6.153
  625    HA2  GLY  75           2HA      GLY  75 -15.606  17.545  -7.954
  626    HA3  GLY  75           1HA      GLY  75 -15.501  18.970  -6.933
  627    H    GLY  76           H        GLY  76 -15.841  20.687  -8.251
  628    HA2  GLY  76           2HA      GLY  76 -14.012  21.810  -9.911
  629    HA3  GLY  76           1HA      GLY  76 -14.874  20.722 -10.986
  Start of MODEL    8
    1    H1   MET   1           1HT      MET   1   5.872 -13.425   2.114
    2    H2   MET   1           2HT      MET   1   5.048 -12.102   1.400
    3    H3   MET   1           3HT      MET   1   4.510 -13.700   1.111
    4    HA   MET   1           HA       MET   1   3.919 -13.977   3.345
    5    HB2  MET   1           2HB      MET   1   4.039 -12.026   4.907
    6    HB3  MET   1           1HB      MET   1   5.612 -12.611   4.413
    7    HG2  MET   1           2HG      MET   1   5.786 -10.757   2.812
    8    HG3  MET   1           1HG      MET   1   4.210 -10.174   3.346
    9    HE1  MET   1           2HE      MET   1   5.863  -7.395   5.169
   10    HE2  MET   1           3HE      MET   1   4.237  -8.070   5.065
   11    HE3  MET   1           1HE      MET   1   5.228  -7.931   3.614
   12    H    GLN   2           H        GLN   2   1.798 -13.414   4.086
   13    HA   GLN   2           HA       GLN   2   0.165 -11.979   2.096
   14    HB2  GLN   2           2HB      GLN   2  -0.589 -13.804   4.387
   15    HB3  GLN   2           1HB      GLN   2  -1.742 -13.027   3.310
   16    HG2  GLN   2           2HG      GLN   2  -0.831 -14.236   1.418
   17    HG3  GLN   2           1HG      GLN   2   0.393 -14.969   2.454
   18   HE21  GLN   2          1HE2      GLN   2  -3.110 -14.779   1.863
   19   HE22  GLN   2          2HE2      GLN   2  -3.469 -16.324   2.547
   20    H    ILE   3           H        ILE   3  -1.143 -10.247   2.578
   21    HA   ILE   3           HA       ILE   3  -1.106  -9.135   5.294
   22    HB   ILE   3           HB       ILE   3  -0.789  -6.867   4.445
   23   HG12  ILE   3          2HG1      ILE   3   0.123  -8.026   1.799
   24   HG13  ILE   3          1HG1      ILE   3  -1.529  -7.463   2.027
   25   HG21  ILE   3          1HG2      ILE   3   1.645  -7.109   3.897
   26   HG22  ILE   3          2HG2      ILE   3   1.390  -8.854   3.844
   27   HG23  ILE   3          3HG2      ILE   3   1.109  -7.966   5.343
   28   HD11  ILE   3          3HD1      ILE   3   0.094  -5.844   0.983
   29   HD12  ILE   3          1HD1      ILE   3   0.845  -5.724   2.573
   30   HD13  ILE   3          2HD1      ILE   3  -0.840  -5.249   2.356
   31    H    PHE   4           H        PHE   4  -2.970  -7.424   5.559
   32    HA   PHE   4           HA       PHE   4  -5.240  -8.068   3.781
   33    HB2  PHE   4           2HB      PHE   4  -5.241  -7.608   6.774
   34    HB3  PHE   4           1HB      PHE   4  -6.673  -7.822   5.790
   35    HD1  PHE   4           1HD      PHE   4  -7.228 -10.008   4.840
   36    HD2  PHE   4           2HD      PHE   4  -3.840  -9.488   7.367
   37    HE1  PHE   4           1HE      PHE   4  -7.087 -12.444   5.147
   38    HE2  PHE   4           2HE      PHE   4  -3.696 -11.924   7.679
   39    HZ   PHE   4           HZ       PHE   4  -5.320 -13.405   6.568
   40    H    VAL   5           H        VAL   5  -6.497  -6.349   3.075
   41    HA   VAL   5           HA       VAL   5  -5.815  -3.637   4.082
   42    HB   VAL   5           HB       VAL   5  -6.749  -4.267   1.261
   43   HG11  VAL   5          1HG1      VAL   5  -7.278  -1.980   2.165
   44   HG12  VAL   5          2HG1      VAL   5  -6.247  -1.973   0.736
   45   HG13  VAL   5          3HG1      VAL   5  -5.543  -1.707   2.330
   46   HG21  VAL   5          3HG2      VAL   5  -3.953  -3.728   2.278
   47   HG22  VAL   5          1HG2      VAL   5  -4.421  -3.652   0.573
   48   HG23  VAL   5          2HG2      VAL   5  -4.543  -5.175   1.449
   49    H    LYS   6           H        LYS   6  -7.522  -2.608   5.036
   50    HA   LYS   6           HA       LYS   6 -10.243  -3.657   4.591
   51    HB2  LYS   6           2HB      LYS   6  -8.842  -2.506   6.942
   52    HB3  LYS   6           1HB      LYS   6 -10.518  -1.995   6.753
   53    HG2  LYS   6           2HG      LYS   6 -10.869  -4.626   6.432
   54    HG3  LYS   6           1HG      LYS   6  -9.386  -4.683   7.382
   55    HD2  LYS   6           2HD      LYS   6 -10.447  -3.400   9.147
   56    HD3  LYS   6           1HD      LYS   6 -11.910  -3.243   8.174
   57    HE2  LYS   6           2HE      LYS   6 -10.778  -5.905   9.001
   58    HE3  LYS   6           1HE      LYS   6 -11.945  -5.017   9.979
   59    HZ1  LYS   6           3HZ      LYS   6 -12.387  -5.901   7.178
   60    HZ2  LYS   6           1HZ      LYS   6 -13.508  -5.095   8.156
   61    HZ3  LYS   6           2HZ      LYS   6 -13.012  -6.662   8.553
   62    H    THR   7           H        THR   7 -11.872  -2.398   3.780
   63    HA   THR   7           HA       THR   7 -11.143   0.290   2.858
   64    HB   THR   7           HB       THR   7 -12.830   0.092   1.173
   65    HG1  THR   7           1HG      THR   7 -14.392  -1.407   1.172
   66   HG21  THR   7          3HG2      THR   7 -11.622  -2.650   1.304
   67   HG22  THR   7          1HG2      THR   7 -10.773  -1.215   0.729
   68   HG23  THR   7          2HG2      THR   7 -12.208  -1.790  -0.120
   69    H    LEU   8           H        LEU   8 -12.818   2.000   2.862
   70    HA   LEU   8           HA       LEU   8 -13.864   2.368   5.454
   71    HB2  LEU   8           2HB      LEU   8 -14.626   3.862   2.955
   72    HB3  LEU   8           1HB      LEU   8 -14.959   4.395   4.592
   73    HG   LEU   8           HG       LEU   8 -12.177   3.913   3.562
   74   HD11  LEU   8          1HD1      LEU   8 -12.005   6.373   3.366
   75   HD12  LEU   8          2HD1      LEU   8 -13.743   6.484   3.642
   76   HD13  LEU   8          3HD1      LEU   8 -13.128   5.660   2.209
   77   HD21  LEU   8          3HD2      LEU   8 -13.194   5.453   5.945
   78   HD22  LEU   8          1HD2      LEU   8 -11.505   5.256   5.479
   79   HD23  LEU   8          2HD2      LEU   8 -12.445   3.857   5.997
   80    H    THR   9           H        THR   9 -15.319   0.538   3.014
   81    HA   THR   9           HA       THR   9 -18.083   0.941   3.969
   82    HB   THR   9           HB       THR   9 -18.827  -0.297   1.995
   83    HG1  THR   9           1HG      THR   9 -17.479  -1.341   0.708
   84   HG21  THR   9          3HG2      THR   9 -18.653   1.921   1.355
   85   HG22  THR   9          1HG2      THR   9 -17.676   1.086   0.148
   86   HG23  THR   9          2HG2      THR   9 -16.894   1.927   1.487
   87    H    GLY  10           H        GLY  10 -15.523  -1.275   4.537
   88    HA2  GLY  10           2HA      GLY  10 -15.906  -2.808   6.372
   89    HA3  GLY  10           1HA      GLY  10 -17.469  -3.191   5.689
   90    H    LYS  11           H        LYS  11 -14.869  -2.950   3.419
   91    HA   LYS  11           HA       LYS  11 -14.979  -5.852   3.106
   92    HB2  LYS  11           2HB      LYS  11 -15.460  -4.237   1.189
   93    HB3  LYS  11           1HB      LYS  11 -13.726  -3.980   1.102
   94    HG2  LYS  11           2HG      LYS  11 -13.375  -6.329   0.627
   95    HG3  LYS  11           1HG      LYS  11 -15.103  -6.644   0.809
   96    HD2  LYS  11           2HD      LYS  11 -15.542  -5.088  -1.067
   97    HD3  LYS  11           1HD      LYS  11 -13.801  -4.896  -1.279
   98    HE2  LYS  11           2HE      LYS  11 -14.501  -6.509  -2.871
   99    HE3  LYS  11           1HE      LYS  11 -13.676  -7.394  -1.587
  100    HZ1  LYS  11           3HZ      LYS  11 -16.623  -7.093  -1.790
  101    HZ2  LYS  11           1HZ      LYS  11 -15.778  -8.044  -0.675
  102    HZ3  LYS  11           2HZ      LYS  11 -15.761  -8.450  -2.317
  103    H    THR  12           H        THR  12 -13.211  -7.225   3.235
  104    HA   THR  12           HA       THR  12 -10.576  -5.998   3.825
  105    HB   THR  12           HB       THR  12 -11.520  -8.752   4.687
  106    HG1  THR  12           1HG      THR  12 -12.222  -7.909   6.507
  107   HG21  THR  12          3HG2      THR  12  -9.003  -8.207   4.591
  108   HG22  THR  12          1HG2      THR  12  -9.653  -8.894   6.079
  109   HG23  THR  12          2HG2      THR  12  -9.325  -7.163   5.976
  110    H    ILE  13           H        ILE  13  -9.059  -6.353   2.281
  111    HA   ILE  13           HA       ILE  13  -9.463  -8.555   0.349
  112    HB   ILE  13           HB       ILE  13  -7.486  -6.331  -0.220
  113   HG12  ILE  13          2HG1      ILE  13 -10.424  -6.048  -0.916
  114   HG13  ILE  13          1HG1      ILE  13  -9.634  -5.183   0.397
  115   HG21  ILE  13          1HG2      ILE  13  -8.017  -6.867  -2.530
  116   HG22  ILE  13          2HG2      ILE  13  -9.268  -7.991  -1.998
  117   HG23  ILE  13          3HG2      ILE  13  -7.574  -8.322  -1.635
  118   HD11  ILE  13          3HD1      ILE  13  -8.201  -4.036  -1.161
  119   HD12  ILE  13          1HD1      ILE  13  -9.890  -3.821  -1.623
  120   HD13  ILE  13          2HD1      ILE  13  -8.873  -4.962  -2.504
  121    H    THR  14           H        THR  14  -7.817 -10.078   0.051
  122    HA   THR  14           HA       THR  14  -5.524  -9.908   1.896
  123    HB   THR  14           HB       THR  14  -6.439 -12.361   0.375
  124    HG1  THR  14           1HG      THR  14  -8.180 -12.049   1.584
  125   HG21  THR  14          3HG2      THR  14  -4.696 -11.908   2.769
  126   HG22  THR  14          1HG2      THR  14  -4.327 -12.773   1.278
  127   HG23  THR  14          2HG2      THR  14  -5.450 -13.469   2.446
  128    H    LEU  15           H        LEU  15  -3.515  -9.634   1.104
  129    HA   LEU  15           HA       LEU  15  -3.137  -9.891  -1.816
  130    HB2  LEU  15           2HB      LEU  15  -2.557  -7.656   0.048
  131    HB3  LEU  15           1HB      LEU  15  -1.283  -7.984  -1.102
  132    HG   LEU  15           HG       LEU  15  -3.162  -7.841  -2.899
  133   HD11  LEU  15          1HD1      LEU  15  -4.429  -6.224  -0.703
  134   HD12  LEU  15          2HD1      LEU  15  -5.038  -7.757  -1.329
  135   HD13  LEU  15          3HD1      LEU  15  -4.973  -6.340  -2.378
  136   HD21  LEU  15          3HD2      LEU  15  -2.795  -5.410  -3.058
  137   HD22  LEU  15          1HD2      LEU  15  -1.310  -6.322  -2.781
  138   HD23  LEU  15          2HD2      LEU  15  -2.066  -5.442  -1.452
  139    H    GLU  16           H        GLU  16  -1.223 -10.843  -2.515
  140    HA   GLU  16           HA       GLU  16   0.530 -12.024  -0.455
  141    HB2  GLU  16           2HB      GLU  16  -0.485 -13.483  -2.309
  142    HB3  GLU  16           1HB      GLU  16   0.567 -12.632  -3.430
  143    HG2  GLU  16           2HG      GLU  16   1.652 -14.024  -1.006
  144    HG3  GLU  16           1HG      GLU  16   1.339 -14.892  -2.507
  145    H    VAL  17           H        VAL  17   2.411 -10.919  -0.067
  146    HA   VAL  17           HA       VAL  17   3.598  -9.266  -2.208
  147    HB   VAL  17           HB       VAL  17   3.981  -7.440  -0.558
  148   HG11  VAL  17          1HG1      VAL  17   2.183  -7.265  -2.157
  149   HG12  VAL  17          2HG1      VAL  17   1.663  -6.584  -0.615
  150   HG13  VAL  17          3HG1      VAL  17   1.111  -8.186  -1.102
  151   HG21  VAL  17          3HG2      VAL  17   2.570  -7.363   1.487
  152   HG22  VAL  17          1HG2      VAL  17   3.774  -8.652   1.544
  153   HG23  VAL  17          2HG2      VAL  17   2.089  -9.033   1.191
  154    H    GLU  18           H        GLU  18   5.807  -8.454  -1.593
  155    HA   GLU  18           HA       GLU  18   7.282 -10.313   0.179
  156    HB2  GLU  18           2HB      GLU  18   8.176  -8.956  -2.390
  157    HB3  GLU  18           1HB      GLU  18   9.264  -9.796  -1.297
  158    HG2  GLU  18           2HG      GLU  18   6.897 -11.122  -2.582
  159    HG3  GLU  18           1HG      GLU  18   8.494 -11.075  -3.327
  160    HA   PRO  19           HA       PRO  19   8.169  -6.693   2.605
  161    HB2  PRO  19           2HB      PRO  19  10.994  -7.536   2.962
  162    HB3  PRO  19           1HB      PRO  19   9.737  -7.192   4.160
  163    HG2  PRO  19           2HG      PRO  19  10.483  -9.716   3.607
  164    HG3  PRO  19           1HG      PRO  19   8.804  -9.299   3.987
  165    HD2  PRO  19           2HD      PRO  19  10.043  -9.851   1.301
  166    HD3  PRO  19           1HD      PRO  19   8.455 -10.341   1.945
  167    H    SER  20           H        SER  20  10.387  -7.397  -0.056
  168    HA   SER  20           HA       SER  20  11.533  -4.734  -0.105
  169    HB2  SER  20           2HB      SER  20  12.599  -5.574  -2.244
  170    HB3  SER  20           1HB      SER  20  12.993  -6.477  -0.783
  171    HG   SER  20           HG       SER  20  12.173  -7.545  -2.924
  172    H    ASP  21           H        ASP  21   8.458  -5.742  -1.036
  173    HA   ASP  21           HA       ASP  21   8.251  -4.508  -3.615
  174    HB2  ASP  21           2HB      ASP  21   6.232  -5.501  -1.610
  175    HB3  ASP  21           1HB      ASP  21   5.715  -4.590  -3.022
  176    H    THR  22           H        THR  22   7.477  -2.454  -4.106
  177    HA   THR  22           HA       THR  22   7.692  -0.411  -2.047
  178    HB   THR  22           HB       THR  22   7.492   1.186  -3.873
  179    HG1  THR  22           1HG      THR  22   6.942   0.615  -5.858
  180   HG21  THR  22          3HG2      THR  22   9.717   0.567  -3.625
  181   HG22  THR  22          1HG2      THR  22   9.400   0.387  -5.351
  182   HG23  THR  22          2HG2      THR  22   9.446  -1.036  -4.309
  183    H    ILE  23           H        ILE  23   6.045   1.246  -1.728
  184    HA   ILE  23           HA       ILE  23   3.399   0.261  -1.332
  185    HB   ILE  23           HB       ILE  23   4.454   3.083  -1.394
  186   HG12  ILE  23          2HG1      ILE  23   5.470   1.703   0.316
  187   HG13  ILE  23          1HG1      ILE  23   4.449   2.922   1.055
  188   HG21  ILE  23          1HG2      ILE  23   1.788   2.191  -0.312
  189   HG22  ILE  23          2HG2      ILE  23   2.036   3.158  -1.766
  190   HG23  ILE  23          3HG2      ILE  23   2.468   3.813  -0.187
  191   HD11  ILE  23          3HD1      ILE  23   3.898  -0.020   0.798
  192   HD12  ILE  23          1HD1      ILE  23   2.670   1.153   1.273
  193   HD13  ILE  23          2HD1      ILE  23   4.108   0.930   2.268
  194    H    GLU  24           H        GLU  24   4.764   2.218  -4.021
  195    HA   GLU  24           HA       GLU  24   2.373   2.660  -5.504
  196    HB2  GLU  24           2HB      GLU  24   4.661   3.670  -5.990
  197    HB3  GLU  24           1HB      GLU  24   5.121   2.122  -6.680
  198    HG2  GLU  24           2HG      GLU  24   3.507   2.353  -8.430
  199    HG3  GLU  24           1HG      GLU  24   2.813   3.784  -7.669
  200    H    ASN  25           H        ASN  25   4.531  -0.180  -5.347
  201    HA   ASN  25           HA       ASN  25   3.187  -1.664  -7.431
  202    HB2  ASN  25           2HB      ASN  25   5.568  -2.090  -6.471
  203    HB3  ASN  25           1HB      ASN  25   4.739  -2.945  -5.174
  204   HD21  ASN  25          1HD2      ASN  25   4.331  -5.070  -5.485
  205   HD22  ASN  25          2HD2      ASN  25   4.361  -5.861  -7.019
  206    H    VAL  26           H        VAL  26   2.765  -1.495  -3.908
  207    HA   VAL  26           HA       VAL  26   0.754  -3.547  -3.731
  208    HB   VAL  26           HB       VAL  26   1.268  -1.162  -1.904
  209   HG11  VAL  26          1HG1      VAL  26   0.000  -2.397  -0.188
  210   HG12  VAL  26          2HG1      VAL  26  -0.420  -3.621  -1.387
  211   HG13  VAL  26          3HG1      VAL  26  -1.015  -1.971  -1.565
  212   HG21  VAL  26          3HG2      VAL  26   2.519  -2.610  -0.531
  213   HG22  VAL  26          1HG2      VAL  26   3.106  -2.852  -2.174
  214   HG23  VAL  26          2HG2      VAL  26   2.019  -4.034  -1.442
  215    H    LYS  27           H        LYS  27   0.522  -0.014  -4.330
  216    HA   LYS  27           HA       LYS  27  -2.308   0.111  -4.427
  217    HB2  LYS  27           2HB      LYS  27  -0.266   1.758  -5.961
  218    HB3  LYS  27           1HB      LYS  27  -1.978   2.128  -5.892
  219    HG2  LYS  27           2HG      LYS  27  -1.374   2.167  -3.230
  220    HG3  LYS  27           1HG      LYS  27   0.175   2.693  -3.939
  221    HD2  LYS  27           2HD      LYS  27  -1.425   4.260  -5.344
  222    HD3  LYS  27           1HD      LYS  27  -2.472   4.024  -3.948
  223    HE2  LYS  27           2HE      LYS  27  -1.229   5.379  -2.657
  224    HE3  LYS  27           1HE      LYS  27   0.297   4.676  -3.210
  225    HZ1  LYS  27           3HZ      LYS  27   0.103   6.040  -5.222
  226    HZ2  LYS  27           1HZ      LYS  27   0.140   6.994  -3.824
  227    HZ3  LYS  27           2HZ      LYS  27  -1.323   6.729  -4.629
  228    H    ALA  28           H        ALA  28   0.096  -0.669  -6.962
  229    HA   ALA  28           HA       ALA  28  -1.704  -0.747  -9.142
  230    HB1  ALA  28           1HB      ALA  28   0.646  -0.677  -9.598
  231    HB2  ALA  28           2HB      ALA  28  -0.002  -2.165 -10.286
  232    HB3  ALA  28           3HB      ALA  28   0.906  -2.215  -8.774
  233    H    LYS  29           H        LYS  29  -0.776  -3.252  -6.794
  234    HA   LYS  29           HA       LYS  29  -2.232  -5.456  -7.975
  235    HB2  LYS  29           2HB      LYS  29  -1.311  -4.958  -5.134
  236    HB3  LYS  29           1HB      LYS  29  -2.071  -6.449  -5.673
  237    HG2  LYS  29           2HG      LYS  29  -0.246  -6.998  -7.066
  238    HG3  LYS  29           1HG      LYS  29   0.443  -5.381  -6.925
  239    HD2  LYS  29           2HD      LYS  29   1.053  -5.748  -4.656
  240    HD3  LYS  29           1HD      LYS  29   0.109  -7.235  -4.575
  241    HE2  LYS  29           2HE      LYS  29   2.436  -6.902  -6.453
  242    HE3  LYS  29           1HE      LYS  29   2.631  -7.472  -4.797
  243    HZ1  LYS  29           3HZ      LYS  29   1.143  -9.307  -5.286
  244    HZ2  LYS  29           1HZ      LYS  29   2.449  -9.306  -6.362
  245    HZ3  LYS  29           2HZ      LYS  29   0.933  -8.754  -6.871
  246    H    ILE  30           H        ILE  30  -3.135  -2.934  -5.624
  247    HA   ILE  30           HA       ILE  30  -5.773  -4.002  -5.120
  248    HB   ILE  30           HB       ILE  30  -4.608  -1.239  -4.654
  249   HG12  ILE  30          2HG1      ILE  30  -5.408  -3.453  -2.751
  250   HG13  ILE  30          1HG1      ILE  30  -3.768  -3.163  -3.313
  251   HG21  ILE  30          1HG2      ILE  30  -6.655  -0.882  -3.181
  252   HG22  ILE  30          2HG2      ILE  30  -7.386  -2.256  -4.009
  253   HG23  ILE  30          3HG2      ILE  30  -6.950  -0.809  -4.918
  254   HD11  ILE  30          3HD1      ILE  30  -3.452  -1.446  -1.889
  255   HD12  ILE  30          1HD1      ILE  30  -4.738  -2.254  -0.991
  256   HD13  ILE  30          2HD1      ILE  30  -5.116  -0.876  -2.022
  257    H    GLN  31           H        GLN  31  -4.499  -1.647  -7.514
  258    HA   GLN  31           HA       GLN  31  -6.967  -0.867  -8.721
  259    HB2  GLN  31           2HB      GLN  31  -4.774   0.239  -9.188
  260    HB3  GLN  31           1HB      GLN  31  -4.220  -1.222  -9.991
  261    HG2  GLN  31           2HG      GLN  31  -6.208  -0.822 -11.593
  262    HG3  GLN  31           1HG      GLN  31  -6.250   0.797 -10.899
  263   HE21  GLN  31          1HE2      GLN  31  -5.517  -0.334 -13.653
  264   HE22  GLN  31          2HE2      GLN  31  -3.990   0.399 -13.991
  265    H    ASP  32           H        ASP  32  -4.792  -3.609  -9.374
  266    HA   ASP  32           HA       ASP  32  -6.210  -4.707 -11.590
  267    HB2  ASP  32           2HB      ASP  32  -3.850  -5.310 -10.834
  268    HB3  ASP  32           1HB      ASP  32  -4.601  -6.295  -9.584
  269    H    LYS  33           H        LYS  33  -6.545  -5.374  -8.099
  270    HA   LYS  33           HA       LYS  33  -8.558  -7.415  -8.508
  271    HB2  LYS  33           2HB      LYS  33  -7.826  -5.985  -5.949
  272    HB3  LYS  33           1HB      LYS  33  -8.680  -7.506  -6.069
  273    HG2  LYS  33           2HG      LYS  33  -6.205  -7.885  -7.407
  274    HG3  LYS  33           1HG      LYS  33  -5.844  -7.002  -5.927
  275    HD2  LYS  33           2HD      LYS  33  -6.954  -8.719  -4.608
  276    HD3  LYS  33           1HD      LYS  33  -7.412  -9.576  -6.080
  277    HE2  LYS  33           2HE      LYS  33  -5.029  -9.885  -6.612
  278    HE3  LYS  33           1HE      LYS  33  -4.600  -9.082  -5.102
  279    HZ1  LYS  33           3HZ      LYS  33  -6.249 -11.546  -5.254
  280    HZ2  LYS  33           1HZ      LYS  33  -5.603 -10.833  -3.860
  281    HZ3  LYS  33           2HZ      LYS  33  -4.577 -11.549  -4.999
  282    H    GLU  34           H        GLU  34  -8.718  -4.022  -7.395
  283    HA   GLU  34           HA       GLU  34 -11.669  -4.242  -7.378
  284    HB2  GLU  34           2HB      GLU  34  -9.792  -2.540  -5.770
  285    HB3  GLU  34           1HB      GLU  34 -11.542  -2.333  -5.758
  286    HG2  GLU  34           2HG      GLU  34 -10.275  -4.980  -5.224
  287    HG3  GLU  34           1HG      GLU  34 -10.431  -3.777  -3.915
  288    H    GLY  35           H        GLY  35  -9.306  -2.722  -9.306
  289    HA2  GLY  35           2HA      GLY  35  -9.612  -1.318 -11.072
  290    HA3  GLY  35           1HA      GLY  35 -11.310  -1.231 -10.670
  291    H    ILE  36           H        ILE  36  -9.277  -0.267  -8.072
  292    HA   ILE  36           HA       ILE  36 -10.092   2.515  -8.357
  293    HB   ILE  36           HB       ILE  36  -8.342   1.313  -6.185
  294   HG12  ILE  36          2HG1      ILE  36 -11.295   1.751  -5.749
  295   HG13  ILE  36          1HG1      ILE  36 -10.759   0.271  -6.527
  296   HG21  ILE  36          1HG2      ILE  36  -8.409   3.811  -6.405
  297   HG22  ILE  36          2HG2      ILE  36  -8.968   3.206  -4.846
  298   HG23  ILE  36          3HG2      ILE  36 -10.136   3.743  -6.052
  299   HD11  ILE  36          3HD1      ILE  36  -9.195   0.002  -4.525
  300   HD12  ILE  36          1HD1      ILE  36 -10.917  -0.297  -4.293
  301   HD13  ILE  36          2HD1      ILE  36 -10.205   1.224  -3.754
  302    HA   PRO  37           HA       PRO  37  -6.093   3.341 -10.421
  303    HB2  PRO  37           2HB      PRO  37  -6.742   6.232 -10.123
  304    HB3  PRO  37           1HB      PRO  37  -6.448   5.298 -11.595
  305    HG2  PRO  37           2HG      PRO  37  -8.899   6.159 -10.947
  306    HG3  PRO  37           1HG      PRO  37  -8.643   4.594 -11.743
  307    HD2  PRO  37           2HD      PRO  37  -9.158   5.177  -8.839
  308    HD3  PRO  37           1HD      PRO  37  -9.864   3.922  -9.880
  309    HA   PRO  38           HA       PRO  38  -3.491   3.986  -6.870
  310    HB2  PRO  38           2HB      PRO  38  -1.427   5.152  -8.728
  311    HB3  PRO  38           1HB      PRO  38  -1.273   3.799  -7.603
  312    HG2  PRO  38           2HG      PRO  38  -1.450   3.370 -10.210
  313    HG3  PRO  38           1HG      PRO  38  -2.277   2.305  -9.060
  314    HD2  PRO  38           2HD      PRO  38  -3.406   4.507 -10.754
  315    HD3  PRO  38           1HD      PRO  38  -4.070   2.898 -10.408
  316    H    ASP  39           H        ASP  39  -3.794   6.765  -9.083
  317    HA   ASP  39           HA       ASP  39  -2.761   8.629  -7.225
  318    HB2  ASP  39           2HB      ASP  39  -4.423   9.003  -9.716
  319    HB3  ASP  39           1HB      ASP  39  -3.929  10.362  -8.670
  320    H    GLN  40           H        GLN  40  -5.865   7.072  -7.254
  321    HA   GLN  40           HA       GLN  40  -7.092   9.171  -5.611
  322    HB2  GLN  40           2HB      GLN  40  -8.264   6.730  -6.952
  323    HB3  GLN  40           1HB      GLN  40  -9.172   7.812  -5.908
  324    HG2  GLN  40           2HG      GLN  40  -8.436   9.664  -7.508
  325    HG3  GLN  40           1HG      GLN  40  -7.977   8.355  -8.596
  326   HE21  GLN  40          1HE2      GLN  40  -9.488   8.375 -10.184
  327   HE22  GLN  40          2HE2      GLN  40 -11.192   8.333  -9.910
  328    H    GLN  41           H        GLN  41  -5.217   6.439  -5.072
  329    HA   GLN  41           HA       GLN  41  -6.694   5.468  -2.709
  330    HB2  GLN  41           2HB      GLN  41  -4.483   4.357  -4.403
  331    HB3  GLN  41           1HB      GLN  41  -4.867   3.659  -2.836
  332    HG2  GLN  41           2HG      GLN  41  -7.223   3.385  -3.662
  333    HG3  GLN  41           1HG      GLN  41  -6.629   3.833  -5.261
  334   HE21  GLN  41          1HE2      GLN  41  -6.132   2.143  -6.542
  335   HE22  GLN  41          2HE2      GLN  41  -5.613   0.594  -5.985
  336    H    ARG  42           H        ARG  42  -6.003   5.712  -0.632
  337    HA   ARG  42           HA       ARG  42  -3.273   6.671  -0.158
  338    HB2  ARG  42           2HB      ARG  42  -5.750   7.426   1.429
  339    HB3  ARG  42           1HB      ARG  42  -4.107   7.897   1.839
  340    HG2  ARG  42           2HG      ARG  42  -3.980   9.145  -0.294
  341    HG3  ARG  42           1HG      ARG  42  -5.674   8.745  -0.584
  342    HD2  ARG  42           2HD      ARG  42  -6.390   9.995   1.297
  343    HD3  ARG  42           1HD      ARG  42  -4.744  10.153   1.906
  344    HE   ARG  42           HE       ARG  42  -5.216  11.363  -0.687
  345   HH11  ARG  42          1HH1      ARG  42  -5.167  11.997   2.811
  346   HH12  ARG  42          2HH1      ARG  42  -4.958  13.698   2.590
  347   HH21  ARG  42          1HH2      ARG  42  -4.942  13.591  -0.895
  348   HH22  ARG  42          2HH2      ARG  42  -4.830  14.595   0.512
  349    H    LEU  43           H        LEU  43  -2.113   5.314   1.174
  350    HA   LEU  43           HA       LEU  43  -3.602   3.172   2.571
  351    HB2  LEU  43           2HB      LEU  43  -0.760   3.227   1.528
  352    HB3  LEU  43           1HB      LEU  43  -1.507   1.916   2.433
  353    HG   LEU  43           HG       LEU  43  -2.512   2.859  -0.258
  354   HD11  LEU  43          1HD1      LEU  43  -0.612   0.624   0.425
  355   HD12  LEU  43          2HD1      LEU  43  -0.299   2.021  -0.606
  356   HD13  LEU  43          3HD1      LEU  43  -1.440   0.781  -1.123
  357   HD21  LEU  43          3HD2      LEU  43  -4.204   1.714   1.019
  358   HD22  LEU  43          1HD2      LEU  43  -3.084   0.410   1.411
  359   HD23  LEU  43          2HD2      LEU  43  -3.623   0.637  -0.252
  360    H    ILE  44           H        ILE  44  -3.497   2.996   4.716
  361    HA   ILE  44           HA       ILE  44  -1.530   4.620   6.232
  362    HB   ILE  44           HB       ILE  44  -4.389   4.099   7.054
  363   HG12  ILE  44          2HG1      ILE  44  -3.282   6.171   5.225
  364   HG13  ILE  44          1HG1      ILE  44  -4.918   5.569   5.377
  365   HG21  ILE  44          1HG2      ILE  44  -3.966   5.819   8.752
  366   HG22  ILE  44          2HG2      ILE  44  -2.309   5.993   8.174
  367   HG23  ILE  44          3HG2      ILE  44  -2.833   4.475   8.903
  368   HD11  ILE  44          3HD1      ILE  44  -4.947   7.079   7.516
  369   HD12  ILE  44          1HD1      ILE  44  -5.170   7.776   5.909
  370   HD13  ILE  44          2HD1      ILE  44  -3.597   7.874   6.704
  371    H    PHE  45           H        PHE  45  -0.463   3.622   7.843
  372    HA   PHE  45           HA       PHE  45  -1.422   1.038   8.872
  373    HB2  PHE  45           2HB      PHE  45   0.299   0.566   7.148
  374    HB3  PHE  45           1HB      PHE  45   1.441   1.593   8.003
  375    HD1  PHE  45           1HD      PHE  45  -0.772  -1.352   8.632
  376    HD2  PHE  45           2HD      PHE  45   2.964   0.535   9.420
  377    HE1  PHE  45           1HE      PHE  45  -0.071  -3.295   9.967
  378    HE2  PHE  45           2HE      PHE  45   3.669  -1.410  10.749
  379    HZ   PHE  45           HZ       PHE  45   2.149  -3.325  11.027
  380    H    ALA  46           H        ALA  46  -1.466   1.105  11.121
  381    HA   ALA  46           HA       ALA  46  -1.279   1.966  13.235
  382    HB1  ALA  46           1HB      ALA  46   1.148   2.326  13.929
  383    HB2  ALA  46           2HB      ALA  46   1.563   1.897  12.270
  384    HB3  ALA  46           3HB      ALA  46   0.713   0.739  13.294
  385    H    GLY  47           H        GLY  47  -2.317   3.904  11.626
  386    HA2  GLY  47           2HA      GLY  47  -2.869   6.117  11.742
  387    HA3  GLY  47           1HA      GLY  47  -1.714   6.290  13.042
  388    H    LYS  48           H        LYS  48   0.001   5.105  10.372
  389    HA   LYS  48           HA       LYS  48   0.824   7.842   9.597
  390    HB2  LYS  48           2HB      LYS  48   2.484   5.358   9.218
  391    HB3  LYS  48           1HB      LYS  48   3.022   7.020   9.142
  392    HG2  LYS  48           2HG      LYS  48   2.741   7.271  11.535
  393    HG3  LYS  48           1HG      LYS  48   2.085   5.637  11.651
  394    HD2  LYS  48           2HD      LYS  48   4.269   4.814  10.699
  395    HD3  LYS  48           1HD      LYS  48   4.888   6.453  10.907
  396    HE2  LYS  48           2HE      LYS  48   4.384   6.319  13.310
  397    HE3  LYS  48           1HE      LYS  48   3.812   4.666  13.087
  398    HZ1  LYS  48           3HZ      LYS  48   6.039   4.577  13.872
  399    HZ2  LYS  48           1HZ      LYS  48   6.576   5.676  12.701
  400    HZ3  LYS  48           2HZ      LYS  48   6.074   4.127  12.243
  401    H    GLN  49           H        GLN  49   0.860   8.505   7.479
  402    HA   GLN  49           HA       GLN  49  -0.465   6.827   5.511
  403    HB2  GLN  49           2HB      GLN  49  -0.565   9.448   5.828
  404    HB3  GLN  49           1HB      GLN  49   0.864   9.444   4.809
  405    HG2  GLN  49           2HG      GLN  49  -0.320   8.466   3.003
  406    HG3  GLN  49           1HG      GLN  49  -1.714   8.112   4.022
  407   HE21  GLN  49          1HE2      GLN  49   0.020  10.616   2.268
  408   HE22  GLN  49          2HE2      GLN  49  -1.234  11.799   2.366
  409    H    LEU  50           H        LEU  50   0.598   5.522   4.018
  410    HA   LEU  50           HA       LEU  50   3.496   5.347   4.146
  411    HB2  LEU  50           2HB      LEU  50   1.669   3.699   2.401
  412    HB3  LEU  50           1HB      LEU  50   3.308   3.339   2.882
  413    HG   LEU  50           HG       LEU  50   0.941   3.434   4.754
  414   HD11  LEU  50          1HD1      LEU  50   0.724   1.594   3.196
  415   HD12  LEU  50          2HD1      LEU  50   1.127   0.988   4.802
  416   HD13  LEU  50          3HD1      LEU  50   2.370   1.067   3.552
  417   HD21  LEU  50          3HD2      LEU  50   2.511   2.232   6.302
  418   HD22  LEU  50          1HD2      LEU  50   2.935   3.912   5.981
  419   HD23  LEU  50          2HD2      LEU  50   3.812   2.612   5.175
  420    H    GLU  51           H        GLU  51   4.965   5.961   2.579
  421    HA   GLU  51           HA       GLU  51   3.953   7.554   0.337
  422    HB2  GLU  51           2HB      GLU  51   6.730   7.161   1.467
  423    HB3  GLU  51           1HB      GLU  51   6.406   8.112   0.022
  424    HG2  GLU  51           2HG      GLU  51   5.301   9.768   1.173
  425    HG3  GLU  51           1HG      GLU  51   4.990   8.752   2.579
  426    H    ASP  52           H        ASP  52   4.317   7.213  -1.833
  427    HA   ASP  52           HA       ASP  52   4.356   4.552  -2.719
  428    HB2  ASP  52           2HB      ASP  52   4.657   7.131  -4.251
  429    HB3  ASP  52           1HB      ASP  52   4.534   5.551  -5.021
  430    H    GLY  53           H        GLY  53   7.072   6.788  -2.395
  431    HA2  GLY  53           2HA      GLY  53   8.840   5.128  -3.993
  432    HA3  GLY  53           1HA      GLY  53   9.283   6.564  -3.096
  433    H    ARG  54           H        ARG  54   7.694   4.620  -0.866
  434    HA   ARG  54           HA       ARG  54  10.255   3.469   0.087
  435    HB2  ARG  54           2HB      ARG  54   7.698   4.066   1.598
  436    HB3  ARG  54           1HB      ARG  54   9.126   3.331   2.299
  437    HG2  ARG  54           2HG      ARG  54   8.833   6.159   1.287
  438    HG3  ARG  54           1HG      ARG  54   9.043   5.616   2.938
  439    HD2  ARG  54           2HD      ARG  54  11.293   4.822   2.429
  440    HD3  ARG  54           1HD      ARG  54  11.102   5.328   0.750
  441    HE   ARG  54           HE       ARG  54  11.536   7.478   1.376
  442   HH11  ARG  54          1HH1      ARG  54  10.820   5.695   4.364
  443   HH12  ARG  54          2HH1      ARG  54  11.267   7.025   5.375
  444   HH21  ARG  54          1HH2      ARG  54  12.103   9.172   2.757
  445   HH22  ARG  54          2HH2      ARG  54  11.988   8.977   4.474
  446    H    THR  55           H        THR  55  10.072   1.375   1.307
  447    HA   THR  55           HA       THR  55   8.288  -0.517  -0.124
  448    HB   THR  55           HB       THR  55   9.837  -2.276   0.455
  449    HG1  THR  55           1HG      THR  55  11.346  -0.269   1.796
  450   HG21  THR  55          3HG2      THR  55  11.228   0.096  -0.747
  451   HG22  THR  55          1HG2      THR  55  10.444  -1.246  -1.581
  452   HG23  THR  55          2HG2      THR  55  11.931  -1.521  -0.673
  453    H    LEU  56           H        LEU  56   7.602  -2.448   1.092
  454    HA   LEU  56           HA       LEU  56   6.113  -1.846   3.415
  455    HB2  LEU  56           2HB      LEU  56   7.007  -4.544   2.404
  456    HB3  LEU  56           1HB      LEU  56   5.775  -4.280   3.628
  457    HG   LEU  56           HG       LEU  56   5.582  -3.373   0.752
  458   HD11  LEU  56          1HD1      LEU  56   4.055  -5.192   0.420
  459   HD12  LEU  56          2HD1      LEU  56   4.178  -5.662   2.115
  460   HD13  LEU  56          3HD1      LEU  56   5.572  -5.833   1.051
  461   HD21  LEU  56          3HD2      LEU  56   3.131  -3.129   1.407
  462   HD22  LEU  56          1HD2      LEU  56   4.238  -1.928   2.073
  463   HD23  LEU  56          2HD2      LEU  56   3.667  -3.257   3.080
  464    H    SER  57           H        SER  57   9.362  -3.275   3.191
  465    HA   SER  57           HA       SER  57   9.552  -4.032   5.938
  466    HB2  SER  57           2HB      SER  57  11.947  -4.288   5.584
  467    HB3  SER  57           1HB      SER  57  11.027  -5.043   4.253
  468    HG   SER  57           HG       SER  57  11.650  -3.450   2.918
  469    H    ASP  58           H        ASP  58  10.212  -0.992   4.237
  470    HA   ASP  58           HA       ASP  58  11.749   0.286   6.242
  471    HB2  ASP  58           2HB      ASP  58   9.912   1.447   4.135
  472    HB3  ASP  58           1HB      ASP  58  10.882   2.447   5.198
  473    H    TYR  59           H        TYR  59   8.273  -0.251   6.050
  474    HA   TYR  59           HA       TYR  59   7.793   1.450   8.404
  475    HB2  TYR  59           2HB      TYR  59   5.925   0.115   6.425
  476    HB3  TYR  59           1HB      TYR  59   5.349   0.889   7.897
  477    HD1  TYR  59           1HD      TYR  59   5.481   3.322   8.159
  478    HD2  TYR  59           2HD      TYR  59   6.735   1.428   4.560
  479    HE1  TYR  59           1HE      TYR  59   5.440   5.495   7.007
  480    HE2  TYR  59           2HE      TYR  59   6.693   3.595   3.399
  481    HH   TYR  59           HH       TYR  59   6.940   6.143   4.254
  482    H    ASN  60           H        ASN  60   8.932  -1.571   8.153
  483    HA   ASN  60           HA       ASN  60   8.917  -3.472   9.336
  484    HB2  ASN  60           2HB      ASN  60   7.821  -1.614  11.459
  485    HB3  ASN  60           1HB      ASN  60   8.362  -3.259  11.784
  486   HD21  ASN  60          1HD2      ASN  60   9.337   0.018  11.172
  487   HD22  ASN  60          2HD2      ASN  60  11.033  -0.244  11.370
  488    H    ILE  61           H        ILE  61   6.732  -3.280   7.586
  489    HA   ILE  61           HA       ILE  61   4.378  -4.263   8.996
  490    HB   ILE  61           HB       ILE  61   4.888  -3.997   6.008
  491   HG12  ILE  61          2HG1      ILE  61   3.120  -2.300   7.780
  492   HG13  ILE  61          1HG1      ILE  61   4.776  -1.864   7.394
  493   HG21  ILE  61          1HG2      ILE  61   2.307  -4.602   7.473
  494   HG22  ILE  61          2HG2      ILE  61   3.208  -5.721   6.450
  495   HG23  ILE  61          3HG2      ILE  61   2.451  -4.295   5.741
  496   HD11  ILE  61          3HD1      ILE  61   4.105  -1.932   4.966
  497   HD12  ILE  61          1HD1      ILE  61   3.404  -0.633   5.932
  498   HD13  ILE  61          2HD1      ILE  61   2.437  -2.050   5.525
  499    H    GLN  62           H        GLN  62   4.062  -6.339   9.502
  500    HA   GLN  62           HA       GLN  62   5.803  -8.442   8.345
  501    HB2  GLN  62           2HB      GLN  62   4.494  -8.119  11.051
  502    HB3  GLN  62           1HB      GLN  62   5.314  -9.588  10.539
  503    HG2  GLN  62           2HG      GLN  62   7.397  -8.345  10.287
  504    HG3  GLN  62           1HG      GLN  62   6.578  -6.867  10.788
  505   HE21  GLN  62          1HE2      GLN  62   6.160  -6.516  12.981
  506   HE22  GLN  62          2HE2      GLN  62   6.764  -7.565  14.213
  507    H    LYS  63           H        LYS  63   4.805 -10.718   8.571
  508    HA   LYS  63           HA       LYS  63   2.625 -10.984   6.910
  509    HB2  LYS  63           2HB      LYS  63   2.381 -13.322   7.692
  510    HB3  LYS  63           1HB      LYS  63   4.038 -12.896   7.280
  511    HG2  LYS  63           2HG      LYS  63   4.574 -12.636   9.641
  512    HG3  LYS  63           1HG      LYS  63   2.914 -13.056  10.069
  513    HD2  LYS  63           2HD      LYS  63   3.219 -15.250   8.985
  514    HD3  LYS  63           1HD      LYS  63   4.896 -14.825   8.634
  515    HE2  LYS  63           2HE      LYS  63   5.421 -14.714  10.967
  516    HE3  LYS  63           1HE      LYS  63   3.724 -14.898  11.408
  517    HZ1  LYS  63           3HZ      LYS  63   4.808 -16.980  11.702
  518    HZ2  LYS  63           1HZ      LYS  63   5.477 -16.934  10.148
  519    HZ3  LYS  63           2HZ      LYS  63   3.807 -17.125  10.345
  520    H    GLU  64           H        GLU  64   0.414 -11.260   7.069
  521    HA   GLU  64           HA       GLU  64  -1.696 -11.066   7.847
  522    HB2  GLU  64           2HB      GLU  64  -0.578 -11.936  10.512
  523    HB3  GLU  64           1HB      GLU  64  -2.286 -11.804  10.115
  524    HG2  GLU  64           2HG      GLU  64  -1.735 -13.453   8.206
  525    HG3  GLU  64           1HG      GLU  64  -0.267 -13.786   9.131
  526    H    SER  65           H        SER  65   0.260  -8.673   8.204
  527    HA   SER  65           HA       SER  65  -1.008  -7.099  10.296
  528    HB2  SER  65           2HB      SER  65   0.913  -6.441   8.054
  529    HB3  SER  65           1HB      SER  65   0.241  -5.203   9.112
  530    HG   SER  65           HG       SER  65   1.940  -7.364   9.774
  531    H    THR  66           H        THR  66  -2.396  -5.277   9.937
  532    HA   THR  66           HA       THR  66  -4.071  -5.470   7.503
  533    HB   THR  66           HB       THR  66  -4.809  -4.352  10.212
  534    HG1  THR  66           1HG      THR  66  -5.521  -6.296  10.758
  535   HG21  THR  66          3HG2      THR  66  -6.513  -5.232   7.885
  536   HG22  THR  66          1HG2      THR  66  -6.301  -3.582   8.471
  537   HG23  THR  66          2HG2      THR  66  -7.117  -4.777   9.478
  538    H    LEU  67           H        LEU  67  -4.003  -3.774   6.127
  539    HA   LEU  67           HA       LEU  67  -3.047  -1.134   7.026
  540    HB2  LEU  67           2HB      LEU  67  -3.274  -2.094   4.162
  541    HB3  LEU  67           1HB      LEU  67  -2.495  -0.639   4.750
  542    HG   LEU  67           HG       LEU  67  -0.934  -2.418   6.012
  543   HD11  LEU  67          1HD1      LEU  67  -0.499  -4.351   4.567
  544   HD12  LEU  67          2HD1      LEU  67  -1.969  -3.967   3.671
  545   HD13  LEU  67          3HD1      LEU  67  -2.064  -4.401   5.378
  546   HD21  LEU  67          3HD2      LEU  67   0.602  -2.352   4.071
  547   HD22  LEU  67          1HD2      LEU  67  -0.050  -0.774   4.516
  548   HD23  LEU  67          2HD2      LEU  67  -0.698  -1.635   3.118
  549    H    HIS  68           H        HIS  68  -4.256   0.725   6.223
  550    HA   HIS  68           HA       HIS  68  -7.094   0.130   5.641
  551    HB2  HIS  68           2HB      HIS  68  -5.794   2.453   7.088
  552    HB3  HIS  68           1HB      HIS  68  -7.499   2.401   6.672
  553    HD1  HIS  68           1HD      HIS  68  -4.952   0.731   8.881
  554    HD2  HIS  68           2HD      HIS  68  -9.076   0.932   8.419
  555    HE1  HIS  68           1HE      HIS  68  -5.906  -0.415  10.901
  556    H    LEU  69           H        LEU  69  -8.019   0.957   3.819
  557    HA   LEU  69           HA       LEU  69  -6.353   2.700   2.095
  558    HB2  LEU  69           2HB      LEU  69  -7.025   0.458   1.211
  559    HB3  LEU  69           1HB      LEU  69  -8.702   0.928   1.385
  560    HG   LEU  69           HG       LEU  69  -8.267   2.753  -0.275
  561   HD11  LEU  69          1HD1      LEU  69  -5.852   2.933   0.001
  562   HD12  LEU  69          2HD1      LEU  69  -6.280   2.602  -1.677
  563   HD13  LEU  69          3HD1      LEU  69  -5.655   1.308  -0.657
  564   HD21  LEU  69          3HD2      LEU  69  -8.368   1.304  -2.202
  565   HD22  LEU  69          1HD2      LEU  69  -9.294   0.594  -0.880
  566   HD23  LEU  69          2HD2      LEU  69  -7.690  -0.029  -1.266
  567    H    VAL  70           H        VAL  70  -7.046   4.763   1.696
  568    HA   VAL  70           HA       VAL  70  -9.815   5.512   2.262
  569    HB   VAL  70           HB       VAL  70  -7.190   6.822   2.875
  570   HG11  VAL  70          1HG1      VAL  70  -8.306   8.973   3.463
  571   HG12  VAL  70          2HG1      VAL  70  -9.786   8.375   2.714
  572   HG13  VAL  70          3HG1      VAL  70  -8.347   8.645   1.730
  573   HG21  VAL  70          3HG2      VAL  70  -8.312   5.455   4.537
  574   HG22  VAL  70          1HG2      VAL  70  -9.635   6.623   4.568
  575   HG23  VAL  70          2HG2      VAL  70  -8.011   7.111   5.060
  576    H    LEU  71           H        LEU  71 -10.832   6.671   0.610
  577    HA   LEU  71           HA       LEU  71  -9.355   6.889  -1.926
  578    HB2  LEU  71           2HB      LEU  71 -12.335   6.912  -1.433
  579    HB3  LEU  71           1HB      LEU  71 -11.555   6.926  -3.003
  580    HG   LEU  71           HG       LEU  71 -11.236   4.655  -1.042
  581   HD11  LEU  71          1HD1      LEU  71 -12.866   3.447  -2.457
  582   HD12  LEU  71          2HD1      LEU  71 -13.211   4.959  -3.297
  583   HD13  LEU  71          3HD1      LEU  71 -13.577   4.801  -1.579
  584   HD21  LEU  71          3HD2      LEU  71 -10.398   3.428  -2.917
  585   HD22  LEU  71          1HD2      LEU  71  -9.516   4.953  -2.829
  586   HD23  LEU  71          2HD2      LEU  71 -10.798   4.742  -4.022
  587    H    ARG  72           H        ARG  72  -8.942   8.785  -2.901
  588    HA   ARG  72           HA       ARG  72  -9.813  11.262  -1.585
  589    HB2  ARG  72           2HB      ARG  72  -7.384  10.757  -2.190
  590    HB3  ARG  72           1HB      ARG  72  -7.851  11.002  -3.867
  591    HG2  ARG  72           2HG      ARG  72  -8.662  13.285  -3.198
  592    HG3  ARG  72           1HG      ARG  72  -7.909  13.008  -1.626
  593    HD2  ARG  72           2HD      ARG  72  -5.748  12.744  -2.664
  594    HD3  ARG  72           1HD      ARG  72  -6.463  12.870  -4.268
  595    HE   ARG  72           HE       ARG  72  -7.167  15.219  -3.168
  596   HH11  ARG  72          1HH1      ARG  72  -3.974  13.664  -3.334
  597   HH12  ARG  72          2HH1      ARG  72  -3.137  15.176  -3.308
  598   HH21  ARG  72          1HH2      ARG  72  -6.008  17.153  -3.144
  599   HH22  ARG  72          2HH2      ARG  72  -4.277  17.137  -3.205
  600    H    LEU  73           H        LEU  73 -11.685  12.138  -2.309
  601    HA   LEU  73           HA       LEU  73 -12.281  12.065  -5.216
  602    HB2  LEU  73           2HB      LEU  73 -14.200  12.065  -2.882
  603    HB3  LEU  73           1HB      LEU  73 -14.665  12.157  -4.570
  604    HG   LEU  73           HG       LEU  73 -13.148   9.816  -3.420
  605   HD11  LEU  73          1HD1      LEU  73 -16.118  10.004  -3.893
  606   HD12  LEU  73          2HD1      LEU  73 -15.348  10.093  -2.308
  607   HD13  LEU  73          3HD1      LEU  73 -15.223   8.619  -3.268
  608   HD21  LEU  73          3HD2      LEU  73 -13.999   8.678  -5.434
  609   HD22  LEU  73          1HD2      LEU  73 -12.945  10.039  -5.817
  610   HD23  LEU  73          2HD2      LEU  73 -14.694  10.205  -5.979
  611    H    ARG  74           H        ARG  74 -12.810  13.969  -6.223
  612    HA   ARG  74           HA       ARG  74 -12.347  16.443  -4.750
  613    HB2  ARG  74           2HB      ARG  74 -12.921  15.953  -7.682
  614    HB3  ARG  74           1HB      ARG  74 -12.518  17.516  -6.982
  615    HG2  ARG  74           2HG      ARG  74 -10.342  16.578  -6.262
  616    HG3  ARG  74           1HG      ARG  74 -10.753  15.080  -7.100
  617    HD2  ARG  74           2HD      ARG  74  -9.397  16.309  -8.590
  618    HD3  ARG  74           1HD      ARG  74 -11.046  16.472  -9.188
  619    HE   ARG  74           HE       ARG  74 -10.791  18.680  -7.681
  620   HH11  ARG  74          1HH1      ARG  74  -8.639  17.416 -10.210
  621   HH12  ARG  74          2HH1      ARG  74  -8.051  18.989 -10.621
  622   HH21  ARG  74          1HH2      ARG  74  -9.981  20.698  -8.271
  623   HH22  ARG  74          2HH2      ARG  74  -8.808  20.834  -9.538
  624    H    GLY  75           H        GLY  75 -13.841  18.173  -4.550
  625    HA2  GLY  75           2HA      GLY  75 -16.592  17.361  -4.281
  626    HA3  GLY  75           1HA      GLY  75 -15.925  18.947  -3.923
  627    H    GLY  76           H        GLY  76 -17.658  20.057  -4.929
  628    HA2  GLY  76           2HA      GLY  76 -18.471  21.280  -6.709
  629    HA3  GLY  76           1HA      GLY  76 -17.330  20.458  -7.760
  Start of MODEL    9
    1    H1   MET   1           1HT      MET   1   4.482 -13.642   1.076
    2    H2   MET   1           2HT      MET   1   5.847 -13.409   2.088
    3    H3   MET   1           3HT      MET   1   5.051 -12.061   1.388
    4    HA   MET   1           HA       MET   1   3.907 -13.941   3.316
    5    HB2  MET   1           2HB      MET   1   4.027 -11.997   4.884
    6    HB3  MET   1           1HB      MET   1   5.600 -12.580   4.383
    7    HG2  MET   1           2HG      MET   1   5.778 -10.718   2.800
    8    HG3  MET   1           1HG      MET   1   4.197 -10.141   3.323
    9    HE1  MET   1           2HE      MET   1   5.879  -7.359   5.108
   10    HE2  MET   1           3HE      MET   1   4.240  -8.008   5.053
   11    HE3  MET   1           1HE      MET   1   5.204  -7.919   3.578
   12    H    GLN   2           H        GLN   2   1.777 -13.389   4.045
   13    HA   GLN   2           HA       GLN   2   0.147 -11.948   2.055
   14    HB2  GLN   2           2HB      GLN   2  -0.610 -13.779   4.341
   15    HB3  GLN   2           1HB      GLN   2  -1.761 -13.002   3.262
   16    HG2  GLN   2           2HG      GLN   2  -0.847 -14.205   1.372
   17    HG3  GLN   2           1HG      GLN   2   0.382 -14.933   2.405
   18   HE21  GLN   2          1HE2      GLN   2  -3.157 -14.692   1.969
   19   HE22  GLN   2          2HE2      GLN   2  -3.491 -16.269   2.590
   20    H    ILE   3           H        ILE   3  -1.151 -10.211   2.532
   21    HA   ILE   3           HA       ILE   3  -1.124  -9.103   5.251
   22    HB   ILE   3           HB       ILE   3  -0.802  -6.834   4.410
   23   HG12  ILE   3          2HG1      ILE   3   0.126  -7.975   1.762
   24   HG13  ILE   3          1HG1      ILE   3  -1.532  -7.425   1.986
   25   HG21  ILE   3          1HG2      ILE   3   1.079  -8.041   5.299
   26   HG22  ILE   3          2HG2      ILE   3   1.614  -7.024   3.963
   27   HG23  ILE   3          3HG2      ILE   3   1.413  -8.760   3.723
   28   HD11  ILE   3          3HD1      ILE   3  -0.828  -5.206   2.400
   29   HD12  ILE   3          1HD1      ILE   3   0.017  -5.764   0.956
   30   HD13  ILE   3          2HD1      ILE   3   0.863  -5.694   2.503
   31    H    PHE   4           H        PHE   4  -2.990  -7.396   5.513
   32    HA   PHE   4           HA       PHE   4  -5.253  -8.037   3.726
   33    HB2  PHE   4           2HB      PHE   4  -5.268  -7.595   6.722
   34    HB3  PHE   4           1HB      PHE   4  -6.694  -7.815   5.728
   35    HD1  PHE   4           1HD      PHE   4  -7.223  -9.999   4.757
   36    HD2  PHE   4           2HD      PHE   4  -3.861  -9.470   7.318
   37    HE1  PHE   4           1HE      PHE   4  -7.068 -12.436   5.055
   38    HE2  PHE   4           2HE      PHE   4  -3.704 -11.907   7.617
   39    HZ   PHE   4           HZ       PHE   4  -5.308 -13.392   6.484
   40    H    VAL   5           H        VAL   5  -6.511  -6.321   3.027
   41    HA   VAL   5           HA       VAL   5  -5.839  -3.617   4.066
   42    HB   VAL   5           HB       VAL   5  -6.697  -4.238   1.217
   43   HG11  VAL   5          1HG1      VAL   5  -7.353  -1.977   2.076
   44   HG12  VAL   5          2HG1      VAL   5  -6.213  -1.909   0.735
   45   HG13  VAL   5          3HG1      VAL   5  -5.648  -1.645   2.384
   46   HG21  VAL   5          3HG2      VAL   5  -3.969  -3.560   2.333
   47   HG22  VAL   5          1HG2      VAL   5  -4.376  -3.549   0.614
   48   HG23  VAL   5          2HG2      VAL   5  -4.449  -5.056   1.527
   49    H    LYS   6           H        LYS   6  -7.550  -2.592   5.001
   50    HA   LYS   6           HA       LYS   6 -10.269  -3.637   4.555
   51    HB2  LYS   6           2HB      LYS   6  -8.885  -2.376   6.888
   52    HB3  LYS   6           1HB      LYS   6 -10.599  -2.016   6.696
   53    HG2  LYS   6           2HG      LYS   6 -10.827  -4.612   6.494
   54    HG3  LYS   6           1HG      LYS   6  -9.250  -4.635   7.274
   55    HD2  LYS   6           2HD      LYS   6 -11.753  -3.340   8.366
   56    HD3  LYS   6           1HD      LYS   6 -11.079  -4.883   8.880
   57    HE2  LYS   6           2HE      LYS   6  -8.944  -3.469   9.392
   58    HE3  LYS   6           1HE      LYS   6 -10.072  -2.112   9.376
   59    HZ1  LYS   6           3HZ      LYS   6  -9.687  -3.120  11.600
   60    HZ2  LYS   6           1HZ      LYS   6 -10.442  -4.531  11.052
   61    HZ3  LYS   6           2HZ      LYS   6 -11.312  -3.083  11.134
   62    H    THR   7           H        THR   7 -11.854  -2.370   3.683
   63    HA   THR   7           HA       THR   7 -11.084   0.328   2.795
   64    HB   THR   7           HB       THR   7 -12.765   0.163   1.100
   65    HG1  THR   7           1HG      THR   7 -14.337  -1.327   1.075
   66   HG21  THR   7          3HG2      THR   7 -11.545  -2.577   1.226
   67   HG22  THR   7          1HG2      THR   7 -10.724  -1.136   0.628
   68   HG23  THR   7          2HG2      THR   7 -12.161  -1.737  -0.198
   69    H    LEU   8           H        LEU   8 -12.763   2.057   2.780
   70    HA   LEU   8           HA       LEU   8 -13.800   2.513   5.351
   71    HB2  LEU   8           2HB      LEU   8 -14.715   3.811   2.790
   72    HB3  LEU   8           1HB      LEU   8 -15.022   4.423   4.404
   73    HG   LEU   8           HG       LEU   8 -12.261   4.034   3.300
   74   HD11  LEU   8          1HD1      LEU   8 -12.237   6.489   2.970
   75   HD12  LEU   8          2HD1      LEU   8 -13.970   6.510   3.293
   76   HD13  LEU   8          3HD1      LEU   8 -13.347   5.645   1.889
   77   HD21  LEU   8          3HD2      LEU   8 -11.661   5.626   5.105
   78   HD22  LEU   8          1HD2      LEU   8 -12.315   4.101   5.704
   79   HD23  LEU   8          2HD2      LEU   8 -13.327   5.546   5.676
   80    H    THR   9           H        THR   9 -15.223   0.523   3.002
   81    HA   THR   9           HA       THR   9 -17.955   0.779   4.063
   82    HB   THR   9           HB       THR   9 -18.720  -0.597   2.216
   83    HG1  THR   9           1HG      THR   9 -17.228  -2.047   1.760
   84   HG21  THR   9          3HG2      THR   9 -17.748   0.667   0.209
   85   HG22  THR   9          1HG2      THR   9 -16.870   1.617   1.410
   86   HG23  THR   9          2HG2      THR   9 -18.633   1.588   1.424
   87    H    GLY  10           H        GLY  10 -15.194  -1.046   4.771
   88    HA2  GLY  10           2HA      GLY  10 -15.127  -2.506   6.596
   89    HA3  GLY  10           1HA      GLY  10 -16.805  -2.931   6.322
   90    H    LYS  11           H        LYS  11 -15.031  -3.011   3.366
   91    HA   LYS  11           HA       LYS  11 -15.158  -5.893   3.354
   92    HB2  LYS  11           2HB      LYS  11 -15.749  -4.407   1.356
   93    HB3  LYS  11           1HB      LYS  11 -14.026  -4.155   1.156
   94    HG2  LYS  11           2HG      LYS  11 -13.741  -6.611   0.938
   95    HG3  LYS  11           1HG      LYS  11 -15.496  -6.780   1.008
   96    HD2  LYS  11           2HD      LYS  11 -15.730  -5.435  -1.000
   97    HD3  LYS  11           1HD      LYS  11 -13.985  -5.171  -1.049
   98    HE2  LYS  11           2HE      LYS  11 -13.631  -7.575  -1.340
   99    HE3  LYS  11           1HE      LYS  11 -15.373  -7.838  -1.289
  100    HZ1  LYS  11           3HZ      LYS  11 -14.580  -7.795  -3.559
  101    HZ2  LYS  11           1HZ      LYS  11 -13.911  -6.257  -3.335
  102    HZ3  LYS  11           2HZ      LYS  11 -15.588  -6.467  -3.279
  103    H    THR  12           H        THR  12 -13.330  -7.281   3.258
  104    HA   THR  12           HA       THR  12 -10.687  -6.019   3.760
  105    HB   THR  12           HB       THR  12 -11.604  -8.755   4.693
  106    HG1  THR  12           1HG      THR  12 -12.229  -7.868   6.518
  107   HG21  THR  12          3HG2      THR  12  -9.155  -8.516   4.539
  108   HG22  THR  12          1HG2      THR  12  -9.705  -8.687   6.206
  109   HG23  THR  12          2HG2      THR  12  -9.241  -7.102   5.590
  110    H    ILE  13           H        ILE  13  -9.169  -6.385   2.251
  111    HA   ILE  13           HA       ILE  13  -9.562  -8.596   0.314
  112    HB   ILE  13           HB       ILE  13  -7.668  -6.283  -0.214
  113   HG12  ILE  13          2HG1      ILE  13 -10.545  -6.257  -1.162
  114   HG13  ILE  13          1HG1      ILE  13 -10.001  -5.362   0.251
  115   HG21  ILE  13          1HG2      ILE  13  -8.009  -6.902  -2.536
  116   HG22  ILE  13          2HG2      ILE  13  -9.215  -8.098  -2.064
  117   HG23  ILE  13          3HG2      ILE  13  -7.531  -8.312  -1.589
  118   HD11  ILE  13          3HD1      ILE  13 -10.163  -4.046  -1.868
  119   HD12  ILE  13          1HD1      ILE  13  -8.806  -4.995  -2.477
  120   HD13  ILE  13          2HD1      ILE  13  -8.601  -3.976  -1.052
  121    H    THR  14           H        THR  14  -7.892 -10.097   0.015
  122    HA   THR  14           HA       THR  14  -5.602  -9.895   1.862
  123    HB   THR  14           HB       THR  14  -6.502 -12.382   0.395
  124    HG1  THR  14           1HG      THR  14  -7.379 -11.493   2.953
  125   HG21  THR  14          3HG2      THR  14  -5.488 -13.501   2.393
  126   HG22  THR  14          1HG2      THR  14  -4.841 -11.928   2.859
  127   HG23  THR  14          2HG2      THR  14  -4.348 -12.669   1.336
  128    H    LEU  15           H        LEU  15  -3.574  -9.660   1.053
  129    HA   LEU  15           HA       LEU  15  -3.206 -10.039  -1.863
  130    HB2  LEU  15           2HB      LEU  15  -1.981  -7.852  -0.177
  131    HB3  LEU  15           1HB      LEU  15  -1.714  -8.096  -1.892
  132    HG   LEU  15           HG       LEU  15  -4.422  -7.465  -0.715
  133   HD11  LEU  15          1HD1      LEU  15  -2.353  -5.606  -1.874
  134   HD12  LEU  15          2HD1      LEU  15  -2.997  -5.598  -0.232
  135   HD13  LEU  15          3HD1      LEU  15  -4.040  -5.175  -1.590
  136   HD21  LEU  15          3HD2      LEU  15  -3.407  -7.231  -3.545
  137   HD22  LEU  15          1HD2      LEU  15  -5.055  -6.964  -2.978
  138   HD23  LEU  15          2HD2      LEU  15  -4.360  -8.585  -2.935
  139    H    GLU  16           H        GLU  16  -1.250 -10.875  -2.561
  140    HA   GLU  16           HA       GLU  16   0.517 -12.026  -0.497
  141    HB2  GLU  16           2HB      GLU  16  -0.479 -13.491  -2.356
  142    HB3  GLU  16           1HB      GLU  16   0.573 -12.632  -3.470
  143    HG2  GLU  16           2HG      GLU  16   1.656 -14.015  -1.040
  144    HG3  GLU  16           1HG      GLU  16   1.356 -14.885  -2.541
  145    H    VAL  17           H        VAL  17   2.393 -10.909  -0.105
  146    HA   VAL  17           HA       VAL  17   3.577  -9.249  -2.244
  147    HB   VAL  17           HB       VAL  17   3.955  -7.422  -0.595
  148   HG11  VAL  17          1HG1      VAL  17   2.153  -7.250  -2.188
  149   HG12  VAL  17          2HG1      VAL  17   1.634  -6.574  -0.645
  150   HG13  VAL  17          3HG1      VAL  17   1.085  -8.177  -1.134
  151   HG21  VAL  17          3HG2      VAL  17   2.534  -7.357   1.451
  152   HG22  VAL  17          1HG2      VAL  17   3.765  -8.619   1.509
  153   HG23  VAL  17          2HG2      VAL  17   2.088  -9.038   1.160
  154    H    GLU  18           H        GLU  18   5.790  -8.432  -1.622
  155    HA   GLU  18           HA       GLU  18   7.267 -10.306   0.137
  156    HB2  GLU  18           2HB      GLU  18   8.157  -8.934  -2.426
  157    HB3  GLU  18           1HB      GLU  18   9.251  -9.772  -1.335
  158    HG2  GLU  18           2HG      GLU  18   6.888 -11.109  -2.619
  159    HG3  GLU  18           1HG      GLU  18   8.483 -11.050  -3.368
  160    HA   PRO  19           HA       PRO  19   8.170  -6.710   2.586
  161    HB2  PRO  19           2HB      PRO  19  10.988  -7.554   2.957
  162    HB3  PRO  19           1HB      PRO  19   9.719  -7.230   4.146
  163    HG2  PRO  19           2HG      PRO  19  10.485  -9.745   3.558
  164    HG3  PRO  19           1HG      PRO  19   8.806  -9.341   3.951
  165    HD2  PRO  19           2HD      PRO  19  10.036  -9.863   1.256
  166    HD3  PRO  19           1HD      PRO  19   8.449 -10.353   1.896
  167    H    SER  20           H        SER  20  10.403  -7.399  -0.067
  168    HA   SER  20           HA       SER  20  11.538  -4.728  -0.099
  169    HB2  SER  20           2HB      SER  20  12.709  -6.907  -0.804
  170    HB3  SER  20           1HB      SER  20  11.833  -6.729  -2.325
  171    HG   SER  20           HG       SER  20  12.944  -4.932  -2.776
  172    H    ASP  21           H        ASP  21   8.477  -5.751  -1.048
  173    HA   ASP  21           HA       ASP  21   8.280  -4.514  -3.627
  174    HB2  ASP  21           2HB      ASP  21   6.254  -5.518  -1.634
  175    HB3  ASP  21           1HB      ASP  21   5.740  -4.603  -3.044
  176    H    THR  22           H        THR  22   7.502  -2.462  -4.119
  177    HA   THR  22           HA       THR  22   7.707  -0.426  -2.052
  178    HB   THR  22           HB       THR  22   7.498   1.176  -3.873
  179    HG1  THR  22           1HG      THR  22   6.949   0.608  -5.859
  180   HG21  THR  22          3HG2      THR  22   9.437  -1.031  -4.499
  181   HG22  THR  22          1HG2      THR  22   9.729   0.406  -3.520
  182   HG23  THR  22          2HG2      THR  22   9.447   0.563  -5.254
  183    H    ILE  23           H        ILE  23   6.053   1.223  -1.737
  184    HA   ILE  23           HA       ILE  23   3.415   0.221  -1.347
  185    HB   ILE  23           HB       ILE  23   4.459   3.052  -1.395
  186   HG12  ILE  23          2HG1      ILE  23   5.469   1.660   0.310
  187   HG13  ILE  23          1HG1      ILE  23   4.442   2.874   1.053
  188   HG21  ILE  23          1HG2      ILE  23   2.461   3.765  -0.197
  189   HG22  ILE  23          2HG2      ILE  23   1.788   2.141  -0.336
  190   HG23  ILE  23          3HG2      ILE  23   2.043   3.115  -1.783
  191   HD11  ILE  23          3HD1      ILE  23   4.131   0.842   2.240
  192   HD12  ILE  23          1HD1      ILE  23   3.860  -0.062   0.750
  193   HD13  ILE  23          2HD1      ILE  23   2.671   1.123   1.291
  194    H    GLU  24           H        GLU  24   4.779   2.178  -4.036
  195    HA   GLU  24           HA       GLU  24   2.389   2.602  -5.525
  196    HB2  GLU  24           2HB      GLU  24   4.664   3.639  -6.001
  197    HB3  GLU  24           1HB      GLU  24   5.141   2.096  -6.697
  198    HG2  GLU  24           2HG      GLU  24   3.458   2.314  -8.419
  199    HG3  GLU  24           1HG      GLU  24   2.850   3.792  -7.675
  200    H    ASN  25           H        ASN  25   4.573  -0.220  -5.375
  201    HA   ASN  25           HA       ASN  25   3.248  -1.712  -7.468
  202    HB2  ASN  25           2HB      ASN  25   5.633  -2.110  -6.508
  203    HB3  ASN  25           1HB      ASN  25   4.815  -2.981  -5.215
  204   HD21  ASN  25          1HD2      ASN  25   4.429  -5.108  -5.535
  205   HD22  ASN  25          2HD2      ASN  25   4.480  -5.894  -7.071
  206    H    VAL  26           H        VAL  26   2.838  -1.592  -3.937
  207    HA   VAL  26           HA       VAL  26   0.841  -3.663  -3.777
  208    HB   VAL  26           HB       VAL  26   1.333  -1.287  -1.930
  209   HG11  VAL  26          1HG1      VAL  26   0.080  -2.554  -0.227
  210   HG12  VAL  26          2HG1      VAL  26  -0.324  -3.772  -1.436
  211   HG13  VAL  26          3HG1      VAL  26  -0.941  -2.128  -1.601
  212   HG21  VAL  26          3HG2      VAL  26   2.122  -4.157  -1.518
  213   HG22  VAL  26          1HG2      VAL  26   2.588  -2.750  -0.565
  214   HG23  VAL  26          2HG2      VAL  26   3.195  -2.939  -2.208
  215    H    LYS  27           H        LYS  27   0.584  -0.136  -4.371
  216    HA   LYS  27           HA       LYS  27  -2.247  -0.033  -4.461
  217    HB2  LYS  27           2HB      LYS  27  -0.204   1.647  -5.955
  218    HB3  LYS  27           1HB      LYS  27  -1.923   1.998  -5.916
  219    HG2  LYS  27           2HG      LYS  27  -1.351   1.975  -3.235
  220    HG3  LYS  27           1HG      LYS  27   0.181   2.576  -3.924
  221    HD2  LYS  27           2HD      LYS  27  -1.314   4.181  -5.253
  222    HD3  LYS  27           1HD      LYS  27  -2.553   3.760  -4.072
  223    HE2  LYS  27           2HE      LYS  27   0.187   4.697  -3.248
  224    HE3  LYS  27           1HE      LYS  27  -1.119   5.829  -3.608
  225    HZ1  LYS  27           3HZ      LYS  27  -1.083   5.414  -1.272
  226    HZ2  LYS  27           1HZ      LYS  27  -1.111   3.739  -1.502
  227    HZ3  LYS  27           2HZ      LYS  27  -2.463   4.670  -1.905
  228    H    ALA  28           H        ALA  28   0.166  -0.794  -6.994
  229    HA   ALA  28           HA       ALA  28  -1.629  -0.877  -9.178
  230    HB1  ALA  28           1HB      ALA  28   0.730  -0.788  -9.616
  231    HB2  ALA  28           2HB      ALA  28   0.087  -2.268 -10.328
  232    HB3  ALA  28           3HB      ALA  28   0.985  -2.337  -8.812
  233    H    LYS  29           H        LYS  29  -0.685  -3.383  -6.838
  234    HA   LYS  29           HA       LYS  29  -2.125  -5.594  -8.032
  235    HB2  LYS  29           2HB      LYS  29  -1.199  -5.099  -5.191
  236    HB3  LYS  29           1HB      LYS  29  -1.957  -6.593  -5.728
  237    HG2  LYS  29           2HG      LYS  29  -0.139  -7.136  -7.129
  238    HG3  LYS  29           1HG      LYS  29   0.548  -5.516  -6.989
  239    HD2  LYS  29           2HD      LYS  29   1.168  -5.883  -4.724
  240    HD3  LYS  29           1HD      LYS  29   0.226  -7.372  -4.638
  241    HE2  LYS  29           2HE      LYS  29   2.546  -7.038  -6.527
  242    HE3  LYS  29           1HE      LYS  29   2.748  -7.604  -4.870
  243    HZ1  LYS  29           3HZ      LYS  29   1.272  -9.447  -5.348
  244    HZ2  LYS  29           1HZ      LYS  29   2.563  -9.437  -6.442
  245    HZ3  LYS  29           2HZ      LYS  29   1.037  -8.893  -6.929
  246    H    ILE  30           H        ILE  30  -3.038  -3.089  -5.672
  247    HA   ILE  30           HA       ILE  30  -5.672  -4.172  -5.170
  248    HB   ILE  30           HB       ILE  30  -4.494  -1.430  -4.687
  249   HG12  ILE  30          2HG1      ILE  30  -5.237  -3.724  -2.858
  250   HG13  ILE  30          1HG1      ILE  30  -3.609  -3.282  -3.346
  251   HG21  ILE  30          1HG2      ILE  30  -6.892  -1.084  -4.999
  252   HG22  ILE  30          2HG2      ILE  30  -6.504  -0.949  -3.284
  253   HG23  ILE  30          3HG2      ILE  30  -7.253  -2.420  -3.905
  254   HD11  ILE  30          3HD1      ILE  30  -3.626  -2.309  -1.310
  255   HD12  ILE  30          1HD1      ILE  30  -5.378  -2.098  -1.304
  256   HD13  ILE  30          2HD1      ILE  30  -4.356  -0.978  -2.208
  257    H    GLN  31           H        GLN  31  -4.409  -1.789  -7.546
  258    HA   GLN  31           HA       GLN  31  -6.881  -1.002  -8.748
  259    HB2  GLN  31           2HB      GLN  31  -4.702   0.121  -9.205
  260    HB3  GLN  31           1HB      GLN  31  -4.131  -1.332 -10.011
  261    HG2  GLN  31           2HG      GLN  31  -6.030  -0.977 -11.663
  262    HG3  GLN  31           1HG      GLN  31  -6.258   0.600 -10.911
  263   HE21  GLN  31          1HE2      GLN  31  -5.385  -0.225 -13.684
  264   HE22  GLN  31          2HE2      GLN  31  -3.896   0.616 -13.929
  265    H    ASP  32           H        ASP  32  -4.706  -3.734  -9.419
  266    HA   ASP  32           HA       ASP  32  -6.124  -4.820 -11.638
  267    HB2  ASP  32           2HB      ASP  32  -3.767  -5.440 -10.864
  268    HB3  ASP  32           1HB      ASP  32  -4.540  -6.434  -9.634
  269    H    LYS  33           H        LYS  33  -6.478  -5.483  -8.149
  270    HA   LYS  33           HA       LYS  33  -8.496  -7.512  -8.570
  271    HB2  LYS  33           2HB      LYS  33  -7.784  -6.088  -6.005
  272    HB3  LYS  33           1HB      LYS  33  -8.638  -7.609  -6.137
  273    HG2  LYS  33           2HG      LYS  33  -6.175  -8.026  -7.452
  274    HG3  LYS  33           1HG      LYS  33  -5.791  -7.094  -6.006
  275    HD2  LYS  33           2HD      LYS  33  -6.892  -8.755  -4.613
  276    HD3  LYS  33           1HD      LYS  33  -7.382  -9.658  -6.049
  277    HE2  LYS  33           2HE      LYS  33  -4.972  -9.945  -6.609
  278    HE3  LYS  33           1HE      LYS  33  -4.569  -9.189  -5.069
  279    HZ1  LYS  33           3HZ      LYS  33  -6.222 -11.640  -5.329
  280    HZ2  LYS  33           1HZ      LYS  33  -5.619 -10.965  -3.900
  281    HZ3  LYS  33           2HZ      LYS  33  -4.559 -11.651  -5.024
  282    H    GLU  34           H        GLU  34  -8.651  -4.112  -7.459
  283    HA   GLU  34           HA       GLU  34 -11.602  -4.325  -7.442
  284    HB2  GLU  34           2HB      GLU  34  -9.728  -2.635  -5.817
  285    HB3  GLU  34           1HB      GLU  34 -11.478  -2.430  -5.808
  286    HG2  GLU  34           2HG      GLU  34 -10.211  -5.080  -5.289
  287    HG3  GLU  34           1HG      GLU  34 -10.368  -3.886  -3.972
  288    H    GLY  35           H        GLY  35  -9.222  -2.782  -9.342
  289    HA2  GLY  35           2HA      GLY  35  -9.517  -1.357 -11.094
  290    HA3  GLY  35           1HA      GLY  35 -11.218  -1.288 -10.712
  291    H    ILE  36           H        ILE  36  -9.213  -0.319  -8.086
  292    HA   ILE  36           HA       ILE  36 -10.064   2.455  -8.354
  293    HB   ILE  36           HB       ILE  36  -8.304   1.261  -6.189
  294   HG12  ILE  36          2HG1      ILE  36 -11.261   1.675  -5.759
  295   HG13  ILE  36          1HG1      ILE  36 -10.709   0.201  -6.539
  296   HG21  ILE  36          1HG2      ILE  36  -8.403   3.770  -6.399
  297   HG22  ILE  36          2HG2      ILE  36  -8.929   3.139  -4.838
  298   HG23  ILE  36          3HG2      ILE  36 -10.123   3.670  -6.020
  299   HD11  ILE  36          3HD1      ILE  36 -11.061   0.106  -4.045
  300   HD12  ILE  36          1HD1      ILE  36  -9.614   1.104  -3.901
  301   HD13  ILE  36          2HD1      ILE  36  -9.515  -0.491  -4.648
  302    HA   PRO  37           HA       PRO  37  -6.089   3.399 -10.376
  303    HB2  PRO  37           2HB      PRO  37  -6.806   6.271 -10.063
  304    HB3  PRO  37           1HB      PRO  37  -6.492   5.352 -11.539
  305    HG2  PRO  37           2HG      PRO  37  -8.957   6.158 -10.885
  306    HG3  PRO  37           1HG      PRO  37  -8.670   4.606 -11.693
  307    HD2  PRO  37           2HD      PRO  37  -9.189   5.153  -8.780
  308    HD3  PRO  37           1HD      PRO  37  -9.877   3.898  -9.832
  309    HA   PRO  38           HA       PRO  38  -3.549   4.065  -6.776
  310    HB2  PRO  38           2HB      PRO  38  -1.479   5.245  -8.620
  311    HB3  PRO  38           1HB      PRO  38  -1.325   3.905  -7.478
  312    HG2  PRO  38           2HG      PRO  38  -1.464   3.447 -10.082
  313    HG3  PRO  38           1HG      PRO  38  -2.294   2.385  -8.932
  314    HD2  PRO  38           2HD      PRO  38  -3.424   4.557 -10.665
  315    HD3  PRO  38           1HD      PRO  38  -4.074   2.944 -10.304
  316    H    ASP  39           H        ASP  39  -3.865   6.839  -9.006
  317    HA   ASP  39           HA       ASP  39  -2.826   8.727  -7.185
  318    HB2  ASP  39           2HB      ASP  39  -3.689  10.466  -8.661
  319    HB3  ASP  39           1HB      ASP  39  -2.906   9.206  -9.595
  320    H    GLN  40           H        GLN  40  -5.937   7.200  -7.204
  321    HA   GLN  40           HA       GLN  40  -7.161   9.305  -5.555
  322    HB2  GLN  40           2HB      GLN  40  -8.331   6.846  -6.874
  323    HB3  GLN  40           1HB      GLN  40  -9.235   7.935  -5.834
  324    HG2  GLN  40           2HG      GLN  40  -8.479   9.765  -7.487
  325    HG3  GLN  40           1HG      GLN  40  -8.096   8.414  -8.553
  326   HE21  GLN  40          1HE2      GLN  40 -10.433  10.637  -7.877
  327   HE22  GLN  40          2HE2      GLN  40 -11.816   9.767  -8.438
  328    H    GLN  41           H        GLN  41  -5.251   6.618  -4.998
  329    HA   GLN  41           HA       GLN  41  -6.719   5.638  -2.638
  330    HB2  GLN  41           2HB      GLN  41  -4.467   4.561  -4.302
  331    HB3  GLN  41           1HB      GLN  41  -4.923   3.837  -2.768
  332    HG2  GLN  41           2HG      GLN  41  -7.205   3.495  -3.660
  333    HG3  GLN  41           1HG      GLN  41  -6.650   4.118  -5.220
  334   HE21  GLN  41          1HE2      GLN  41  -5.223   1.803  -2.867
  335   HE22  GLN  41          2HE2      GLN  41  -5.009   0.559  -4.025
  336    H    ARG  42           H        ARG  42  -6.034   5.879  -0.562
  337    HA   ARG  42           HA       ARG  42  -3.309   6.845  -0.071
  338    HB2  ARG  42           2HB      ARG  42  -5.849   7.610   1.408
  339    HB3  ARG  42           1HB      ARG  42  -4.237   7.957   2.015
  340    HG2  ARG  42           2HG      ARG  42  -3.838   9.294  -0.060
  341    HG3  ARG  42           1HG      ARG  42  -5.544   9.070  -0.450
  342    HD2  ARG  42           2HD      ARG  42  -6.245  10.283   1.445
  343    HD3  ARG  42           1HD      ARG  42  -4.647  10.217   2.184
  344    HE   ARG  42           HE       ARG  42  -4.167  11.616  -0.066
  345   HH11  ARG  42          1HH1      ARG  42  -6.642  12.107   2.437
  346   HH12  ARG  42          2HH1      ARG  42  -6.715  13.811   2.159
  347   HH21  ARG  42          1HH2      ARG  42  -4.313  13.847  -0.370
  348   HH22  ARG  42          2HH2      ARG  42  -5.406  14.790   0.588
  349    H    LEU  43           H        LEU  43  -2.152   5.473   1.250
  350    HA   LEU  43           HA       LEU  43  -3.651   3.321   2.623
  351    HB2  LEU  43           2HB      LEU  43  -0.823   3.370   1.545
  352    HB3  LEU  43           1HB      LEU  43  -1.536   2.068   2.485
  353    HG   LEU  43           HG       LEU  43  -2.604   2.965  -0.196
  354   HD11  LEU  43          1HD1      LEU  43  -0.810   0.623   0.423
  355   HD12  LEU  43          2HD1      LEU  43  -0.320   2.094  -0.415
  356   HD13  LEU  43          3HD1      LEU  43  -1.512   1.019  -1.145
  357   HD21  LEU  43          3HD2      LEU  43  -4.273   1.843   1.126
  358   HD22  LEU  43          1HD2      LEU  43  -3.144   0.548   1.527
  359   HD23  LEU  43          2HD2      LEU  43  -3.712   0.742  -0.131
  360    H    ILE  44           H        ILE  44  -3.535   3.109   4.769
  361    HA   ILE  44           HA       ILE  44  -1.522   4.652   6.300
  362    HB   ILE  44           HB       ILE  44  -4.506   4.428   6.710
  363   HG12  ILE  44          2HG1      ILE  44  -3.823   7.022   7.205
  364   HG13  ILE  44          1HG1      ILE  44  -2.556   6.615   6.069
  365   HG21  ILE  44          1HG2      ILE  44  -4.180   5.630   8.893
  366   HG22  ILE  44          2HG2      ILE  44  -2.461   5.250   8.786
  367   HG23  ILE  44          3HG2      ILE  44  -3.646   3.948   8.903
  368   HD11  ILE  44          3HD1      ILE  44  -5.376   7.110   5.596
  369   HD12  ILE  44          1HD1      ILE  44  -4.771   5.664   4.783
  370   HD13  ILE  44          2HD1      ILE  44  -3.985   7.220   4.514
  371    H    PHE  45           H        PHE  45  -0.530   3.633   7.925
  372    HA   PHE  45           HA       PHE  45  -1.519   1.033   8.903
  373    HB2  PHE  45           2HB      PHE  45   0.197   0.554   7.184
  374    HB3  PHE  45           1HB      PHE  45   1.344   1.579   8.028
  375    HD1  PHE  45           1HD      PHE  45  -0.869  -1.353   8.714
  376    HD2  PHE  45           2HD      PHE  45   2.903   0.505   9.387
  377    HE1  PHE  45           1HE      PHE  45  -0.146  -3.301  10.031
  378    HE2  PHE  45           2HE      PHE  45   3.632  -1.442  10.700
  379    HZ   PHE  45           HZ       PHE  45   2.107  -3.348  11.025
  380    H    ALA  46           H        ALA  46  -1.530   1.070  11.180
  381    HA   ALA  46           HA       ALA  46  -1.318   1.932  13.290
  382    HB1  ALA  46           1HB      ALA  46   1.114   2.293  13.966
  383    HB2  ALA  46           2HB      ALA  46   1.517   1.885  12.299
  384    HB3  ALA  46           3HB      ALA  46   0.682   0.711  13.317
  385    H    GLY  47           H        GLY  47  -2.335   3.903  11.651
  386    HA2  GLY  47           2HA      GLY  47  -2.875   6.124  11.820
  387    HA3  GLY  47           1HA      GLY  47  -1.702   6.270  13.106
  388    H    LYS  48           H        LYS  48   0.019   5.135  10.435
  389    HA   LYS  48           HA       LYS  48   0.784   7.890   9.647
  390    HB2  LYS  48           2HB      LYS  48   2.969   6.953   8.993
  391    HB3  LYS  48           1HB      LYS  48   2.620   6.833  10.709
  392    HG2  LYS  48           2HG      LYS  48   2.391   4.545  10.647
  393    HG3  LYS  48           1HG      LYS  48   2.056   4.519   8.922
  394    HD2  LYS  48           2HD      LYS  48   4.182   3.760   8.804
  395    HD3  LYS  48           1HD      LYS  48   4.583   5.469   8.840
  396    HE2  LYS  48           2HE      LYS  48   6.004   4.510  10.430
  397    HE3  LYS  48           1HE      LYS  48   4.699   5.209  11.387
  398    HZ1  LYS  48           3HZ      LYS  48   3.668   2.958  11.394
  399    HZ2  LYS  48           1HZ      LYS  48   5.142   3.046  12.220
  400    HZ3  LYS  48           2HZ      LYS  48   5.076   2.353  10.679
  401    H    GLN  49           H        GLN  49   0.820   8.522   7.511
  402    HA   GLN  49           HA       GLN  49  -0.494   6.802   5.557
  403    HB2  GLN  49           2HB      GLN  49   0.636   9.606   5.388
  404    HB3  GLN  49           1HB      GLN  49  -0.047   8.769   4.000
  405    HG2  GLN  49           2HG      GLN  49  -2.193   8.696   4.984
  406    HG3  GLN  49           1HG      GLN  49  -1.568   9.218   6.547
  407   HE21  GLN  49          1HE2      GLN  49  -2.314  10.260   3.248
  408   HE22  GLN  49          2HE2      GLN  49  -2.350  11.949   3.610
  409    H    LEU  50           H        LEU  50   0.574   5.521   4.054
  410    HA   LEU  50           HA       LEU  50   3.471   5.357   4.175
  411    HB2  LEU  50           2HB      LEU  50   1.652   3.701   2.431
  412    HB3  LEU  50           1HB      LEU  50   3.292   3.349   2.915
  413    HG   LEU  50           HG       LEU  50   0.923   3.436   4.787
  414   HD11  LEU  50          1HD1      LEU  50   1.056   1.005   4.815
  415   HD12  LEU  50          2HD1      LEU  50   2.354   1.052   3.622
  416   HD13  LEU  50          3HD1      LEU  50   0.734   1.604   3.188
  417   HD21  LEU  50          3HD2      LEU  50   2.334   2.596   6.477
  418   HD22  LEU  50          1HD2      LEU  50   3.241   3.910   5.734
  419   HD23  LEU  50          2HD2      LEU  50   3.628   2.236   5.338
  420    H    GLU  51           H        GLU  51   4.928   5.978   2.604
  421    HA   GLU  51           HA       GLU  51   3.909   7.569   0.366
  422    HB2  GLU  51           2HB      GLU  51   6.691   7.174   1.485
  423    HB3  GLU  51           1HB      GLU  51   6.361   8.128   0.044
  424    HG2  GLU  51           2HG      GLU  51   5.258   9.783   1.207
  425    HG3  GLU  51           1HG      GLU  51   4.957   8.759   2.612
  426    H    ASP  52           H        ASP  52   4.262   7.229  -1.810
  427    HA   ASP  52           HA       ASP  52   4.299   4.565  -2.689
  428    HB2  ASP  52           2HB      ASP  52   4.601   7.131  -4.250
  429    HB3  ASP  52           1HB      ASP  52   4.437   5.542  -4.990
  430    H    GLY  53           H        GLY  53   7.020   6.777  -2.340
  431    HA2  GLY  53           2HA      GLY  53   8.777   5.118  -3.970
  432    HA3  GLY  53           1HA      GLY  53   9.227   6.558  -3.080
  433    H    ARG  54           H        ARG  54   7.644   4.606  -0.848
  434    HA   ARG  54           HA       ARG  54  10.211   3.469   0.111
  435    HB2  ARG  54           2HB      ARG  54   7.640   4.018   1.621
  436    HB3  ARG  54           1HB      ARG  54   9.084   3.313   2.318
  437    HG2  ARG  54           2HG      ARG  54   8.738   6.139   1.311
  438    HG3  ARG  54           1HG      ARG  54   8.934   5.599   2.965
  439    HD2  ARG  54           2HD      ARG  54  11.200   4.845   2.492
  440    HD3  ARG  54           1HD      ARG  54  11.029   5.332   0.808
  441    HE   ARG  54           HE       ARG  54  10.548   7.639   2.082
  442   HH11  ARG  54          1HH1      ARG  54  13.236   5.356   2.527
  443   HH12  ARG  54          2HH1      ARG  54  14.320   6.596   3.051
  444   HH21  ARG  54          1HH2      ARG  54  12.016   9.201   2.774
  445   HH22  ARG  54          2HH2      ARG  54  13.637   8.756   3.192
  446    H    THR  55           H        THR  55  10.059   1.373   1.313
  447    HA   THR  55           HA       THR  55   8.292  -0.532  -0.125
  448    HB   THR  55           HB       THR  55   9.850  -2.280   0.475
  449    HG1  THR  55           1HG      THR  55  11.637  -1.924   1.702
  450   HG21  THR  55          3HG2      THR  55  11.673  -0.138  -0.515
  451   HG22  THR  55          1HG2      THR  55  10.353  -0.737  -1.521
  452   HG23  THR  55          2HG2      THR  55  11.601  -1.847  -0.952
  453    H    LEU  56           H        LEU  56   7.613  -2.464   1.089
  454    HA   LEU  56           HA       LEU  56   6.120  -1.870   3.412
  455    HB2  LEU  56           2HB      LEU  56   7.026  -4.563   2.397
  456    HB3  LEU  56           1HB      LEU  56   5.799  -4.309   3.625
  457    HG   LEU  56           HG       LEU  56   5.587  -3.397   0.752
  458   HD11  LEU  56          1HD1      LEU  56   4.079  -5.222   0.413
  459   HD12  LEU  56          2HD1      LEU  56   4.187  -5.691   2.110
  460   HD13  LEU  56          3HD1      LEU  56   5.592  -5.861   1.057
  461   HD21  LEU  56          3HD2      LEU  56   3.681  -3.295   3.086
  462   HD22  LEU  56          1HD2      LEU  56   3.140  -3.166   1.414
  463   HD23  LEU  56          2HD2      LEU  56   4.240  -1.962   2.079
  464    H    SER  57           H        SER  57   9.375  -3.282   3.185
  465    HA   SER  57           HA       SER  57   9.581  -4.035   5.931
  466    HB2  SER  57           2HB      SER  57  11.974  -4.278   5.567
  467    HB3  SER  57           1HB      SER  57  11.050  -5.047   4.249
  468    HG   SER  57           HG       SER  57  11.880  -3.663   2.887
  469    H    ASP  58           H        ASP  58  10.227  -0.999   4.220
  470    HA   ASP  58           HA       ASP  58  11.772   0.296   6.208
  471    HB2  ASP  58           2HB      ASP  58   9.881   1.484   4.162
  472    HB3  ASP  58           1HB      ASP  58  10.973   2.434   5.156
  473    H    TYR  59           H        TYR  59   8.297  -0.232   6.014
  474    HA   TYR  59           HA       TYR  59   7.809   1.470   8.369
  475    HB2  TYR  59           2HB      TYR  59   5.949   0.144   6.374
  476    HB3  TYR  59           1HB      TYR  59   5.381   0.954   7.834
  477    HD1  TYR  59           1HD      TYR  59   6.154   3.405   8.166
  478    HD2  TYR  59           2HD      TYR  59   6.253   1.410   4.408
  479    HE1  TYR  59           1HE      TYR  59   6.217   5.578   7.020
  480    HE2  TYR  59           2HE      TYR  59   6.317   3.580   3.252
  481    HH   TYR  59           HH       TYR  59   5.496   6.412   4.600
  482    H    ASN  60           H        ASN  60   8.932  -1.557   8.112
  483    HA   ASN  60           HA       ASN  60   8.902  -3.459   9.289
  484    HB2  ASN  60           2HB      ASN  60   7.810  -1.604  11.416
  485    HB3  ASN  60           1HB      ASN  60   8.348  -3.250  11.736
  486   HD21  ASN  60          1HD2      ASN  60  10.552  -3.706  11.815
  487   HD22  ASN  60          2HD2      ASN  60  11.754  -2.469  11.735
  488    H    ILE  61           H        ILE  61   6.716  -3.250   7.540
  489    HA   ILE  61           HA       ILE  61   4.352  -4.231   8.945
  490    HB   ILE  61           HB       ILE  61   4.869  -3.958   5.958
  491   HG12  ILE  61          2HG1      ILE  61   3.104  -2.266   7.737
  492   HG13  ILE  61          1HG1      ILE  61   4.758  -1.828   7.344
  493   HG21  ILE  61          1HG2      ILE  61   2.315  -4.622   7.442
  494   HG22  ILE  61          2HG2      ILE  61   3.187  -5.666   6.321
  495   HG23  ILE  61          3HG2      ILE  61   2.397  -4.205   5.729
  496   HD11  ILE  61          3HD1      ILE  61   4.082  -1.878   4.921
  497   HD12  ILE  61          1HD1      ILE  61   3.370  -0.593   5.896
  498   HD13  ILE  61          2HD1      ILE  61   2.415  -2.016   5.478
  499    H    GLN  62           H        GLN  62   4.032  -6.308   9.449
  500    HA   GLN  62           HA       GLN  62   5.778  -8.405   8.290
  501    HB2  GLN  62           2HB      GLN  62   4.445  -8.142  10.994
  502    HB3  GLN  62           1HB      GLN  62   5.334  -9.562  10.464
  503    HG2  GLN  62           2HG      GLN  62   6.501  -6.799  10.739
  504    HG3  GLN  62           1HG      GLN  62   6.641  -8.083  11.939
  505   HE21  GLN  62          1HE2      GLN  62   8.551  -6.551   9.966
  506   HE22  GLN  62          2HE2      GLN  62   9.513  -7.840   9.332
  507    H    LYS  63           H        LYS  63   4.775 -10.683   8.525
  508    HA   LYS  63           HA       LYS  63   2.593 -10.950   6.865
  509    HB2  LYS  63           2HB      LYS  63   2.352 -13.290   7.648
  510    HB3  LYS  63           1HB      LYS  63   4.006 -12.862   7.232
  511    HG2  LYS  63           2HG      LYS  63   4.549 -12.596   9.590
  512    HG3  LYS  63           1HG      LYS  63   2.890 -13.017  10.024
  513    HD2  LYS  63           2HD      LYS  63   3.197 -15.216   8.949
  514    HD3  LYS  63           1HD      LYS  63   4.872 -14.788   8.590
  515    HE2  LYS  63           2HE      LYS  63   5.390 -14.642  10.935
  516    HE3  LYS  63           1HE      LYS  63   3.697 -14.881  11.365
  517    HZ1  LYS  63           3HZ      LYS  63   4.849 -16.929  11.655
  518    HZ2  LYS  63           1HZ      LYS  63   5.514 -16.857  10.101
  519    HZ3  LYS  63           2HZ      LYS  63   3.852 -17.098  10.300
  520    H    GLU  64           H        GLU  64   0.377 -11.237   7.030
  521    HA   GLU  64           HA       GLU  64  -1.732 -11.049   7.811
  522    HB2  GLU  64           2HB      GLU  64  -0.607 -11.917  10.475
  523    HB3  GLU  64           1HB      GLU  64  -2.315 -11.792  10.081
  524    HG2  GLU  64           2HG      GLU  64  -1.753 -13.437   8.166
  525    HG3  GLU  64           1HG      GLU  64  -0.291 -13.767   9.098
  526    H    SER  65           H        SER  65   0.210  -8.644   8.177
  527    HA   SER  65           HA       SER  65  -1.076  -7.085  10.273
  528    HB2  SER  65           2HB      SER  65   0.844  -6.405   8.037
  529    HB3  SER  65           1HB      SER  65   0.165  -5.179   9.103
  530    HG   SER  65           HG       SER  65   1.274  -6.004  10.780
  531    H    THR  66           H        THR  66  -2.475  -5.267   9.921
  532    HA   THR  66           HA       THR  66  -4.141  -5.452   7.480
  533    HB   THR  66           HB       THR  66  -4.905  -4.351  10.191
  534    HG1  THR  66           1HG      THR  66  -5.610  -6.300  10.725
  535   HG21  THR  66          3HG2      THR  66  -6.500  -5.097   7.753
  536   HG22  THR  66          1HG2      THR  66  -6.460  -3.554   8.606
  537   HG23  THR  66          2HG2      THR  66  -7.223  -4.957   9.356
  538    H    LEU  67           H        LEU  67  -4.070  -3.748   6.116
  539    HA   LEU  67           HA       LEU  67  -3.115  -1.113   7.041
  540    HB2  LEU  67           2HB      LEU  67  -3.327  -2.058   4.171
  541    HB3  LEU  67           1HB      LEU  67  -2.555  -0.602   4.768
  542    HG   LEU  67           HG       LEU  67  -0.983  -2.358   6.029
  543   HD11  LEU  67          1HD1      LEU  67  -2.068  -3.949   3.736
  544   HD12  LEU  67          2HD1      LEU  67  -2.081  -4.366   5.449
  545   HD13  LEU  67          3HD1      LEU  67  -0.556  -4.310   4.569
  546   HD21  LEU  67          3HD2      LEU  67   0.537  -2.321   4.071
  547   HD22  LEU  67          1HD2      LEU  67  -0.114  -0.738   4.500
  548   HD23  LEU  67          2HD2      LEU  67  -0.772  -1.620   3.120
  549    H    HIS  68           H        HIS  68  -4.322   0.758   6.240
  550    HA   HIS  68           HA       HIS  68  -7.154   0.175   5.639
  551    HB2  HIS  68           2HB      HIS  68  -5.863   2.482   7.115
  552    HB3  HIS  68           1HB      HIS  68  -7.564   2.433   6.684
  553    HD1  HIS  68           1HD      HIS  68  -5.035   0.711   8.881
  554    HD2  HIS  68           2HD      HIS  68  -9.156   0.991   8.429
  555    HE1  HIS  68           1HE      HIS  68  -6.006  -0.432  10.894
  556    H    LEU  69           H        LEU  69  -8.057   1.025   3.821
  557    HA   LEU  69           HA       LEU  69  -6.379   2.793   2.130
  558    HB2  LEU  69           2HB      LEU  69  -6.997   0.589   1.183
  559    HB3  LEU  69           1HB      LEU  69  -8.689   0.978   1.404
  560    HG   LEU  69           HG       LEU  69  -8.482   2.767  -0.260
  561   HD11  LEU  69          1HD1      LEU  69  -5.671   1.772  -0.674
  562   HD12  LEU  69          2HD1      LEU  69  -6.108   3.309   0.073
  563   HD13  LEU  69          3HD1      LEU  69  -6.496   3.010  -1.621
  564   HD21  LEU  69          3HD2      LEU  69  -7.445   0.138  -1.281
  565   HD22  LEU  69          1HD2      LEU  69  -8.326   1.357  -2.203
  566   HD23  LEU  69          2HD2      LEU  69  -9.133   0.482  -0.902
  567    H    VAL  70           H        VAL  70  -7.077   4.864   1.735
  568    HA   VAL  70           HA       VAL  70  -9.840   5.608   2.301
  569    HB   VAL  70           HB       VAL  70  -7.217   6.923   2.904
  570   HG11  VAL  70          1HG1      VAL  70  -9.810   8.483   2.747
  571   HG12  VAL  70          2HG1      VAL  70  -8.374   8.746   1.757
  572   HG13  VAL  70          3HG1      VAL  70  -8.323   9.079   3.488
  573   HG21  VAL  70          3HG2      VAL  70  -8.328   5.567   4.577
  574   HG22  VAL  70          1HG2      VAL  70  -9.658   6.726   4.603
  575   HG23  VAL  70          2HG2      VAL  70  -8.036   7.228   5.089
  576    H    LEU  71           H        LEU  71 -10.866   6.806   0.673
  577    HA   LEU  71           HA       LEU  71  -9.401   7.024  -1.872
  578    HB2  LEU  71           2HB      LEU  71 -12.378   6.977  -1.361
  579    HB3  LEU  71           1HB      LEU  71 -11.617   7.052  -2.938
  580    HG   LEU  71           HG       LEU  71 -11.202   4.744  -1.039
  581   HD11  LEU  71          1HD1      LEU  71 -13.574   4.894  -1.565
  582   HD12  LEU  71          2HD1      LEU  71 -12.837   3.512  -2.375
  583   HD13  LEU  71          3HD1      LEU  71 -13.199   4.978  -3.287
  584   HD21  LEU  71          3HD2      LEU  71 -10.674   5.137  -3.981
  585   HD22  LEU  71          1HD2      LEU  71 -10.555   3.588  -3.146
  586   HD23  LEU  71          2HD2      LEU  71  -9.482   4.914  -2.700
  587    H    ARG  72           H        ARG  72  -9.176   8.916  -2.965
  588    HA   ARG  72           HA       ARG  72  -9.916  11.383  -1.561
  589    HB2  ARG  72           2HB      ARG  72  -8.017  10.738  -3.809
  590    HB3  ARG  72           1HB      ARG  72  -8.465  12.401  -3.450
  591    HG2  ARG  72           2HG      ARG  72  -7.636  12.112  -1.158
  592    HG3  ARG  72           1HG      ARG  72  -7.137  10.470  -1.562
  593    HD2  ARG  72           2HD      ARG  72  -6.159  12.793  -3.193
  594    HD3  ARG  72           1HD      ARG  72  -5.404  12.405  -1.652
  595    HE   ARG  72           HE       ARG  72  -5.637  10.183  -3.500
  596   HH11  ARG  72          1HH1      ARG  72  -3.483  12.788  -2.401
  597   HH12  ARG  72          2HH1      ARG  72  -2.067  11.980  -2.973
  598   HH21  ARG  72          1HH2      ARG  72  -3.746   9.190  -4.222
  599   HH22  ARG  72          2HH2      ARG  72  -2.212   9.963  -3.998
  600    H    LEU  73           H        LEU  73 -10.564  13.288  -3.042
  601    HA   LEU  73           HA       LEU  73 -12.119  12.611  -5.397
  602    HB2  LEU  73           2HB      LEU  73 -13.581  12.134  -3.366
  603    HB3  LEU  73           1HB      LEU  73 -13.567  13.862  -3.066
  604    HG   LEU  73           HG       LEU  73 -14.535  14.154  -5.398
  605   HD11  LEU  73          1HD1      LEU  73 -15.700  12.187  -6.330
  606   HD12  LEU  73          2HD1      LEU  73 -14.899  11.175  -5.128
  607   HD13  LEU  73          3HD1      LEU  73 -13.944  12.019  -6.347
  608   HD21  LEU  73          3HD2      LEU  73 -16.109  12.668  -3.299
  609   HD22  LEU  73          1HD2      LEU  73 -16.824  13.485  -4.689
  610   HD23  LEU  73          2HD2      LEU  73 -15.947  14.415  -3.474
  611    H    ARG  74           H        ARG  74 -12.300  14.316  -6.802
  612    HA   ARG  74           HA       ARG  74 -11.656  17.036  -5.839
  613    HB2  ARG  74           2HB      ARG  74 -10.501  15.694  -8.294
  614    HB3  ARG  74           1HB      ARG  74 -10.281  17.384  -7.866
  615    HG2  ARG  74           2HG      ARG  74  -9.416  15.121  -6.083
  616    HG3  ARG  74           1HG      ARG  74  -8.373  15.834  -7.315
  617    HD2  ARG  74           2HD      ARG  74  -8.536  18.001  -6.245
  618    HD3  ARG  74           1HD      ARG  74  -9.673  17.359  -5.061
  619    HE   ARG  74           HE       ARG  74  -7.918  16.494  -3.888
  620   HH11  ARG  74          1HH1      ARG  74  -6.657  17.295  -7.109
  621   HH12  ARG  74          2HH1      ARG  74  -5.021  16.974  -6.651
  622   HH21  ARG  74          1HH2      ARG  74  -5.756  16.094  -3.356
  623   HH22  ARG  74          2HH2      ARG  74  -4.513  16.301  -4.545
  624    H    GLY  75           H        GLY  75 -12.494  18.768  -7.144
  625    HA2  GLY  75           2HA      GLY  75 -13.856  18.693  -9.509
  626    HA3  GLY  75           1HA      GLY  75 -15.047  18.142  -8.342
  627    H    GLY  76           H        GLY  76 -16.224  20.105  -9.130
  628    HA2  GLY  76           2HA      GLY  76 -15.210  22.709  -8.453
  629    HA3  GLY  76           1HA      GLY  76 -16.828  22.328  -9.018
  Start of MODEL   10
    1    H1   MET   1           1HT      MET   1   5.057 -12.108   1.352
    2    H2   MET   1           2HT      MET   1   4.540 -13.714   1.065
    3    H3   MET   1           3HT      MET   1   5.903 -13.419   2.062
    4    HA   MET   1           HA       MET   1   3.953 -14.001   3.295
    5    HB2  MET   1           2HB      MET   1   4.059 -12.053   4.867
    6    HB3  MET   1           1HB      MET   1   5.634 -12.638   4.376
    7    HG2  MET   1           2HG      MET   1   5.812 -10.778   2.777
    8    HG3  MET   1           1HG      MET   1   4.234 -10.197   3.308
    9    HE1  MET   1           2HE      MET   1   5.865  -7.423   5.151
   10    HE2  MET   1           3HE      MET   1   4.243  -8.110   5.064
   11    HE3  MET   1           1HE      MET   1   5.215  -7.956   3.600
   12    H    GLN   2           H        GLN   2   1.830 -13.440   4.053
   13    HA   GLN   2           HA       GLN   2   0.190 -12.011   2.062
   14    HB2  GLN   2           2HB      GLN   2  -0.537 -13.865   4.343
   15    HB3  GLN   2           1HB      GLN   2  -1.716 -13.062   3.310
   16    HG2  GLN   2           2HG      GLN   2  -0.876 -14.232   1.374
   17    HG3  GLN   2           1HG      GLN   2   0.409 -14.967   2.331
   18   HE21  GLN   2          1HE2      GLN   2  -3.153 -14.764   2.051
   19   HE22  GLN   2          2HE2      GLN   2  -3.436 -16.358   2.656
   20    H    ILE   3           H        ILE   3  -1.115 -10.279   2.547
   21    HA   ILE   3           HA       ILE   3  -1.088  -9.171   5.266
   22    HB   ILE   3           HB       ILE   3  -0.765  -6.900   4.421
   23   HG12  ILE   3          2HG1      ILE   3   0.170  -8.046   1.779
   24   HG13  ILE   3          1HG1      ILE   3  -1.487  -7.495   1.996
   25   HG21  ILE   3          1HG2      ILE   3   1.415  -8.891   3.842
   26   HG22  ILE   3          2HG2      ILE   3   1.128  -7.986   5.329
   27   HG23  ILE   3          3HG2      ILE   3   1.679  -7.145   3.879
   28   HD11  ILE   3          3HD1      ILE   3   0.842  -5.727   2.609
   29   HD12  ILE   3          1HD1      ILE   3  -0.834  -5.283   2.295
   30   HD13  ILE   3          2HD1      ILE   3   0.183  -5.874   0.979
   31    H    PHE   4           H        PHE   4  -2.952  -7.466   5.528
   32    HA   PHE   4           HA       PHE   4  -5.209  -8.097   3.728
   33    HB2  PHE   4           2HB      PHE   4  -5.260  -7.628   6.717
   34    HB3  PHE   4           1HB      PHE   4  -6.667  -7.862   5.710
   35    HD1  PHE   4           1HD      PHE   4  -7.173 -10.061   4.756
   36    HD2  PHE   4           2HD      PHE   4  -3.860  -9.487   7.366
   37    HE1  PHE   4           1HE      PHE   4  -7.017 -12.493   5.085
   38    HE2  PHE   4           2HE      PHE   4  -3.699 -11.922   7.703
   39    HZ   PHE   4           HZ       PHE   4  -5.278 -13.428   6.560
   40    H    VAL   5           H        VAL   5  -6.438  -6.368   3.002
   41    HA   VAL   5           HA       VAL   5  -5.758  -3.671   4.047
   42    HB   VAL   5           HB       VAL   5  -6.599  -4.290   1.196
   43   HG11  VAL   5          1HG1      VAL   5  -7.254  -2.027   2.063
   44   HG12  VAL   5          2HG1      VAL   5  -6.114  -1.959   0.720
   45   HG13  VAL   5          3HG1      VAL   5  -5.550  -1.698   2.369
   46   HG21  VAL   5          3HG2      VAL   5  -4.280  -3.606   0.603
   47   HG22  VAL   5          1HG2      VAL   5  -4.350  -5.106   1.531
   48   HG23  VAL   5          2HG2      VAL   5  -3.879  -3.601   2.324
   49    H    LYS   6           H        LYS   6  -7.469  -2.642   4.979
   50    HA   LYS   6           HA       LYS   6 -10.190  -3.684   4.494
   51    HB2  LYS   6           2HB      LYS   6  -8.826  -2.482   6.859
   52    HB3  LYS   6           1HB      LYS   6 -10.515  -2.037   6.642
   53    HG2  LYS   6           2HG      LYS   6 -10.830  -4.645   6.378
   54    HG3  LYS   6           1HG      LYS   6  -9.299  -4.702   7.254
   55    HD2  LYS   6           2HD      LYS   6 -10.293  -3.369   9.056
   56    HD3  LYS   6           1HD      LYS   6 -11.819  -3.325   8.169
   57    HE2  LYS   6           2HE      LYS   6 -10.500  -5.907   8.976
   58    HE3  LYS   6           1HE      LYS   6 -11.606  -5.040  10.038
   59    HZ1  LYS   6           3HZ      LYS   6 -12.312  -5.896   7.289
   60    HZ2  LYS   6           1HZ      LYS   6 -13.356  -5.280   8.468
   61    HZ3  LYS   6           2HZ      LYS   6 -12.656  -6.808   8.670
   62    H    THR   7           H        THR   7 -11.740  -2.422   3.579
   63    HA   THR   7           HA       THR   7 -10.967   0.265   2.698
   64    HB   THR   7           HB       THR   7 -12.648   0.089   0.993
   65    HG1  THR   7           1HG      THR   7 -14.386  -0.903   1.710
   66   HG21  THR   7          3HG2      THR   7 -11.460  -2.658   1.095
   67   HG22  THR   7          1HG2      THR   7 -10.567  -1.225   0.590
   68   HG23  THR   7          2HG2      THR   7 -11.986  -1.749  -0.321
   69    H    LEU   8           H        LEU   8 -12.657   1.990   2.677
   70    HA   LEU   8           HA       LEU   8 -13.682   2.637   5.178
   71    HB2  LEU   8           2HB      LEU   8 -14.962   3.409   2.550
   72    HB3  LEU   8           1HB      LEU   8 -15.195   4.224   4.081
   73    HG   LEU   8           HG       LEU   8 -12.564   4.071   2.625
   74   HD11  LEU   8          1HD1      LEU   8 -12.951   6.416   2.061
   75   HD12  LEU   8          2HD1      LEU   8 -14.564   6.312   2.766
   76   HD13  LEU   8          3HD1      LEU   8 -14.162   5.358   1.340
   77   HD21  LEU   8          3HD2      LEU   8 -13.411   5.791   4.951
   78   HD22  LEU   8          1HD2      LEU   8 -11.821   5.762   4.184
   79   HD23  LEU   8          2HD2      LEU   8 -12.398   4.355   5.077
   80    H    THR   9           H        THR   9 -15.691   1.182   2.520
   81    HA   THR   9           HA       THR   9 -18.016   0.987   4.044
   82    HB   THR   9           HB       THR   9 -18.920  -0.438   2.316
   83    HG1  THR   9           1HG      THR   9 -17.488  -1.925   1.801
   84   HG21  THR   9          3HG2      THR   9 -18.644   0.838   0.373
   85   HG22  THR   9          1HG2      THR   9 -17.018   1.343   0.835
   86   HG23  THR   9          2HG2      THR   9 -18.417   1.971   1.707
   87    H    GLY  10           H        GLY  10 -15.249  -0.896   4.664
   88    HA2  GLY  10           2HA      GLY  10 -15.176  -2.332   6.515
   89    HA3  GLY  10           1HA      GLY  10 -16.852  -2.755   6.259
   90    H    LYS  11           H        LYS  11 -15.152  -2.900   3.271
   91    HA   LYS  11           HA       LYS  11 -15.273  -5.784   3.304
   92    HB2  LYS  11           2HB      LYS  11 -15.852  -4.305   1.295
   93    HB3  LYS  11           1HB      LYS  11 -14.126  -4.073   1.096
   94    HG2  LYS  11           2HG      LYS  11 -13.837  -6.496   0.827
   95    HG3  LYS  11           1HG      LYS  11 -15.578  -6.718   1.005
   96    HD2  LYS  11           2HD      LYS  11 -15.983  -5.409  -0.989
   97    HD3  LYS  11           1HD      LYS  11 -14.261  -5.057  -1.144
   98    HE2  LYS  11           2HE      LYS  11 -13.846  -7.492  -1.378
   99    HE3  LYS  11           1HE      LYS  11 -15.591  -7.756  -1.366
  100    HZ1  LYS  11           3HZ      LYS  11 -14.766  -7.695  -3.617
  101    HZ2  LYS  11           1HZ      LYS  11 -14.073  -6.170  -3.372
  102    HZ3  LYS  11           2HZ      LYS  11 -15.753  -6.349  -3.347
  103    H    THR  12           H        THR  12 -13.449  -7.205   3.212
  104    HA   THR  12           HA       THR  12 -10.798  -5.950   3.724
  105    HB   THR  12           HB       THR  12 -11.714  -8.688   4.651
  106    HG1  THR  12           1HG      THR  12 -12.841  -7.473   5.978
  107   HG21  THR  12          3HG2      THR  12  -9.375  -7.027   5.588
  108   HG22  THR  12          1HG2      THR  12  -9.257  -8.409   4.501
  109   HG23  THR  12          2HG2      THR  12  -9.821  -8.637   6.156
  110    H    ILE  13           H        ILE  13  -9.253  -6.364   2.240
  111    HA   ILE  13           HA       ILE  13  -9.645  -8.563   0.294
  112    HB   ILE  13           HB       ILE  13  -7.742  -6.260  -0.226
  113   HG12  ILE  13          2HG1      ILE  13 -10.620  -6.203  -1.164
  114   HG13  ILE  13          1HG1      ILE  13 -10.061  -5.314   0.243
  115   HG21  ILE  13          1HG2      ILE  13  -8.104  -6.870  -2.554
  116   HG22  ILE  13          2HG2      ILE  13  -9.303  -8.071  -2.067
  117   HG23  ILE  13          3HG2      ILE  13  -7.612  -8.276  -1.608
  118   HD11  ILE  13          3HD1      ILE  13 -10.212  -3.967  -1.829
  119   HD12  ILE  13          1HD1      ILE  13  -8.926  -4.962  -2.515
  120   HD13  ILE  13          2HD1      ILE  13  -8.616  -3.971  -1.086
  121    H    THR  14           H        THR  14  -7.967 -10.064   0.002
  122    HA   THR  14           HA       THR  14  -5.684  -9.860   1.859
  123    HB   THR  14           HB       THR  14  -6.582 -12.354   0.405
  124    HG1  THR  14           1HG      THR  14  -8.328 -12.022   1.594
  125   HG21  THR  14          3HG2      THR  14  -4.322 -12.232   1.564
  126   HG22  THR  14          1HG2      THR  14  -5.385 -13.568   2.000
  127   HG23  THR  14          2HG2      THR  14  -5.235 -12.174   3.072
  128    H    LEU  15           H        LEU  15  -3.651  -9.635   1.055
  129    HA   LEU  15           HA       LEU  15  -3.271 -10.024  -1.859
  130    HB2  LEU  15           2HB      LEU  15  -2.053  -7.829  -0.174
  131    HB3  LEU  15           1HB      LEU  15  -1.775  -8.082  -1.883
  132    HG   LEU  15           HG       LEU  15  -4.489  -7.441  -0.738
  133   HD11  LEU  15          1HD1      LEU  15  -2.409  -5.592  -1.894
  134   HD12  LEU  15          2HD1      LEU  15  -3.066  -5.573  -0.256
  135   HD13  LEU  15          3HD1      LEU  15  -4.099  -5.160  -1.621
  136   HD21  LEU  15          3HD2      LEU  15  -4.553  -8.548  -2.898
  137   HD22  LEU  15          1HD2      LEU  15  -3.404  -7.377  -3.553
  138   HD23  LEU  15          2HD2      LEU  15  -5.015  -6.853  -3.062
  139    H    GLU  16           H        GLU  16  -1.307 -10.846  -2.555
  140    HA   GLU  16           HA       GLU  16   0.453 -12.005  -0.484
  141    HB2  GLU  16           2HB      GLU  16  -0.539 -13.464  -2.347
  142    HB3  GLU  16           1HB      GLU  16   0.522 -12.609  -3.455
  143    HG2  GLU  16           2HG      GLU  16   1.586 -13.986  -1.014
  144    HG3  GLU  16           1HG      GLU  16   1.293 -14.864  -2.517
  145    H    VAL  17           H        VAL  17   2.327 -10.893  -0.080
  146    HA   VAL  17           HA       VAL  17   3.522  -9.225  -2.209
  147    HB   VAL  17           HB       VAL  17   3.891  -7.408  -0.546
  148   HG11  VAL  17          1HG1      VAL  17   2.095  -7.235  -2.150
  149   HG12  VAL  17          2HG1      VAL  17   1.578  -6.557  -0.606
  150   HG13  VAL  17          3HG1      VAL  17   1.026  -8.159  -1.093
  151   HG21  VAL  17          3HG2      VAL  17   3.674  -8.655   1.544
  152   HG22  VAL  17          1HG2      VAL  17   1.979  -8.993   1.189
  153   HG23  VAL  17          2HG2      VAL  17   2.504  -7.338   1.501
  154    H    GLU  18           H        GLU  18   5.728  -8.415  -1.592
  155    HA   GLU  18           HA       GLU  18   7.216 -10.273   0.172
  156    HB2  GLU  18           2HB      GLU  18   8.097  -8.899  -2.387
  157    HB3  GLU  18           1HB      GLU  18   9.193  -9.736  -1.303
  158    HG2  GLU  18           2HG      GLU  18   6.835 -11.077  -2.582
  159    HG3  GLU  18           1HG      GLU  18   8.426 -11.016  -3.335
  160    HA   PRO  19           HA       PRO  19   8.128  -6.670   2.603
  161    HB2  PRO  19           2HB      PRO  19  10.947  -7.507   2.978
  162    HB3  PRO  19           1HB      PRO  19   9.674  -7.195   4.162
  163    HG2  PRO  19           2HG      PRO  19  10.455  -9.701   3.574
  164    HG3  PRO  19           1HG      PRO  19   8.770  -9.312   3.952
  165    HD2  PRO  19           2HD      PRO  19  10.031  -9.792   1.260
  166    HD3  PRO  19           1HD      PRO  19   8.451 -10.327   1.886
  167    H    SER  20           H        SER  20  10.369  -7.363  -0.052
  168    HA   SER  20           HA       SER  20  11.507  -4.696  -0.077
  169    HB2  SER  20           2HB      SER  20  12.587  -5.522  -2.214
  170    HB3  SER  20           1HB      SER  20  12.971  -6.434  -0.756
  171    HG   SER  20           HG       SER  20  12.169  -7.486  -2.912
  172    H    ASP  21           H        ASP  21   8.441  -5.707  -1.032
  173    HA   ASP  21           HA       ASP  21   8.252  -4.462  -3.607
  174    HB2  ASP  21           2HB      ASP  21   6.212  -5.476  -1.632
  175    HB3  ASP  21           1HB      ASP  21   5.709  -4.556  -3.038
  176    H    THR  22           H        THR  22   7.476  -2.407  -4.098
  177    HA   THR  22           HA       THR  22   7.674  -0.376  -2.019
  178    HB   THR  22           HB       THR  22   7.472   1.232  -3.845
  179    HG1  THR  22           1HG      THR  22   6.933   0.665  -5.833
  180   HG21  THR  22          3HG2      THR  22   9.404  -0.973  -4.510
  181   HG22  THR  22          1HG2      THR  22   9.700   0.423  -3.472
  182   HG23  THR  22          2HG2      THR  22   9.429   0.648  -5.199
  183    H    ILE  23           H        ILE  23   6.027   1.277  -1.705
  184    HA   ILE  23           HA       ILE  23   3.387   0.280  -1.312
  185    HB   ILE  23           HB       ILE  23   4.430   3.112  -1.382
  186   HG12  ILE  23          2HG1      ILE  23   5.457   1.735   0.330
  187   HG13  ILE  23          1HG1      ILE  23   4.431   2.951   1.071
  188   HG21  ILE  23          1HG2      ILE  23   2.020   3.187  -1.750
  189   HG22  ILE  23          2HG2      ILE  23   2.435   3.815  -0.154
  190   HG23  ILE  23          3HG2      ILE  23   1.763   2.194  -0.316
  191   HD11  ILE  23          3HD1      ILE  23   2.657   1.133   1.240
  192   HD12  ILE  23          1HD1      ILE  23   4.061   1.002   2.299
  193   HD13  ILE  23          2HD1      ILE  23   3.952  -0.001   0.855
  194    H    GLU  24           H        GLU  24   4.747   2.229  -4.003
  195    HA   GLU  24           HA       GLU  24   2.358   2.658  -5.491
  196    HB2  GLU  24           2HB      GLU  24   4.638   3.686  -5.965
  197    HB3  GLU  24           1HB      GLU  24   5.112   2.144  -6.657
  198    HG2  GLU  24           2HG      GLU  24   3.482   2.364  -8.405
  199    HG3  GLU  24           1HG      GLU  24   2.802   3.806  -7.648
  200    H    ASN  25           H        ASN  25   4.530  -0.170  -5.319
  201    HA   ASN  25           HA       ASN  25   3.205  -1.657  -7.417
  202    HB2  ASN  25           2HB      ASN  25   5.586  -2.063  -6.456
  203    HB3  ASN  25           1HB      ASN  25   4.766  -2.927  -5.160
  204   HD21  ASN  25          1HD2      ASN  25   4.370  -5.053  -5.474
  205   HD22  ASN  25          2HD2      ASN  25   4.413  -5.847  -7.008
  206    H    VAL  26           H        VAL  26   2.777  -1.512  -3.885
  207    HA   VAL  26           HA       VAL  26   0.787  -3.588  -3.729
  208    HB   VAL  26           HB       VAL  26   1.279  -1.214  -1.880
  209   HG11  VAL  26          1HG1      VAL  26   0.020  -2.473  -0.175
  210   HG12  VAL  26          2HG1      VAL  26  -0.374  -3.701  -1.378
  211   HG13  VAL  26          3HG1      VAL  26  -1.000  -2.062  -1.554
  212   HG21  VAL  26          3HG2      VAL  26   2.551  -2.655  -0.525
  213   HG22  VAL  26          1HG2      VAL  26   3.132  -2.887  -2.170
  214   HG23  VAL  26          2HG2      VAL  26   2.058  -4.080  -1.441
  215    H    LYS  27           H        LYS  27   0.521  -0.050  -4.295
  216    HA   LYS  27           HA       LYS  27  -2.312   0.047  -4.382
  217    HB2  LYS  27           2HB      LYS  27  -0.309   1.746  -5.912
  218    HB3  LYS  27           1HB      LYS  27  -2.020   2.096  -5.773
  219    HG2  LYS  27           2HG      LYS  27  -1.323   2.038  -3.127
  220    HG3  LYS  27           1HG      LYS  27   0.190   2.625  -3.880
  221    HD2  LYS  27           2HD      LYS  27  -1.332   4.273  -5.113
  222    HD3  LYS  27           1HD      LYS  27  -2.528   3.854  -3.888
  223    HE2  LYS  27           2HE      LYS  27   0.260   4.734  -3.168
  224    HE3  LYS  27           1HE      LYS  27  -1.041   5.886  -3.442
  225    HZ1  LYS  27           3HZ      LYS  27  -1.099   3.699  -1.435
  226    HZ2  LYS  27           1HZ      LYS  27  -2.309   4.855  -1.682
  227    HZ3  LYS  27           2HZ      LYS  27  -0.796   5.330  -1.095
  228    H    ALA  28           H        ALA  28   0.098  -0.687  -6.921
  229    HA   ALA  28           HA       ALA  28  -1.691  -0.761  -9.110
  230    HB1  ALA  28           1HB      ALA  28   0.665  -0.669  -9.544
  231    HB2  ALA  28           2HB      ALA  28   0.026  -2.149 -10.260
  232    HB3  ALA  28           3HB      ALA  28   0.925  -2.222  -8.744
  233    H    LYS  29           H        LYS  29  -0.756  -3.271  -6.768
  234    HA   LYS  29           HA       LYS  29  -2.202  -5.475  -7.969
  235    HB2  LYS  29           2HB      LYS  29  -1.282  -4.991  -5.124
  236    HB3  LYS  29           1HB      LYS  29  -2.045  -6.480  -5.668
  237    HG2  LYS  29           2HG      LYS  29  -0.221  -7.026  -7.061
  238    HG3  LYS  29           1HG      LYS  29   0.471  -5.404  -6.917
  239    HD2  LYS  29           2HD      LYS  29   1.077  -5.779  -4.648
  240    HD3  LYS  29           1HD      LYS  29   0.136  -7.267  -4.572
  241    HE2  LYS  29           2HE      LYS  29   2.462  -6.926  -6.450
  242    HE3  LYS  29           1HE      LYS  29   2.660  -7.499  -4.793
  243    HZ1  LYS  29           3HZ      LYS  29   1.181  -9.337  -5.283
  244    HZ2  LYS  29           1HZ      LYS  29   2.480  -9.328  -6.366
  245    HZ3  LYS  29           2HZ      LYS  29   0.960  -8.780  -6.864
  246    H    ILE  30           H        ILE  30  -3.122  -2.967  -5.609
  247    HA   ILE  30           HA       ILE  30  -5.754  -4.052  -5.119
  248    HB   ILE  30           HB       ILE  30  -4.611  -1.286  -4.638
  249   HG12  ILE  30          2HG1      ILE  30  -5.344  -3.580  -2.803
  250   HG13  ILE  30          1HG1      ILE  30  -3.715  -3.141  -3.297
  251   HG21  ILE  30          1HG2      ILE  30  -7.379  -2.329  -3.991
  252   HG22  ILE  30          2HG2      ILE  30  -6.970  -0.894  -4.929
  253   HG23  ILE  30          3HG2      ILE  30  -6.671  -0.925  -3.190
  254   HD11  ILE  30          3HD1      ILE  30  -5.511  -1.885  -1.303
  255   HD12  ILE  30          1HD1      ILE  30  -4.391  -0.843  -2.180
  256   HD13  ILE  30          2HD1      ILE  30  -3.774  -2.199  -1.236
  257    H    GLN  31           H        GLN  31  -4.483  -1.679  -7.500
  258    HA   GLN  31           HA       GLN  31  -6.957  -0.914  -8.718
  259    HB2  GLN  31           2HB      GLN  31  -4.769   0.209  -9.171
  260    HB3  GLN  31           1HB      GLN  31  -4.204  -1.246  -9.979
  261    HG2  GLN  31           2HG      GLN  31  -6.202  -0.845 -11.577
  262    HG3  GLN  31           1HG      GLN  31  -6.239   0.772 -10.878
  263   HE21  GLN  31          1HE2      GLN  31  -5.501  -0.363 -13.640
  264   HE22  GLN  31          2HE2      GLN  31  -3.970   0.366 -13.972
  265    H    ASP  32           H        ASP  32  -4.760  -3.642  -9.362
  266    HA   ASP  32           HA       ASP  32  -6.155  -4.739 -11.597
  267    HB2  ASP  32           2HB      ASP  32  -4.517  -6.287  -9.574
  268    HB3  ASP  32           1HB      ASP  32  -4.901  -6.795 -11.222
  269    H    LYS  33           H        LYS  33  -6.505  -5.416  -8.109
  270    HA   LYS  33           HA       LYS  33  -8.505  -7.465  -8.538
  271    HB2  LYS  33           2HB      LYS  33  -7.797  -6.036  -5.973
  272    HB3  LYS  33           1HB      LYS  33  -8.652  -7.556  -6.101
  273    HG2  LYS  33           2HG      LYS  33  -6.193  -7.976  -7.422
  274    HG3  LYS  33           1HG      LYS  33  -5.804  -7.048  -5.978
  275    HD2  LYS  33           2HD      LYS  33  -6.892  -8.704  -4.581
  276    HD3  LYS  33           1HD      LYS  33  -7.400  -9.606  -6.011
  277    HE2  LYS  33           2HE      LYS  33  -4.981  -9.869  -6.594
  278    HE3  LYS  33           1HE      LYS  33  -4.584  -9.160  -5.028
  279    HZ1  LYS  33           3HZ      LYS  33  -6.259 -11.589  -5.368
  280    HZ2  LYS  33           1HZ      LYS  33  -5.638 -10.975  -3.918
  281    HZ3  LYS  33           2HZ      LYS  33  -4.596 -11.635  -5.078
  282    H    GLU  34           H        GLU  34  -8.683  -4.077  -7.417
  283    HA   GLU  34           HA       GLU  34 -11.636  -4.311  -7.416
  284    HB2  GLU  34           2HB      GLU  34  -9.778  -2.601  -5.792
  285    HB3  GLU  34           1HB      GLU  34 -11.531  -2.409  -5.787
  286    HG2  GLU  34           2HG      GLU  34 -10.249  -5.047  -5.257
  287    HG3  GLU  34           1HG      GLU  34 -10.417  -3.851  -3.942
  288    H    GLY  35           H        GLY  35  -9.268  -2.769  -9.319
  289    HA2  GLY  35           2HA      GLY  35  -9.570  -1.365 -11.084
  290    HA3  GLY  35           1HA      GLY  35 -11.272  -1.282 -10.691
  291    H    ILE  36           H        ILE  36  -9.246  -0.320  -8.078
  292    HA   ILE  36           HA       ILE  36 -10.072   2.460  -8.354
  293    HB   ILE  36           HB       ILE  36  -8.325   1.258  -6.181
  294   HG12  ILE  36          2HG1      ILE  36 -11.280   1.687  -5.754
  295   HG13  ILE  36          1HG1      ILE  36 -10.737   0.207  -6.534
  296   HG21  ILE  36          1HG2      ILE  36  -8.407   3.760  -6.403
  297   HG22  ILE  36          2HG2      ILE  36  -8.947   3.145  -4.839
  298   HG23  ILE  36          3HG2      ILE  36 -10.129   3.674  -6.036
  299   HD11  ILE  36          3HD1      ILE  36 -11.093   0.113  -4.045
  300   HD12  ILE  36          1HD1      ILE  36  -9.645   1.109  -3.894
  301   HD13  ILE  36          2HD1      ILE  36  -9.545  -0.484  -4.643
  302    HA   PRO  37           HA       PRO  37  -6.069   3.313 -10.398
  303    HB2  PRO  37           2HB      PRO  37  -6.733   6.199 -10.088
  304    HB3  PRO  37           1HB      PRO  37  -6.426   5.272 -11.565
  305    HG2  PRO  37           2HG      PRO  37  -8.888   6.118 -10.924
  306    HG3  PRO  37           1HG      PRO  37  -8.614   4.557 -11.726
  307    HD2  PRO  37           2HD      PRO  37  -9.148   5.128  -8.820
  308    HD3  PRO  37           1HD      PRO  37  -9.845   3.876  -9.871
  309    HA   PRO  38           HA       PRO  38  -3.484   3.949  -6.835
  310    HB2  PRO  38           2HB      PRO  38  -1.415   5.127  -8.677
  311    HB3  PRO  38           1HB      PRO  38  -1.268   3.763  -7.561
  312    HG2  PRO  38           2HG      PRO  38  -1.429   3.359 -10.174
  313    HG3  PRO  38           1HG      PRO  38  -2.252   2.283  -9.032
  314    HD2  PRO  38           2HD      PRO  38  -3.387   4.479 -10.719
  315    HD3  PRO  38           1HD      PRO  38  -4.044   2.863 -10.377
  316    H    ASP  39           H        ASP  39  -3.793   6.725  -9.048
  317    HA   ASP  39           HA       ASP  39  -2.763   8.604  -7.207
  318    HB2  ASP  39           2HB      ASP  39  -3.625  10.345  -8.680
  319    HB3  ASP  39           1HB      ASP  39  -2.837   9.093  -9.612
  320    H    GLN  40           H        GLN  40  -5.860   7.043  -7.221
  321    HA   GLN  40           HA       GLN  40  -7.099   9.134  -5.569
  322    HB2  GLN  40           2HB      GLN  40  -8.258   6.691  -6.917
  323    HB3  GLN  40           1HB      GLN  40  -9.171   7.774  -5.881
  324    HG2  GLN  40           2HG      GLN  40  -8.386   9.617  -7.513
  325    HG3  GLN  40           1HG      GLN  40  -7.997   8.269  -8.582
  326   HE21  GLN  40          1HE2      GLN  40  -9.541   8.384 -10.147
  327   HE22  GLN  40          2HE2      GLN  40 -11.239   8.385  -9.834
  328    H    GLN  41           H        GLN  41  -5.204   6.420  -5.028
  329    HA   GLN  41           HA       GLN  41  -6.691   5.420  -2.683
  330    HB2  GLN  41           2HB      GLN  41  -4.490   4.335  -4.402
  331    HB3  GLN  41           1HB      GLN  41  -4.838   3.625  -2.833
  332    HG2  GLN  41           2HG      GLN  41  -7.209   3.341  -3.619
  333    HG3  GLN  41           1HG      GLN  41  -6.643   3.795  -5.225
  334   HE21  GLN  41          1HE2      GLN  41  -6.105   2.124  -6.526
  335   HE22  GLN  41          2HE2      GLN  41  -5.593   0.570  -5.971
  336    H    ARG  42           H        ARG  42  -6.009   5.683  -0.604
  337    HA   ARG  42           HA       ARG  42  -3.275   6.655  -0.120
  338    HB2  ARG  42           2HB      ARG  42  -5.816   7.424   1.352
  339    HB3  ARG  42           1HB      ARG  42  -4.203   7.787   1.952
  340    HG2  ARG  42           2HG      ARG  42  -3.806   9.100  -0.128
  341    HG3  ARG  42           1HG      ARG  42  -5.500   8.839  -0.552
  342    HD2  ARG  42           2HD      ARG  42  -6.250  10.057   1.342
  343    HD3  ARG  42           1HD      ARG  42  -4.642  10.073   2.058
  344    HE   ARG  42           HE       ARG  42  -4.842  11.413  -0.499
  345   HH11  ARG  42          1HH1      ARG  42  -5.032  11.906   3.012
  346   HH12  ARG  42          2HH1      ARG  42  -4.708  13.599   2.884
  347   HH21  ARG  42          1HH2      ARG  42  -4.417  13.631  -0.589
  348   HH22  ARG  42          2HH2      ARG  42  -4.363  14.567   0.864
  349    H    LEU  43           H        LEU  43  -2.112   5.300   1.220
  350    HA   LEU  43           HA       LEU  43  -3.599   3.148   2.610
  351    HB2  LEU  43           2HB      LEU  43  -0.772   3.240   1.516
  352    HB3  LEU  43           1HB      LEU  43  -1.427   1.946   2.506
  353    HG   LEU  43           HG       LEU  43  -2.562   2.724  -0.187
  354   HD11  LEU  43          1HD1      LEU  43  -0.580   0.568   0.537
  355   HD12  LEU  43          2HD1      LEU  43  -0.324   1.936  -0.545
  356   HD13  LEU  43          3HD1      LEU  43  -1.447   0.655  -0.996
  357   HD21  LEU  43          3HD2      LEU  43  -4.175   1.589   1.204
  358   HD22  LEU  43          1HD2      LEU  43  -3.003   0.337   1.614
  359   HD23  LEU  43          2HD2      LEU  43  -3.605   0.473  -0.037
  360    H    ILE  44           H        ILE  44  -3.515   2.977   4.748
  361    HA   ILE  44           HA       ILE  44  -1.624   4.653   6.291
  362    HB   ILE  44           HB       ILE  44  -4.362   3.898   7.317
  363   HG12  ILE  44          2HG1      ILE  44  -4.613   5.139   5.087
  364   HG13  ILE  44          1HG1      ILE  44  -5.490   5.720   6.481
  365   HG21  ILE  44          1HG2      ILE  44  -4.112   5.719   8.812
  366   HG22  ILE  44          2HG2      ILE  44  -2.643   6.262   7.998
  367   HG23  ILE  44          3HG2      ILE  44  -2.655   4.729   8.873
  368   HD11  ILE  44          3HD1      ILE  44  -4.733   7.588   5.279
  369   HD12  ILE  44          1HD1      ILE  44  -3.095   6.945   5.151
  370   HD13  ILE  44          2HD1      ILE  44  -3.712   7.487   6.714
  371    H    PHE  45           H        PHE  45  -0.478   3.650   7.866
  372    HA   PHE  45           HA       PHE  45  -1.384   1.045   8.884
  373    HB2  PHE  45           2HB      PHE  45   0.354   0.622   7.143
  374    HB3  PHE  45           1HB      PHE  45   1.475   1.640   8.036
  375    HD1  PHE  45           1HD      PHE  45  -0.714  -1.341   8.553
  376    HD2  PHE  45           2HD      PHE  45   2.969   0.580   9.491
  377    HE1  PHE  45           1HE      PHE  45  -0.022  -3.294   9.873
  378    HE2  PHE  45           2HE      PHE  45   3.662  -1.381  10.803
  379    HZ   PHE  45           HZ       PHE  45   2.161  -3.316  10.996
  380    H    ALA  46           H        ALA  46  -1.449   1.123  11.119
  381    HA   ALA  46           HA       ALA  46  -1.280   1.976  13.235
  382    HB1  ALA  46           1HB      ALA  46   1.140   2.347  13.948
  383    HB2  ALA  46           2HB      ALA  46   1.568   1.929  12.288
  384    HB3  ALA  46           3HB      ALA  46   0.720   0.761  13.301
  385    H    GLY  47           H        GLY  47  -2.321   3.904  11.621
  386    HA2  GLY  47           2HA      GLY  47  -2.901   6.112  11.748
  387    HA3  GLY  47           1HA      GLY  47  -1.739   6.299  13.041
  388    H    LYS  48           H        LYS  48  -0.031   5.123  10.361
  389    HA   LYS  48           HA       LYS  48   0.767   7.862   9.582
  390    HB2  LYS  48           2HB      LYS  48   2.444   5.391   9.198
  391    HB3  LYS  48           1HB      LYS  48   2.970   7.056   9.125
  392    HG2  LYS  48           2HG      LYS  48   2.672   7.297  11.525
  393    HG3  LYS  48           1HG      LYS  48   2.061   5.646  11.632
  394    HD2  LYS  48           2HD      LYS  48   4.272   4.895  10.665
  395    HD3  LYS  48           1HD      LYS  48   4.838   6.553  10.892
  396    HE2  LYS  48           2HE      LYS  48   4.356   6.378  13.291
  397    HE3  LYS  48           1HE      LYS  48   3.806   4.718  13.057
  398    HZ1  LYS  48           3HZ      LYS  48   6.037   4.657  13.835
  399    HZ2  LYS  48           1HZ      LYS  48   6.553   5.775  12.674
  400    HZ3  LYS  48           2HZ      LYS  48   6.075   4.225  12.199
  401    H    GLN  49           H        GLN  49   0.793   8.521   7.460
  402    HA   GLN  49           HA       GLN  49  -0.516   6.834   5.483
  403    HB2  GLN  49           2HB      GLN  49   0.630   9.639   5.403
  404    HB3  GLN  49           1HB      GLN  49   0.027   8.848   3.955
  405    HG2  GLN  49           2HG      GLN  49  -2.170   8.793   4.753
  406    HG3  GLN  49           1HG      GLN  49  -1.668   9.149   6.405
  407   HE21  GLN  49          1HE2      GLN  49  -1.990  10.533   3.145
  408   HE22  GLN  49          2HE2      GLN  49  -2.098  12.174   3.680
  409    H    LEU  50           H        LEU  50   0.566   5.543   3.991
  410    HA   LEU  50           HA       LEU  50   3.465   5.384   4.135
  411    HB2  LEU  50           2HB      LEU  50   1.642   3.731   2.390
  412    HB3  LEU  50           1HB      LEU  50   3.291   3.379   2.853
  413    HG   LEU  50           HG       LEU  50   0.943   3.459   4.748
  414   HD11  LEU  50          1HD1      LEU  50   0.752   1.617   3.166
  415   HD12  LEU  50          2HD1      LEU  50   1.100   1.026   4.788
  416   HD13  LEU  50          3HD1      LEU  50   2.381   1.084   3.576
  417   HD21  LEU  50          3HD2      LEU  50   3.674   2.300   5.263
  418   HD22  LEU  50          1HD2      LEU  50   2.385   2.607   6.422
  419   HD23  LEU  50          2HD2      LEU  50   3.245   3.958   5.685
  420    H    GLU  51           H        GLU  51   4.928   6.012   2.573
  421    HA   GLU  51           HA       GLU  51   3.923   7.612   0.337
  422    HB2  GLU  51           2HB      GLU  51   6.700   7.210   1.470
  423    HB3  GLU  51           1HB      GLU  51   6.375   8.167   0.030
  424    HG2  GLU  51           2HG      GLU  51   5.270   9.821   1.190
  425    HG3  GLU  51           1HG      GLU  51   4.958   8.796   2.589
  426    H    ASP  52           H        ASP  52   4.276   7.267  -1.833
  427    HA   ASP  52           HA       ASP  52   4.320   4.608  -2.717
  428    HB2  ASP  52           2HB      ASP  52   4.625   7.174  -4.277
  429    HB3  ASP  52           1HB      ASP  52   4.455   5.579  -5.015
  430    H    GLY  53           H        GLY  53   7.035   6.812  -2.323
  431    HA2  GLY  53           2HA      GLY  53   8.804   5.177  -3.955
  432    HA3  GLY  53           1HA      GLY  53   9.246   6.610  -3.058
  433    H    ARG  54           H        ARG  54   7.651   4.653  -0.836
  434    HA   ARG  54           HA       ARG  54  10.216   3.517   0.128
  435    HB2  ARG  54           2HB      ARG  54   7.645   4.083   1.632
  436    HB3  ARG  54           1HB      ARG  54   9.082   3.361   2.332
  437    HG2  ARG  54           2HG      ARG  54   8.760   6.188   1.335
  438    HG3  ARG  54           1HG      ARG  54   8.975   5.641   2.983
  439    HD2  ARG  54           2HD      ARG  54  11.234   4.888   2.481
  440    HD3  ARG  54           1HD      ARG  54  11.040   5.379   0.797
  441    HE   ARG  54           HE       ARG  54  11.427   7.545   1.410
  442   HH11  ARG  54          1HH1      ARG  54  10.800   5.748   4.409
  443   HH12  ARG  54          2HH1      ARG  54  11.243   7.087   5.412
  444   HH21  ARG  54          1HH2      ARG  54  11.991   9.248   2.782
  445   HH22  ARG  54          2HH2      ARG  54  11.910   9.050   4.501
  446    H    THR  55           H        THR  55  10.046   1.421   1.338
  447    HA   THR  55           HA       THR  55   8.285  -0.485  -0.102
  448    HB   THR  55           HB       THR  55   9.850  -2.231   0.482
  449    HG1  THR  55           1HG      THR  55  11.431  -1.971   1.885
  450   HG21  THR  55          3HG2      THR  55  11.273   0.151  -0.672
  451   HG22  THR  55          1HG2      THR  55  10.444  -1.133  -1.551
  452   HG23  THR  55          2HG2      THR  55  11.920  -1.490  -0.652
  453    H    LEU  56           H        LEU  56   7.596  -2.417   1.103
  454    HA   LEU  56           HA       LEU  56   6.099  -1.825   3.424
  455    HB2  LEU  56           2HB      LEU  56   7.000  -4.512   2.402
  456    HB3  LEU  56           1HB      LEU  56   5.774  -4.267   3.635
  457    HG   LEU  56           HG       LEU  56   5.558  -3.335   0.766
  458   HD11  LEU  56          1HD1      LEU  56   4.066  -5.158   0.403
  459   HD12  LEU  56          2HD1      LEU  56   4.136  -5.629   2.102
  460   HD13  LEU  56          3HD1      LEU  56   5.560  -5.807   1.075
  461   HD21  LEU  56          3HD2      LEU  56   3.658  -3.245   3.108
  462   HD22  LEU  56          1HD2      LEU  56   3.111  -3.107   1.436
  463   HD23  LEU  56          2HD2      LEU  56   4.213  -1.906   2.105
  464    H    SER  57           H        SER  57   9.349  -3.233   3.204
  465    HA   SER  57           HA       SER  57   9.552  -4.009   5.947
  466    HB2  SER  57           2HB      SER  57  11.055  -5.080   4.400
  467    HB3  SER  57           1HB      SER  57  11.697  -3.517   3.876
  468    HG   SER  57           HG       SER  57  12.242  -5.016   6.159
  469    H    ASP  58           H        ASP  58  10.182  -0.960   4.247
  470    HA   ASP  58           HA       ASP  58  11.708   0.338   6.247
  471    HB2  ASP  58           2HB      ASP  58   9.813   1.532   4.206
  472    HB3  ASP  58           1HB      ASP  58  10.908   2.475   5.204
  473    H    TYR  59           H        TYR  59   8.232  -0.226   6.052
  474    HA   TYR  59           HA       TYR  59   7.741   1.462   8.415
  475    HB2  TYR  59           2HB      TYR  59   5.882   0.120   6.430
  476    HB3  TYR  59           1HB      TYR  59   5.299   0.892   7.904
  477    HD1  TYR  59           1HD      TYR  59   5.502   3.339   8.187
  478    HD2  TYR  59           2HD      TYR  59   6.591   1.429   4.543
  479    HE1  TYR  59           1HE      TYR  59   5.447   5.508   7.037
  480    HE2  TYR  59           2HE      TYR  59   6.533   3.597   3.379
  481    HH   TYR  59           HH       TYR  59   6.843   6.138   4.218
  482    H    ASN  60           H        ASN  60   8.910  -1.537   8.171
  483    HA   ASN  60           HA       ASN  60   8.912  -3.435   9.358
  484    HB2  ASN  60           2HB      ASN  60   7.782  -1.592  11.478
  485    HB3  ASN  60           1HB      ASN  60   8.347  -3.226  11.805
  486   HD21  ASN  60          1HD2      ASN  60  10.631  -3.708  11.441
  487   HD22  ASN  60          2HD2      ASN  60  11.783  -2.423  11.545
  488    H    ILE  61           H        ILE  61   6.731  -3.270   7.601
  489    HA   ILE  61           HA       ILE  61   4.380  -4.287   8.998
  490    HB   ILE  61           HB       ILE  61   4.900  -4.003   6.013
  491   HG12  ILE  61          2HG1      ILE  61   3.109  -2.328   7.783
  492   HG13  ILE  61          1HG1      ILE  61   4.760  -1.872   7.404
  493   HG21  ILE  61          1HG2      ILE  61   2.335  -4.666   7.480
  494   HG22  ILE  61          2HG2      ILE  61   3.239  -5.736   6.409
  495   HG23  ILE  61          3HG2      ILE  61   2.447  -4.302   5.759
  496   HD11  ILE  61          3HD1      ILE  61   4.095  -1.948   4.975
  497   HD12  ILE  61          1HD1      ILE  61   3.387  -0.652   5.940
  498   HD13  ILE  61          2HD1      ILE  61   2.427  -2.073   5.533
  499    H    GLN  62           H        GLN  62   4.086  -6.364   9.494
  500    HA   GLN  62           HA       GLN  62   5.857  -8.439   8.343
  501    HB2  GLN  62           2HB      GLN  62   4.527  -8.142  11.042
  502    HB3  GLN  62           1HB      GLN  62   5.361  -9.601  10.529
  503    HG2  GLN  62           2HG      GLN  62   7.438  -8.338  10.295
  504    HG3  GLN  62           1HG      GLN  62   6.600  -6.871  10.798
  505   HE21  GLN  62          1HE2      GLN  62   6.231  -6.501  12.984
  506   HE22  GLN  62          2HE2      GLN  62   6.811  -7.563  14.214
  507    H    LYS  63           H        LYS  63   4.871 -10.729   8.559
  508    HA   LYS  63           HA       LYS  63   2.701 -11.009   6.884
  509    HB2  LYS  63           2HB      LYS  63   2.472 -13.350   7.658
  510    HB3  LYS  63           1HB      LYS  63   4.128 -12.910   7.256
  511    HG2  LYS  63           2HG      LYS  63   4.654 -12.652   9.619
  512    HG3  LYS  63           1HG      LYS  63   2.995 -13.077  10.041
  513    HD2  LYS  63           2HD      LYS  63   3.309 -15.273   8.959
  514    HD3  LYS  63           1HD      LYS  63   4.983 -14.843   8.612
  515    HE2  LYS  63           2HE      LYS  63   5.492 -14.712  10.957
  516    HE3  LYS  63           1HE      LYS  63   3.793 -14.946  11.380
  517    HZ1  LYS  63           3HZ      LYS  63   4.932 -16.996  11.668
  518    HZ2  LYS  63           1HZ      LYS  63   5.622 -16.919  10.126
  519    HZ3  LYS  63           2HZ      LYS  63   3.955 -17.161  10.297
  520    H    GLU  64           H        GLU  64   0.488 -11.298   7.037
  521    HA   GLU  64           HA       GLU  64  -1.623 -11.125   7.804
  522    HB2  GLU  64           2HB      GLU  64  -0.511 -11.996  10.467
  523    HB3  GLU  64           1HB      GLU  64  -2.220 -11.876  10.067
  524    HG2  GLU  64           2HG      GLU  64  -1.643 -13.511   8.155
  525    HG3  GLU  64           1HG      GLU  64  -0.179 -13.837   9.086
  526    H    SER  65           H        SER  65   0.317  -8.712   8.180
  527    HA   SER  65           HA       SER  65  -0.976  -7.169  10.272
  528    HB2  SER  65           2HB      SER  65   0.955  -6.473   8.052
  529    HB3  SER  65           1HB      SER  65   0.262  -5.253   9.118
  530    HG   SER  65           HG       SER  65   2.099  -7.295   9.688
  531    H    THR  66           H        THR  66  -2.359  -5.336   9.913
  532    HA   THR  66           HA       THR  66  -4.027  -5.522   7.473
  533    HB   THR  66           HB       THR  66  -4.777  -4.422  10.186
  534    HG1  THR  66           1HG      THR  66  -5.464  -6.371  10.728
  535   HG21  THR  66          3HG2      THR  66  -6.436  -5.257   7.817
  536   HG22  THR  66          1HG2      THR  66  -6.289  -3.636   8.495
  537   HG23  THR  66          2HG2      THR  66  -7.088  -4.910   9.417
  538    H    LEU  67           H        LEU  67  -3.952  -3.811   6.113
  539    HA   LEU  67           HA       LEU  67  -3.019  -1.168   7.040
  540    HB2  LEU  67           2HB      LEU  67  -3.217  -2.111   4.169
  541    HB3  LEU  67           1HB      LEU  67  -2.462  -0.655   4.771
  542    HG   LEU  67           HG       LEU  67  -0.886  -2.419   6.036
  543   HD11  LEU  67          1HD1      LEU  67  -0.419  -4.337   4.578
  544   HD12  LEU  67          2HD1      LEU  67  -1.896  -3.969   3.688
  545   HD13  LEU  67          3HD1      LEU  67  -1.981  -4.413   5.394
  546   HD21  LEU  67          3HD2      LEU  67   0.662  -2.324   4.097
  547   HD22  LEU  67          1HD2      LEU  67  -0.014  -0.758   4.548
  548   HD23  LEU  67          2HD2      LEU  67  -0.645  -1.619   3.144
  549    H    HIS  68           H        HIS  68  -4.235   0.687   6.247
  550    HA   HIS  68           HA       HIS  68  -7.067   0.077   5.644
  551    HB2  HIS  68           2HB      HIS  68  -5.801   2.414   7.089
  552    HB3  HIS  68           1HB      HIS  68  -7.500   2.340   6.673
  553    HD1  HIS  68           1HD      HIS  68  -4.937   0.826   8.941
  554    HD2  HIS  68           2HD      HIS  68  -9.051   0.748   8.379
  555    HE1  HIS  68           1HE      HIS  68  -5.860  -0.340  10.953
  556    H    LEU  69           H        LEU  69  -7.988   0.918   3.820
  557    HA   LEU  69           HA       LEU  69  -6.320   2.673   2.116
  558    HB2  LEU  69           2HB      LEU  69  -6.962   0.449   1.200
  559    HB3  LEU  69           1HB      LEU  69  -8.650   0.887   1.384
  560    HG   LEU  69           HG       LEU  69  -8.250   2.741  -0.253
  561   HD11  LEU  69          1HD1      LEU  69  -5.588   1.363  -0.540
  562   HD12  LEU  69          2HD1      LEU  69  -5.882   3.039  -0.073
  563   HD13  LEU  69          3HD1      LEU  69  -6.247   2.506  -1.712
  564   HD21  LEU  69          3HD2      LEU  69  -7.624  -0.000  -1.317
  565   HD22  LEU  69          1HD2      LEU  69  -8.389   1.331  -2.182
  566   HD23  LEU  69          2HD2      LEU  69  -9.238   0.538  -0.854
  567    H    VAL  70           H        VAL  70  -7.010   4.747   1.741
  568    HA   VAL  70           HA       VAL  70  -9.774   5.484   2.328
  569    HB   VAL  70           HB       VAL  70  -7.137   6.797   2.906
  570   HG11  VAL  70          1HG1      VAL  70  -8.333   8.617   1.789
  571   HG12  VAL  70          2HG1      VAL  70  -8.222   8.946   3.517
  572   HG13  VAL  70          3HG1      VAL  70  -9.732   8.353   2.829
  573   HG21  VAL  70          3HG2      VAL  70  -8.295   5.407   4.580
  574   HG22  VAL  70          1HG2      VAL  70  -9.512   6.681   4.692
  575   HG23  VAL  70          2HG2      VAL  70  -7.827   7.025   5.101
  576    H    LEU  71           H        LEU  71 -10.816   6.567   0.655
  577    HA   LEU  71           HA       LEU  71  -9.334   6.831  -1.870
  578    HB2  LEU  71           2HB      LEU  71 -12.318   6.783  -1.379
  579    HB3  LEU  71           1HB      LEU  71 -11.540   6.826  -2.952
  580    HG   LEU  71           HG       LEU  71 -11.152   4.555  -1.003
  581   HD11  LEU  71          1HD1      LEU  71 -13.060   4.648  -3.330
  582   HD12  LEU  71          2HD1      LEU  71 -13.535   4.804  -1.639
  583   HD13  LEU  71          3HD1      LEU  71 -12.800   3.306  -2.216
  584   HD21  LEU  71          3HD2      LEU  71 -10.579   4.889  -3.945
  585   HD22  LEU  71          1HD2      LEU  71 -10.475   3.356  -3.078
  586   HD23  LEU  71          2HD2      LEU  71  -9.408   4.691  -2.643
  587    H    ARG  72           H        ARG  72  -9.012   8.728  -2.890
  588    HA   ARG  72           HA       ARG  72  -9.976  11.190  -1.589
  589    HB2  ARG  72           2HB      ARG  72  -7.507  10.748  -2.047
  590    HB3  ARG  72           1HB      ARG  72  -7.879  10.946  -3.753
  591    HG2  ARG  72           2HG      ARG  72  -8.446  13.216  -3.476
  592    HG3  ARG  72           1HG      ARG  72  -8.534  13.061  -1.723
  593    HD2  ARG  72           2HD      ARG  72  -6.205  12.934  -1.498
  594    HD3  ARG  72           1HD      ARG  72  -5.965  12.575  -3.206
  595    HE   ARG  72           HE       ARG  72  -6.315  15.175  -1.995
  596   HH11  ARG  72          1HH1      ARG  72  -6.400  13.422  -5.079
  597   HH12  ARG  72          2HH1      ARG  72  -6.148  14.855  -6.009
  598   HH21  ARG  72          1HH2      ARG  72  -6.002  17.011  -3.270
  599   HH22  ARG  72          2HH2      ARG  72  -5.932  16.875  -4.995
  600    H    LEU  73           H        LEU  73 -11.658  12.274  -2.480
  601    HA   LEU  73           HA       LEU  73 -12.215  11.950  -5.377
  602    HB2  LEU  73           2HB      LEU  73 -14.161  12.305  -3.094
  603    HB3  LEU  73           1HB      LEU  73 -14.599  12.311  -4.789
  604    HG   LEU  73           HG       LEU  73 -13.291   9.941  -3.463
  605   HD11  LEU  73          1HD1      LEU  73 -16.236  10.351  -3.969
  606   HD12  LEU  73          2HD1      LEU  73 -15.462  10.475  -2.388
  607   HD13  LEU  73          3HD1      LEU  73 -15.466   8.937  -3.249
  608   HD21  LEU  73          3HD2      LEU  73 -13.112  10.106  -5.917
  609   HD22  LEU  73          1HD2      LEU  73 -14.874  10.172  -6.020
  610   HD23  LEU  73          2HD2      LEU  73 -14.077   8.729  -5.392
  611    H    ARG  74           H        ARG  74 -12.650  13.769  -6.575
  612    HA   ARG  74           HA       ARG  74 -12.043  16.352  -5.333
  613    HB2  ARG  74           2HB      ARG  74 -12.387  15.517  -8.217
  614    HB3  ARG  74           1HB      ARG  74 -12.041  17.161  -7.707
  615    HG2  ARG  74           2HG      ARG  74 -10.270  14.834  -7.012
  616    HG3  ARG  74           1HG      ARG  74 -10.074  15.794  -8.484
  617    HD2  ARG  74           2HD      ARG  74  -9.943  17.825  -6.983
  618    HD3  ARG  74           1HD      ARG  74  -9.827  16.707  -5.627
  619    HE   ARG  74           HE       ARG  74  -7.651  16.330  -6.178
  620   HH11  ARG  74          1HH1      ARG  74  -9.156  17.744  -9.064
  621   HH12  ARG  74          2HH1      ARG  74  -7.651  17.862  -9.905
  622   HH21  ARG  74          1HH2      ARG  74  -5.718  16.521  -7.329
  623   HH22  ARG  74          2HH2      ARG  74  -5.721  17.170  -8.936
  624    H    GLY  75           H        GLY  75 -13.350  18.299  -6.171
  625    HA2  GLY  75           2HA      GLY  75 -16.119  17.831  -6.864
  626    HA3  GLY  75           1HA      GLY  75 -15.897  18.347  -5.200
  627    H    GLY  76           H        GLY  76 -17.092  19.605  -7.771
  628    HA2  GLY  76           2HA      GLY  76 -15.459  21.914  -8.295
  629    HA3  GLY  76           1HA      GLY  76 -17.102  21.636  -8.864
  Start of MODEL   11
    1    H1   MET   1           1HT      MET   1   4.477 -13.653   1.055
    2    H2   MET   1           2HT      MET   1   5.840 -13.451   2.079
    3    H3   MET   1           3HT      MET   1   5.066 -12.084   1.393
    4    HA   MET   1           HA       MET   1   3.896 -13.973   3.300
    5    HB2  MET   1           2HB      MET   1   4.021 -12.046   4.878
    6    HB3  MET   1           1HB      MET   1   5.595 -12.615   4.369
    7    HG2  MET   1           2HG      MET   1   5.786 -10.737   2.825
    8    HG3  MET   1           1HG      MET   1   4.179 -10.187   3.300
    9    HE1  MET   1           2HE      MET   1   5.122  -7.550   5.590
   10    HE2  MET   1           3HE      MET   1   4.103  -8.224   4.317
   11    HE3  MET   1           1HE      MET   1   5.716  -7.623   3.930
   12    H    GLN   2           H        GLN   2   1.774 -13.407   4.043
   13    HA   GLN   2           HA       GLN   2   0.146 -11.964   2.053
   14    HB2  GLN   2           2HB      GLN   2  -0.615 -13.791   4.341
   15    HB3  GLN   2           1HB      GLN   2  -1.765 -13.006   3.267
   16    HG2  GLN   2           2HG      GLN   2  -0.796 -14.197   1.364
   17    HG3  GLN   2           1HG      GLN   2   0.343 -14.993   2.449
   18   HE21  GLN   2          1HE2      GLN   2  -2.399 -15.539   0.770
   19   HE22  GLN   2          2HE2      GLN   2  -3.147 -16.709   1.798
   20    H    ILE   3           H        ILE   3  -1.132 -10.214   2.526
   21    HA   ILE   3           HA       ILE   3  -1.096  -9.102   5.244
   22    HB   ILE   3           HB       ILE   3  -0.765  -6.838   4.396
   23   HG12  ILE   3          2HG1      ILE   3   0.127  -7.991   1.740
   24   HG13  ILE   3          1HG1      ILE   3  -1.520  -7.420   1.981
   25   HG21  ILE   3          1HG2      ILE   3   1.652  -7.052   3.898
   26   HG22  ILE   3          2HG2      ILE   3   1.428  -8.792   3.717
   27   HG23  ILE   3          3HG2      ILE   3   1.124  -8.021   5.274
   28   HD11  ILE   3          3HD1      ILE   3   0.855  -5.689   2.543
   29   HD12  ILE   3          1HD1      ILE   3  -0.826  -5.214   2.306
   30   HD13  ILE   3          2HD1      ILE   3   0.124  -5.805   0.941
   31    H    PHE   4           H        PHE   4  -2.956  -7.388   5.510
   32    HA   PHE   4           HA       PHE   4  -5.225  -8.022   3.728
   33    HB2  PHE   4           2HB      PHE   4  -5.229  -7.591   6.725
   34    HB3  PHE   4           1HB      PHE   4  -6.660  -7.794   5.737
   35    HD1  PHE   4           1HD      PHE   4  -7.147  -9.965   4.670
   36    HD2  PHE   4           2HD      PHE   4  -3.899  -9.481   7.379
   37    HE1  PHE   4           1HE      PHE   4  -7.013 -12.406   4.940
   38    HE2  PHE   4           2HE      PHE   4  -3.761 -11.922   7.653
   39    HZ   PHE   4           HZ       PHE   4  -5.318 -13.387   6.433
   40    H    VAL   5           H        VAL   5  -6.487  -6.302   3.040
   41    HA   VAL   5           HA       VAL   5  -5.807  -3.603   4.084
   42    HB   VAL   5           HB       VAL   5  -6.673  -4.204   1.235
   43   HG11  VAL   5          1HG1      VAL   5  -7.322  -1.951   2.108
   44   HG12  VAL   5          2HG1      VAL   5  -6.172  -1.870   0.775
   45   HG13  VAL   5          3HG1      VAL   5  -5.621  -1.626   2.433
   46   HG21  VAL   5          3HG2      VAL   5  -4.430  -5.031   1.515
   47   HG22  VAL   5          1HG2      VAL   5  -3.941  -3.563   2.365
   48   HG23  VAL   5          2HG2      VAL   5  -4.341  -3.501   0.645
   49    H    LYS   6           H        LYS   6  -7.519  -2.574   5.027
   50    HA   LYS   6           HA       LYS   6 -10.234  -3.638   4.607
   51    HB2  LYS   6           2HB      LYS   6  -8.859  -3.119   6.973
   52    HB3  LYS   6           1HB      LYS   6  -9.892  -1.705   6.829
   53    HG2  LYS   6           2HG      LYS   6 -11.854  -2.991   6.906
   54    HG3  LYS   6           1HG      LYS   6 -10.988  -4.485   6.555
   55    HD2  LYS   6           2HD      LYS   6 -11.522  -4.579   8.845
   56    HD3  LYS   6           1HD      LYS   6  -9.813  -4.179   8.773
   57    HE2  LYS   6           2HE      LYS   6 -10.604  -2.705  10.377
   58    HE3  LYS   6           1HE      LYS   6 -10.645  -1.712   8.921
   59    HZ1  LYS   6           3HZ      LYS   6 -12.683  -1.437  10.107
   60    HZ2  LYS   6           1HZ      LYS   6 -12.939  -3.107  10.189
   61    HZ3  LYS   6           2HZ      LYS   6 -13.018  -2.312   8.698
   62    H    THR   7           H        THR   7 -11.872  -2.383   3.798
   63    HA   THR   7           HA       THR   7 -11.149   0.307   2.873
   64    HB   THR   7           HB       THR   7 -12.842   0.110   1.196
   65    HG1  THR   7           1HG      THR   7 -14.476  -1.252   1.283
   66   HG21  THR   7          3HG2      THR   7 -10.841  -1.156   0.646
   67   HG22  THR   7          1HG2      THR   7 -12.293  -1.873  -0.053
   68   HG23  THR   7          2HG2      THR   7 -11.552  -2.596   1.374
   69    H    LEU   8           H        LEU   8 -12.811   2.024   2.886
   70    HA   LEU   8           HA       LEU   8 -13.849   2.390   5.482
   71    HB2  LEU   8           2HB      LEU   8 -14.604   3.887   2.982
   72    HB3  LEU   8           1HB      LEU   8 -14.958   4.414   4.618
   73    HG   LEU   8           HG       LEU   8 -12.165   3.940   3.622
   74   HD11  LEU   8          1HD1      LEU   8 -11.962   6.352   3.348
   75   HD12  LEU   8          2HD1      LEU   8 -13.669   6.548   3.746
   76   HD13  LEU   8          3HD1      LEU   8 -13.198   5.693   2.277
   77   HD21  LEU   8          3HD2      LEU   8 -12.411   3.871   6.040
   78   HD22  LEU   8          1HD2      LEU   8 -13.240   5.428   6.014
   79   HD23  LEU   8          2HD2      LEU   8 -11.541   5.325   5.550
   80    H    THR   9           H        THR   9 -15.306   0.558   3.052
   81    HA   THR   9           HA       THR   9 -18.064   0.944   4.020
   82    HB   THR   9           HB       THR   9 -18.812  -0.303   2.058
   83    HG1  THR   9           1HG      THR   9 -17.469  -1.346   0.767
   84   HG21  THR   9          3HG2      THR   9 -16.887   1.923   1.525
   85   HG22  THR   9          1HG2      THR   9 -18.648   1.912   1.406
   86   HG23  THR   9          2HG2      THR   9 -17.677   1.072   0.197
   87    H    GLY  10           H        GLY  10 -15.479  -1.237   4.598
   88    HA2  GLY  10           2HA      GLY  10 -15.811  -2.765   6.431
   89    HA3  GLY  10           1HA      GLY  10 -17.395  -3.151   5.793
   90    H    LYS  11           H        LYS  11 -14.877  -2.931   3.432
   91    HA   LYS  11           HA       LYS  11 -14.997  -5.833   3.146
   92    HB2  LYS  11           2HB      LYS  11 -15.503  -4.234   1.224
   93    HB3  LYS  11           1HB      LYS  11 -13.772  -3.973   1.113
   94    HG2  LYS  11           2HG      LYS  11 -13.421  -6.329   0.654
   95    HG3  LYS  11           1HG      LYS  11 -15.147  -6.641   0.850
   96    HD2  LYS  11           2HD      LYS  11 -15.557  -5.018  -1.020
   97    HD3  LYS  11           1HD      LYS  11 -13.813  -4.977  -1.280
   98    HE2  LYS  11           2HE      LYS  11 -13.769  -7.312  -1.805
   99    HE3  LYS  11           1HE      LYS  11 -15.456  -7.502  -1.328
  100    HZ1  LYS  11           3HZ      LYS  11 -14.431  -5.978  -3.662
  101    HZ2  LYS  11           1HZ      LYS  11 -16.048  -5.981  -3.165
  102    HZ3  LYS  11           2HZ      LYS  11 -15.325  -7.413  -3.698
  103    H    THR  12           H        THR  12 -13.220  -7.211   3.220
  104    HA   THR  12           HA       THR  12 -10.579  -5.991   3.779
  105    HB   THR  12           HB       THR  12 -11.530  -8.732   4.673
  106    HG1  THR  12           1HG      THR  12 -12.025  -7.853   6.602
  107   HG21  THR  12          3HG2      THR  12  -9.077  -8.474   4.581
  108   HG22  THR  12          1HG2      THR  12  -9.674  -8.683   6.228
  109   HG23  THR  12          2HG2      THR  12  -9.202  -7.082   5.657
  110    H    ILE  13           H        ILE  13  -9.082  -6.339   2.240
  111    HA   ILE  13           HA       ILE  13  -9.486  -8.545   0.305
  112    HB   ILE  13           HB       ILE  13  -7.577  -6.242  -0.213
  113   HG12  ILE  13          2HG1      ILE  13 -10.446  -6.198  -1.175
  114   HG13  ILE  13          1HG1      ILE  13  -9.916  -5.322   0.255
  115   HG21  ILE  13          1HG2      ILE  13  -7.417  -8.230  -1.615
  116   HG22  ILE  13          2HG2      ILE  13  -7.966  -6.839  -2.551
  117   HG23  ILE  13          3HG2      ILE  13  -9.119  -8.075  -2.048
  118   HD11  ILE  13          3HD1      ILE  13 -10.042  -3.926  -1.772
  119   HD12  ILE  13          1HD1      ILE  13  -8.777  -4.919  -2.497
  120   HD13  ILE  13          2HD1      ILE  13  -8.433  -3.970  -1.050
  121    H    THR  14           H        THR  14  -7.837 -10.065   0.011
  122    HA   THR  14           HA       THR  14  -5.547  -9.883   1.858
  123    HB   THR  14           HB       THR  14  -6.478 -12.362   0.390
  124    HG1  THR  14           1HG      THR  14  -8.206 -12.086   1.595
  125   HG21  THR  14          3HG2      THR  14  -5.325 -13.592   2.041
  126   HG22  THR  14          1HG2      THR  14  -5.056 -12.155   3.027
  127   HG23  THR  14          2HG2      THR  14  -4.219 -12.335   1.486
  128    H    LEU  15           H        LEU  15  -3.522  -9.656   1.049
  129    HA   LEU  15           HA       LEU  15  -3.156 -10.042  -1.864
  130    HB2  LEU  15           2HB      LEU  15  -1.933  -7.853  -0.181
  131    HB3  LEU  15           1HB      LEU  15  -1.647  -8.109  -1.890
  132    HG   LEU  15           HG       LEU  15  -4.363  -7.454  -0.744
  133   HD11  LEU  15          1HD1      LEU  15  -2.911  -5.594  -0.281
  134   HD12  LEU  15          2HD1      LEU  15  -3.967  -5.178  -1.630
  135   HD13  LEU  15          3HD1      LEU  15  -2.286  -5.621  -1.930
  136   HD21  LEU  15          3HD2      LEU  15  -4.309  -8.601  -2.942
  137   HD22  LEU  15          1HD2      LEU  15  -3.325  -7.280  -3.570
  138   HD23  LEU  15          2HD2      LEU  15  -4.972  -6.970  -3.023
  139    H    GLU  16           H        GLU  16  -1.207 -10.888  -2.562
  140    HA   GLU  16           HA       GLU  16   0.558 -12.040  -0.498
  141    HB2  GLU  16           2HB      GLU  16  -0.423 -13.527  -2.333
  142    HB3  GLU  16           1HB      GLU  16   0.584 -12.646  -3.473
  143    HG2  GLU  16           2HG      GLU  16   2.580 -13.412  -2.407
  144    HG3  GLU  16           1HG      GLU  16   1.657 -14.126  -1.085
  145    H    VAL  17           H        VAL  17   2.433 -10.924  -0.108
  146    HA   VAL  17           HA       VAL  17   3.616  -9.266  -2.248
  147    HB   VAL  17           HB       VAL  17   3.996  -7.439  -0.596
  148   HG11  VAL  17          1HG1      VAL  17   1.072  -8.073  -0.938
  149   HG12  VAL  17          2HG1      VAL  17   2.109  -7.476  -2.233
  150   HG13  VAL  17          3HG1      VAL  17   1.822  -6.483  -0.805
  151   HG21  VAL  17          3HG2      VAL  17   2.563  -7.372   1.443
  152   HG22  VAL  17          1HG2      VAL  17   3.798  -8.631   1.508
  153   HG23  VAL  17          2HG2      VAL  17   2.124  -9.056   1.152
  154    H    GLU  18           H        GLU  18   5.831  -8.451  -1.628
  155    HA   GLU  18           HA       GLU  18   7.296 -10.325   0.143
  156    HB2  GLU  18           2HB      GLU  18   8.240  -8.976  -2.416
  157    HB3  GLU  18           1HB      GLU  18   9.281  -9.861  -1.319
  158    HG2  GLU  18           2HG      GLU  18   8.792 -11.376  -3.035
  159    HG3  GLU  18           1HG      GLU  18   7.689 -11.833  -1.700
  160    HA   PRO  19           HA       PRO  19   8.172  -6.721   2.598
  161    HB2  PRO  19           2HB      PRO  19  10.992  -7.574   2.962
  162    HB3  PRO  19           1HB      PRO  19   9.733  -7.226   4.157
  163    HG2  PRO  19           2HG      PRO  19  10.472  -9.752   3.594
  164    HG3  PRO  19           1HG      PRO  19   8.798  -9.329   3.988
  165    HD2  PRO  19           2HD      PRO  19  10.010  -9.906   1.297
  166    HD3  PRO  19           1HD      PRO  19   8.414 -10.356   1.947
  167    H    SER  20           H        SER  20  10.396  -7.420  -0.054
  168    HA   SER  20           HA       SER  20  11.542  -4.757  -0.096
  169    HB2  SER  20           2HB      SER  20  12.605  -5.599  -2.240
  170    HB3  SER  20           1HB      SER  20  13.002  -6.500  -0.777
  171    HG   SER  20           HG       SER  20  11.365  -7.233  -2.934
  172    H    ASP  21           H        ASP  21   8.466  -5.769  -1.024
  173    HA   ASP  21           HA       ASP  21   8.246  -4.541  -3.604
  174    HB2  ASP  21           2HB      ASP  21   6.248  -5.541  -1.580
  175    HB3  ASP  21           1HB      ASP  21   5.712  -4.630  -2.982
  176    H    THR  22           H        THR  22   7.488  -2.484  -4.095
  177    HA   THR  22           HA       THR  22   7.703  -0.441  -2.037
  178    HB   THR  22           HB       THR  22   7.506   1.155  -3.866
  179    HG1  THR  22           1HG      THR  22   6.909   0.593  -5.832
  180   HG21  THR  22          3HG2      THR  22   9.481   0.677  -5.124
  181   HG22  THR  22          1HG2      THR  22   9.387  -1.033  -4.704
  182   HG23  THR  22          2HG2      THR  22   9.727   0.164  -3.455
  183    H    ILE  23           H        ILE  23   6.059   1.219  -1.714
  184    HA   ILE  23           HA       ILE  23   3.417   0.237  -1.313
  185    HB   ILE  23           HB       ILE  23   4.474   3.059  -1.388
  186   HG12  ILE  23          2HG1      ILE  23   5.494   1.690   0.329
  187   HG13  ILE  23          1HG1      ILE  23   4.465   2.905   1.066
  188   HG21  ILE  23          1HG2      ILE  23   2.079   3.181  -1.754
  189   HG22  ILE  23          2HG2      ILE  23   2.481   3.762  -0.138
  190   HG23  ILE  23          3HG2      ILE  23   1.796   2.151  -0.349
  191   HD11  ILE  23          3HD1      ILE  23   2.693   1.117   1.270
  192   HD12  ILE  23          1HD1      ILE  23   4.122   0.925   2.287
  193   HD13  ILE  23          2HD1      ILE  23   3.944  -0.043   0.823
  194    H    GLU  24           H        GLU  24   4.777   2.184  -4.013
  195    HA   GLU  24           HA       GLU  24   2.385   2.618  -5.496
  196    HB2  GLU  24           2HB      GLU  24   4.661   3.641  -5.982
  197    HB3  GLU  24           1HB      GLU  24   5.139   2.095  -6.666
  198    HG2  GLU  24           2HG      GLU  24   2.704   3.503  -7.700
  199    HG3  GLU  24           1HG      GLU  24   4.304   4.034  -8.201
  200    H    ASN  25           H        ASN  25   4.545  -0.219  -5.341
  201    HA   ASN  25           HA       ASN  25   3.203  -1.703  -7.429
  202    HB2  ASN  25           2HB      ASN  25   5.583  -2.125  -6.470
  203    HB3  ASN  25           1HB      ASN  25   4.757  -2.987  -5.177
  204   HD21  ASN  25          1HD2      ASN  25   5.545  -2.986  -8.603
  205   HD22  ASN  25          2HD2      ASN  25   5.096  -4.629  -8.887
  206    H    VAL  26           H        VAL  26   2.785  -1.551  -3.904
  207    HA   VAL  26           HA       VAL  26   0.776  -3.606  -3.735
  208    HB   VAL  26           HB       VAL  26   1.291  -1.231  -1.895
  209   HG11  VAL  26          1HG1      VAL  26  -0.970  -2.005  -1.504
  210   HG12  VAL  26          2HG1      VAL  26   0.058  -2.549  -0.179
  211   HG13  VAL  26          3HG1      VAL  26  -0.424  -3.682  -1.441
  212   HG21  VAL  26          3HG2      VAL  26   2.056  -4.106  -1.464
  213   HG22  VAL  26          1HG2      VAL  26   2.557  -2.691  -0.540
  214   HG23  VAL  26          2HG2      VAL  26   3.136  -2.915  -2.189
  215    H    LYS  27           H        LYS  27   0.536  -0.072  -4.321
  216    HA   LYS  27           HA       LYS  27  -2.295   0.050  -4.407
  217    HB2  LYS  27           2HB      LYS  27  -0.264   1.719  -5.928
  218    HB3  LYS  27           1HB      LYS  27  -1.976   2.087  -5.832
  219    HG2  LYS  27           2HG      LYS  27  -1.322   2.041  -3.170
  220    HG3  LYS  27           1HG      LYS  27   0.199   2.624  -3.904
  221    HD2  LYS  27           2HD      LYS  27  -1.292   4.266  -5.165
  222    HD3  LYS  27           1HD      LYS  27  -2.521   3.848  -3.971
  223    HE2  LYS  27           2HE      LYS  27   0.252   4.809  -3.269
  224    HE3  LYS  27           1HE      LYS  27  -1.148   5.873  -3.417
  225    HZ1  LYS  27           3HZ      LYS  27  -2.224   4.725  -1.631
  226    HZ2  LYS  27           1HZ      LYS  27  -0.677   5.175  -1.113
  227    HZ3  LYS  27           2HZ      LYS  27  -0.990   3.572  -1.549
  228    H    ALA  28           H        ALA  28   0.106  -0.710  -6.946
  229    HA   ALA  28           HA       ALA  28  -1.691  -0.779  -9.130
  230    HB1  ALA  28           1HB      ALA  28   0.879  -2.330  -8.809
  231    HB2  ALA  28           2HB      ALA  28   0.714  -0.712  -9.491
  232    HB3  ALA  28           3HB      ALA  28   0.004  -2.097 -10.322
  233    H    LYS  29           H        LYS  29  -0.765  -3.288  -6.787
  234    HA   LYS  29           HA       LYS  29  -2.219  -5.491  -7.977
  235    HB2  LYS  29           2HB      LYS  29  -1.281  -4.995  -5.140
  236    HB3  LYS  29           1HB      LYS  29  -2.063  -6.480  -5.662
  237    HG2  LYS  29           2HG      LYS  29  -0.259  -7.053  -7.077
  238    HG3  LYS  29           1HG      LYS  29   0.454  -5.445  -6.937
  239    HD2  LYS  29           2HD      LYS  29   1.084  -5.824  -4.678
  240    HD3  LYS  29           1HD      LYS  29   0.108  -7.290  -4.581
  241    HE2  LYS  29           2HE      LYS  29   2.411  -7.030  -6.499
  242    HE3  LYS  29           1HE      LYS  29   2.634  -7.569  -4.836
  243    HZ1  LYS  29           3HZ      LYS  29   0.956  -8.870  -6.910
  244    HZ2  LYS  29           1HZ      LYS  29   1.006  -9.347  -5.287
  245    HZ3  LYS  29           2HZ      LYS  29   2.393  -9.466  -6.247
  246    H    ILE  30           H        ILE  30  -3.123  -2.971  -5.621
  247    HA   ILE  30           HA       ILE  30  -5.761  -4.037  -5.118
  248    HB   ILE  30           HB       ILE  30  -4.598  -1.272  -4.653
  249   HG12  ILE  30          2HG1      ILE  30  -5.348  -3.535  -2.786
  250   HG13  ILE  30          1HG1      ILE  30  -3.717  -3.152  -3.313
  251   HG21  ILE  30          1HG2      ILE  30  -6.942  -0.846  -4.916
  252   HG22  ILE  30          2HG2      ILE  30  -6.648  -0.916  -3.179
  253   HG23  ILE  30          3HG2      ILE  30  -7.374  -2.293  -4.005
  254   HD11  ILE  30          3HD1      ILE  30  -5.421  -1.857  -1.282
  255   HD12  ILE  30          1HD1      ILE  30  -4.360  -0.805  -2.223
  256   HD13  ILE  30          2HD1      ILE  30  -3.679  -2.142  -1.296
  257    H    GLN  31           H        GLN  31  -4.488  -1.679  -7.511
  258    HA   GLN  31           HA       GLN  31  -6.956  -0.898  -8.719
  259    HB2  GLN  31           2HB      GLN  31  -4.765   0.212  -9.179
  260    HB3  GLN  31           1HB      GLN  31  -4.209  -1.248  -9.985
  261    HG2  GLN  31           2HG      GLN  31  -6.183  -0.848 -11.596
  262    HG3  GLN  31           1HG      GLN  31  -6.252   0.763 -10.887
  263   HE21  GLN  31          1HE2      GLN  31  -5.506  -0.299 -13.651
  264   HE22  GLN  31          2HE2      GLN  31  -3.980   0.446 -13.972
  265    H    ASP  32           H        ASP  32  -4.777  -3.634  -9.374
  266    HA   ASP  32           HA       ASP  32  -6.188  -4.732 -11.593
  267    HB2  ASP  32           2HB      ASP  32  -3.823  -5.326 -10.827
  268    HB3  ASP  32           1HB      ASP  32  -4.577  -6.319  -9.586
  269    H    LYS  33           H        LYS  33  -6.523  -5.405  -8.100
  270    HA   LYS  33           HA       LYS  33  -8.532  -7.449  -8.517
  271    HB2  LYS  33           2HB      LYS  33  -7.782  -6.015  -5.969
  272    HB3  LYS  33           1HB      LYS  33  -8.679  -7.515  -6.071
  273    HG2  LYS  33           2HG      LYS  33  -6.271  -8.052  -7.412
  274    HG3  LYS  33           1HG      LYS  33  -5.806  -7.071  -6.024
  275    HD2  LYS  33           2HD      LYS  33  -7.093  -8.649  -4.573
  276    HD3  LYS  33           1HD      LYS  33  -7.356  -9.657  -5.992
  277    HE2  LYS  33           2HE      LYS  33  -4.536  -8.926  -5.397
  278    HE3  LYS  33           1HE      LYS  33  -5.332 -10.020  -4.267
  279    HZ1  LYS  33           3HZ      LYS  33  -4.175 -11.183  -6.071
  280    HZ2  LYS  33           1HZ      LYS  33  -5.193 -10.442  -7.203
  281    HZ3  LYS  33           2HZ      LYS  33  -5.833 -11.514  -6.062
  282    H    GLU  34           H        GLU  34  -8.698  -4.056  -7.404
  283    HA   GLU  34           HA       GLU  34 -11.649  -4.281  -7.393
  284    HB2  GLU  34           2HB      GLU  34  -9.773  -2.594  -5.769
  285    HB3  GLU  34           1HB      GLU  34 -11.522  -2.373  -5.765
  286    HG2  GLU  34           2HG      GLU  34 -10.281  -5.036  -5.242
  287    HG3  GLU  34           1HG      GLU  34 -10.439  -3.843  -3.925
  288    H    GLY  35           H        GLY  35  -9.283  -2.750  -9.310
  289    HA2  GLY  35           2HA      GLY  35  -9.586  -1.342 -11.074
  290    HA3  GLY  35           1HA      GLY  35 -11.285  -1.258 -10.679
  291    H    ILE  36           H        ILE  36  -9.260  -0.292  -8.073
  292    HA   ILE  36           HA       ILE  36 -10.078   2.490  -8.359
  293    HB   ILE  36           HB       ILE  36  -8.340   1.290  -6.180
  294   HG12  ILE  36          2HG1      ILE  36 -11.292   1.740  -5.757
  295   HG13  ILE  36          1HG1      ILE  36 -10.762   0.257  -6.534
  296   HG21  ILE  36          1HG2      ILE  36  -8.966   3.184  -4.845
  297   HG22  ILE  36          2HG2      ILE  36 -10.133   3.719  -6.052
  298   HG23  ILE  36          3HG2      ILE  36  -8.408   3.791  -6.405
  299   HD11  ILE  36          3HD1      ILE  36 -10.995  -0.224  -4.248
  300   HD12  ILE  36          1HD1      ILE  36 -10.098   1.219  -3.776
  301   HD13  ILE  36          2HD1      ILE  36  -9.262  -0.122  -4.559
  302    HA   PRO  37           HA       PRO  37  -6.077   3.344 -10.395
  303    HB2  PRO  37           2HB      PRO  37  -6.745   6.229 -10.089
  304    HB3  PRO  37           1HB      PRO  37  -6.435   5.302 -11.562
  305    HG2  PRO  37           2HG      PRO  37  -8.893   6.147 -10.927
  306    HG3  PRO  37           1HG      PRO  37  -8.623   4.590 -11.729
  307    HD2  PRO  37           2HD      PRO  37  -9.167   5.149  -8.827
  308    HD3  PRO  37           1HD      PRO  37  -9.851   3.895  -9.883
  309    HA   PRO  38           HA       PRO  38  -3.503   3.987  -6.824
  310    HB2  PRO  38           2HB      PRO  38  -1.430   5.158  -8.665
  311    HB3  PRO  38           1HB      PRO  38  -1.284   3.806  -7.536
  312    HG2  PRO  38           2HG      PRO  38  -1.437   3.377 -10.148
  313    HG3  PRO  38           1HG      PRO  38  -2.265   2.306  -9.004
  314    HD2  PRO  38           2HD      PRO  38  -3.397   4.498 -10.709
  315    HD3  PRO  38           1HD      PRO  38  -4.055   2.886 -10.358
  316    H    ASP  39           H        ASP  39  -3.823   6.747  -9.044
  317    HA   ASP  39           HA       ASP  39  -2.787   8.642  -7.229
  318    HB2  ASP  39           2HB      ASP  39  -3.067   8.914  -9.752
  319    HB3  ASP  39           1HB      ASP  39  -4.748   9.309  -9.425
  320    H    GLN  40           H        GLN  40  -5.896   7.084  -7.241
  321    HA   GLN  40           HA       GLN  40  -7.121   9.186  -5.596
  322    HB2  GLN  40           2HB      GLN  40  -8.293   6.740  -6.926
  323    HB3  GLN  40           1HB      GLN  40  -9.200   7.820  -5.880
  324    HG2  GLN  40           2HG      GLN  40  -8.499   9.673  -7.489
  325    HG3  GLN  40           1HG      GLN  40  -8.020   8.369  -8.575
  326   HE21  GLN  40          1HE2      GLN  40 -10.590  10.341  -7.551
  327   HE22  GLN  40          2HE2      GLN  40 -11.869   9.473  -8.324
  328    H    GLN  41           H        GLN  41  -5.238   6.461  -5.054
  329    HA   GLN  41           HA       GLN  41  -6.712   5.493  -2.690
  330    HB2  GLN  41           2HB      GLN  41  -4.499   4.385  -4.387
  331    HB3  GLN  41           1HB      GLN  41  -4.878   3.686  -2.818
  332    HG2  GLN  41           2HG      GLN  41  -7.239   3.418  -3.642
  333    HG3  GLN  41           1HG      GLN  41  -6.641   3.856  -5.242
  334   HE21  GLN  41          1HE2      GLN  41  -6.082   2.181  -6.520
  335   HE22  GLN  41          2HE2      GLN  41  -5.601   0.621  -5.955
  336    H    ARG  42           H        ARG  42  -6.029   5.755  -0.614
  337    HA   ARG  42           HA       ARG  42  -3.301   6.725  -0.138
  338    HB2  ARG  42           2HB      ARG  42  -5.814   7.497   1.379
  339    HB3  ARG  42           1HB      ARG  42  -4.186   7.899   1.902
  340    HG2  ARG  42           2HG      ARG  42  -3.873   9.236  -0.123
  341    HG3  ARG  42           1HG      ARG  42  -5.517   8.840  -0.626
  342    HD2  ARG  42           2HD      ARG  42  -6.463  10.036   1.176
  343    HD3  ARG  42           1HD      ARG  42  -4.914  10.161   2.007
  344    HE   ARG  42           HE       ARG  42  -4.997  11.470  -0.572
  345   HH11  ARG  42          1HH1      ARG  42  -5.554  11.968   2.901
  346   HH12  ARG  42          2HH1      ARG  42  -5.345  13.679   2.782
  347   HH21  ARG  42          1HH2      ARG  42  -4.738  13.713  -0.651
  348   HH22  ARG  42          2HH2      ARG  42  -4.884  14.660   0.791
  349    H    LEU  43           H        LEU  43  -2.138   5.370   1.200
  350    HA   LEU  43           HA       LEU  43  -3.634   3.234   2.596
  351    HB2  LEU  43           2HB      LEU  43  -0.820   3.280   1.487
  352    HB3  LEU  43           1HB      LEU  43  -1.501   1.992   2.468
  353    HG   LEU  43           HG       LEU  43  -2.623   2.820  -0.214
  354   HD11  LEU  43          1HD1      LEU  43  -0.858   0.456   0.403
  355   HD12  LEU  43          2HD1      LEU  43  -0.310   1.936  -0.383
  356   HD13  LEU  43          3HD1      LEU  43  -1.516   0.916  -1.167
  357   HD21  LEU  43          3HD2      LEU  43  -4.265   1.723   1.164
  358   HD22  LEU  43          1HD2      LEU  43  -3.126   0.440   1.573
  359   HD23  LEU  43          2HD2      LEU  43  -3.724   0.596  -0.079
  360    H    ILE  44           H        ILE  44  -3.511   3.040   4.746
  361    HA   ILE  44           HA       ILE  44  -1.498   4.608   6.254
  362    HB   ILE  44           HB       ILE  44  -4.476   4.369   6.672
  363   HG12  ILE  44          2HG1      ILE  44  -3.806   6.962   7.180
  364   HG13  ILE  44          1HG1      ILE  44  -2.533   6.564   6.047
  365   HG21  ILE  44          1HG2      ILE  44  -3.660   3.889   8.867
  366   HG22  ILE  44          2HG2      ILE  44  -4.138   5.586   8.861
  367   HG23  ILE  44          3HG2      ILE  44  -2.432   5.152   8.759
  368   HD11  ILE  44          3HD1      ILE  44  -5.336   7.083   5.560
  369   HD12  ILE  44          1HD1      ILE  44  -4.769   5.610   4.768
  370   HD13  ILE  44          2HD1      ILE  44  -3.947   7.143   4.473
  371    H    PHE  45           H        PHE  45  -0.461   3.605   7.870
  372    HA   PHE  45           HA       PHE  45  -1.421   1.017   8.884
  373    HB2  PHE  45           2HB      PHE  45   0.313   0.550   7.165
  374    HB3  PHE  45           1HB      PHE  45   1.446   1.571   8.035
  375    HD1  PHE  45           1HD      PHE  45  -0.796  -1.348   8.700
  376    HD2  PHE  45           2HD      PHE  45   2.989   0.475   9.396
  377    HE1  PHE  45           1HE      PHE  45  -0.102  -3.297  10.030
  378    HE2  PHE  45           2HE      PHE  45   3.688  -1.473  10.723
  379    HZ   PHE  45           HZ       PHE  45   2.141  -3.361  11.044
  380    H    ALA  46           H        ALA  46  -1.472   1.086  11.136
  381    HA   ALA  46           HA       ALA  46  -1.287   1.946  13.252
  382    HB1  ALA  46           1HB      ALA  46   0.884   1.871  14.144
  383    HB2  ALA  46           2HB      ALA  46   1.625   2.325  12.611
  384    HB3  ALA  46           3HB      ALA  46   0.898   0.730  12.800
  385    H    GLY  47           H        GLY  47  -2.330   3.885  11.644
  386    HA2  GLY  47           2HA      GLY  47  -2.887   6.097  11.771
  387    HA3  GLY  47           1HA      GLY  47  -1.725   6.270  13.066
  388    H    LYS  48           H        LYS  48  -0.018   5.090  10.389
  389    HA   LYS  48           HA       LYS  48   0.802   7.827   9.611
  390    HB2  LYS  48           2HB      LYS  48   2.452   5.333   9.245
  391    HB3  LYS  48           1HB      LYS  48   3.001   6.989   9.142
  392    HG2  LYS  48           2HG      LYS  48   2.773   7.285  11.521
  393    HG3  LYS  48           1HG      LYS  48   2.037   5.691  11.685
  394    HD2  LYS  48           2HD      LYS  48   4.807   6.077  10.566
  395    HD3  LYS  48           1HD      LYS  48   4.506   5.904  12.294
  396    HE2  LYS  48           2HE      LYS  48   3.282   3.752  11.714
  397    HE3  LYS  48           1HE      LYS  48   3.982   3.910  10.104
  398    HZ1  LYS  48           3HZ      LYS  48   6.192   3.947  11.165
  399    HZ2  LYS  48           1HZ      LYS  48   5.361   2.497  11.431
  400    HZ3  LYS  48           2HZ      LYS  48   5.463   3.652  12.663
  401    H    GLN  49           H        GLN  49   0.829   8.481   7.485
  402    HA   GLN  49           HA       GLN  49  -0.483   6.778   5.519
  403    HB2  GLN  49           2HB      GLN  49   0.651   9.582   5.374
  404    HB3  GLN  49           1HB      GLN  49  -0.031   8.756   3.979
  405    HG2  GLN  49           2HG      GLN  49  -2.180   8.695   4.936
  406    HG3  GLN  49           1HG      GLN  49  -1.568   9.165   6.521
  407   HE21  GLN  49          1HE2      GLN  49  -2.317  10.305   3.264
  408   HE22  GLN  49          2HE2      GLN  49  -2.327  11.984   3.671
  409    H    LEU  50           H        LEU  50   0.591   5.499   4.028
  410    HA   LEU  50           HA       LEU  50   3.488   5.335   4.151
  411    HB2  LEU  50           2HB      LEU  50   1.654   3.683   2.420
  412    HB3  LEU  50           1HB      LEU  50   3.300   3.325   2.881
  413    HG   LEU  50           HG       LEU  50   0.955   3.420   4.779
  414   HD11  LEU  50          1HD1      LEU  50   2.381   1.052   3.579
  415   HD12  LEU  50          2HD1      LEU  50   0.731   1.568   3.235
  416   HD13  LEU  50          3HD1      LEU  50   1.152   0.973   4.840
  417   HD21  LEU  50          3HD2      LEU  50   2.399   2.575   6.459
  418   HD22  LEU  50          1HD2      LEU  50   3.259   3.922   5.717
  419   HD23  LEU  50          2HD2      LEU  50   3.689   2.263   5.299
  420    H    GLU  51           H        GLU  51   4.951   5.952   2.582
  421    HA   GLU  51           HA       GLU  51   3.936   7.548   0.346
  422    HB2  GLU  51           2HB      GLU  51   6.714   7.152   1.474
  423    HB3  GLU  51           1HB      GLU  51   6.390   8.107   0.032
  424    HG2  GLU  51           2HG      GLU  51   5.285   9.761   1.191
  425    HG3  GLU  51           1HG      GLU  51   4.972   8.736   2.591
  426    H    ASP  52           H        ASP  52   4.296   7.212  -1.829
  427    HA   ASP  52           HA       ASP  52   4.337   4.549  -2.717
  428    HB2  ASP  52           2HB      ASP  52   4.654   7.122  -4.265
  429    HB3  ASP  52           1HB      ASP  52   4.497   5.535  -5.015
  430    H    GLY  53           H        GLY  53   7.046   6.781  -2.366
  431    HA2  GLY  53           2HA      GLY  53   8.826   5.135  -3.973
  432    HA3  GLY  53           1HA      GLY  53   9.258   6.574  -3.073
  433    H    ARG  54           H        ARG  54   7.676   4.626  -0.846
  434    HA   ARG  54           HA       ARG  54  10.240   3.482   0.113
  435    HB2  ARG  54           2HB      ARG  54   7.676   4.037   1.632
  436    HB3  ARG  54           1HB      ARG  54   9.131   3.348   2.324
  437    HG2  ARG  54           2HG      ARG  54   8.750   6.164   1.303
  438    HG3  ARG  54           1HG      ARG  54   8.979   5.633   2.956
  439    HD2  ARG  54           2HD      ARG  54  11.248   4.915   2.460
  440    HD3  ARG  54           1HD      ARG  54  11.043   5.364   0.768
  441    HE   ARG  54           HE       ARG  54  10.548   7.691   2.007
  442   HH11  ARG  54          1HH1      ARG  54  13.278   5.456   2.431
  443   HH12  ARG  54          2HH1      ARG  54  14.355   6.719   2.912
  444   HH21  ARG  54          1HH2      ARG  54  12.011   9.287   2.641
  445   HH22  ARG  54          2HH2      ARG  54  13.646   8.870   3.030
  446    H    THR  55           H        THR  55  10.077   1.391   1.327
  447    HA   THR  55           HA       THR  55   8.308  -0.512  -0.105
  448    HB   THR  55           HB       THR  55   9.870  -2.262   0.470
  449    HG1  THR  55           1HG      THR  55  11.580  -1.968   1.772
  450   HG21  THR  55          3HG2      THR  55  11.807  -1.680  -0.786
  451   HG22  THR  55          1HG2      THR  55  11.506   0.041  -0.550
  452   HG23  THR  55          2HG2      THR  55  10.405  -0.920  -1.536
  453    H    LEU  56           H        LEU  56   7.623  -2.444   1.104
  454    HA   LEU  56           HA       LEU  56   6.127  -1.852   3.423
  455    HB2  LEU  56           2HB      LEU  56   7.038  -4.544   2.409
  456    HB3  LEU  56           1HB      LEU  56   5.805  -4.293   3.634
  457    HG   LEU  56           HG       LEU  56   5.603  -3.385   0.759
  458   HD11  LEU  56          1HD1      LEU  56   3.952  -5.198   0.548
  459   HD12  LEU  56          2HD1      LEU  56   4.368  -5.741   2.173
  460   HD13  LEU  56          3HD1      LEU  56   5.577  -5.793   0.890
  461   HD21  LEU  56          3HD2      LEU  56   4.249  -1.944   2.071
  462   HD22  LEU  56          1HD2      LEU  56   3.692  -3.271   3.090
  463   HD23  LEU  56          2HD2      LEU  56   3.150  -3.156   1.416
  464    H    SER  57           H        SER  57   9.378  -3.284   3.198
  465    HA   SER  57           HA       SER  57   9.576  -4.029   5.946
  466    HB2  SER  57           2HB      SER  57  11.964  -4.291   5.596
  467    HB3  SER  57           1HB      SER  57  11.052  -5.036   4.255
  468    HG   SER  57           HG       SER  57  12.604  -2.688   4.289
  469    H    ASP  58           H        ASP  58  10.225  -0.993   4.234
  470    HA   ASP  58           HA       ASP  58  11.766   0.302   6.226
  471    HB2  ASP  58           2HB      ASP  58   9.873   1.509   4.190
  472    HB3  ASP  58           1HB      ASP  58  10.991   2.438   5.175
  473    H    TYR  59           H        TYR  59   8.290  -0.230   6.036
  474    HA   TYR  59           HA       TYR  59   7.810   1.481   8.388
  475    HB2  TYR  59           2HB      TYR  59   5.953   0.157   6.390
  476    HB3  TYR  59           1HB      TYR  59   5.365   0.919   7.866
  477    HD1  TYR  59           1HD      TYR  59   5.747   3.367   8.219
  478    HD2  TYR  59           2HD      TYR  59   6.533   1.482   4.486
  479    HE1  TYR  59           1HE      TYR  59   5.735   5.563   7.114
  480    HE2  TYR  59           2HE      TYR  59   6.522   3.673   3.371
  481    HH   TYR  59           HH       TYR  59   5.258   6.383   4.634
  482    H    ASN  60           H        ASN  60   8.946  -1.539   8.144
  483    HA   ASN  60           HA       ASN  60   8.928  -3.437   9.328
  484    HB2  ASN  60           2HB      ASN  60   7.921  -1.490  11.404
  485    HB3  ASN  60           1HB      ASN  60   8.253  -3.175  11.794
  486   HD21  ASN  60          1HD2      ASN  60   9.624  -0.054  11.174
  487   HD22  ASN  60          2HD2      ASN  60  11.273  -0.510  11.414
  488    H    ILE  61           H        ILE  61   6.741  -3.239   7.578
  489    HA   ILE  61           HA       ILE  61   4.382  -4.217   8.982
  490    HB   ILE  61           HB       ILE  61   4.901  -3.941   5.996
  491   HG12  ILE  61          2HG1      ILE  61   3.123  -2.256   7.768
  492   HG13  ILE  61          1HG1      ILE  61   4.781  -1.814   7.396
  493   HG21  ILE  61          1HG2      ILE  61   2.309  -4.541   7.444
  494   HG22  ILE  61          2HG2      ILE  61   3.214  -5.668   6.435
  495   HG23  ILE  61          3HG2      ILE  61   2.472  -4.242   5.712
  496   HD11  ILE  61          3HD1      ILE  61   3.327  -0.586   5.962
  497   HD12  ILE  61          1HD1      ILE  61   2.494  -2.057   5.460
  498   HD13  ILE  61          2HD1      ILE  61   4.172  -1.788   4.987
  499    H    GLN  62           H        GLN  62   4.054  -6.295   9.482
  500    HA   GLN  62           HA       GLN  62   5.793  -8.399   8.325
  501    HB2  GLN  62           2HB      GLN  62   4.476  -8.080  11.028
  502    HB3  GLN  62           1HB      GLN  62   5.295  -9.551  10.516
  503    HG2  GLN  62           2HG      GLN  62   7.390  -8.462  10.419
  504    HG3  GLN  62           1HG      GLN  62   6.648  -6.872  10.590
  505   HE21  GLN  62          1HE2      GLN  62   6.908  -6.005  12.568
  506   HE22  GLN  62          2HE2      GLN  62   7.010  -6.903  14.040
  507    H    LYS  63           H        LYS  63   4.793 -10.673   8.544
  508    HA   LYS  63           HA       LYS  63   2.617 -10.940   6.878
  509    HB2  LYS  63           2HB      LYS  63   2.378 -13.283   7.660
  510    HB3  LYS  63           1HB      LYS  63   4.032 -12.851   7.246
  511    HG2  LYS  63           2HG      LYS  63   4.548 -12.558   9.624
  512    HG3  LYS  63           1HG      LYS  63   2.902 -13.053  10.028
  513    HD2  LYS  63           2HD      LYS  63   3.265 -15.238   9.122
  514    HD3  LYS  63           1HD      LYS  63   4.825 -14.757   8.451
  515    HE2  LYS  63           2HE      LYS  63   5.734 -14.475  10.673
  516    HE3  LYS  63           1HE      LYS  63   4.161 -14.819  11.393
  517    HZ1  LYS  63           3HZ      LYS  63   5.666 -16.747   9.712
  518    HZ2  LYS  63           1HZ      LYS  63   4.270 -17.052  10.618
  519    HZ3  LYS  63           2HZ      LYS  63   5.731 -16.721  11.402
  520    H    GLU  64           H        GLU  64   0.401 -11.231   7.041
  521    HA   GLU  64           HA       GLU  64  -1.708 -11.041   7.825
  522    HB2  GLU  64           2HB      GLU  64  -0.579 -11.911  10.487
  523    HB3  GLU  64           1HB      GLU  64  -2.290 -11.776  10.102
  524    HG2  GLU  64           2HG      GLU  64  -1.753 -13.423   8.186
  525    HG3  GLU  64           1HG      GLU  64  -0.282 -13.762   9.102
  526    H    SER  65           H        SER  65   0.241  -8.643   8.182
  527    HA   SER  65           HA       SER  65  -1.037  -7.077  10.276
  528    HB2  SER  65           2HB      SER  65   0.890  -6.408   8.043
  529    HB3  SER  65           1HB      SER  65   0.210  -5.176   9.103
  530    HG   SER  65           HG       SER  65   1.715  -5.714  10.468
  531    H    THR  66           H        THR  66  -2.431  -5.256   9.921
  532    HA   THR  66           HA       THR  66  -4.099  -5.442   7.481
  533    HB   THR  66           HB       THR  66  -4.860  -4.330  10.185
  534    HG1  THR  66           1HG      THR  66  -5.293  -6.944   9.143
  535   HG21  THR  66          3HG2      THR  66  -7.183  -5.023   9.291
  536   HG22  THR  66          1HG2      THR  66  -6.415  -4.973   7.704
  537   HG23  THR  66          2HG2      THR  66  -6.462  -3.524   8.707
  538    H    LEU  67           H        LEU  67  -4.032  -3.744   6.117
  539    HA   LEU  67           HA       LEU  67  -3.072  -1.108   7.030
  540    HB2  LEU  67           2HB      LEU  67  -3.286  -2.078   4.169
  541    HB3  LEU  67           1HB      LEU  67  -2.521  -0.613   4.750
  542    HG   LEU  67           HG       LEU  67  -0.948  -2.366   6.034
  543   HD11  LEU  67          1HD1      LEU  67  -0.500  -4.312   4.597
  544   HD12  LEU  67          2HD1      LEU  67  -1.978  -3.945   3.706
  545   HD13  LEU  67          3HD1      LEU  67  -2.061  -4.368   5.416
  546   HD21  LEU  67          3HD2      LEU  67  -0.723  -1.594   3.136
  547   HD22  LEU  67          1HD2      LEU  67   0.584  -2.314   4.079
  548   HD23  LEU  67          2HD2      LEU  67  -0.066  -0.738   4.531
  549    H    HIS  68           H        HIS  68  -4.284   0.757   6.224
  550    HA   HIS  68           HA       HIS  68  -7.117   0.154   5.629
  551    HB2  HIS  68           2HB      HIS  68  -5.837   2.486   7.076
  552    HB3  HIS  68           1HB      HIS  68  -7.540   2.418   6.655
  553    HD1  HIS  68           1HD      HIS  68  -4.985   0.786   8.883
  554    HD2  HIS  68           2HD      HIS  68  -9.109   0.937   8.405
  555    HE1  HIS  68           1HE      HIS  68  -5.934  -0.354  10.908
  556    H    LEU  69           H        LEU  69  -8.043   0.987   3.810
  557    HA   LEU  69           HA       LEU  69  -6.378   2.736   2.090
  558    HB2  LEU  69           2HB      LEU  69  -7.047   0.499   1.195
  559    HB3  LEU  69           1HB      LEU  69  -8.725   0.964   1.376
  560    HG   LEU  69           HG       LEU  69  -8.292   2.802  -0.274
  561   HD11  LEU  69          1HD1      LEU  69  -5.673   1.363  -0.613
  562   HD12  LEU  69          2HD1      LEU  69  -5.900   3.016  -0.041
  563   HD13  LEU  69          3HD1      LEU  69  -6.303   2.595  -1.705
  564   HD21  LEU  69          3HD2      LEU  69  -8.300   1.324  -2.232
  565   HD22  LEU  69          1HD2      LEU  69  -9.372   0.744  -0.957
  566   HD23  LEU  69          2HD2      LEU  69  -7.800  -0.019  -1.202
  567    H    VAL  70           H        VAL  70  -7.074   4.801   1.692
  568    HA   VAL  70           HA       VAL  70  -9.844   5.546   2.262
  569    HB   VAL  70           HB       VAL  70  -7.221   6.862   2.874
  570   HG11  VAL  70          1HG1      VAL  70  -9.826   8.404   2.724
  571   HG12  VAL  70          2HG1      VAL  70  -8.388   8.693   1.746
  572   HG13  VAL  70          3HG1      VAL  70  -8.351   9.006   3.480
  573   HG21  VAL  70          3HG2      VAL  70  -9.671   6.555   4.540
  574   HG22  VAL  70          1HG2      VAL  70  -8.114   7.204   5.060
  575   HG23  VAL  70          2HG2      VAL  70  -8.241   5.519   4.560
  576    H    LEU  71           H        LEU  71 -10.860   6.746   0.626
  577    HA   LEU  71           HA       LEU  71  -9.392   6.968  -1.915
  578    HB2  LEU  71           2HB      LEU  71 -12.368   6.961  -1.402
  579    HB3  LEU  71           1HB      LEU  71 -11.609   7.035  -2.981
  580    HG   LEU  71           HG       LEU  71 -11.222   4.710  -1.098
  581   HD11  LEU  71          1HD1      LEU  71 -13.194   4.926  -3.368
  582   HD12  LEU  71          2HD1      LEU  71 -13.609   4.962  -1.654
  583   HD13  LEU  71          3HD1      LEU  71 -12.899   3.509  -2.359
  584   HD21  LEU  71          3HD2      LEU  71 -10.483   3.547  -3.094
  585   HD22  LEU  71          1HD2      LEU  71  -9.527   5.009  -2.851
  586   HD23  LEU  71          2HD2      LEU  71 -10.799   4.980  -4.072
  587    H    ARG  72           H        ARG  72  -8.990   8.874  -2.876
  588    HA   ARG  72           HA       ARG  72  -9.917  11.337  -1.559
  589    HB2  ARG  72           2HB      ARG  72  -7.456  10.849  -2.034
  590    HB3  ARG  72           1HB      ARG  72  -7.833  11.095  -3.733
  591    HG2  ARG  72           2HG      ARG  72  -8.641  13.373  -3.165
  592    HG3  ARG  72           1HG      ARG  72  -8.093  13.107  -1.508
  593    HD2  ARG  72           2HD      ARG  72  -5.821  12.844  -2.247
  594    HD3  ARG  72           1HD      ARG  72  -6.319  12.916  -3.935
  595    HE   ARG  72           HE       ARG  72  -5.884  15.123  -2.163
  596   HH11  ARG  72          1HH1      ARG  72  -7.673  14.188  -5.083
  597   HH12  ARG  72          2HH1      ARG  72  -7.823  15.822  -5.627
  598   HH21  ARG  72          1HH2      ARG  72  -6.118  17.235  -2.931
  599   HH22  ARG  72          2HH2      ARG  72  -6.950  17.536  -4.420
  600    H    LEU  73           H        LEU  73 -11.636  12.384  -2.405
  601    HA   LEU  73           HA       LEU  73 -11.900  12.717  -5.282
  602    HB2  LEU  73           2HB      LEU  73 -13.069  10.525  -4.465
  603    HB3  LEU  73           1HB      LEU  73 -14.309  11.607  -3.867
  604    HG   LEU  73           HG       LEU  73 -13.403  11.571  -6.748
  605   HD11  LEU  73          1HD1      LEU  73 -15.367  10.251  -7.249
  606   HD12  LEU  73          2HD1      LEU  73 -15.800  10.197  -5.540
  607   HD13  LEU  73          3HD1      LEU  73 -14.340   9.386  -6.106
  608   HD21  LEU  73          3HD2      LEU  73 -15.659  12.655  -7.058
  609   HD22  LEU  73          1HD2      LEU  73 -14.454  13.632  -6.218
  610   HD23  LEU  73          2HD2      LEU  73 -15.727  12.826  -5.303
  611    H    ARG  74           H        ARG  74 -12.014  14.898  -5.347
  612    HA   ARG  74           HA       ARG  74 -14.262  16.243  -4.086
  613    HB2  ARG  74           2HB      ARG  74 -11.401  16.878  -3.359
  614    HB3  ARG  74           1HB      ARG  74 -12.720  18.014  -3.106
  615    HG2  ARG  74           2HG      ARG  74 -13.845  16.252  -1.721
  616    HG3  ARG  74           1HG      ARG  74 -12.355  15.313  -1.837
  617    HD2  ARG  74           2HD      ARG  74 -12.420  18.141  -0.809
  618    HD3  ARG  74           1HD      ARG  74 -12.643  16.741   0.240
  619    HE   ARG  74           HE       ARG  74 -10.184  17.659  -0.949
  620   HH11  ARG  74          1HH1      ARG  74 -11.752  14.826   0.505
  621   HH12  ARG  74          2HH1      ARG  74 -10.245  14.080   0.907
  622   HH21  ARG  74          1HH2      ARG  74  -8.249  16.626  -0.396
  623   HH22  ARG  74          2HH2      ARG  74  -8.278  15.090   0.405
  624    H    GLY  75           H        GLY  75 -15.132  17.398  -5.709
  625    HA2  GLY  75           2HA      GLY  75 -13.604  19.356  -7.149
  626    HA3  GLY  75           1HA      GLY  75 -14.020  17.984  -8.161
  627    H    GLY  76           H        GLY  76 -14.893  21.004  -7.820
  628    HA2  GLY  76           2HA      GLY  76 -17.729  20.844  -7.356
  629    HA3  GLY  76           1HA      GLY  76 -16.837  22.244  -7.935
  Start of MODEL   12
    1    H1   MET   1           1HT      MET   1   4.987 -12.155   1.328
    2    H2   MET   1           2HT      MET   1   4.435 -13.748   1.036
    3    H3   MET   1           3HT      MET   1   5.806 -13.482   2.033
    4    HA   MET   1           HA       MET   1   3.860 -14.028   3.275
    5    HB2  MET   1           2HB      MET   1   4.006 -12.088   4.841
    6    HB3  MET   1           1HB      MET   1   5.571 -12.672   4.324
    7    HG2  MET   1           2HG      MET   1   5.744 -10.811   2.745
    8    HG3  MET   1           1HG      MET   1   4.162 -10.234   3.269
    9    HE1  MET   1           2HE      MET   1   5.588  -7.491   5.318
   10    HE2  MET   1           3HE      MET   1   4.114  -8.201   4.662
   11    HE3  MET   1           1HE      MET   1   5.480  -7.862   3.598
   12    H    GLN   2           H        GLN   2   1.746 -13.447   4.039
   13    HA   GLN   2           HA       GLN   2   0.108 -12.007   2.058
   14    HB2  GLN   2           2HB      GLN   2  -0.644 -13.817   4.362
   15    HB3  GLN   2           1HB      GLN   2  -1.797 -13.039   3.287
   16    HG2  GLN   2           2HG      GLN   2  -0.788 -14.239   1.386
   17    HG3  GLN   2           1HG      GLN   2   0.285 -15.068   2.513
   18   HE21  GLN   2          1HE2      GLN   2  -2.403 -15.543   0.739
   19   HE22  GLN   2          2HE2      GLN   2  -3.231 -16.674   1.750
   20    H    ILE   3           H        ILE   3  -1.134 -10.233   2.525
   21    HA   ILE   3           HA       ILE   3  -1.100  -9.123   5.245
   22    HB   ILE   3           HB       ILE   3  -0.764  -6.861   4.397
   23   HG12  ILE   3          2HG1      ILE   3   0.132  -8.014   1.742
   24   HG13  ILE   3          1HG1      ILE   3  -1.517  -7.443   1.980
   25   HG21  ILE   3          1HG2      ILE   3   1.654  -7.083   3.893
   26   HG22  ILE   3          2HG2      ILE   3   1.422  -8.824   3.728
   27   HG23  ILE   3          3HG2      ILE   3   1.123  -8.036   5.278
   28   HD11  ILE   3          3HD1      ILE   3   0.841  -5.702   2.569
   29   HD12  ILE   3          1HD1      ILE   3  -0.835  -5.239   2.280
   30   HD13  ILE   3          2HD1      ILE   3   0.158  -5.834   0.948
   31    H    PHE   4           H        PHE   4  -2.958  -7.405   5.510
   32    HA   PHE   4           HA       PHE   4  -5.225  -8.035   3.728
   33    HB2  PHE   4           2HB      PHE   4  -5.232  -7.603   6.724
   34    HB3  PHE   4           1HB      PHE   4  -6.662  -7.806   5.735
   35    HD1  PHE   4           1HD      PHE   4  -7.156  -9.978   4.676
   36    HD2  PHE   4           2HD      PHE   4  -3.898  -9.496   7.376
   37    HE1  PHE   4           1HE      PHE   4  -7.022 -12.419   4.951
   38    HE2  PHE   4           2HE      PHE   4  -3.763 -11.936   7.652
   39    HZ   PHE   4           HZ       PHE   4  -5.325 -13.399   6.439
   40    H    VAL   5           H        VAL   5  -6.485  -6.317   3.036
   41    HA   VAL   5           HA       VAL   5  -5.804  -3.617   4.076
   42    HB   VAL   5           HB       VAL   5  -6.669  -4.227   1.229
   43   HG11  VAL   5          1HG1      VAL   5  -7.318  -1.970   2.098
   44   HG12  VAL   5          2HG1      VAL   5  -6.172  -1.893   0.761
   45   HG13  VAL   5          3HG1      VAL   5  -5.614  -1.645   2.416
   46   HG21  VAL   5          3HG2      VAL   5  -4.427  -5.051   1.511
   47   HG22  VAL   5          1HG2      VAL   5  -3.937  -3.580   2.354
   48   HG23  VAL   5          2HG2      VAL   5  -4.340  -3.524   0.634
   49    H    LYS   6           H        LYS   6  -7.518  -2.586   5.015
   50    HA   LYS   6           HA       LYS   6 -10.233  -3.651   4.596
   51    HB2  LYS   6           2HB      LYS   6  -8.860  -3.139   6.961
   52    HB3  LYS   6           1HB      LYS   6  -9.884  -1.719   6.820
   53    HG2  LYS   6           2HG      LYS   6 -11.854  -2.998   6.893
   54    HG3  LYS   6           1HG      LYS   6 -10.992  -4.497   6.548
   55    HD2  LYS   6           2HD      LYS   6 -11.533  -4.578   8.838
   56    HD3  LYS   6           1HD      LYS   6  -9.821  -4.185   8.767
   57    HE2  LYS   6           2HE      LYS   6 -10.616  -2.705  10.368
   58    HE3  LYS   6           1HE      LYS   6 -10.635  -1.717   8.909
   59    HZ1  LYS   6           3HZ      LYS   6 -12.994  -2.189   8.669
   60    HZ2  LYS   6           1HZ      LYS   6 -12.676  -1.473  10.170
   61    HZ3  LYS   6           2HZ      LYS   6 -12.971  -3.137  10.070
   62    H    THR   7           H        THR   7 -11.872  -2.395   3.789
   63    HA   THR   7           HA       THR   7 -11.149   0.295   2.865
   64    HB   THR   7           HB       THR   7 -12.840   0.101   1.189
   65    HG1  THR   7           1HG      THR   7 -14.468  -1.278   1.262
   66   HG21  THR   7          3HG2      THR   7 -10.857  -1.158   0.613
   67   HG22  THR   7          1HG2      THR   7 -12.312  -1.911  -0.045
   68   HG23  THR   7          2HG2      THR   7 -11.533  -2.594   1.381
   69    H    LEU   8           H        LEU   8 -12.811   2.013   2.874
   70    HA   LEU   8           HA       LEU   8 -13.849   2.382   5.471
   71    HB2  LEU   8           2HB      LEU   8 -14.607   3.878   2.970
   72    HB3  LEU   8           1HB      LEU   8 -14.957   4.407   4.605
   73    HG   LEU   8           HG       LEU   8 -12.167   3.930   3.603
   74   HD11  LEU   8          1HD1      LEU   8 -11.963   6.346   3.334
   75   HD12  LEU   8          2HD1      LEU   8 -13.671   6.537   3.730
   76   HD13  LEU   8          3HD1      LEU   8 -13.197   5.686   2.261
   77   HD21  LEU   8          3HD2      LEU   8 -11.541   5.324   5.531
   78   HD22  LEU   8          1HD2      LEU   8 -12.393   3.859   6.017
   79   HD23  LEU   8          2HD2      LEU   8 -13.239   5.407   6.002
   80    H    THR   9           H        THR   9 -15.304   0.547   3.042
   81    HA   THR   9           HA       THR   9 -18.064   0.934   4.006
   82    HB   THR   9           HB       THR   9 -18.809  -0.313   2.043
   83    HG1  THR   9           1HG      THR   9 -17.466  -1.360   0.757
   84   HG21  THR   9          3HG2      THR   9 -16.882   1.911   1.511
   85   HG22  THR   9          1HG2      THR   9 -18.642   1.903   1.391
   86   HG23  THR   9          2HG2      THR   9 -17.671   1.061   0.182
   87    H    GLY  10           H        GLY  10 -15.479  -1.252   4.580
   88    HA2  GLY  10           2HA      GLY  10 -15.813  -2.778   6.415
   89    HA3  GLY  10           1HA      GLY  10 -17.396  -3.164   5.777
   90    H    LYS  11           H        LYS  11 -14.874  -2.946   3.419
   91    HA   LYS  11           HA       LYS  11 -14.994  -5.848   3.133
   92    HB2  LYS  11           2HB      LYS  11 -15.496  -4.249   1.207
   93    HB3  LYS  11           1HB      LYS  11 -13.765  -3.988   1.101
   94    HG2  LYS  11           2HG      LYS  11 -13.410  -6.342   0.642
   95    HG3  LYS  11           1HG      LYS  11 -15.135  -6.658   0.840
   96    HD2  LYS  11           2HD      LYS  11 -15.547  -5.032  -1.033
   97    HD3  LYS  11           1HD      LYS  11 -13.803  -5.003  -1.299
   98    HE2  LYS  11           2HE      LYS  11 -13.787  -7.357  -1.793
   99    HE3  LYS  11           1HE      LYS  11 -15.486  -7.504  -1.347
  100    HZ1  LYS  11           3HZ      LYS  11 -14.386  -6.004  -3.664
  101    HZ2  LYS  11           1HZ      LYS  11 -16.015  -5.994  -3.205
  102    HZ3  LYS  11           2HZ      LYS  11 -15.293  -7.432  -3.720
  103    H    THR  12           H        THR  12 -13.216  -7.225   3.211
  104    HA   THR  12           HA       THR  12 -10.576  -6.005   3.769
  105    HB   THR  12           HB       THR  12 -11.528  -8.745   4.664
  106    HG1  THR  12           1HG      THR  12 -12.013  -7.864   6.598
  107   HG21  THR  12          3HG2      THR  12  -9.076  -8.491   4.576
  108   HG22  THR  12          1HG2      THR  12  -9.674  -8.692   6.222
  109   HG23  THR  12          2HG2      THR  12  -9.200  -7.095   5.647
  110    H    ILE  13           H        ILE  13  -9.075  -6.359   2.234
  111    HA   ILE  13           HA       ILE  13  -9.479  -8.570   0.303
  112    HB   ILE  13           HB       ILE  13  -7.570  -6.268  -0.224
  113   HG12  ILE  13          2HG1      ILE  13 -10.444  -6.225  -1.173
  114   HG13  ILE  13          1HG1      ILE  13  -9.901  -5.339   0.247
  115   HG21  ILE  13          1HG2      ILE  13  -9.159  -7.955  -2.149
  116   HG22  ILE  13          2HG2      ILE  13  -7.549  -8.381  -1.574
  117   HG23  ILE  13          3HG2      ILE  13  -7.789  -6.903  -2.506
  118   HD11  ILE  13          3HD1      ILE  13 -10.039  -3.961  -1.795
  119   HD12  ILE  13          1HD1      ILE  13  -8.777  -4.961  -2.514
  120   HD13  ILE  13          2HD1      ILE  13  -8.428  -3.999  -1.077
  121    H    THR  14           H        THR  14  -7.827 -10.087   0.008
  122    HA   THR  14           HA       THR  14  -5.537  -9.902   1.855
  123    HB   THR  14           HB       THR  14  -6.462 -12.382   0.388
  124    HG1  THR  14           1HG      THR  14  -8.195 -12.104   1.587
  125   HG21  THR  14          3HG2      THR  14  -5.316 -13.606   2.056
  126   HG22  THR  14          1HG2      THR  14  -5.039 -12.159   3.024
  127   HG23  THR  14          2HG2      THR  14  -4.208 -12.359   1.482
  128    H    LEU  15           H        LEU  15  -3.512  -9.673   1.046
  129    HA   LEU  15           HA       LEU  15  -3.146 -10.056  -1.868
  130    HB2  LEU  15           2HB      LEU  15  -1.924  -7.868  -0.182
  131    HB3  LEU  15           1HB      LEU  15  -1.639  -8.122  -1.892
  132    HG   LEU  15           HG       LEU  15  -4.353  -7.465  -0.742
  133   HD11  LEU  15          1HD1      LEU  15  -2.914  -5.603  -0.283
  134   HD12  LEU  15          2HD1      LEU  15  -3.948  -5.191  -1.650
  135   HD13  LEU  15          3HD1      LEU  15  -2.264  -5.643  -1.922
  136   HD21  LEU  15          3HD2      LEU  15  -3.274  -7.443  -3.560
  137   HD22  LEU  15          1HD2      LEU  15  -4.873  -6.877  -3.078
  138   HD23  LEU  15          2HD2      LEU  15  -4.448  -8.579  -2.894
  139    H    GLU  16           H        GLU  16  -1.193 -10.898  -2.567
  140    HA   GLU  16           HA       GLU  16   0.571 -12.050  -0.501
  141    HB2  GLU  16           2HB      GLU  16  -0.408 -13.536  -2.338
  142    HB3  GLU  16           1HB      GLU  16   0.605 -12.657  -3.475
  143    HG2  GLU  16           2HG      GLU  16   2.594 -13.417  -2.384
  144    HG3  GLU  16           1HG      GLU  16   1.656 -14.147  -1.085
  145    H    VAL  17           H        VAL  17   2.446 -10.933  -0.110
  146    HA   VAL  17           HA       VAL  17   3.633  -9.274  -2.248
  147    HB   VAL  17           HB       VAL  17   4.006  -7.445  -0.594
  148   HG11  VAL  17          1HG1      VAL  17   2.151  -7.447  -2.240
  149   HG12  VAL  17          2HG1      VAL  17   1.809  -6.506  -0.789
  150   HG13  VAL  17          3HG1      VAL  17   1.093  -8.106  -0.991
  151   HG21  VAL  17          3HG2      VAL  17   3.708  -8.855   1.468
  152   HG22  VAL  17          1HG2      VAL  17   1.973  -8.870   1.139
  153   HG23  VAL  17          2HG2      VAL  17   2.792  -7.347   1.484
  154    H    GLU  18           H        GLU  18   5.845  -8.462  -1.626
  155    HA   GLU  18           HA       GLU  18   7.308 -10.327   0.158
  156    HB2  GLU  18           2HB      GLU  18   8.232  -8.959  -2.393
  157    HB3  GLU  18           1HB      GLU  18   9.308  -9.801  -1.289
  158    HG2  GLU  18           2HG      GLU  18   6.960 -11.126  -2.615
  159    HG3  GLU  18           1HG      GLU  18   8.572 -11.082  -3.328
  160    HA   PRO  19           HA       PRO  19   8.175  -6.719   2.613
  161    HB2  PRO  19           2HB      PRO  19  10.997  -7.559   2.987
  162    HB3  PRO  19           1HB      PRO  19   9.729  -7.230   4.178
  163    HG2  PRO  19           2HG      PRO  19  10.492  -9.745   3.608
  164    HG3  PRO  19           1HG      PRO  19   8.808  -9.340   3.982
  165    HD2  PRO  19           2HD      PRO  19  10.065  -9.866   1.298
  166    HD3  PRO  19           1HD      PRO  19   8.476 -10.366   1.927
  167    H    SER  20           H        SER  20  10.404  -7.416  -0.038
  168    HA   SER  20           HA       SER  20  11.550  -4.754  -0.083
  169    HB2  SER  20           2HB      SER  20  12.611  -5.598  -2.227
  170    HB3  SER  20           1HB      SER  20  13.008  -6.499  -0.765
  171    HG   SER  20           HG       SER  20  11.248  -7.217  -2.854
  172    H    ASP  21           H        ASP  21   8.473  -5.767  -1.012
  173    HA   ASP  21           HA       ASP  21   8.255  -4.542  -3.594
  174    HB2  ASP  21           2HB      ASP  21   6.253  -5.536  -1.571
  175    HB3  ASP  21           1HB      ASP  21   5.722  -4.628  -2.977
  176    H    THR  22           H        THR  22   7.495  -2.484  -4.088
  177    HA   THR  22           HA       THR  22   7.710  -0.436  -2.031
  178    HB   THR  22           HB       THR  22   7.512   1.156  -3.866
  179    HG1  THR  22           1HG      THR  22   7.006   0.559  -5.875
  180   HG21  THR  22          3HG2      THR  22   9.362  -0.935  -4.923
  181   HG22  THR  22          1HG2      THR  22   9.714  -0.080  -3.420
  182   HG23  THR  22          2HG2      THR  22   9.536   0.821  -4.927
  183    H    ILE  23           H        ILE  23   6.065   1.223  -1.714
  184    HA   ILE  23           HA       ILE  23   3.423   0.245  -1.309
  185    HB   ILE  23           HB       ILE  23   4.482   3.068  -1.396
  186   HG12  ILE  23          2HG1      ILE  23   5.506   1.703   0.322
  187   HG13  ILE  23          1HG1      ILE  23   4.480   2.920   1.059
  188   HG21  ILE  23          1HG2      ILE  23   1.809   2.174  -0.329
  189   HG22  ILE  23          2HG2      ILE  23   2.078   3.170  -1.759
  190   HG23  ILE  23          3HG2      ILE  23   2.496   3.789  -0.160
  191   HD11  ILE  23          3HD1      ILE  23   3.968  -0.029   0.832
  192   HD12  ILE  23          1HD1      ILE  23   2.709   1.128   1.267
  193   HD13  ILE  23          2HD1      ILE  23   4.134   0.950   2.289
  194    H    GLU  24           H        GLU  24   4.778   2.188  -4.013
  195    HA   GLU  24           HA       GLU  24   2.386   2.614  -5.497
  196    HB2  GLU  24           2HB      GLU  24   4.662   3.633  -5.988
  197    HB3  GLU  24           1HB      GLU  24   5.137   2.085  -6.670
  198    HG2  GLU  24           2HG      GLU  24   2.703   3.492  -7.703
  199    HG3  GLU  24           1HG      GLU  24   4.301   4.021  -8.208
  200    H    ASN  25           H        ASN  25   4.543  -0.224  -5.332
  201    HA   ASN  25           HA       ASN  25   3.199  -1.713  -7.416
  202    HB2  ASN  25           2HB      ASN  25   5.579  -2.137  -6.454
  203    HB3  ASN  25           1HB      ASN  25   4.749  -2.995  -5.160
  204   HD21  ASN  25          1HD2      ASN  25   5.711  -3.067  -8.509
  205   HD22  ASN  25          2HD2      ASN  25   5.190  -4.683  -8.821
  206    H    VAL  26           H        VAL  26   2.781  -1.553  -3.890
  207    HA   VAL  26           HA       VAL  26   0.770  -3.605  -3.718
  208    HB   VAL  26           HB       VAL  26   1.288  -1.225  -1.885
  209   HG11  VAL  26          1HG1      VAL  26  -0.975  -1.995  -1.493
  210   HG12  VAL  26          2HG1      VAL  26   0.054  -2.529  -0.163
  211   HG13  VAL  26          3HG1      VAL  26  -0.429  -3.671  -1.417
  212   HG21  VAL  26          3HG2      VAL  26   2.048  -4.098  -1.438
  213   HG22  VAL  26          1HG2      VAL  26   2.552  -2.677  -0.525
  214   HG23  VAL  26          2HG2      VAL  26   3.130  -2.914  -2.173
  215    H    LYS  27           H        LYS  27   0.534  -0.070  -4.308
  216    HA   LYS  27           HA       LYS  27  -2.297   0.055  -4.393
  217    HB2  LYS  27           2HB      LYS  27  -0.265   1.723  -5.915
  218    HB3  LYS  27           1HB      LYS  27  -1.977   2.091  -5.817
  219    HG2  LYS  27           2HG      LYS  27  -1.325   2.050  -3.157
  220    HG3  LYS  27           1HG      LYS  27   0.198   2.629  -3.890
  221    HD2  LYS  27           2HD      LYS  27  -1.287   4.270  -5.158
  222    HD3  LYS  27           1HD      LYS  27  -2.521   3.859  -3.965
  223    HE2  LYS  27           2HE      LYS  27   0.254   4.809  -3.253
  224    HE3  LYS  27           1HE      LYS  27  -1.134   5.884  -3.422
  225    HZ1  LYS  27           3HZ      LYS  27  -2.237   4.767  -1.635
  226    HZ2  LYS  27           1HZ      LYS  27  -0.688   5.199  -1.108
  227    HZ3  LYS  27           2HZ      LYS  27  -1.020   3.597  -1.536
  228    H    ALA  28           H        ALA  28   0.103  -0.709  -6.933
  229    HA   ALA  28           HA       ALA  28  -1.695  -0.776  -9.118
  230    HB1  ALA  28           1HB      ALA  28   0.870  -2.332  -8.792
  231    HB2  ALA  28           2HB      ALA  28   0.710  -0.715  -9.477
  232    HB3  ALA  28           3HB      ALA  28  -0.003  -2.099 -10.307
  233    H    LYS  29           H        LYS  29  -0.775  -3.286  -6.771
  234    HA   LYS  29           HA       LYS  29  -2.231  -5.486  -7.962
  235    HB2  LYS  29           2HB      LYS  29  -1.299  -4.991  -5.124
  236    HB3  LYS  29           1HB      LYS  29  -2.078  -6.476  -5.651
  237    HG2  LYS  29           2HG      LYS  29  -0.271  -7.045  -7.061
  238    HG3  LYS  29           1HG      LYS  29   0.440  -5.437  -6.919
  239    HD2  LYS  29           2HD      LYS  29   1.068  -5.819  -4.659
  240    HD3  LYS  29           1HD      LYS  29   0.090  -7.284  -4.564
  241    HE2  LYS  29           2HE      LYS  29   2.396  -7.026  -6.481
  242    HE3  LYS  29           1HE      LYS  29   2.617  -7.563  -4.816
  243    HZ1  LYS  29           3HZ      LYS  29   0.941  -8.865  -6.891
  244    HZ2  LYS  29           1HZ      LYS  29   0.988  -9.341  -5.268
  245    HZ3  LYS  29           2HZ      LYS  29   2.376  -9.462  -6.225
  246    H    ILE  30           H        ILE  30  -3.132  -2.962  -5.609
  247    HA   ILE  30           HA       ILE  30  -5.772  -4.025  -5.105
  248    HB   ILE  30           HB       ILE  30  -4.603  -1.263  -4.640
  249   HG12  ILE  30          2HG1      ILE  30  -5.359  -3.526  -2.775
  250   HG13  ILE  30          1HG1      ILE  30  -3.728  -3.145  -3.300
  251   HG21  ILE  30          1HG2      ILE  30  -7.383  -2.276  -4.000
  252   HG22  ILE  30          2HG2      ILE  30  -6.941  -0.827  -4.902
  253   HG23  ILE  30          3HG2      ILE  30  -6.653  -0.905  -3.165
  254   HD11  ILE  30          3HD1      ILE  30  -3.682  -2.133  -1.288
  255   HD12  ILE  30          1HD1      ILE  30  -5.425  -1.862  -1.259
  256   HD13  ILE  30          2HD1      ILE  30  -4.380  -0.797  -2.203
  257    H    GLN  31           H        GLN  31  -4.495  -1.666  -7.497
  258    HA   GLN  31           HA       GLN  31  -6.962  -0.885  -8.709
  259    HB2  GLN  31           2HB      GLN  31  -4.769   0.222  -9.167
  260    HB3  GLN  31           1HB      GLN  31  -4.214  -1.239  -9.971
  261    HG2  GLN  31           2HG      GLN  31  -6.186  -0.838 -11.584
  262    HG3  GLN  31           1HG      GLN  31  -6.256   0.773 -10.877
  263   HE21  GLN  31          1HE2      GLN  31  -5.506  -0.289 -13.641
  264   HE22  GLN  31          2HE2      GLN  31  -3.980   0.454 -13.960
  265    H    ASP  32           H        ASP  32  -4.785  -3.622  -9.362
  266    HA   ASP  32           HA       ASP  32  -6.197  -4.718 -11.582
  267    HB2  ASP  32           2HB      ASP  32  -3.834  -5.317 -10.804
  268    HB3  ASP  32           1HB      ASP  32  -4.599  -6.316  -9.573
  269    H    LYS  33           H        LYS  33  -6.537  -5.385  -8.091
  270    HA   LYS  33           HA       LYS  33  -8.546  -7.427  -8.505
  271    HB2  LYS  33           2HB      LYS  33  -7.820  -6.003  -5.941
  272    HB3  LYS  33           1HB      LYS  33  -8.672  -7.526  -6.067
  273    HG2  LYS  33           2HG      LYS  33  -6.197  -7.899  -7.405
  274    HG3  LYS  33           1HG      LYS  33  -5.836  -7.018  -5.924
  275    HD2  LYS  33           2HD      LYS  33  -6.960  -8.738  -4.609
  276    HD3  LYS  33           1HD      LYS  33  -7.383  -9.606  -6.087
  277    HE2  LYS  33           2HE      LYS  33  -5.060 -10.019  -6.566
  278    HE3  LYS  33           1HE      LYS  33  -4.559  -9.008  -5.211
  279    HZ1  LYS  33           3HZ      LYS  33  -5.466 -10.572  -3.681
  280    HZ2  LYS  33           1HZ      LYS  33  -4.480 -11.427  -4.758
  281    HZ3  LYS  33           2HZ      LYS  33  -6.163 -11.487  -4.921
  282    H    GLU  34           H        GLU  34  -8.711  -4.034  -7.393
  283    HA   GLU  34           HA       GLU  34 -11.661  -4.259  -7.381
  284    HB2  GLU  34           2HB      GLU  34  -9.784  -2.569  -5.759
  285    HB3  GLU  34           1HB      GLU  34 -11.534  -2.351  -5.756
  286    HG2  GLU  34           2HG      GLU  34 -10.290  -5.011  -5.229
  287    HG3  GLU  34           1HG      GLU  34 -10.446  -3.814  -3.912
  288    H    GLY  35           H        GLY  35  -9.292  -2.734  -9.300
  289    HA2  GLY  35           2HA      GLY  35  -9.594  -1.327 -11.065
  290    HA3  GLY  35           1HA      GLY  35 -11.292  -1.241 -10.670
  291    H    ILE  36           H        ILE  36  -9.268  -0.276  -8.064
  292    HA   ILE  36           HA       ILE  36 -10.085   2.506  -8.352
  293    HB   ILE  36           HB       ILE  36  -8.348   1.306  -6.170
  294   HG12  ILE  36          2HG1      ILE  36 -11.302   1.757  -5.750
  295   HG13  ILE  36          1HG1      ILE  36 -10.771   0.273  -6.527
  296   HG21  ILE  36          1HG2      ILE  36  -8.977   3.201  -4.837
  297   HG22  ILE  36          2HG2      ILE  36 -10.142   3.736  -6.045
  298   HG23  ILE  36          3HG2      ILE  36  -8.415   3.807  -6.396
  299   HD11  ILE  36          3HD1      ILE  36 -10.992  -0.228  -4.251
  300   HD12  ILE  36          1HD1      ILE  36 -10.132   1.232  -3.763
  301   HD13  ILE  36          2HD1      ILE  36  -9.258  -0.085  -4.543
  302    HA   PRO  37           HA       PRO  37  -6.081   3.357 -10.389
  303    HB2  PRO  37           2HB      PRO  37  -6.756   6.242 -10.082
  304    HB3  PRO  37           1HB      PRO  37  -6.436   5.317 -11.554
  305    HG2  PRO  37           2HG      PRO  37  -8.899   6.154 -10.931
  306    HG3  PRO  37           1HG      PRO  37  -8.620   4.595 -11.730
  307    HD2  PRO  37           2HD      PRO  37  -9.178   5.158  -8.830
  308    HD3  PRO  37           1HD      PRO  37  -9.855   3.901  -9.886
  309    HA   PRO  38           HA       PRO  38  -3.511   4.002  -6.813
  310    HB2  PRO  38           2HB      PRO  38  -1.438   5.170  -8.655
  311    HB3  PRO  38           1HB      PRO  38  -1.291   3.820  -7.521
  312    HG2  PRO  38           2HG      PRO  38  -1.441   3.383 -10.132
  313    HG3  PRO  38           1HG      PRO  38  -2.272   2.316  -8.985
  314    HD2  PRO  38           2HD      PRO  38  -3.398   4.506 -10.698
  315    HD3  PRO  38           1HD      PRO  38  -4.059   2.896 -10.346
  316    H    ASP  39           H        ASP  39  -3.829   6.758  -9.038
  317    HA   ASP  39           HA       ASP  39  -2.793   8.656  -7.223
  318    HB2  ASP  39           2HB      ASP  39  -3.071   8.926  -9.744
  319    HB3  ASP  39           1HB      ASP  39  -4.754   9.318  -9.422
  320    H    GLN  40           H        GLN  40  -5.903   7.099  -7.233
  321    HA   GLN  40           HA       GLN  40  -7.128   9.202  -5.590
  322    HB2  GLN  40           2HB      GLN  40  -8.302   6.758  -6.921
  323    HB3  GLN  40           1HB      GLN  40  -9.208   7.839  -5.876
  324    HG2  GLN  40           2HG      GLN  40  -8.509   9.692  -7.478
  325    HG3  GLN  40           1HG      GLN  40  -8.015   8.394  -8.564
  326   HE21  GLN  40          1HE2      GLN  40  -9.520   8.387 -10.163
  327   HE22  GLN  40          2HE2      GLN  40 -11.226   8.310  -9.894
  328    H    GLN  41           H        GLN  41  -5.248   6.475  -5.048
  329    HA   GLN  41           HA       GLN  41  -6.722   5.508  -2.684
  330    HB2  GLN  41           2HB      GLN  41  -4.510   4.397  -4.380
  331    HB3  GLN  41           1HB      GLN  41  -4.888   3.701  -2.809
  332    HG2  GLN  41           2HG      GLN  41  -7.252   3.435  -3.632
  333    HG3  GLN  41           1HG      GLN  41  -6.652   3.868  -5.232
  334   HE21  GLN  41          1HE2      GLN  41  -6.082   2.193  -6.506
  335   HE22  GLN  41          2HE2      GLN  41  -5.607   0.632  -5.936
  336    H    ARG  42           H        ARG  42  -6.040   5.775  -0.611
  337    HA   ARG  42           HA       ARG  42  -3.310   6.745  -0.137
  338    HB2  ARG  42           2HB      ARG  42  -5.819   7.516   1.391
  339    HB3  ARG  42           1HB      ARG  42  -4.187   7.933   1.892
  340    HG2  ARG  42           2HG      ARG  42  -3.907   9.250  -0.157
  341    HG3  ARG  42           1HG      ARG  42  -5.561   8.850  -0.622
  342    HD2  ARG  42           2HD      ARG  42  -6.469  10.062   1.191
  343    HD3  ARG  42           1HD      ARG  42  -4.902  10.195   1.987
  344    HE   ARG  42           HE       ARG  42  -5.045  11.480  -0.603
  345   HH11  ARG  42          1HH1      ARG  42  -5.519  12.011   2.879
  346   HH12  ARG  42          2HH1      ARG  42  -5.302  13.720   2.739
  347   HH21  ARG  42          1HH2      ARG  42  -4.772  13.720  -0.708
  348   HH22  ARG  42          2HH2      ARG  42  -4.881  14.681   0.728
  349    H    LEU  43           H        LEU  43  -2.149   5.390   1.204
  350    HA   LEU  43           HA       LEU  43  -3.649   3.253   2.599
  351    HB2  LEU  43           2HB      LEU  43  -0.831   3.300   1.498
  352    HB3  LEU  43           1HB      LEU  43  -1.516   2.010   2.475
  353    HG   LEU  43           HG       LEU  43  -2.624   2.842  -0.212
  354   HD11  LEU  43          1HD1      LEU  43  -0.313   1.960  -0.376
  355   HD12  LEU  43          2HD1      LEU  43  -1.514   0.932  -1.157
  356   HD13  LEU  43          3HD1      LEU  43  -0.858   0.482   0.418
  357   HD21  LEU  43          3HD2      LEU  43  -3.136   0.455   1.563
  358   HD22  LEU  43          1HD2      LEU  43  -3.731   0.625  -0.088
  359   HD23  LEU  43          2HD2      LEU  43  -4.272   1.743   1.164
  360    H    ILE  44           H        ILE  44  -3.536   3.060   4.748
  361    HA   ILE  44           HA       ILE  44  -1.534   4.634   6.261
  362    HB   ILE  44           HB       ILE  44  -4.514   4.376   6.652
  363   HG12  ILE  44          2HG1      ILE  44  -3.848   6.962   7.228
  364   HG13  ILE  44          1HG1      ILE  44  -2.567   6.581   6.096
  365   HG21  ILE  44          1HG2      ILE  44  -4.232   5.532   8.873
  366   HG22  ILE  44          2HG2      ILE  44  -2.520   5.118   8.800
  367   HG23  ILE  44          3HG2      ILE  44  -3.734   3.839   8.846
  368   HD11  ILE  44          3HD1      ILE  44  -5.407   7.034   5.616
  369   HD12  ILE  44          1HD1      ILE  44  -4.726   5.664   4.736
  370   HD13  ILE  44          2HD1      ILE  44  -4.007   7.264   4.567
  371    H    PHE  45           H        PHE  45  -0.472   3.628   7.856
  372    HA   PHE  45           HA       PHE  45  -1.416   1.034   8.867
  373    HB2  PHE  45           2HB      PHE  45   0.315   0.576   7.140
  374    HB3  PHE  45           1HB      PHE  45   1.449   1.599   8.010
  375    HD1  PHE  45           1HD      PHE  45  -0.785  -1.329   8.656
  376    HD2  PHE  45           2HD      PHE  45   2.988   0.508   9.387
  377    HE1  PHE  45           1HE      PHE  45  -0.095  -3.278   9.987
  378    HE2  PHE  45           2HE      PHE  45   3.683  -1.442  10.716
  379    HZ   PHE  45           HZ       PHE  45   2.140  -3.336  11.019
  380    H    ALA  46           H        ALA  46  -1.471   1.112  11.116
  381    HA   ALA  46           HA       ALA  46  -1.284   1.972  13.231
  382    HB1  ALA  46           1HB      ALA  46   0.896   1.916  14.122
  383    HB2  ALA  46           2HB      ALA  46   1.626   2.337  12.572
  384    HB3  ALA  46           3HB      ALA  46   0.892   0.750  12.798
  385    H    GLY  47           H        GLY  47  -2.326   3.908  11.622
  386    HA2  GLY  47           2HA      GLY  47  -2.882   6.119  11.749
  387    HA3  GLY  47           1HA      GLY  47  -1.718   6.294  13.040
  388    H    LYS  48           H        LYS  48  -0.013   5.112  10.365
  389    HA   LYS  48           HA       LYS  48   0.803   7.846   9.582
  390    HB2  LYS  48           2HB      LYS  48   2.461   5.358   9.208
  391    HB3  LYS  48           1HB      LYS  48   3.002   7.020   9.124
  392    HG2  LYS  48           2HG      LYS  48   2.762   7.289  11.504
  393    HG3  LYS  48           1HG      LYS  48   2.043   5.683  11.648
  394    HD2  LYS  48           2HD      LYS  48   4.173   4.738  10.739
  395    HD3  LYS  48           1HD      LYS  48   4.871   6.356  10.845
  396    HE2  LYS  48           2HE      LYS  48   4.418   6.377  13.259
  397    HE3  LYS  48           1HE      LYS  48   3.756   4.746  13.140
  398    HZ1  LYS  48           3HZ      LYS  48   6.556   5.550  12.560
  399    HZ2  LYS  48           1HZ      LYS  48   5.935   3.989  12.354
  400    HZ3  LYS  48           2HZ      LYS  48   6.025   4.667  13.901
  401    H    GLN  49           H        GLN  49   0.833   8.501   7.464
  402    HA   GLN  49           HA       GLN  49  -0.490   6.816   5.494
  403    HB2  GLN  49           2HB      GLN  49  -0.621   9.424   5.805
  404    HB3  GLN  49           1HB      GLN  49   0.832   9.448   4.817
  405    HG2  GLN  49           2HG      GLN  49  -0.391   8.211   3.058
  406    HG3  GLN  49           1HG      GLN  49  -1.849   8.311   4.043
  407   HE21  GLN  49          1HE2      GLN  49  -2.166  10.757   4.870
  408   HE22  GLN  49          2HE2      GLN  49  -2.106  11.911   3.586
  409    H    LEU  50           H        LEU  50   0.586   5.520   4.004
  410    HA   LEU  50           HA       LEU  50   3.481   5.350   4.132
  411    HB2  LEU  50           2HB      LEU  50   1.649   3.701   2.396
  412    HB3  LEU  50           1HB      LEU  50   3.291   3.340   2.869
  413    HG   LEU  50           HG       LEU  50   0.931   3.443   4.753
  414   HD11  LEU  50          1HD1      LEU  50   1.045   1.020   4.792
  415   HD12  LEU  50          2HD1      LEU  50   2.371   1.045   3.630
  416   HD13  LEU  50          3HD1      LEU  50   0.767   1.597   3.150
  417   HD21  LEU  50          3HD2      LEU  50   2.514   2.240   6.298
  418   HD22  LEU  50          1HD2      LEU  50   2.924   3.925   5.975
  419   HD23  LEU  50          2HD2      LEU  50   3.805   2.632   5.165
  420    H    GLU  51           H        GLU  51   4.948   5.964   2.568
  421    HA   GLU  51           HA       GLU  51   3.946   7.559   0.325
  422    HB2  GLU  51           2HB      GLU  51   6.719   7.154   1.467
  423    HB3  GLU  51           1HB      GLU  51   6.405   8.110   0.023
  424    HG2  GLU  51           2HG      GLU  51   5.297   9.767   1.177
  425    HG3  GLU  51           1HG      GLU  51   4.980   8.744   2.578
  426    H    ASP  52           H        ASP  52   4.306   7.217  -1.845
  427    HA   ASP  52           HA       ASP  52   4.348   4.554  -2.728
  428    HB2  ASP  52           2HB      ASP  52   4.668   7.122  -4.283
  429    HB3  ASP  52           1HB      ASP  52   4.499   5.531  -5.024
  430    H    GLY  53           H        GLY  53   7.061   6.773  -2.360
  431    HA2  GLY  53           2HA      GLY  53   8.838   5.127  -3.977
  432    HA3  GLY  53           1HA      GLY  53   9.272   6.563  -3.075
  433    H    ARG  54           H        ARG  54   7.685   4.618  -0.851
  434    HA   ARG  54           HA       ARG  54  10.247   3.474   0.111
  435    HB2  ARG  54           2HB      ARG  54   7.675   3.998   1.622
  436    HB3  ARG  54           1HB      ARG  54   9.146   3.350   2.318
  437    HG2  ARG  54           2HG      ARG  54   8.684   6.148   1.284
  438    HG3  ARG  54           1HG      ARG  54   8.935   5.633   2.936
  439    HD2  ARG  54           2HD      ARG  54  11.087   6.075   2.697
  440    HD3  ARG  54           1HD      ARG  54  11.226   4.739   1.562
  441    HE   ARG  54           HE       ARG  54  10.388   6.723  -0.038
  442   HH11  ARG  54          1HH1      ARG  54  13.051   6.705   2.317
  443   HH12  ARG  54          2HH1      ARG  54  13.949   7.894   1.443
  444   HH21  ARG  54          1HH2      ARG  54  11.615   8.269  -1.121
  445   HH22  ARG  54          2HH2      ARG  54  13.144   8.775  -0.486
  446    H    THR  55           H        THR  55  10.085   1.383   1.325
  447    HA   THR  55           HA       THR  55   8.320  -0.523  -0.106
  448    HB   THR  55           HB       THR  55   9.886  -2.269   0.467
  449    HG1  THR  55           1HG      THR  55  11.578  -1.980   1.785
  450   HG21  THR  55          3HG2      THR  55  11.857  -1.651  -0.757
  451   HG22  THR  55          1HG2      THR  55  11.478   0.060  -0.569
  452   HG23  THR  55          2HG2      THR  55  10.432  -0.972  -1.544
  453    H    LEU  56           H        LEU  56   7.638  -2.454   1.108
  454    HA   LEU  56           HA       LEU  56   6.145  -1.858   3.428
  455    HB2  LEU  56           2HB      LEU  56   7.053  -4.550   2.415
  456    HB3  LEU  56           1HB      LEU  56   5.824  -4.298   3.644
  457    HG   LEU  56           HG       LEU  56   5.616  -3.393   0.768
  458   HD11  LEU  56          1HD1      LEU  56   3.948  -5.200   0.574
  459   HD12  LEU  56          2HD1      LEU  56   4.391  -5.748   2.192
  460   HD13  LEU  56          3HD1      LEU  56   5.577  -5.797   0.887
  461   HD21  LEU  56          3HD2      LEU  56   4.276  -1.947   2.097
  462   HD22  LEU  56          1HD2      LEU  56   3.702  -3.281   3.096
  463   HD23  LEU  56          2HD2      LEU  56   3.173  -3.143   1.420
  464    H    SER  57           H        SER  57   9.387  -3.299   3.196
  465    HA   SER  57           HA       SER  57   9.607  -4.045   5.941
  466    HB2  SER  57           2HB      SER  57  11.096  -5.126   4.370
  467    HB3  SER  57           1HB      SER  57  11.760  -3.564   3.873
  468    HG   SER  57           HG       SER  57  12.852  -3.427   5.756
  469    H    ASP  58           H        ASP  58  10.252  -1.009   4.226
  470    HA   ASP  58           HA       ASP  58  11.788   0.290   6.218
  471    HB2  ASP  58           2HB      ASP  58   9.898   1.494   4.181
  472    HB3  ASP  58           1HB      ASP  58  11.017   2.423   5.165
  473    H    TYR  59           H        TYR  59   8.316  -0.255   6.034
  474    HA   TYR  59           HA       TYR  59   7.836   1.459   8.385
  475    HB2  TYR  59           2HB      TYR  59   5.983   0.140   6.385
  476    HB3  TYR  59           1HB      TYR  59   5.389   0.890   7.864
  477    HD1  TYR  59           1HD      TYR  59   5.673   3.325   8.218
  478    HD2  TYR  59           2HD      TYR  59   6.653   1.483   4.510
  479    HE1  TYR  59           1HE      TYR  59   5.658   5.527   7.128
  480    HE2  TYR  59           2HE      TYR  59   6.637   3.680   3.410
  481    HH   TYR  59           HH       TYR  59   5.267   6.357   4.639
  482    H    ASN  60           H        ASN  60   8.964  -1.572   8.144
  483    HA   ASN  60           HA       ASN  60   8.938  -3.460   9.347
  484    HB2  ASN  60           2HB      ASN  60   9.505  -1.859  11.130
  485    HB3  ASN  60           1HB      ASN  60   7.798  -1.607  11.460
  486   HD21  ASN  60          1HD2      ASN  60   7.994  -2.250  13.652
  487   HD22  ASN  60          2HD2      ASN  60   8.302  -3.890  14.100
  488    H    ILE  61           H        ILE  61   6.752  -3.249   7.588
  489    HA   ILE  61           HA       ILE  61   4.380  -4.212   8.986
  490    HB   ILE  61           HB       ILE  61   4.912  -3.933   6.001
  491   HG12  ILE  61          2HG1      ILE  61   3.136  -2.247   7.775
  492   HG13  ILE  61          1HG1      ILE  61   4.793  -1.809   7.397
  493   HG21  ILE  61          1HG2      ILE  61   2.311  -4.531   7.435
  494   HG22  ILE  61          2HG2      ILE  61   3.218  -5.660   6.428
  495   HG23  ILE  61          3HG2      ILE  61   2.483  -4.229   5.706
  496   HD11  ILE  61          3HD1      ILE  61   2.708  -2.244   5.281
  497   HD12  ILE  61          1HD1      ILE  61   4.289  -1.480   5.115
  498   HD13  ILE  61          2HD1      ILE  61   3.014  -0.679   6.033
  499    H    GLN  62           H        GLN  62   4.051  -6.292   9.490
  500    HA   GLN  62           HA       GLN  62   5.788  -8.398   8.333
  501    HB2  GLN  62           2HB      GLN  62   4.476  -8.075  11.037
  502    HB3  GLN  62           1HB      GLN  62   5.292  -9.548  10.524
  503    HG2  GLN  62           2HG      GLN  62   7.390  -8.461  10.423
  504    HG3  GLN  62           1HG      GLN  62   6.651  -6.870  10.589
  505   HE21  GLN  62          1HE2      GLN  62   6.894  -5.995  12.565
  506   HE22  GLN  62          2HE2      GLN  62   7.004  -6.887  14.041
  507    H    LYS  63           H        LYS  63   4.789 -10.672   8.557
  508    HA   LYS  63           HA       LYS  63   2.612 -10.946   6.889
  509    HB2  LYS  63           2HB      LYS  63   2.380 -13.289   7.682
  510    HB3  LYS  63           1HB      LYS  63   4.033 -12.852   7.263
  511    HG2  LYS  63           2HG      LYS  63   4.344 -12.387   9.763
  512    HG3  LYS  63           1HG      LYS  63   2.846 -13.289   9.982
  513    HD2  LYS  63           2HD      LYS  63   5.177 -14.411   8.441
  514    HD3  LYS  63           1HD      LYS  63   5.046 -14.570  10.196
  515    HE2  LYS  63           2HE      LYS  63   2.800 -15.619   9.843
  516    HE3  LYS  63           1HE      LYS  63   3.131 -15.611   8.111
  517    HZ1  LYS  63           3HZ      LYS  63   4.992 -17.053   8.448
  518    HZ2  LYS  63           1HZ      LYS  63   3.649 -17.743   9.215
  519    HZ3  LYS  63           2HZ      LYS  63   4.837 -16.963  10.130
  520    H    GLU  64           H        GLU  64   0.396 -11.234   7.055
  521    HA   GLU  64           HA       GLU  64  -1.712 -11.041   7.836
  522    HB2  GLU  64           2HB      GLU  64  -0.588 -11.911  10.498
  523    HB3  GLU  64           1HB      GLU  64  -2.298 -11.777  10.109
  524    HG2  GLU  64           2HG      GLU  64  -1.757 -13.423   8.196
  525    HG3  GLU  64           1HG      GLU  64  -0.286 -13.760   9.113
  526    H    SER  65           H        SER  65   0.237  -8.644   8.193
  527    HA   SER  65           HA       SER  65  -1.041  -7.074  10.282
  528    HB2  SER  65           2HB      SER  65   0.884  -6.411   8.046
  529    HB3  SER  65           1HB      SER  65   0.204  -5.176   9.102
  530    HG   SER  65           HG       SER  65   1.851  -7.369   9.818
  531    H    THR  66           H        THR  66  -2.440  -5.258   9.924
  532    HA   THR  66           HA       THR  66  -4.106  -5.450   7.483
  533    HB   THR  66           HB       THR  66  -4.868  -4.338  10.190
  534    HG1  THR  66           1HG      THR  66  -5.502  -6.283  10.756
  535   HG21  THR  66          3HG2      THR  66  -7.188  -4.996   9.319
  536   HG22  THR  66          1HG2      THR  66  -6.436  -5.023   7.724
  537   HG23  THR  66          2HG2      THR  66  -6.451  -3.533   8.666
  538    H    LEU  67           H        LEU  67  -4.039  -3.756   6.117
  539    HA   LEU  67           HA       LEU  67  -3.078  -1.117   7.027
  540    HB2  LEU  67           2HB      LEU  67  -3.291  -2.093   4.167
  541    HB3  LEU  67           1HB      LEU  67  -2.522  -0.629   4.747
  542    HG   LEU  67           HG       LEU  67  -0.954  -2.383   6.034
  543   HD11  LEU  67          1HD1      LEU  67  -0.512  -4.334   4.597
  544   HD12  LEU  67          2HD1      LEU  67  -1.995  -3.968   3.716
  545   HD13  LEU  67          3HD1      LEU  67  -2.066  -4.385   5.427
  546   HD21  LEU  67          3HD2      LEU  67  -0.728  -1.621   3.133
  547   HD22  LEU  67          1HD2      LEU  67   0.578  -2.340   4.078
  548   HD23  LEU  67          2HD2      LEU  67  -0.068  -0.761   4.526
  549    H    HIS  68           H        HIS  68  -4.288   0.746   6.216
  550    HA   HIS  68           HA       HIS  68  -7.121   0.141   5.620
  551    HB2  HIS  68           2HB      HIS  68  -5.848   2.480   7.060
  552    HB3  HIS  68           1HB      HIS  68  -7.549   2.405   6.640
  553    HD1  HIS  68           1HD      HIS  68  -4.986   0.783   8.870
  554    HD2  HIS  68           2HD      HIS  68  -9.113   0.928   8.402
  555    HE1  HIS  68           1HE      HIS  68  -5.928  -0.358  10.896
  556    H    LEU  69           H        LEU  69  -8.048   0.973   3.799
  557    HA   LEU  69           HA       LEU  69  -6.385   2.717   2.076
  558    HB2  LEU  69           2HB      LEU  69  -7.050   0.478   1.188
  559    HB3  LEU  69           1HB      LEU  69  -8.729   0.937   1.367
  560    HG   LEU  69           HG       LEU  69  -8.305   2.768  -0.291
  561   HD11  LEU  69          1HD1      LEU  69  -5.692   1.326  -0.677
  562   HD12  LEU  69          2HD1      LEU  69  -5.893   2.954  -0.028
  563   HD13  LEU  69          3HD1      LEU  69  -6.322   2.613  -1.704
  564   HD21  LEU  69          3HD2      LEU  69  -8.322   1.288  -2.239
  565   HD22  LEU  69          1HD2      LEU  69  -9.371   0.689  -0.955
  566   HD23  LEU  69          2HD2      LEU  69  -7.791  -0.049  -1.219
  567    H    VAL  70           H        VAL  70  -7.083   4.780   1.676
  568    HA   VAL  70           HA       VAL  70  -9.852   5.522   2.245
  569    HB   VAL  70           HB       VAL  70  -7.229   6.843   2.844
  570   HG11  VAL  70          1HG1      VAL  70  -8.346   8.994   3.428
  571   HG12  VAL  70          2HG1      VAL  70  -9.832   8.387   2.698
  572   HG13  VAL  70          3HG1      VAL  70  -8.405   8.660   1.697
  573   HG21  VAL  70          3HG2      VAL  70  -8.315   5.489   4.524
  574   HG22  VAL  70          1HG2      VAL  70  -9.669   6.620   4.539
  575   HG23  VAL  70          2HG2      VAL  70  -8.061   7.157   5.031
  576    H    LEU  71           H        LEU  71 -10.889   6.627   0.583
  577    HA   LEU  71           HA       LEU  71  -9.423   6.859  -1.955
  578    HB2  LEU  71           2HB      LEU  71 -12.398   6.835  -1.436
  579    HB3  LEU  71           1HB      LEU  71 -11.641   6.886  -3.017
  580    HG   LEU  71           HG       LEU  71 -11.234   4.600  -1.092
  581   HD11  LEU  71          1HD1      LEU  71 -13.208   4.752  -3.366
  582   HD12  LEU  71          2HD1      LEU  71 -13.624   4.825  -1.653
  583   HD13  LEU  71          3HD1      LEU  71 -12.903   3.362  -2.323
  584   HD21  LEU  71          3HD2      LEU  71 -10.481   3.406  -3.062
  585   HD22  LEU  71          1HD2      LEU  71  -9.542   4.884  -2.853
  586   HD23  LEU  71          2HD2      LEU  71 -10.816   4.813  -4.071
  587    H    ARG  72           H        ARG  72  -9.001   8.763  -2.903
  588    HA   ARG  72           HA       ARG  72  -9.983  11.226  -1.635
  589    HB2  ARG  72           2HB      ARG  72  -7.511  10.777  -2.064
  590    HB3  ARG  72           1HB      ARG  72  -7.864  10.980  -3.774
  591    HG2  ARG  72           2HG      ARG  72  -8.678  13.256  -3.310
  592    HG3  ARG  72           1HG      ARG  72  -8.244  13.042  -1.612
  593    HD2  ARG  72           2HD      ARG  72  -5.920  12.761  -2.201
  594    HD3  ARG  72           1HD      ARG  72  -6.315  12.829  -3.917
  595    HE   ARG  72           HE       ARG  72  -5.992  15.041  -2.127
  596   HH11  ARG  72          1HH1      ARG  72  -7.597  14.094  -5.147
  597   HH12  ARG  72          2HH1      ARG  72  -7.727  15.726  -5.701
  598   HH21  ARG  72          1HH2      ARG  72  -6.197  17.152  -2.907
  599   HH22  ARG  72          2HH2      ARG  72  -6.940  17.446  -4.445
  600    H    LEU  73           H        LEU  73 -11.932  11.833  -2.458
  601    HA   LEU  73           HA       LEU  73 -12.110  12.542  -5.259
  602    HB2  LEU  73           2HB      LEU  73 -12.762  10.031  -4.915
  603    HB3  LEU  73           1HB      LEU  73 -14.264  10.681  -4.289
  604    HG   LEU  73           HG       LEU  73 -13.195  11.364  -7.031
  605   HD11  LEU  73          1HD1      LEU  73 -13.559   8.983  -6.989
  606   HD12  LEU  73          2HD1      LEU  73 -14.870   9.751  -7.884
  607   HD13  LEU  73          3HD1      LEU  73 -15.136   9.199  -6.230
  608   HD21  LEU  73          3HD2      LEU  73 -15.626  11.922  -7.399
  609   HD22  LEU  73          1HD2      LEU  73 -14.762  12.986  -6.291
  610   HD23  LEU  73          2HD2      LEU  73 -15.846  11.749  -5.657
  611    H    ARG  74           H        ARG  74 -13.050  14.500  -5.301
  612    HA   ARG  74           HA       ARG  74 -15.430  15.056  -3.713
  613    HB2  ARG  74           2HB      ARG  74 -12.846  16.578  -3.410
  614    HB3  ARG  74           1HB      ARG  74 -14.400  17.248  -2.931
  615    HG2  ARG  74           2HG      ARG  74 -14.709  15.391  -1.361
  616    HG3  ARG  74           1HG      ARG  74 -13.135  14.744  -1.831
  617    HD2  ARG  74           2HD      ARG  74 -13.485  17.527  -0.735
  618    HD3  ARG  74           1HD      ARG  74 -13.217  16.125   0.297
  619    HE   ARG  74           HE       ARG  74 -11.260  16.485  -1.812
  620   HH11  ARG  74          1HH1      ARG  74 -11.980  17.229   1.587
  621   HH12  ARG  74          2HH1      ARG  74 -10.317  17.489   1.977
  622   HH21  ARG  74          1HH2      ARG  74  -9.110  16.838  -1.231
  623   HH22  ARG  74          2HH2      ARG  74  -8.704  17.274   0.396
  624    H    GLY  75           H        GLY  75 -12.981  16.681  -5.757
  625    HA2  GLY  75           2HA      GLY  75 -14.805  17.185  -7.888
  626    HA3  GLY  75           1HA      GLY  75 -14.617  18.622  -6.898
  627    H    GLY  76           H        GLY  76 -13.867  19.354  -9.167
  628    HA2  GLY  76           2HA      GLY  76 -12.085  20.309 -10.275
  629    HA3  GLY  76           1HA      GLY  76 -11.000  19.563  -9.112
  Start of MODEL   13
    1    H1   MET   1           1HT      MET   1   5.838 -13.482   2.075
    2    H2   MET   1           2HT      MET   1   5.048 -12.127   1.384
    3    H3   MET   1           3HT      MET   1   4.475 -13.706   1.060
    4    HA   MET   1           HA       MET   1   3.896 -14.012   3.303
    5    HB2  MET   1           2HB      MET   1   4.024 -12.083   4.878
    6    HB3  MET   1           1HB      MET   1   5.597 -12.650   4.360
    7    HG2  MET   1           2HG      MET   1   5.785 -10.776   2.818
    8    HG3  MET   1           1HG      MET   1   4.173 -10.232   3.281
    9    HE1  MET   1           2HE      MET   1   5.370  -7.474   5.419
   10    HE2  MET   1           3HE      MET   1   4.044  -8.212   4.521
   11    HE3  MET   1           1HE      MET   1   5.542  -7.784   3.692
   12    H    GLN   2           H        GLN   2   1.768 -13.448   4.044
   13    HA   GLN   2           HA       GLN   2   0.140 -12.000   2.058
   14    HB2  GLN   2           2HB      GLN   2  -0.618 -13.834   4.341
   15    HB3  GLN   2           1HB      GLN   2  -1.772 -13.044   3.277
   16    HG2  GLN   2           2HG      GLN   2  -0.803 -14.225   1.362
   17    HG3  GLN   2           1HG      GLN   2   0.327 -15.034   2.446
   18   HE21  GLN   2          1HE2      GLN   2  -2.387 -15.584   0.745
   19   HE22  GLN   2          2HE2      GLN   2  -3.153 -16.743   1.772
   20    H    ILE   3           H        ILE   3  -1.142 -10.254   2.538
   21    HA   ILE   3           HA       ILE   3  -1.114  -9.148   5.258
   22    HB   ILE   3           HB       ILE   3  -0.779  -6.880   4.420
   23   HG12  ILE   3          2HG1      ILE   3   0.124  -8.025   1.765
   24   HG13  ILE   3          1HG1      ILE   3  -1.524  -7.453   2.000
   25   HG21  ILE   3          1HG2      ILE   3   1.637  -7.082   3.949
   26   HG22  ILE   3          2HG2      ILE   3   1.421  -8.819   3.729
   27   HG23  ILE   3          3HG2      ILE   3   1.103  -8.083   5.300
   28   HD11  ILE   3          3HD1      ILE   3   0.844  -5.723   2.584
   29   HD12  ILE   3          1HD1      ILE   3  -0.833  -5.249   2.322
   30   HD13  ILE   3          2HD1      ILE   3   0.137  -5.840   0.972
   31    H    PHE   4           H        PHE   4  -2.979  -7.439   5.525
   32    HA   PHE   4           HA       PHE   4  -5.240  -8.071   3.730
   33    HB2  PHE   4           2HB      PHE   4  -5.263  -7.635   6.727
   34    HB3  PHE   4           1HB      PHE   4  -6.687  -7.847   5.731
   35    HD1  PHE   4           1HD      PHE   4  -7.183 -10.025   4.699
   36    HD2  PHE   4           2HD      PHE   4  -3.905  -9.519   7.369
   37    HE1  PHE   4           1HE      PHE   4  -7.038 -12.465   4.979
   38    HE2  PHE   4           2HE      PHE   4  -3.757 -11.958   7.655
   39    HZ   PHE   4           HZ       PHE   4  -5.324 -13.434   6.459
   40    H    VAL   5           H        VAL   5  -6.495  -6.348   3.032
   41    HA   VAL   5           HA       VAL   5  -5.822  -3.650   4.083
   42    HB   VAL   5           HB       VAL   5  -6.672  -4.252   1.229
   43   HG11  VAL   5          1HG1      VAL   5  -5.656  -1.670   2.453
   44   HG12  VAL   5          2HG1      VAL   5  -7.344  -2.002   2.069
   45   HG13  VAL   5          3HG1      VAL   5  -6.149  -1.908   0.776
   46   HG21  VAL   5          3HG2      VAL   5  -4.429  -5.068   1.517
   47   HG22  VAL   5          1HG2      VAL   5  -3.948  -3.600   2.371
   48   HG23  VAL   5          2HG2      VAL   5  -4.342  -3.535   0.649
   49    H    LYS   6           H        LYS   6  -7.531  -2.624   5.018
   50    HA   LYS   6           HA       LYS   6 -10.252  -3.663   4.564
   51    HB2  LYS   6           2HB      LYS   6  -8.872  -2.409   6.905
   52    HB3  LYS   6           1HB      LYS   6 -10.587  -2.054   6.710
   53    HG2  LYS   6           2HG      LYS   6 -10.822  -4.639   6.500
   54    HG3  LYS   6           1HG      LYS   6  -9.235  -4.679   7.261
   55    HD2  LYS   6           2HD      LYS   6 -11.730  -3.406   8.392
   56    HD3  LYS   6           1HD      LYS   6 -11.027  -4.938   8.895
   57    HE2  LYS   6           2HE      LYS   6  -8.898  -3.410   9.332
   58    HE3  LYS   6           1HE      LYS   6 -10.133  -2.156   9.455
   59    HZ1  LYS   6           3HZ      LYS   6  -9.999  -4.654  11.055
   60    HZ2  LYS   6           1HZ      LYS   6 -11.254  -3.523  11.135
   61    HZ3  LYS   6           2HZ      LYS   6  -9.692  -3.085  11.611
   62    H    THR   7           H        THR   7 -11.835  -2.389   3.710
   63    HA   THR   7           HA       THR   7 -11.061   0.310   2.828
   64    HB   THR   7           HB       THR   7 -12.746   0.155   1.138
   65    HG1  THR   7           1HG      THR   7 -14.379  -1.218   1.183
   66   HG21  THR   7          3HG2      THR   7 -12.128  -1.700  -0.181
   67   HG22  THR   7          1HG2      THR   7 -11.581  -2.605   1.229
   68   HG23  THR   7          2HG2      THR   7 -10.693  -1.175   0.700
   69    H    LEU   8           H        LEU   8 -12.726   2.049   2.821
   70    HA   LEU   8           HA       LEU   8 -13.760   2.487   5.398
   71    HB2  LEU   8           2HB      LEU   8 -14.653   3.829   2.851
   72    HB3  LEU   8           1HB      LEU   8 -14.959   4.424   4.472
   73    HG   LEU   8           HG       LEU   8 -12.199   4.014   3.373
   74   HD11  LEU   8          1HD1      LEU   8 -12.103   6.406   2.961
   75   HD12  LEU   8          2HD1      LEU   8 -13.786   6.569   3.459
   76   HD13  LEU   8          3HD1      LEU   8 -13.383   5.659   2.004
   77   HD21  LEU   8          3HD2      LEU   8 -11.529   5.486   5.204
   78   HD22  LEU   8          1HD2      LEU   8 -12.356   4.050   5.808
   79   HD23  LEU   8          2HD2      LEU   8 -13.207   5.592   5.733
   80    H    THR   9           H        THR   9 -15.190   0.532   3.031
   81    HA   THR   9           HA       THR   9 -17.923   0.803   4.082
   82    HB   THR   9           HB       THR   9 -18.694  -0.553   2.222
   83    HG1  THR   9           1HG      THR   9 -17.381  -1.661   0.961
   84   HG21  THR   9          3HG2      THR   9 -16.825   1.654   1.445
   85   HG22  THR   9          1HG2      THR   9 -18.589   1.640   1.453
   86   HG23  THR   9          2HG2      THR   9 -17.707   0.724   0.231
   87    H    GLY  10           H        GLY  10 -15.183  -1.059   4.780
   88    HA2  GLY  10           2HA      GLY  10 -15.155  -2.531   6.601
   89    HA3  GLY  10           1HA      GLY  10 -16.828  -2.944   6.297
   90    H    LYS  11           H        LYS  11 -15.040  -3.020   3.359
   91    HA   LYS  11           HA       LYS  11 -15.168  -5.904   3.339
   92    HB2  LYS  11           2HB      LYS  11 -15.758  -4.416   1.343
   93    HB3  LYS  11           1HB      LYS  11 -14.035  -4.153   1.150
   94    HG2  LYS  11           2HG      LYS  11 -13.745  -6.617   0.934
   95    HG3  LYS  11           1HG      LYS  11 -15.503  -6.775   0.962
   96    HD2  LYS  11           2HD      LYS  11 -15.631  -5.293  -1.016
   97    HD3  LYS  11           1HD      LYS  11 -13.868  -5.244  -1.062
   98    HE2  LYS  11           2HE      LYS  11 -14.505  -6.867  -2.644
   99    HE3  LYS  11           1HE      LYS  11 -13.935  -7.768  -1.241
  100    HZ1  LYS  11           3HZ      LYS  11 -15.949  -8.750  -2.049
  101    HZ2  LYS  11           1HZ      LYS  11 -16.764  -7.268  -1.995
  102    HZ3  LYS  11           2HZ      LYS  11 -16.279  -8.019  -0.561
  103    H    THR  12           H        THR  12 -13.338  -7.293   3.242
  104    HA   THR  12           HA       THR  12 -10.697  -6.031   3.751
  105    HB   THR  12           HB       THR  12 -11.612  -8.771   4.678
  106    HG1  THR  12           1HG      THR  12 -12.080  -7.883   6.601
  107   HG21  THR  12          3HG2      THR  12  -9.174  -7.122   5.312
  108   HG22  THR  12          1HG2      THR  12  -9.245  -8.762   4.669
  109   HG23  THR  12          2HG2      THR  12  -9.720  -8.448   6.338
  110    H    ILE  13           H        ILE  13  -9.173  -6.398   2.245
  111    HA   ILE  13           HA       ILE  13  -9.565  -8.600   0.299
  112    HB   ILE  13           HB       ILE  13  -7.665  -6.288  -0.210
  113   HG12  ILE  13          2HG1      ILE  13 -10.545  -6.260  -1.152
  114   HG13  ILE  13          1HG1      ILE  13  -9.988  -5.358   0.250
  115   HG21  ILE  13          1HG2      ILE  13  -9.231  -7.984  -2.148
  116   HG22  ILE  13          2HG2      ILE  13  -7.619  -8.396  -1.567
  117   HG23  ILE  13          3HG2      ILE  13  -7.870  -6.918  -2.497
  118   HD11  ILE  13          3HD1      ILE  13 -10.167  -4.038  -1.856
  119   HD12  ILE  13          1HD1      ILE  13  -8.841  -5.004  -2.503
  120   HD13  ILE  13          2HD1      ILE  13  -8.582  -3.990  -1.082
  121    H    THR  14           H        THR  14  -7.902 -10.109   0.003
  122    HA   THR  14           HA       THR  14  -5.620  -9.921   1.858
  123    HB   THR  14           HB       THR  14  -6.534 -12.406   0.393
  124    HG1  THR  14           1HG      THR  14  -8.271 -12.139   1.585
  125   HG21  THR  14          3HG2      THR  14  -5.108 -12.152   3.026
  126   HG22  THR  14          1HG2      THR  14  -4.289 -12.399   1.485
  127   HG23  THR  14          2HG2      THR  14  -5.409 -13.619   2.094
  128    H    LEU  15           H        LEU  15  -3.590  -9.700   1.057
  129    HA   LEU  15           HA       LEU  15  -3.212 -10.086  -1.856
  130    HB2  LEU  15           2HB      LEU  15  -1.998  -7.900  -0.161
  131    HB3  LEU  15           1HB      LEU  15  -1.700  -8.154  -1.869
  132    HG   LEU  15           HG       LEU  15  -4.421  -7.492  -0.737
  133   HD11  LEU  15          1HD1      LEU  15  -2.973  -5.637  -0.271
  134   HD12  LEU  15          2HD1      LEU  15  -4.012  -5.220  -1.633
  135   HD13  LEU  15          3HD1      LEU  15  -2.330  -5.672  -1.914
  136   HD21  LEU  15          3HD2      LEU  15  -4.376  -8.642  -2.933
  137   HD22  LEU  15          1HD2      LEU  15  -3.376  -7.332  -3.563
  138   HD23  LEU  15          2HD2      LEU  15  -5.020  -7.004  -3.020
  139    H    GLU  16           H        GLU  16  -1.249 -10.915  -2.552
  140    HA   GLU  16           HA       GLU  16   0.510 -12.077  -0.485
  141    HB2  GLU  16           2HB      GLU  16  -0.461 -13.555  -2.333
  142    HB3  GLU  16           1HB      GLU  16   0.553 -12.670  -3.462
  143    HG2  GLU  16           2HG      GLU  16   2.542 -13.425  -2.349
  144    HG3  GLU  16           1HG      GLU  16   1.587 -14.187  -1.079
  145    H    VAL  17           H        VAL  17   2.387 -10.953  -0.086
  146    HA   VAL  17           HA       VAL  17   3.571  -9.282  -2.219
  147    HB   VAL  17           HB       VAL  17   3.935  -7.457  -0.565
  148   HG11  VAL  17          1HG1      VAL  17   2.145  -7.301  -2.175
  149   HG12  VAL  17          2HG1      VAL  17   1.629  -6.605  -0.640
  150   HG13  VAL  17          3HG1      VAL  17   1.070  -8.209  -1.112
  151   HG21  VAL  17          3HG2      VAL  17   3.667  -8.828   1.503
  152   HG22  VAL  17          1HG2      VAL  17   1.939  -8.933   1.168
  153   HG23  VAL  17          2HG2      VAL  17   2.677  -7.368   1.506
  154    H    GLU  18           H        GLU  18   5.774  -8.458  -1.598
  155    HA   GLU  18           HA       GLU  18   7.259 -10.310   0.171
  156    HB2  GLU  18           2HB      GLU  18   8.144  -8.936  -2.392
  157    HB3  GLU  18           1HB      GLU  18   9.245  -9.763  -1.299
  158    HG2  GLU  18           2HG      GLU  18   6.899 -11.120  -2.598
  159    HG3  GLU  18           1HG      GLU  18   8.503 -11.057  -3.326
  160    HA   PRO  19           HA       PRO  19   8.141  -6.698   2.608
  161    HB2  PRO  19           2HB      PRO  19  10.964  -7.525   2.977
  162    HB3  PRO  19           1HB      PRO  19   9.696  -7.209   4.170
  163    HG2  PRO  19           2HG      PRO  19  10.476  -9.717   3.592
  164    HG3  PRO  19           1HG      PRO  19   8.789  -9.323   3.965
  165    HD2  PRO  19           2HD      PRO  19  10.052  -9.823   1.277
  166    HD3  PRO  19           1HD      PRO  19   8.470 -10.352   1.906
  167    H    SER  20           H        SER  20  10.370  -7.381  -0.049
  168    HA   SER  20           HA       SER  20  11.505  -4.712  -0.077
  169    HB2  SER  20           2HB      SER  20  12.665  -6.899  -0.788
  170    HB3  SER  20           1HB      SER  20  11.797  -6.704  -2.310
  171    HG   SER  20           HG       SER  20  13.480  -5.502  -2.760
  172    H    ASP  21           H        ASP  21   8.440  -5.729  -1.031
  173    HA   ASP  21           HA       ASP  21   8.249  -4.487  -3.608
  174    HB2  ASP  21           2HB      ASP  21   6.215  -5.491  -1.623
  175    HB3  ASP  21           1HB      ASP  21   5.709  -4.574  -3.035
  176    H    THR  22           H        THR  22   7.483  -2.431  -4.100
  177    HA   THR  22           HA       THR  22   7.687  -0.394  -2.033
  178    HB   THR  22           HB       THR  22   7.489   1.207  -3.856
  179    HG1  THR  22           1HG      THR  22   6.883   0.652  -5.818
  180   HG21  THR  22          3HG2      THR  22   9.348  -0.871  -4.920
  181   HG22  THR  22          1HG2      THR  22   9.693  -0.021  -3.414
  182   HG23  THR  22          2HG2      THR  22   9.514   0.885  -4.917
  183    H    ILE  23           H        ILE  23   6.040   1.259  -1.713
  184    HA   ILE  23           HA       ILE  23   3.402   0.275  -1.316
  185    HB   ILE  23           HB       ILE  23   4.453   3.103  -1.396
  186   HG12  ILE  23          2HG1      ILE  23   5.484   1.736   0.317
  187   HG13  ILE  23          1HG1      ILE  23   4.456   2.949   1.060
  188   HG21  ILE  23          1HG2      ILE  23   1.794   2.214  -0.291
  189   HG22  ILE  23          2HG2      ILE  23   2.031   3.166  -1.756
  190   HG23  ILE  23          3HG2      ILE  23   2.473   3.838  -0.187
  191   HD11  ILE  23          3HD1      ILE  23   2.688   1.135   1.245
  192   HD12  ILE  23          1HD1      ILE  23   4.100   0.993   2.291
  193   HD13  ILE  23          2HD1      ILE  23   3.972  -0.005   0.841
  194    H    GLU  24           H        GLU  24   4.756   2.228  -4.014
  195    HA   GLU  24           HA       GLU  24   2.365   2.653  -5.502
  196    HB2  GLU  24           2HB      GLU  24   4.640   3.680  -5.983
  197    HB3  GLU  24           1HB      GLU  24   5.119   2.137  -6.670
  198    HG2  GLU  24           2HG      GLU  24   2.684   3.545  -7.702
  199    HG3  GLU  24           1HG      GLU  24   4.282   4.077  -8.204
  200    H    ASN  25           H        ASN  25   4.531  -0.178  -5.342
  201    HA   ASN  25           HA       ASN  25   3.200  -1.663  -7.434
  202    HB2  ASN  25           2HB      ASN  25   5.578  -2.079  -6.468
  203    HB3  ASN  25           1HB      ASN  25   4.750  -2.945  -5.178
  204   HD21  ASN  25          1HD2      ASN  25   3.868  -4.982  -5.594
  205   HD22  ASN  25          2HD2      ASN  25   4.105  -5.800  -7.097
  206    H    VAL  26           H        VAL  26   2.770  -1.521  -3.908
  207    HA   VAL  26           HA       VAL  26   0.768  -3.581  -3.753
  208    HB   VAL  26           HB       VAL  26   1.271  -1.212  -1.905
  209   HG11  VAL  26          1HG1      VAL  26   0.023  -2.491  -0.199
  210   HG12  VAL  26          2HG1      VAL  26  -0.409  -3.683  -1.425
  211   HG13  VAL  26          3HG1      VAL  26  -1.002  -2.027  -1.558
  212   HG21  VAL  26          3HG2      VAL  26   2.042  -4.087  -1.483
  213   HG22  VAL  26          1HG2      VAL  26   2.536  -2.676  -0.551
  214   HG23  VAL  26          2HG2      VAL  26   3.121  -2.889  -2.199
  215    H    LYS  27           H        LYS  27   0.519  -0.043  -4.327
  216    HA   LYS  27           HA       LYS  27  -2.313   0.070  -4.419
  217    HB2  LYS  27           2HB      LYS  27  -0.295   1.753  -5.940
  218    HB3  LYS  27           1HB      LYS  27  -2.005   2.118  -5.815
  219    HG2  LYS  27           2HG      LYS  27  -1.319   2.053  -3.165
  220    HG3  LYS  27           1HG      LYS  27   0.196   2.641  -3.913
  221    HD2  LYS  27           2HD      LYS  27  -1.309   4.292  -5.144
  222    HD3  LYS  27           1HD      LYS  27  -2.524   3.864  -3.940
  223    HE2  LYS  27           2HE      LYS  27   0.255   4.795  -3.232
  224    HE3  LYS  27           1HE      LYS  27  -1.116   5.891  -3.410
  225    HZ1  LYS  27           3HZ      LYS  27  -2.233   4.841  -1.614
  226    HZ2  LYS  27           1HZ      LYS  27  -0.656   5.161  -1.090
  227    HZ3  LYS  27           2HZ      LYS  27  -1.097   3.591  -1.537
  228    H    ALA  28           H        ALA  28   0.099  -0.667  -6.956
  229    HA   ALA  28           HA       ALA  28  -1.692  -0.731  -9.146
  230    HB1  ALA  28           1HB      ALA  28   0.883  -2.274  -8.824
  231    HB2  ALA  28           2HB      ALA  28   0.714  -0.653  -9.499
  232    HB3  ALA  28           3HB      ALA  28   0.012  -2.035 -10.339
  233    H    LYS  29           H        LYS  29  -0.761  -3.248  -6.813
  234    HA   LYS  29           HA       LYS  29  -2.203  -5.450  -8.021
  235    HB2  LYS  29           2HB      LYS  29  -1.350  -5.019  -5.146
  236    HB3  LYS  29           1HB      LYS  29  -1.966  -6.526  -5.812
  237    HG2  LYS  29           2HG      LYS  29  -0.064  -6.837  -7.163
  238    HG3  LYS  29           1HG      LYS  29   0.466  -5.174  -6.933
  239    HD2  LYS  29           2HD      LYS  29   1.897  -6.305  -5.534
  240    HD3  LYS  29           1HD      LYS  29   0.626  -5.842  -4.409
  241    HE2  LYS  29           2HE      LYS  29   1.006  -8.068  -3.893
  242    HE3  LYS  29           1HE      LYS  29  -0.400  -8.149  -4.951
  243    HZ1  LYS  29           3HZ      LYS  29   2.409  -8.596  -5.811
  244    HZ2  LYS  29           1HZ      LYS  29   1.032  -8.741  -6.784
  245    HZ3  LYS  29           2HZ      LYS  29   1.281  -9.818  -5.505
  246    H    ILE  30           H        ILE  30  -3.119  -2.954  -5.648
  247    HA   ILE  30           HA       ILE  30  -5.753  -4.040  -5.152
  248    HB   ILE  30           HB       ILE  30  -4.605  -1.273  -4.671
  249   HG12  ILE  30          2HG1      ILE  30  -5.339  -3.565  -2.831
  250   HG13  ILE  30          1HG1      ILE  30  -3.711  -3.142  -3.338
  251   HG21  ILE  30          1HG2      ILE  30  -6.954  -0.862  -4.944
  252   HG22  ILE  30          2HG2      ILE  30  -6.662  -0.928  -3.207
  253   HG23  ILE  30          3HG2      ILE  30  -7.380  -2.310  -4.032
  254   HD11  ILE  30          3HD1      ILE  30  -5.454  -1.922  -1.294
  255   HD12  ILE  30          1HD1      ILE  30  -4.423  -0.823  -2.215
  256   HD13  ILE  30          2HD1      ILE  30  -3.705  -2.156  -1.310
  257    H    GLN  31           H        GLN  31  -4.482  -1.666  -7.529
  258    HA   GLN  31           HA       GLN  31  -6.950  -0.889  -8.744
  259    HB2  GLN  31           2HB      GLN  31  -4.762   0.233  -9.188
  260    HB3  GLN  31           1HB      GLN  31  -4.196  -1.220 -10.001
  261    HG2  GLN  31           2HG      GLN  31  -6.173  -0.820 -11.611
  262    HG3  GLN  31           1HG      GLN  31  -6.247   0.788 -10.895
  263   HE21  GLN  31          1HE2      GLN  31  -5.480  -0.295 -13.657
  264   HE22  GLN  31          2HE2      GLN  31  -3.961   0.464 -13.976
  265    H    ASP  32           H        ASP  32  -4.758  -3.617  -9.402
  266    HA   ASP  32           HA       ASP  32  -6.157  -4.704 -11.635
  267    HB2  ASP  32           2HB      ASP  32  -4.496  -6.235  -9.626
  268    HB3  ASP  32           1HB      ASP  32  -4.897  -6.761 -11.264
  269    H    LYS  33           H        LYS  33  -6.498  -5.396  -8.149
  270    HA   LYS  33           HA       LYS  33  -8.494  -7.452  -8.577
  271    HB2  LYS  33           2HB      LYS  33  -7.778  -6.026  -6.010
  272    HB3  LYS  33           1HB      LYS  33  -8.628  -7.549  -6.136
  273    HG2  LYS  33           2HG      LYS  33  -6.165  -7.946  -7.466
  274    HG3  LYS  33           1HG      LYS  33  -5.787  -7.026  -6.013
  275    HD2  LYS  33           2HD      LYS  33  -6.952  -8.713  -4.656
  276    HD3  LYS  33           1HD      LYS  33  -7.301  -9.636  -6.120
  277    HE2  LYS  33           2HE      LYS  33  -4.925  -9.951  -6.514
  278    HE3  LYS  33           1HE      LYS  33  -4.540  -8.958  -5.110
  279    HZ1  LYS  33           3HZ      LYS  33  -4.360 -11.225  -4.476
  280    HZ2  LYS  33           1HZ      LYS  33  -5.878 -11.607  -5.119
  281    HZ3  LYS  33           2HZ      LYS  33  -5.763 -10.623  -3.748
  282    H    GLU  34           H        GLU  34  -8.677  -4.065  -7.453
  283    HA   GLU  34           HA       GLU  34 -11.628  -4.302  -7.451
  284    HB2  GLU  34           2HB      GLU  34  -9.762  -2.613  -5.816
  285    HB3  GLU  34           1HB      GLU  34 -11.513  -2.397  -5.818
  286    HG2  GLU  34           2HG      GLU  34 -10.269  -5.060  -5.299
  287    HG3  GLU  34           1HG      GLU  34 -10.432  -3.870  -3.977
  288    H    GLY  35           H        GLY  35  -9.259  -2.762  -9.355
  289    HA2  GLY  35           2HA      GLY  35  -9.557  -1.347 -11.115
  290    HA3  GLY  35           1HA      GLY  35 -11.256  -1.265 -10.723
  291    H    ILE  36           H        ILE  36  -9.242  -0.317  -8.107
  292    HA   ILE  36           HA       ILE  36 -10.054   2.466  -8.370
  293    HB   ILE  36           HB       ILE  36  -8.329   1.241  -6.192
  294   HG12  ILE  36          2HG1      ILE  36 -11.290   1.669  -5.792
  295   HG13  ILE  36          1HG1      ILE  36 -10.740   0.196  -6.575
  296   HG21  ILE  36          1HG2      ILE  36  -8.411   3.738  -6.391
  297   HG22  ILE  36          2HG2      ILE  36  -8.969   3.112  -4.841
  298   HG23  ILE  36          3HG2      ILE  36 -10.138   3.653  -6.044
  299   HD11  ILE  36          3HD1      ILE  36 -10.997  -0.295  -4.287
  300   HD12  ILE  36          1HD1      ILE  36 -10.095   1.143  -3.805
  301   HD13  ILE  36          2HD1      ILE  36  -9.262  -0.197  -4.592
  302    HA   PRO  37           HA       PRO  37  -6.033   3.329 -10.377
  303    HB2  PRO  37           2HB      PRO  37  -6.691   6.213 -10.084
  304    HB3  PRO  37           1HB      PRO  37  -6.392   5.274 -11.550
  305    HG2  PRO  37           2HG      PRO  37  -8.847   6.138 -10.909
  306    HG3  PRO  37           1HG      PRO  37  -8.583   4.580 -11.713
  307    HD2  PRO  37           2HD      PRO  37  -9.121   5.136  -8.809
  308    HD3  PRO  37           1HD      PRO  37  -9.812   3.889  -9.866
  309    HA   PRO  38           HA       PRO  38  -3.462   4.015  -6.815
  310    HB2  PRO  38           2HB      PRO  38  -1.378   5.198  -8.631
  311    HB3  PRO  38           1HB      PRO  38  -1.249   3.818  -7.534
  312    HG2  PRO  38           2HG      PRO  38  -1.391   3.457 -10.161
  313    HG3  PRO  38           1HG      PRO  38  -2.220   2.359  -9.044
  314    HD2  PRO  38           2HD      PRO  38  -3.347   4.601 -10.687
  315    HD3  PRO  38           1HD      PRO  38  -4.001   2.976 -10.400
  316    H    ASP  39           H        ASP  39  -3.779   6.785  -9.030
  317    HA   ASP  39           HA       ASP  39  -2.755   8.674  -7.196
  318    HB2  ASP  39           2HB      ASP  39  -3.019   8.963  -9.718
  319    HB3  ASP  39           1HB      ASP  39  -4.703   9.348  -9.401
  320    H    GLN  40           H        GLN  40  -5.859   7.113  -7.238
  321    HA   GLN  40           HA       GLN  40  -7.119   9.202  -5.607
  322    HB2  GLN  40           2HB      GLN  40  -8.145   6.790  -7.085
  323    HB3  GLN  40           1HB      GLN  40  -9.160   7.620  -5.931
  324    HG2  GLN  40           2HG      GLN  40  -9.543   8.233  -8.330
  325    HG3  GLN  40           1HG      GLN  40  -9.311   9.545  -7.174
  326   HE21  GLN  40          1HE2      GLN  40  -7.945  11.151  -7.822
  327   HE22  GLN  40          2HE2      GLN  40  -6.758  10.998  -9.068
  328    H    GLN  41           H        GLN  41  -5.221   6.481  -5.061
  329    HA   GLN  41           HA       GLN  41  -6.697   5.492  -2.709
  330    HB2  GLN  41           2HB      GLN  41  -4.488   4.401  -4.417
  331    HB3  GLN  41           1HB      GLN  41  -4.860   3.688  -2.851
  332    HG2  GLN  41           2HG      GLN  41  -7.228   3.440  -3.677
  333    HG3  GLN  41           1HG      GLN  41  -6.620   3.872  -5.274
  334   HE21  GLN  41          1HE2      GLN  41  -5.979   2.216  -6.548
  335   HE22  GLN  41          2HE2      GLN  41  -5.545   0.645  -5.976
  336    H    ARG  42           H        ARG  42  -6.005   5.734  -0.631
  337    HA   ARG  42           HA       ARG  42  -3.272   6.695  -0.149
  338    HB2  ARG  42           2HB      ARG  42  -5.748   7.450   1.434
  339    HB3  ARG  42           1HB      ARG  42  -4.105   7.916   1.847
  340    HG2  ARG  42           2HG      ARG  42  -3.965   9.181  -0.260
  341    HG3  ARG  42           1HG      ARG  42  -5.644   8.756  -0.597
  342    HD2  ARG  42           2HD      ARG  42  -6.422   9.977   1.284
  343    HD3  ARG  42           1HD      ARG  42  -4.788  10.183   1.911
  344    HE   ARG  42           HE       ARG  42  -5.240  11.371  -0.689
  345   HH11  ARG  42          1HH1      ARG  42  -5.349  12.012   2.805
  346   HH12  ARG  42          2HH1      ARG  42  -5.204  13.720   2.587
  347   HH21  ARG  42          1HH2      ARG  42  -5.057  13.610  -0.895
  348   HH22  ARG  42          2HH2      ARG  42  -5.034  14.618   0.513
  349    H    LEU  43           H        LEU  43  -2.114   5.342   1.199
  350    HA   LEU  43           HA       LEU  43  -3.614   3.195   2.580
  351    HB2  LEU  43           2HB      LEU  43  -0.791   3.271   1.488
  352    HB3  LEU  43           1HB      LEU  43  -1.452   1.979   2.476
  353    HG   LEU  43           HG       LEU  43  -2.586   2.773  -0.211
  354   HD11  LEU  43          1HD1      LEU  43  -0.719   0.500   0.451
  355   HD12  LEU  43          2HD1      LEU  43  -0.299   1.948  -0.465
  356   HD13  LEU  43          3HD1      LEU  43  -1.478   0.806  -1.111
  357   HD21  LEU  43          3HD2      LEU  43  -3.045   0.385   1.574
  358   HD22  LEU  43          1HD2      LEU  43  -3.652   0.540  -0.075
  359   HD23  LEU  43          2HD2      LEU  43  -4.207   1.651   1.177
  360    H    ILE  44           H        ILE  44  -3.532   3.008   4.725
  361    HA   ILE  44           HA       ILE  44  -1.633   4.673   6.271
  362    HB   ILE  44           HB       ILE  44  -4.380   3.935   7.287
  363   HG12  ILE  44          2HG1      ILE  44  -4.586   5.203   5.046
  364   HG13  ILE  44          1HG1      ILE  44  -5.505   5.740   6.428
  365   HG21  ILE  44          1HG2      ILE  44  -2.914   4.693   8.961
  366   HG22  ILE  44          2HG2      ILE  44  -4.069   5.987   8.646
  367   HG23  ILE  44          3HG2      ILE  44  -2.428   6.096   8.008
  368   HD11  ILE  44          3HD1      ILE  44  -3.775   7.535   6.740
  369   HD12  ILE  44          1HD1      ILE  44  -4.751   7.645   5.273
  370   HD13  ILE  44          2HD1      ILE  44  -3.095   7.036   5.190
  371    H    PHE  45           H        PHE  45  -0.499   3.662   7.848
  372    HA   PHE  45           HA       PHE  45  -1.416   1.062   8.867
  373    HB2  PHE  45           2HB      PHE  45   0.322   0.633   7.132
  374    HB3  PHE  45           1HB      PHE  45   1.445   1.649   8.021
  375    HD1  PHE  45           1HD      PHE  45  -0.769  -1.304   8.588
  376    HD2  PHE  45           2HD      PHE  45   2.963   0.566   9.430
  377    HE1  PHE  45           1HE      PHE  45  -0.085  -3.264   9.907
  378    HE2  PHE  45           2HE      PHE  45   3.652  -1.394  10.746
  379    HZ   PHE  45           HZ       PHE  45   2.127  -3.310  10.989
  380    H    ALA  46           H        ALA  46  -1.474   1.135  11.108
  381    HA   ALA  46           HA       ALA  46  -1.298   1.986  13.226
  382    HB1  ALA  46           1HB      ALA  46   0.893   1.958  14.118
  383    HB2  ALA  46           2HB      ALA  46   1.613   2.346  12.556
  384    HB3  ALA  46           3HB      ALA  46   0.874   0.767  12.816
  385    H    GLY  47           H        GLY  47  -2.336   3.922  11.613
  386    HA2  GLY  47           2HA      GLY  47  -2.901   6.129  11.745
  387    HA3  GLY  47           1HA      GLY  47  -1.735   6.307  13.034
  388    H    LYS  48           H        LYS  48  -0.038   5.125  10.350
  389    HA   LYS  48           HA       LYS  48   0.773   7.859   9.571
  390    HB2  LYS  48           2HB      LYS  48   2.442   5.381   9.186
  391    HB3  LYS  48           1HB      LYS  48   2.974   7.046   9.120
  392    HG2  LYS  48           2HG      LYS  48   2.708   7.288  11.508
  393    HG3  LYS  48           1HG      LYS  48   2.024   5.665  11.625
  394    HD2  LYS  48           2HD      LYS  48   4.162   4.755  10.759
  395    HD3  LYS  48           1HD      LYS  48   4.833   6.386  10.796
  396    HE2  LYS  48           2HE      LYS  48   4.555   6.501  13.183
  397    HE3  LYS  48           1HE      LYS  48   3.706   4.956  13.198
  398    HZ1  LYS  48           3HZ      LYS  48   6.046   4.784  13.889
  399    HZ2  LYS  48           1HZ      LYS  48   6.532   5.314  12.358
  400    HZ3  LYS  48           2HZ      LYS  48   5.708   3.846  12.523
  401    H    GLN  49           H        GLN  49   0.802   8.513   7.451
  402    HA   GLN  49           HA       GLN  49  -0.509   6.822   5.475
  403    HB2  GLN  49           2HB      GLN  49  -0.620   9.448   5.796
  404    HB3  GLN  49           1HB      GLN  49   0.809   9.449   4.776
  405    HG2  GLN  49           2HG      GLN  49  -0.515   8.133   3.094
  406    HG3  GLN  49           1HG      GLN  49  -1.938   8.434   4.092
  407   HE21  GLN  49          1HE2      GLN  49  -2.033  10.936   4.754
  408   HE22  GLN  49          2HE2      GLN  49  -1.880  12.000   3.402
  409    H    LEU  50           H        LEU  50   0.570   5.534   3.979
  410    HA   LEU  50           HA       LEU  50   3.467   5.370   4.115
  411    HB2  LEU  50           2HB      LEU  50   1.635   3.723   2.381
  412    HB3  LEU  50           1HB      LEU  50   3.284   3.366   2.835
  413    HG   LEU  50           HG       LEU  50   0.944   3.453   4.739
  414   HD11  LEU  50          1HD1      LEU  50   1.051   1.038   4.772
  415   HD12  LEU  50          2HD1      LEU  50   2.392   1.055   3.627
  416   HD13  LEU  50          3HD1      LEU  50   0.794   1.606   3.122
  417   HD21  LEU  50          3HD2      LEU  50   2.395   2.599   6.412
  418   HD22  LEU  50          1HD2      LEU  50   3.240   3.961   5.679
  419   HD23  LEU  50          2HD2      LEU  50   3.685   2.311   5.247
  420    H    GLU  51           H        GLU  51   4.936   5.991   2.561
  421    HA   GLU  51           HA       GLU  51   3.935   7.591   0.321
  422    HB2  GLU  51           2HB      GLU  51   6.706   7.187   1.463
  423    HB3  GLU  51           1HB      GLU  51   6.391   8.148   0.023
  424    HG2  GLU  51           2HG      GLU  51   5.279   9.797   1.184
  425    HG3  GLU  51           1HG      GLU  51   4.961   8.767   2.579
  426    H    ASP  52           H        ASP  52   4.291   7.251  -1.851
  427    HA   ASP  52           HA       ASP  52   4.340   4.588  -2.737
  428    HB2  ASP  52           2HB      ASP  52   4.651   7.159  -4.291
  429    HB3  ASP  52           1HB      ASP  52   4.485   5.569  -5.032
  430    H    GLY  53           H        GLY  53   7.059   6.785  -2.324
  431    HA2  GLY  53           2HA      GLY  53   8.831   5.146  -3.964
  432    HA3  GLY  53           1HA      GLY  53   9.269   6.580  -3.061
  433    H    ARG  54           H        ARG  54   7.674   4.624  -0.844
  434    HA   ARG  54           HA       ARG  54  10.234   3.478   0.120
  435    HB2  ARG  54           2HB      ARG  54   7.667   4.025   1.639
  436    HB3  ARG  54           1HB      ARG  54   9.124   3.335   2.327
  437    HG2  ARG  54           2HG      ARG  54   8.739   6.153   1.315
  438    HG3  ARG  54           1HG      ARG  54   8.970   5.618   2.967
  439    HD2  ARG  54           2HD      ARG  54  11.239   4.903   2.469
  440    HD3  ARG  54           1HD      ARG  54  11.034   5.354   0.778
  441    HE   ARG  54           HE       ARG  54  10.539   7.680   2.019
  442   HH11  ARG  54          1HH1      ARG  54  13.269   5.445   2.443
  443   HH12  ARG  54          2HH1      ARG  54  14.344   6.708   2.929
  444   HH21  ARG  54          1HH2      ARG  54  12.000   9.276   2.661
  445   HH22  ARG  54          2HH2      ARG  54  13.634   8.858   3.053
  446    H    THR  55           H        THR  55  10.061   1.379   1.330
  447    HA   THR  55           HA       THR  55   8.288  -0.519  -0.110
  448    HB   THR  55           HB       THR  55   9.837  -2.275   0.489
  449    HG1  THR  55           1HG      THR  55  11.579  -1.957   1.748
  450   HG21  THR  55          3HG2      THR  55  10.338  -0.738  -1.509
  451   HG22  THR  55          1HG2      THR  55  11.591  -1.843  -0.940
  452   HG23  THR  55          2HG2      THR  55  11.659  -0.133  -0.507
  453    H    LEU  56           H        LEU  56   7.604  -2.451   1.103
  454    HA   LEU  56           HA       LEU  56   6.107  -1.859   3.424
  455    HB2  LEU  56           2HB      LEU  56   7.017  -4.550   2.410
  456    HB3  LEU  56           1HB      LEU  56   5.783  -4.298   3.633
  457    HG   LEU  56           HG       LEU  56   5.584  -3.386   0.759
  458   HD11  LEU  56          1HD1      LEU  56   4.178  -5.681   2.107
  459   HD12  LEU  56          2HD1      LEU  56   5.590  -5.850   1.064
  460   HD13  LEU  56          3HD1      LEU  56   4.082  -5.212   0.410
  461   HD21  LEU  56          3HD2      LEU  56   3.140  -3.146   1.398
  462   HD22  LEU  56          1HD2      LEU  56   4.235  -1.954   2.099
  463   HD23  LEU  56          2HD2      LEU  56   3.653  -3.302   3.076
  464    H    SER  57           H        SER  57   9.360  -3.280   3.201
  465    HA   SER  57           HA       SER  57   9.554  -4.038   5.945
  466    HB2  SER  57           2HB      SER  57  11.942  -4.291   5.598
  467    HB3  SER  57           1HB      SER  57  11.032  -5.033   4.255
  468    HG   SER  57           HG       SER  57  12.590  -2.690   4.298
  469    H    ASP  58           H        ASP  58  10.203  -0.994   4.250
  470    HA   ASP  58           HA       ASP  58  11.736   0.295   6.253
  471    HB2  ASP  58           2HB      ASP  58   9.844   1.509   4.223
  472    HB3  ASP  58           1HB      ASP  58  10.969   2.431   5.207
  473    H    TYR  59           H        TYR  59   8.264  -0.246   6.056
  474    HA   TYR  59           HA       TYR  59   7.774   1.458   8.414
  475    HB2  TYR  59           2HB      TYR  59   5.923   0.133   6.413
  476    HB3  TYR  59           1HB      TYR  59   5.334   0.892   7.889
  477    HD1  TYR  59           1HD      TYR  59   5.675   3.339   8.236
  478    HD2  TYR  59           2HD      TYR  59   6.534   1.459   4.516
  479    HE1  TYR  59           1HE      TYR  59   5.666   5.534   7.132
  480    HE2  TYR  59           2HE      TYR  59   6.525   3.651   3.399
  481    HH   TYR  59           HH       TYR  59   5.231   6.363   4.659
  482    H    ASN  60           H        ASN  60   8.927  -1.556   8.175
  483    HA   ASN  60           HA       ASN  60   8.913  -3.448   9.375
  484    HB2  ASN  60           2HB      ASN  60   9.466  -1.843  11.158
  485    HB3  ASN  60           1HB      ASN  60   7.757  -1.605  11.487
  486   HD21  ASN  60          1HD2      ASN  60   7.939  -2.248  13.674
  487   HD22  ASN  60          2HD2      ASN  60   8.267  -3.883  14.125
  488    H    ILE  61           H        ILE  61   6.729  -3.250   7.614
  489    HA   ILE  61           HA       ILE  61   4.363  -4.236   9.005
  490    HB   ILE  61           HB       ILE  61   4.894  -3.944   6.021
  491   HG12  ILE  61          2HG1      ILE  61   3.108  -2.270   7.798
  492   HG13  ILE  61          1HG1      ILE  61   4.764  -1.822   7.425
  493   HG21  ILE  61          1HG2      ILE  61   2.303  -4.568   7.461
  494   HG22  ILE  61          2HG2      ILE  61   3.211  -5.675   6.432
  495   HG23  ILE  61          3HG2      ILE  61   2.458  -4.241   5.735
  496   HD11  ILE  61          3HD1      ILE  61   3.437  -0.581   5.955
  497   HD12  ILE  61          1HD1      ILE  61   2.418  -1.966   5.568
  498   HD13  ILE  61          2HD1      ILE  61   4.079  -1.905   4.983
  499    H    GLN  62           H        GLN  62   4.044  -6.316   9.501
  500    HA   GLN  62           HA       GLN  62   5.795  -8.410   8.343
  501    HB2  GLN  62           2HB      GLN  62   4.474  -8.104  11.046
  502    HB3  GLN  62           1HB      GLN  62   5.298  -9.570  10.529
  503    HG2  GLN  62           2HG      GLN  62   7.391  -8.474  10.437
  504    HG3  GLN  62           1HG      GLN  62   6.643  -6.886  10.608
  505   HE21  GLN  62          1HE2      GLN  62   8.507  -8.962  12.243
  506   HE22  GLN  62          2HE2      GLN  62   7.959  -8.668  13.856
  507    H    LYS  63           H        LYS  63   4.803 -10.690   8.559
  508    HA   LYS  63           HA       LYS  63   2.632 -10.966   6.888
  509    HB2  LYS  63           2HB      LYS  63   2.407 -13.310   7.669
  510    HB3  LYS  63           1HB      LYS  63   4.061 -12.867   7.260
  511    HG2  LYS  63           2HG      LYS  63   4.350 -12.408   9.769
  512    HG3  LYS  63           1HG      LYS  63   2.859 -13.326   9.968
  513    HD2  LYS  63           2HD      LYS  63   5.216 -14.413   8.442
  514    HD3  LYS  63           1HD      LYS  63   5.069 -14.588  10.191
  515    HE2  LYS  63           2HE      LYS  63   2.930 -15.741   9.893
  516    HE3  LYS  63           1HE      LYS  63   3.074 -15.557   8.145
  517    HZ1  LYS  63           3HZ      LYS  63   4.979 -16.970   8.135
  518    HZ2  LYS  63           1HZ      LYS  63   3.755 -17.765   8.992
  519    HZ3  LYS  63           2HZ      LYS  63   5.030 -17.029   9.824
  520    H    GLU  64           H        GLU  64   0.415 -11.258   7.045
  521    HA   GLU  64           HA       GLU  64  -1.697 -11.075   7.819
  522    HB2  GLU  64           2HB      GLU  64  -0.579 -11.951  10.482
  523    HB3  GLU  64           1HB      GLU  64  -2.288 -11.823  10.086
  524    HG2  GLU  64           2HG      GLU  64  -1.734 -13.458   8.168
  525    HG3  GLU  64           1HG      GLU  64  -0.261 -13.790   9.085
  526    H    SER  65           H        SER  65   0.243  -8.671   8.189
  527    HA   SER  65           HA       SER  65  -1.049  -7.118  10.283
  528    HB2  SER  65           2HB      SER  65   0.889  -6.434   8.065
  529    HB3  SER  65           1HB      SER  65   0.200  -5.208   9.127
  530    HG   SER  65           HG       SER  65   1.772  -5.730  10.423
  531    H    THR  66           H        THR  66  -2.441  -5.297   9.929
  532    HA   THR  66           HA       THR  66  -4.101  -5.484   7.484
  533    HB   THR  66           HB       THR  66  -4.865  -4.381  10.194
  534    HG1  THR  66           1HG      THR  66  -5.292  -6.990   9.140
  535   HG21  THR  66          3HG2      THR  66  -7.188  -5.088   9.292
  536   HG22  THR  66          1HG2      THR  66  -6.411  -5.007   7.710
  537   HG23  THR  66          2HG2      THR  66  -6.474  -3.573   8.733
  538    H    LEU  67           H        LEU  67  -4.032  -3.782   6.120
  539    HA   LEU  67           HA       LEU  67  -3.083  -1.141   7.043
  540    HB2  LEU  67           2HB      LEU  67  -3.286  -2.103   4.180
  541    HB3  LEU  67           1HB      LEU  67  -2.527  -0.638   4.767
  542    HG   LEU  67           HG       LEU  67  -0.953  -2.393   6.048
  543   HD11  LEU  67          1HD1      LEU  67  -0.494  -4.329   4.603
  544   HD12  LEU  67          2HD1      LEU  67  -1.969  -3.962   3.709
  545   HD13  LEU  67          3HD1      LEU  67  -2.058  -4.394   5.415
  546   HD21  LEU  67          3HD2      LEU  67  -0.072  -0.752   4.557
  547   HD22  LEU  67          1HD2      LEU  67  -0.721  -1.604   3.154
  548   HD23  LEU  67          2HD2      LEU  67   0.586  -2.322   4.097
  549    H    HIS  68           H        HIS  68  -4.284   0.724   6.235
  550    HA   HIS  68           HA       HIS  68  -7.118   0.130   5.629
  551    HB2  HIS  68           2HB      HIS  68  -5.835   2.454   7.082
  552    HB3  HIS  68           1HB      HIS  68  -7.534   2.396   6.663
  553    HD1  HIS  68           1HD      HIS  68  -4.985   0.864   8.939
  554    HD2  HIS  68           2HD      HIS  68  -9.101   0.810   8.362
  555    HE1  HIS  68           1HE      HIS  68  -5.925  -0.306  10.947
  556    H    LEU  69           H        LEU  69  -8.025   0.971   3.800
  557    HA   LEU  69           HA       LEU  69  -6.342   2.727   2.105
  558    HB2  LEU  69           2HB      LEU  69  -6.995   0.508   1.181
  559    HB3  LEU  69           1HB      LEU  69  -8.679   0.950   1.366
  560    HG   LEU  69           HG       LEU  69  -8.283   2.795  -0.272
  561   HD11  LEU  69          1HD1      LEU  69  -6.272   2.600  -1.714
  562   HD12  LEU  69          2HD1      LEU  69  -5.610   1.445  -0.557
  563   HD13  LEU  69          3HD1      LEU  69  -5.916   3.111  -0.064
  564   HD21  LEU  69          3HD2      LEU  69  -8.238   1.331  -2.238
  565   HD22  LEU  69          1HD2      LEU  69  -9.305   0.719  -0.975
  566   HD23  LEU  69          2HD2      LEU  69  -7.714  -0.005  -1.214
  567    H    VAL  70           H        VAL  70  -7.024   4.805   1.726
  568    HA   VAL  70           HA       VAL  70  -9.781   5.559   2.300
  569    HB   VAL  70           HB       VAL  70  -7.145   6.852   2.907
  570   HG11  VAL  70          1HG1      VAL  70  -8.242   8.995   3.548
  571   HG12  VAL  70          2HG1      VAL  70  -9.743   8.411   2.828
  572   HG13  VAL  70          3HG1      VAL  70  -8.330   8.694   1.813
  573   HG21  VAL  70          3HG2      VAL  70  -9.527   6.722   4.682
  574   HG22  VAL  70          1HG2      VAL  70  -7.844   7.049   5.103
  575   HG23  VAL  70          2HG2      VAL  70  -8.317   5.441   4.554
  576    H    LEU  71           H        LEU  71 -10.800   6.728   0.655
  577    HA   LEU  71           HA       LEU  71  -9.314   6.992  -1.870
  578    HB2  LEU  71           2HB      LEU  71 -12.292   6.974  -1.378
  579    HB3  LEU  71           1HB      LEU  71 -11.522   7.058  -2.951
  580    HG   LEU  71           HG       LEU  71 -11.146   4.723  -1.076
  581   HD11  LEU  71          1HD1      LEU  71 -13.105   4.948  -3.356
  582   HD12  LEU  71          2HD1      LEU  71 -13.528   4.970  -1.644
  583   HD13  LEU  71          3HD1      LEU  71 -12.811   3.526  -2.356
  584   HD21  LEU  71          3HD2      LEU  71 -10.389   3.570  -3.070
  585   HD22  LEU  71          1HD2      LEU  71  -9.440   5.037  -2.820
  586   HD23  LEU  71          2HD2      LEU  71 -10.707   5.004  -4.046
  587    H    ARG  72           H        ARG  72  -9.054   8.896  -2.931
  588    HA   ARG  72           HA       ARG  72  -9.809  11.348  -1.506
  589    HB2  ARG  72           2HB      ARG  72  -7.446  10.866  -2.345
  590    HB3  ARG  72           1HB      ARG  72  -8.069  11.130  -3.966
  591    HG2  ARG  72           2HG      ARG  72  -8.740  13.403  -3.322
  592    HG3  ARG  72           1HG      ARG  72  -8.066  13.130  -1.714
  593    HD2  ARG  72           2HD      ARG  72  -5.858  12.792  -2.677
  594    HD3  ARG  72           1HD      ARG  72  -6.521  12.994  -4.298
  595    HE   ARG  72           HE       ARG  72  -5.835  15.062  -2.437
  596   HH11  ARG  72          1HH1      ARG  72  -7.945  14.373  -5.206
  597   HH12  ARG  72          2HH1      ARG  72  -8.105  16.044  -5.620
  598   HH21  ARG  72          1HH2      ARG  72  -6.089  17.230  -3.032
  599   HH22  ARG  72          2HH2      ARG  72  -7.063  17.651  -4.400
  600    H    LEU  73           H        LEU  73 -11.795  12.118  -2.005
  601    HA   LEU  73           HA       LEU  73 -12.419  12.789  -4.755
  602    HB2  LEU  73           2HB      LEU  73 -13.194  10.352  -4.201
  603    HB3  LEU  73           1HB      LEU  73 -14.499  11.143  -3.340
  604    HG   LEU  73           HG       LEU  73 -13.897  11.671  -6.253
  605   HD11  LEU  73          1HD1      LEU  73 -14.431   9.332  -6.060
  606   HD12  LEU  73          2HD1      LEU  73 -15.822  10.185  -6.728
  607   HD13  LEU  73          3HD1      LEU  73 -15.820   9.694  -5.035
  608   HD21  LEU  73          3HD2      LEU  73 -16.213  12.312  -4.438
  609   HD22  LEU  73          1HD2      LEU  73 -16.306  12.420  -6.197
  610   HD23  LEU  73          2HD2      LEU  73 -15.172  13.435  -5.311
  611    H    ARG  74           H        ARG  74 -13.202  14.815  -4.708
  612    HA   ARG  74           HA       ARG  74 -15.218  15.597  -2.754
  613    HB2  ARG  74           2HB      ARG  74 -12.531  16.970  -2.918
  614    HB3  ARG  74           1HB      ARG  74 -13.934  17.636  -2.093
  615    HG2  ARG  74           2HG      ARG  74 -13.953  15.587  -0.656
  616    HG3  ARG  74           1HG      ARG  74 -12.414  15.137  -1.393
  617    HD2  ARG  74           2HD      ARG  74 -11.517  17.355  -0.654
  618    HD3  ARG  74           1HD      ARG  74 -13.014  17.594   0.244
  619    HE   ARG  74           HE       ARG  74 -12.278  16.117   1.828
  620   HH11  ARG  74          1HH1      ARG  74 -10.123  15.762  -0.971
  621   HH12  ARG  74          2HH1      ARG  74  -9.016  14.752  -0.109
  622   HH21  ARG  74          1HH2      ARG  74 -10.790  14.791   2.895
  623   HH22  ARG  74          2HH2      ARG  74  -9.388  14.206   2.062
  624    H    GLY  75           H        GLY  75 -15.888  17.989  -3.146
  625    HA2  GLY  75           2HA      GLY  75 -16.493  19.710  -4.561
  626    HA3  GLY  75           1HA      GLY  75 -15.415  19.055  -5.785
  627    H    GLY  76           H        GLY  76 -18.376  20.008  -5.683
  628    HA2  GLY  76           2HA      GLY  76 -19.916  17.682  -6.385
  629    HA3  GLY  76           1HA      GLY  76 -20.430  19.358  -6.504
  Start of MODEL   14
    1    H1   MET   1           1HT      MET   1   5.836 -13.467   2.054
    2    H2   MET   1           2HT      MET   1   5.041 -12.114   1.364
    3    H3   MET   1           3HT      MET   1   4.473 -13.696   1.044
    4    HA   MET   1           HA       MET   1   3.891 -14.001   3.285
    5    HB2  MET   1           2HB      MET   1   4.031 -12.075   4.865
    6    HB3  MET   1           1HB      MET   1   5.601 -12.647   4.347
    7    HG2  MET   1           2HG      MET   1   5.780 -10.771   2.793
    8    HG3  MET   1           1HG      MET   1   4.183 -10.213   3.293
    9    HE1  MET   1           2HE      MET   1   5.156  -7.592   5.584
   10    HE2  MET   1           3HE      MET   1   4.118  -8.260   4.325
   11    HE3  MET   1           1HE      MET   1   5.721  -7.652   3.914
   12    H    GLN   2           H        GLN   2   1.772 -13.425   4.039
   13    HA   GLN   2           HA       GLN   2   0.144 -11.979   2.055
   14    HB2  GLN   2           2HB      GLN   2  -0.620 -13.797   4.347
   15    HB3  GLN   2           1HB      GLN   2  -1.768 -13.013   3.270
   16    HG2  GLN   2           2HG      GLN   2  -0.767 -14.207   1.368
   17    HG3  GLN   2           1HG      GLN   2   0.325 -15.028   2.482
   18   HE21  GLN   2          1HE2      GLN   2  -2.299 -15.607   0.698
   19   HE22  GLN   2          2HE2      GLN   2  -3.134 -16.720   1.722
   20    H    ILE   3           H        ILE   3  -1.123 -10.222   2.528
   21    HA   ILE   3           HA       ILE   3  -1.086  -9.114   5.248
   22    HB   ILE   3           HB       ILE   3  -0.755  -6.848   4.402
   23   HG12  ILE   3          2HG1      ILE   3   0.150  -8.001   1.751
   24   HG13  ILE   3          1HG1      ILE   3  -1.500  -7.435   1.983
   25   HG21  ILE   3          1HG2      ILE   3   1.410  -8.851   3.807
   26   HG22  ILE   3          2HG2      ILE   3   1.141  -7.941   5.294
   27   HG23  ILE   3          3HG2      ILE   3   1.680  -7.108   3.836
   28   HD11  ILE   3          3HD1      ILE   3  -0.824  -5.226   2.285
   29   HD12  ILE   3          1HD1      ILE   3   0.166  -5.821   0.952
   30   HD13  ILE   3          2HD1      ILE   3   0.854  -5.687   2.572
   31    H    PHE   4           H        PHE   4  -2.945  -7.398   5.515
   32    HA   PHE   4           HA       PHE   4  -5.214  -8.028   3.731
   33    HB2  PHE   4           2HB      PHE   4  -5.218  -7.604   6.729
   34    HB3  PHE   4           1HB      PHE   4  -6.649  -7.804   5.741
   35    HD1  PHE   4           1HD      PHE   4  -7.163  -9.976   4.703
   36    HD2  PHE   4           2HD      PHE   4  -3.862  -9.495   7.350
   37    HE1  PHE   4           1HE      PHE   4  -7.026 -12.417   4.973
   38    HE2  PHE   4           2HE      PHE   4  -3.722 -11.935   7.623
   39    HZ   PHE   4           HZ       PHE   4  -5.304 -13.400   6.434
   40    H    VAL   5           H        VAL   5  -6.475  -6.307   3.046
   41    HA   VAL   5           HA       VAL   5  -5.795  -3.608   4.093
   42    HB   VAL   5           HB       VAL   5  -6.668  -4.206   1.244
   43   HG11  VAL   5          1HG1      VAL   5  -6.078  -1.853   0.805
   44   HG12  VAL   5          2HG1      VAL   5  -5.676  -1.633   2.507
   45   HG13  VAL   5          3HG1      VAL   5  -7.340  -1.966   2.032
   46   HG21  VAL   5          3HG2      VAL   5  -4.425  -5.035   1.518
   47   HG22  VAL   5          1HG2      VAL   5  -3.931  -3.565   2.364
   48   HG23  VAL   5          2HG2      VAL   5  -4.339  -3.505   0.645
   49    H    LYS   6           H        LYS   6  -7.506  -2.580   5.037
   50    HA   LYS   6           HA       LYS   6 -10.221  -3.647   4.633
   51    HB2  LYS   6           2HB      LYS   6  -8.812  -3.091   6.982
   52    HB3  LYS   6           1HB      LYS   6  -9.868  -1.698   6.841
   53    HG2  LYS   6           2HG      LYS   6 -11.798  -2.977   7.043
   54    HG3  LYS   6           1HG      LYS   6 -10.980  -4.465   6.572
   55    HD2  LYS   6           2HD      LYS   6 -11.399  -4.635   8.897
   56    HD3  LYS   6           1HD      LYS   6  -9.679  -4.301   8.726
   57    HE2  LYS   6           2HE      LYS   6 -10.059  -1.958   9.253
   58    HE3  LYS   6           1HE      LYS   6 -11.798  -2.239   9.341
   59    HZ1  LYS   6           3HZ      LYS   6 -10.808  -2.185  11.538
   60    HZ2  LYS   6           1HZ      LYS   6  -9.754  -3.444  11.129
   61    HZ3  LYS   6           2HZ      LYS   6 -11.419  -3.729  11.211
   62    H    THR   7           H        THR   7 -11.864  -2.393   3.812
   63    HA   THR   7           HA       THR   7 -11.143   0.296   2.883
   64    HB   THR   7           HB       THR   7 -12.832   0.096   1.204
   65    HG1  THR   7           1HG      THR   7 -14.454  -1.288   1.275
   66   HG21  THR   7          3HG2      THR   7 -12.212  -1.773  -0.094
   67   HG22  THR   7          1HG2      THR   7 -11.650  -2.657   1.325
   68   HG23  THR   7          2HG2      THR   7 -10.775  -1.229   0.771
   69    H    LEU   8           H        LEU   8 -12.808   2.009   2.891
   70    HA   LEU   8           HA       LEU   8 -13.851   2.364   5.488
   71    HB2  LEU   8           2HB      LEU   8 -14.589   3.889   2.999
   72    HB3  LEU   8           1HB      LEU   8 -14.933   4.407   4.640
   73    HG   LEU   8           HG       LEU   8 -12.147   3.915   3.631
   74   HD11  LEU   8          1HD1      LEU   8 -13.146   5.687   2.298
   75   HD12  LEU   8          2HD1      LEU   8 -11.931   6.341   3.396
   76   HD13  LEU   8          3HD1      LEU   8 -13.645   6.525   3.767
   77   HD21  LEU   8          3HD2      LEU   8 -12.387   3.833   6.050
   78   HD22  LEU   8          1HD2      LEU   8 -13.200   5.398   6.036
   79   HD23  LEU   8          2HD2      LEU   8 -11.504   5.280   5.567
   80    H    THR   9           H        THR   9 -15.308   0.559   3.037
   81    HA   THR   9           HA       THR   9 -18.072   0.965   3.985
   82    HB   THR   9           HB       THR   9 -18.813  -0.260   2.003
   83    HG1  THR   9           1HG      THR   9 -17.467  -1.305   0.720
   84   HG21  THR   9          3HG2      THR   9 -16.873   1.963   1.513
   85   HG22  THR   9          1HG2      THR   9 -18.632   1.961   1.374
   86   HG23  THR   9          2HG2      THR   9 -17.652   1.130   0.166
   87    H    GLY  10           H        GLY  10 -15.516  -1.269   4.540
   88    HA2  GLY  10           2HA      GLY  10 -15.922  -2.808   6.371
   89    HA3  GLY  10           1HA      GLY  10 -17.478  -3.185   5.670
   90    H    LYS  11           H        LYS  11 -14.865  -2.939   3.417
   91    HA   LYS  11           HA       LYS  11 -14.973  -5.840   3.101
   92    HB2  LYS  11           2HB      LYS  11 -15.458  -4.219   1.188
   93    HB3  LYS  11           1HB      LYS  11 -13.723  -3.972   1.093
   94    HG2  LYS  11           2HG      LYS  11 -13.384  -6.319   0.613
   95    HG3  LYS  11           1HG      LYS  11 -15.110  -6.632   0.813
   96    HD2  LYS  11           2HD      LYS  11 -15.560  -5.058  -1.055
   97    HD3  LYS  11           1HD      LYS  11 -13.819  -4.897  -1.291
   98    HE2  LYS  11           2HE      LYS  11 -14.527  -6.494  -2.872
   99    HE3  LYS  11           1HE      LYS  11 -13.767  -7.418  -1.579
  100    HZ1  LYS  11           3HZ      LYS  11 -15.804  -8.471  -2.233
  101    HZ2  LYS  11           1HZ      LYS  11 -16.681  -7.043  -2.004
  102    HZ3  LYS  11           2HZ      LYS  11 -16.002  -7.841  -0.677
  103    H    THR  12           H        THR  12 -13.200  -7.214   3.196
  104    HA   THR  12           HA       THR  12 -10.562  -5.998   3.770
  105    HB   THR  12           HB       THR  12 -11.517  -8.738   4.660
  106    HG1  THR  12           1HG      THR  12 -12.692  -7.476   5.926
  107   HG21  THR  12          3HG2      THR  12  -9.081  -8.533   4.601
  108   HG22  THR  12          1HG2      THR  12  -9.671  -8.640   6.259
  109   HG23  THR  12          2HG2      THR  12  -9.174  -7.082   5.599
  110    H    ILE  13           H        ILE  13  -9.063  -6.347   2.234
  111    HA   ILE  13           HA       ILE  13  -9.466  -8.557   0.302
  112    HB   ILE  13           HB       ILE  13  -7.561  -6.251  -0.218
  113   HG12  ILE  13          2HG1      ILE  13 -10.431  -6.224  -1.181
  114   HG13  ILE  13          1HG1      ILE  13  -9.901  -5.337   0.242
  115   HG21  ILE  13          1HG2      ILE  13  -9.131  -7.955  -2.145
  116   HG22  ILE  13          2HG2      ILE  13  -7.512  -8.358  -1.570
  117   HG23  ILE  13          3HG2      ILE  13  -7.775  -6.885  -2.505
  118   HD11  ILE  13          3HD1      ILE  13 -10.044  -3.971  -1.818
  119   HD12  ILE  13          1HD1      ILE  13  -8.746  -4.948  -2.504
  120   HD13  ILE  13          2HD1      ILE  13  -8.449  -3.971  -1.067
  121    H    THR  14           H        THR  14  -7.815 -10.074   0.006
  122    HA   THR  14           HA       THR  14  -5.528  -9.898   1.855
  123    HB   THR  14           HB       THR  14  -6.451 -12.371   0.374
  124    HG1  THR  14           1HG      THR  14  -8.190 -12.096   1.564
  125   HG21  THR  14          3HG2      THR  14  -5.041 -12.159   3.017
  126   HG22  THR  14          1HG2      THR  14  -4.203 -12.356   1.478
  127   HG23  THR  14          2HG2      THR  14  -5.315 -13.603   2.043
  128    H    LEU  15           H        LEU  15  -3.504  -9.665   1.050
  129    HA   LEU  15           HA       LEU  15  -3.138 -10.037  -1.864
  130    HB2  LEU  15           2HB      LEU  15  -1.909  -7.857  -0.171
  131    HB3  LEU  15           1HB      LEU  15  -1.631  -8.104  -1.884
  132    HG   LEU  15           HG       LEU  15  -4.338  -7.446  -0.718
  133   HD11  LEU  15          1HD1      LEU  15  -2.329  -5.595  -1.993
  134   HD12  LEU  15          2HD1      LEU  15  -2.774  -5.621  -0.286
  135   HD13  LEU  15          3HD1      LEU  15  -3.970  -5.171  -1.502
  136   HD21  LEU  15          3HD2      LEU  15  -3.277  -7.411  -3.543
  137   HD22  LEU  15          1HD2      LEU  15  -4.873  -6.849  -3.046
  138   HD23  LEU  15          2HD2      LEU  15  -4.445  -8.551  -2.876
  139    H    GLU  16           H        GLU  16  -1.182 -10.873  -2.561
  140    HA   GLU  16           HA       GLU  16   0.579 -12.031  -0.493
  141    HB2  GLU  16           2HB      GLU  16  -0.400 -13.517  -2.326
  142    HB3  GLU  16           1HB      GLU  16   0.603 -12.633  -3.468
  143    HG2  GLU  16           2HG      GLU  16   1.785 -14.591  -2.964
  144    HG3  GLU  16           1HG      GLU  16   2.584 -13.309  -2.055
  145    H    VAL  17           H        VAL  17   2.454 -10.917  -0.098
  146    HA   VAL  17           HA       VAL  17   3.640  -9.255  -2.233
  147    HB   VAL  17           HB       VAL  17   4.015  -7.430  -0.581
  148   HG11  VAL  17          1HG1      VAL  17   1.108  -8.111  -0.991
  149   HG12  VAL  17          2HG1      VAL  17   2.163  -7.392  -2.208
  150   HG13  VAL  17          3HG1      VAL  17   1.792  -6.507  -0.729
  151   HG21  VAL  17          3HG2      VAL  17   3.747  -8.815   1.486
  152   HG22  VAL  17          1HG2      VAL  17   2.014  -8.883   1.166
  153   HG23  VAL  17          2HG2      VAL  17   2.788  -7.335   1.500
  154    H    GLU  18           H        GLU  18   5.853  -8.446  -1.613
  155    HA   GLU  18           HA       GLU  18   7.319 -10.313   0.164
  156    HB2  GLU  18           2HB      GLU  18   8.265  -8.962  -2.394
  157    HB3  GLU  18           1HB      GLU  18   9.305  -9.848  -1.297
  158    HG2  GLU  18           2HG      GLU  18   8.821 -11.363  -3.014
  159    HG3  GLU  18           1HG      GLU  18   7.712 -11.820  -1.684
  160    HA   PRO  19           HA       PRO  19   8.193  -6.701   2.607
  161    HB2  PRO  19           2HB      PRO  19  11.017  -7.550   2.966
  162    HB3  PRO  19           1HB      PRO  19   9.762  -7.200   4.164
  163    HG2  PRO  19           2HG      PRO  19  10.499  -9.726   3.610
  164    HG3  PRO  19           1HG      PRO  19   8.823  -9.304   3.996
  165    HD2  PRO  19           2HD      PRO  19  10.049  -9.876   1.308
  166    HD3  PRO  19           1HD      PRO  19   8.455 -10.341   1.955
  167    H    SER  20           H        SER  20  10.412  -7.397  -0.051
  168    HA   SER  20           HA       SER  20  11.549  -4.728  -0.095
  169    HB2  SER  20           2HB      SER  20  12.702  -6.922  -0.803
  170    HB3  SER  20           1HB      SER  20  11.828  -6.729  -2.324
  171    HG   SER  20           HG       SER  20  13.549  -5.562  -2.759
  172    H    ASP  21           H        ASP  21   8.477  -5.750  -1.022
  173    HA   ASP  21           HA       ASP  21   8.251  -4.524  -3.602
  174    HB2  ASP  21           2HB      ASP  21   6.258  -5.524  -1.574
  175    HB3  ASP  21           1HB      ASP  21   5.718  -4.615  -2.976
  176    H    THR  22           H        THR  22   7.487  -2.471  -4.093
  177    HA   THR  22           HA       THR  22   7.701  -0.428  -2.035
  178    HB   THR  22           HB       THR  22   7.505   1.167  -3.863
  179    HG1  THR  22           1HG      THR  22   7.062   0.556  -5.904
  180   HG21  THR  22          3HG2      THR  22   9.353  -0.922  -4.926
  181   HG22  THR  22          1HG2      THR  22   9.706  -0.069  -3.423
  182   HG23  THR  22          2HG2      THR  22   9.526   0.833  -4.927
  183    H    ILE  23           H        ILE  23   6.055   1.228  -1.715
  184    HA   ILE  23           HA       ILE  23   3.412   0.251  -1.313
  185    HB   ILE  23           HB       ILE  23   4.471   3.076  -1.400
  186   HG12  ILE  23          2HG1      ILE  23   5.496   1.713   0.318
  187   HG13  ILE  23          1HG1      ILE  23   4.469   2.929   1.055
  188   HG21  ILE  23          1HG2      ILE  23   1.809   2.191  -0.299
  189   HG22  ILE  23          2HG2      ILE  23   2.051   3.145  -1.762
  190   HG23  ILE  23          3HG2      ILE  23   2.491   3.815  -0.191
  191   HD11  ILE  23          3HD1      ILE  23   4.135   0.949   2.281
  192   HD12  ILE  23          1HD1      ILE  23   3.950  -0.021   0.820
  193   HD13  ILE  23          2HD1      ILE  23   2.701   1.139   1.273
  194    H    GLU  24           H        GLU  24   4.768   2.197  -4.018
  195    HA   GLU  24           HA       GLU  24   2.375   2.623  -5.498
  196    HB2  GLU  24           2HB      GLU  24   4.660   3.635  -5.995
  197    HB3  GLU  24           1HB      GLU  24   5.112   2.085  -6.689
  198    HG2  GLU  24           2HG      GLU  24   3.442   2.317  -8.407
  199    HG3  GLU  24           1HG      GLU  24   2.814   3.780  -7.650
  200    H    ASN  25           H        ASN  25   4.532  -0.218  -5.335
  201    HA   ASN  25           HA       ASN  25   3.187  -1.700  -7.420
  202    HB2  ASN  25           2HB      ASN  25   5.568  -2.127  -6.459
  203    HB3  ASN  25           1HB      ASN  25   4.737  -2.987  -5.166
  204   HD21  ASN  25          1HD2      ASN  25   4.099  -5.075  -5.514
  205   HD22  ASN  25          2HD2      ASN  25   4.228  -5.876  -7.039
  206    H    VAL  26           H        VAL  26   2.775  -1.561  -3.891
  207    HA   VAL  26           HA       VAL  26   0.760  -3.608  -3.726
  208    HB   VAL  26           HB       VAL  26   1.281  -1.234  -1.887
  209   HG11  VAL  26          1HG1      VAL  26   0.024  -2.483  -0.172
  210   HG12  VAL  26          2HG1      VAL  26  -0.405  -3.696  -1.378
  211   HG13  VAL  26          3HG1      VAL  26  -0.999  -2.043  -1.541
  212   HG21  VAL  26          3HG2      VAL  26   2.038  -4.111  -1.459
  213   HG22  VAL  26          1HG2      VAL  26   2.537  -2.701  -0.527
  214   HG23  VAL  26          2HG2      VAL  26   3.121  -2.917  -2.175
  215    H    LYS  27           H        LYS  27   0.523  -0.072  -4.304
  216    HA   LYS  27           HA       LYS  27  -2.309   0.050  -4.387
  217    HB2  LYS  27           2HB      LYS  27  -0.288   1.723  -5.917
  218    HB3  LYS  27           1HB      LYS  27  -1.998   2.092  -5.797
  219    HG2  LYS  27           2HG      LYS  27  -1.316   2.037  -3.144
  220    HG3  LYS  27           1HG      LYS  27   0.200   2.617  -3.893
  221    HD2  LYS  27           2HD      LYS  27  -1.292   4.270  -5.132
  222    HD3  LYS  27           1HD      LYS  27  -2.519   3.847  -3.936
  223    HE2  LYS  27           2HE      LYS  27   0.260   4.789  -3.226
  224    HE3  LYS  27           1HE      LYS  27  -1.127   5.870  -3.384
  225    HZ1  LYS  27           3HZ      LYS  27  -2.218   4.785  -1.591
  226    HZ2  LYS  27           1HZ      LYS  27  -0.644   5.131  -1.075
  227    HZ3  LYS  27           2HZ      LYS  27  -1.059   3.556  -1.529
  228    H    ALA  28           H        ALA  28   0.090  -0.709  -6.930
  229    HA   ALA  28           HA       ALA  28  -1.708  -0.773  -9.115
  230    HB1  ALA  28           1HB      ALA  28   0.854  -2.338  -8.797
  231    HB2  ALA  28           2HB      ALA  28   0.701  -0.712  -9.466
  232    HB3  ALA  28           3HB      ALA  28  -0.017  -2.083 -10.310
  233    H    LYS  29           H        LYS  29  -0.789  -3.286  -6.774
  234    HA   LYS  29           HA       LYS  29  -2.246  -5.486  -7.966
  235    HB2  LYS  29           2HB      LYS  29  -1.298  -4.990  -5.134
  236    HB3  LYS  29           1HB      LYS  29  -2.097  -6.471  -5.644
  237    HG2  LYS  29           2HG      LYS  29  -0.308  -7.061  -7.072
  238    HG3  LYS  29           1HG      LYS  29   0.426  -5.462  -6.929
  239    HD2  LYS  29           2HD      LYS  29   1.068  -5.856  -4.681
  240    HD3  LYS  29           1HD      LYS  29   0.057  -7.297  -4.568
  241    HE2  LYS  29           2HE      LYS  29   2.352  -7.106  -6.504
  242    HE3  LYS  29           1HE      LYS  29   2.574  -7.636  -4.838
  243    HZ1  LYS  29           3HZ      LYS  29   0.854  -8.914  -6.891
  244    HZ2  LYS  29           1HZ      LYS  29   0.896  -9.377  -5.264
  245    HZ3  LYS  29           2HZ      LYS  29   2.278  -9.540  -6.227
  246    H    ILE  30           H        ILE  30  -3.148  -2.966  -5.610
  247    HA   ILE  30           HA       ILE  30  -5.790  -4.030  -5.113
  248    HB   ILE  30           HB       ILE  30  -4.622  -1.270  -4.637
  249   HG12  ILE  30          2HG1      ILE  30  -5.382  -3.534  -2.774
  250   HG13  ILE  30          1HG1      ILE  30  -3.749  -3.162  -3.305
  251   HG21  ILE  30          1HG2      ILE  30  -7.401  -2.286  -3.997
  252   HG22  ILE  30          2HG2      ILE  30  -6.963  -0.836  -4.899
  253   HG23  ILE  30          3HG2      ILE  30  -6.670  -0.915  -3.162
  254   HD11  ILE  30          3HD1      ILE  30  -3.703  -2.153  -1.286
  255   HD12  ILE  30          1HD1      ILE  30  -5.441  -1.852  -1.272
  256   HD13  ILE  30          2HD1      ILE  30  -4.371  -0.810  -2.214
  257    H    GLN  31           H        GLN  31  -4.506  -1.668  -7.495
  258    HA   GLN  31           HA       GLN  31  -6.970  -0.880  -8.707
  259    HB2  GLN  31           2HB      GLN  31  -4.777   0.229  -9.159
  260    HB3  GLN  31           1HB      GLN  31  -4.220  -1.229  -9.965
  261    HG2  GLN  31           2HG      GLN  31  -6.200  -0.820 -11.577
  262    HG3  GLN  31           1HG      GLN  31  -6.247   0.794 -10.874
  263   HE21  GLN  31          1HE2      GLN  31  -5.507  -0.310 -13.632
  264   HE22  GLN  31          2HE2      GLN  31  -3.976   0.420 -13.959
  265    H    ASP  32           H        ASP  32  -4.795  -3.619  -9.369
  266    HA   ASP  32           HA       ASP  32  -6.206  -4.699 -11.597
  267    HB2  ASP  32           2HB      ASP  32  -4.551  -6.241  -9.588
  268    HB3  ASP  32           1HB      ASP  32  -4.961  -6.767 -11.223
  269    H    LYS  33           H        LYS  33  -6.547  -5.384  -8.114
  270    HA   LYS  33           HA       LYS  33  -8.557  -7.426  -8.535
  271    HB2  LYS  33           2HB      LYS  33  -7.831  -6.007  -5.969
  272    HB3  LYS  33           1HB      LYS  33  -8.683  -7.529  -6.098
  273    HG2  LYS  33           2HG      LYS  33  -6.212  -7.907  -7.434
  274    HG3  LYS  33           1HG      LYS  33  -5.846  -7.019  -5.958
  275    HD2  LYS  33           2HD      LYS  33  -6.972  -8.734  -4.634
  276    HD3  LYS  33           1HD      LYS  33  -7.398  -9.606  -6.109
  277    HE2  LYS  33           2HE      LYS  33  -5.090 -10.046  -6.585
  278    HE3  LYS  33           1HE      LYS  33  -4.569  -9.005  -5.263
  279    HZ1  LYS  33           3HZ      LYS  33  -5.458 -10.529  -3.683
  280    HZ2  LYS  33           1HZ      LYS  33  -4.494 -11.416  -4.753
  281    HZ3  LYS  33           2HZ      LYS  33  -6.179 -11.469  -4.889
  282    H    GLU  34           H        GLU  34  -8.719  -4.034  -7.416
  283    HA   GLU  34           HA       GLU  34 -11.671  -4.258  -7.406
  284    HB2  GLU  34           2HB      GLU  34  -9.794  -2.573  -5.780
  285    HB3  GLU  34           1HB      GLU  34 -11.544  -2.353  -5.776
  286    HG2  GLU  34           2HG      GLU  34 -10.306  -5.018  -5.257
  287    HG3  GLU  34           1HG      GLU  34 -10.457  -3.823  -3.938
  288    H    GLY  35           H        GLY  35  -9.303  -2.729  -9.321
  289    HA2  GLY  35           2HA      GLY  35  -9.606  -1.320 -11.084
  290    HA3  GLY  35           1HA      GLY  35 -11.304  -1.232 -10.687
  291    H    ILE  36           H        ILE  36  -9.277  -0.272  -8.081
  292    HA   ILE  36           HA       ILE  36 -10.088   2.512  -8.365
  293    HB   ILE  36           HB       ILE  36  -8.354   1.303  -6.185
  294   HG12  ILE  36          2HG1      ILE  36 -11.305   1.761  -5.764
  295   HG13  ILE  36          1HG1      ILE  36 -10.779   0.278  -6.543
  296   HG21  ILE  36          1HG2      ILE  36  -8.973   3.197  -4.847
  297   HG22  ILE  36          2HG2      ILE  36 -10.139   3.738  -6.055
  298   HG23  ILE  36          3HG2      ILE  36  -8.412   3.804  -6.405
  299   HD11  ILE  36          3HD1      ILE  36  -9.891   1.224  -3.833
  300   HD12  ILE  36          1HD1      ILE  36  -9.417  -0.282  -4.620
  301   HD13  ILE  36          2HD1      ILE  36 -11.099  -0.020  -4.155
  302    HA   PRO  37           HA       PRO  37  -6.081   3.354 -10.401
  303    HB2  PRO  37           2HB      PRO  37  -6.744   6.242 -10.086
  304    HB3  PRO  37           1HB      PRO  37  -6.431   5.319 -11.562
  305    HG2  PRO  37           2HG      PRO  37  -8.890   6.165 -10.933
  306    HG3  PRO  37           1HG      PRO  37  -8.621   4.606 -11.734
  307    HD2  PRO  37           2HD      PRO  37  -9.168   5.168  -8.832
  308    HD3  PRO  37           1HD      PRO  37  -9.854   3.916  -9.889
  309    HA   PRO  38           HA       PRO  38  -3.506   3.980  -6.826
  310    HB2  PRO  38           2HB      PRO  38  -1.426   5.152  -8.658
  311    HB3  PRO  38           1HB      PRO  38  -1.289   3.789  -7.539
  312    HG2  PRO  38           2HG      PRO  38  -1.441   3.383 -10.156
  313    HG3  PRO  38           1HG      PRO  38  -2.272   2.307  -9.020
  314    HD2  PRO  38           2HD      PRO  38  -3.397   4.514 -10.709
  315    HD3  PRO  38           1HD      PRO  38  -4.059   2.903 -10.371
  316    H    ASP  39           H        ASP  39  -3.805   6.761  -9.035
  317    HA   ASP  39           HA       ASP  39  -2.772   8.625  -7.178
  318    HB2  ASP  39           2HB      ASP  39  -4.436   9.005  -9.664
  319    HB3  ASP  39           1HB      ASP  39  -3.933  10.360  -8.620
  320    H    GLN  40           H        GLN  40  -5.882   7.074  -7.214
  321    HA   GLN  40           HA       GLN  40  -7.109   9.175  -5.569
  322    HB2  GLN  40           2HB      GLN  40  -8.280   6.733  -6.911
  323    HB3  GLN  40           1HB      GLN  40  -9.190   7.812  -5.864
  324    HG2  GLN  40           2HG      GLN  40  -8.485   9.671  -7.458
  325    HG3  GLN  40           1HG      GLN  40  -7.989   8.375  -8.547
  326   HE21  GLN  40          1HE2      GLN  40  -9.491   8.347 -10.147
  327   HE22  GLN  40          2HE2      GLN  40 -11.197   8.279  -9.883
  328    H    GLN  41           H        GLN  41  -5.235   6.442  -5.036
  329    HA   GLN  41           HA       GLN  41  -6.709   5.467  -2.676
  330    HB2  GLN  41           2HB      GLN  41  -4.502   4.359  -4.377
  331    HB3  GLN  41           1HB      GLN  41  -4.885   3.655  -2.811
  332    HG2  GLN  41           2HG      GLN  41  -7.246   3.401  -3.638
  333    HG3  GLN  41           1HG      GLN  41  -6.645   3.842  -5.236
  334   HE21  GLN  41          1HE2      GLN  41  -6.123   2.159  -6.518
  335   HE22  GLN  41          2HE2      GLN  41  -5.632   0.601  -5.957
  336    H    ARG  42           H        ARG  42  -6.018   5.724  -0.603
  337    HA   ARG  42           HA       ARG  42  -3.282   6.679  -0.133
  338    HB2  ARG  42           2HB      ARG  42  -5.792   7.474   1.375
  339    HB3  ARG  42           1HB      ARG  42  -4.163   7.852   1.916
  340    HG2  ARG  42           2HG      ARG  42  -3.821   9.163  -0.145
  341    HG3  ARG  42           1HG      ARG  42  -5.494   8.834  -0.598
  342    HD2  ARG  42           2HD      ARG  42  -6.332  10.056   1.251
  343    HD3  ARG  42           1HD      ARG  42  -4.744  10.138   2.008
  344    HE   ARG  42           HE       ARG  42  -4.921  11.435  -0.575
  345   HH11  ARG  42          1HH1      ARG  42  -5.254  11.973   2.922
  346   HH12  ARG  42          2HH1      ARG  42  -4.971  13.672   2.779
  347   HH21  ARG  42          1HH2      ARG  42  -4.559  13.660  -0.684
  348   HH22  ARG  42          2HH2      ARG  42  -4.584  14.621   0.757
  349    H    LEU  43           H        LEU  43  -2.122   5.325   1.210
  350    HA   LEU  43           HA       LEU  43  -3.619   3.186   2.605
  351    HB2  LEU  43           2HB      LEU  43  -0.795   3.257   1.514
  352    HB3  LEU  43           1HB      LEU  43  -1.466   1.964   2.498
  353    HG   LEU  43           HG       LEU  43  -2.588   2.769  -0.191
  354   HD11  LEU  43          1HD1      LEU  43  -0.752   0.469   0.462
  355   HD12  LEU  43          2HD1      LEU  43  -0.285   1.934  -0.402
  356   HD13  LEU  43          3HD1      LEU  43  -1.465   0.832  -1.110
  357   HD21  LEU  43          3HD2      LEU  43  -3.676   0.553  -0.062
  358   HD22  LEU  43          1HD2      LEU  43  -4.205   1.648   1.215
  359   HD23  LEU  43          2HD2      LEU  43  -3.049   0.366   1.575
  360    H    ILE  44           H        ILE  44  -3.535   3.014   4.750
  361    HA   ILE  44           HA       ILE  44  -1.623   4.676   6.284
  362    HB   ILE  44           HB       ILE  44  -4.362   3.946   7.322
  363   HG12  ILE  44          2HG1      ILE  44  -4.616   5.179   5.086
  364   HG13  ILE  44          1HG1      ILE  44  -5.482   5.773   6.481
  365   HG21  ILE  44          1HG2      ILE  44  -2.872   4.725   8.976
  366   HG22  ILE  44          2HG2      ILE  44  -4.046   6.003   8.666
  367   HG23  ILE  44          3HG2      ILE  44  -2.415   6.125   8.005
  368   HD11  ILE  44          3HD1      ILE  44  -4.721   7.635   5.266
  369   HD12  ILE  44          1HD1      ILE  44  -3.090   6.976   5.128
  370   HD13  ILE  44          2HD1      ILE  44  -3.688   7.527   6.693
  371    H    PHE  45           H        PHE  45  -0.478   3.666   7.857
  372    HA   PHE  45           HA       PHE  45  -1.402   1.070   8.884
  373    HB2  PHE  45           2HB      PHE  45   0.327   0.634   7.145
  374    HB3  PHE  45           1HB      PHE  45   1.458   1.646   8.029
  375    HD1  PHE  45           1HD      PHE  45  -0.763  -1.301   8.604
  376    HD2  PHE  45           2HD      PHE  45   2.977   0.560   9.430
  377    HE1  PHE  45           1HE      PHE  45  -0.079  -3.262   9.922
  378    HE2  PHE  45           2HE      PHE  45   3.667  -1.401  10.743
  379    HZ   PHE  45           HZ       PHE  45   2.138  -3.313  10.995
  380    H    ALA  46           H        ALA  46  -1.462   1.147  11.125
  381    HA   ALA  46           HA       ALA  46  -1.282   2.008  13.241
  382    HB1  ALA  46           1HB      ALA  46   0.915   1.988  14.131
  383    HB2  ALA  46           2HB      ALA  46   1.632   2.334  12.557
  384    HB3  ALA  46           3HB      ALA  46   0.874   0.770  12.855
  385    H    GLY  47           H        GLY  47  -2.316   3.942  11.629
  386    HA2  GLY  47           2HA      GLY  47  -2.873   6.152  11.756
  387    HA3  GLY  47           1HA      GLY  47  -1.703   6.330  13.042
  388    H    LYS  48           H        LYS  48  -0.019   5.134  10.356
  389    HA   LYS  48           HA       LYS  48   0.802   7.866   9.568
  390    HB2  LYS  48           2HB      LYS  48   2.457   5.378   9.188
  391    HB3  LYS  48           1HB      LYS  48   3.000   7.039   9.107
  392    HG2  LYS  48           2HG      LYS  48   2.724   7.296  11.502
  393    HG3  LYS  48           1HG      LYS  48   2.068   5.662  11.622
  394    HD2  LYS  48           2HD      LYS  48   4.234   4.812  10.706
  395    HD3  LYS  48           1HD      LYS  48   4.866   6.456  10.826
  396    HE2  LYS  48           2HE      LYS  48   4.451   6.445  13.232
  397    HE3  LYS  48           1HE      LYS  48   3.791   4.814  13.118
  398    HZ1  LYS  48           3HZ      LYS  48   6.588   5.627  12.535
  399    HZ2  LYS  48           1HZ      LYS  48   5.972   4.066  12.315
  400    HZ3  LYS  48           2HZ      LYS  48   6.059   4.730  13.868
  401    H    GLN  49           H        GLN  49   0.833   8.520   7.445
  402    HA   GLN  49           HA       GLN  49  -0.494   6.836   5.472
  403    HB2  GLN  49           2HB      GLN  49   0.683   9.630   5.368
  404    HB3  GLN  49           1HB      GLN  49   0.040   8.833   3.937
  405    HG2  GLN  49           2HG      GLN  49  -2.140   8.818   4.782
  406    HG3  GLN  49           1HG      GLN  49  -1.601   9.175   6.421
  407   HE21  GLN  49          1HE2      GLN  49  -1.441  11.297   7.063
  408   HE22  GLN  49          2HE2      GLN  49  -1.730  12.636   6.011
  409    H    LEU  50           H        LEU  50   0.581   5.537   3.982
  410    HA   LEU  50           HA       LEU  50   3.480   5.360   4.115
  411    HB2  LEU  50           2HB      LEU  50   1.640   3.716   2.384
  412    HB3  LEU  50           1HB      LEU  50   3.288   3.354   2.838
  413    HG   LEU  50           HG       LEU  50   0.950   3.453   4.745
  414   HD11  LEU  50          1HD1      LEU  50   1.077   1.029   4.789
  415   HD12  LEU  50          2HD1      LEU  50   2.385   1.059   3.606
  416   HD13  LEU  50          3HD1      LEU  50   0.771   1.604   3.150
  417   HD21  LEU  50          3HD2      LEU  50   3.686   2.294   5.254
  418   HD22  LEU  50          1HD2      LEU  50   2.398   2.600   6.418
  419   HD23  LEU  50          2HD2      LEU  50   3.255   3.951   5.679
  420    H    GLU  51           H        GLU  51   4.950   5.972   2.553
  421    HA   GLU  51           HA       GLU  51   3.949   7.570   0.311
  422    HB2  GLU  51           2HB      GLU  51   6.723   7.164   1.450
  423    HB3  GLU  51           1HB      GLU  51   6.407   8.121   0.008
  424    HG2  GLU  51           2HG      GLU  51   5.304   9.779   1.165
  425    HG3  GLU  51           1HG      GLU  51   4.984   8.754   2.565
  426    H    ASP  52           H        ASP  52   4.304   7.224  -1.860
  427    HA   ASP  52           HA       ASP  52   4.343   4.561  -2.740
  428    HB2  ASP  52           2HB      ASP  52   4.665   7.124  -4.302
  429    HB3  ASP  52           1HB      ASP  52   4.491   5.533  -5.037
  430    H    GLY  53           H        GLY  53   7.068   6.754  -2.343
  431    HA2  GLY  53           2HA      GLY  53   8.835   5.108  -3.978
  432    HA3  GLY  53           1HA      GLY  53   9.277   6.543  -3.079
  433    H    ARG  54           H        ARG  54   7.687   4.597  -0.852
  434    HA   ARG  54           HA       ARG  54  10.249   3.445   0.105
  435    HB2  ARG  54           2HB      ARG  54   7.687   4.025   1.619
  436    HB3  ARG  54           1HB      ARG  54   9.127   3.310   2.316
  437    HG2  ARG  54           2HG      ARG  54   8.794   6.132   1.303
  438    HG3  ARG  54           1HG      ARG  54   9.015   5.595   2.954
  439    HD2  ARG  54           2HD      ARG  54  11.275   4.840   2.449
  440    HD3  ARG  54           1HD      ARG  54  11.073   5.316   0.763
  441    HE   ARG  54           HE       ARG  54  11.687   7.018   2.983
  442   HH11  ARG  54          1HH1      ARG  54  10.198   7.057  -0.239
  443   HH12  ARG  54          2HH1      ARG  54  10.470   8.751  -0.446
  444   HH21  ARG  54          1HH2      ARG  54  12.008   9.229   2.648
  445   HH22  ARG  54          2HH2      ARG  54  11.486   9.973   1.173
  446    H    THR  55           H        THR  55  10.075   1.351   1.324
  447    HA   THR  55           HA       THR  55   8.291  -0.542  -0.108
  448    HB   THR  55           HB       THR  55   9.836  -2.303   0.485
  449    HG1  THR  55           1HG      THR  55  10.874  -1.894   2.293
  450   HG21  THR  55          3HG2      THR  55  11.595  -1.874  -0.939
  451   HG22  THR  55          1HG2      THR  55  11.668  -0.167  -0.502
  452   HG23  THR  55          2HG2      THR  55  10.347  -0.763  -1.507
  453    H    LEU  56           H        LEU  56   7.605  -2.473   1.109
  454    HA   LEU  56           HA       LEU  56   6.113  -1.873   3.431
  455    HB2  LEU  56           2HB      LEU  56   7.018  -4.567   2.419
  456    HB3  LEU  56           1HB      LEU  56   5.788  -4.313   3.646
  457    HG   LEU  56           HG       LEU  56   5.582  -3.411   0.769
  458   HD11  LEU  56          1HD1      LEU  56   3.887  -5.218   0.612
  459   HD12  LEU  56          2HD1      LEU  56   4.396  -5.776   2.205
  460   HD13  LEU  56          3HD1      LEU  56   5.533  -5.801   0.857
  461   HD21  LEU  56          3HD2      LEU  56   3.134  -3.165   1.428
  462   HD22  LEU  56          1HD2      LEU  56   4.240  -1.962   2.091
  463   HD23  LEU  56          2HD2      LEU  56   3.672  -3.290   3.102
  464    H    SER  57           H        SER  57   9.365  -3.302   3.206
  465    HA   SER  57           HA       SER  57   9.560  -4.047   5.953
  466    HB2  SER  57           2HB      SER  57  11.948  -4.311   5.602
  467    HB3  SER  57           1HB      SER  57  11.034  -5.059   4.264
  468    HG   SER  57           HG       SER  57  12.584  -2.708   4.291
  469    H    ASP  58           H        ASP  58  10.214  -1.014   4.240
  470    HA   ASP  58           HA       ASP  58  11.757   0.279   6.231
  471    HB2  ASP  58           2HB      ASP  58   9.861   1.491   4.202
  472    HB3  ASP  58           1HB      ASP  58  10.990   2.415   5.180
  473    H    TYR  59           H        TYR  59   8.282  -0.251   6.043
  474    HA   TYR  59           HA       TYR  59   7.804   1.456   8.398
  475    HB2  TYR  59           2HB      TYR  59   5.941   0.134   6.405
  476    HB3  TYR  59           1HB      TYR  59   5.360   0.904   7.879
  477    HD1  TYR  59           1HD      TYR  59   5.730   3.351   8.217
  478    HD2  TYR  59           2HD      TYR  59   6.548   1.449   4.498
  479    HE1  TYR  59           1HE      TYR  59   5.727   5.541   7.102
  480    HE2  TYR  59           2HE      TYR  59   6.545   3.636   3.373
  481    HH   TYR  59           HH       TYR  59   5.273   6.354   4.618
  482    H    ASN  60           H        ASN  60   8.940  -1.563   8.154
  483    HA   ASN  60           HA       ASN  60   8.921  -3.464   9.336
  484    HB2  ASN  60           2HB      ASN  60   7.907  -1.529  11.419
  485    HB3  ASN  60           1HB      ASN  60   8.258  -3.212  11.799
  486   HD21  ASN  60          1HD2      ASN  60   9.609  -0.083  11.060
  487   HD22  ASN  60          2HD2      ASN  60  11.256  -0.519  11.349
  488    H    ILE  61           H        ILE  61   6.738  -3.267   7.587
  489    HA   ILE  61           HA       ILE  61   4.379  -4.245   8.991
  490    HB   ILE  61           HB       ILE  61   4.899  -3.968   6.006
  491   HG12  ILE  61          2HG1      ILE  61   3.132  -2.275   7.782
  492   HG13  ILE  61          1HG1      ILE  61   4.790  -1.841   7.401
  493   HG21  ILE  61          1HG2      ILE  61   2.311  -4.571   7.458
  494   HG22  ILE  61          2HG2      ILE  61   3.207  -5.686   6.428
  495   HG23  ILE  61          3HG2      ILE  61   2.461  -4.247   5.730
  496   HD11  ILE  61          3HD1      ILE  61   3.403  -0.599   5.953
  497   HD12  ILE  61          1HD1      ILE  61   2.463  -2.025   5.513
  498   HD13  ILE  61          2HD1      ILE  61   4.136  -1.872   4.977
  499    H    GLN  62           H        GLN  62   4.054  -6.324   9.491
  500    HA   GLN  62           HA       GLN  62   5.794  -8.427   8.330
  501    HB2  GLN  62           2HB      GLN  62   4.448  -8.173  11.031
  502    HB3  GLN  62           1HB      GLN  62   5.340  -9.590  10.499
  503    HG2  GLN  62           2HG      GLN  62   6.508  -6.831  10.792
  504    HG3  GLN  62           1HG      GLN  62   6.631  -8.115  11.995
  505   HE21  GLN  62          1HE2      GLN  62   7.638 -10.209  11.169
  506   HE22  GLN  62          2HE2      GLN  62   8.977 -10.039  10.091
  507    H    LYS  63           H        LYS  63   4.795 -10.701   8.549
  508    HA   LYS  63           HA       LYS  63   2.618 -10.964   6.880
  509    HB2  LYS  63           2HB      LYS  63   2.376 -13.306   7.662
  510    HB3  LYS  63           1HB      LYS  63   4.031 -12.876   7.246
  511    HG2  LYS  63           2HG      LYS  63   4.512 -12.551   9.649
  512    HG3  LYS  63           1HG      LYS  63   2.885 -13.128  10.015
  513    HD2  LYS  63           2HD      LYS  63   3.365 -15.279   9.090
  514    HD3  LYS  63           1HD      LYS  63   4.907 -14.716   8.443
  515    HE2  LYS  63           2HE      LYS  63   5.726 -14.361  10.724
  516    HE3  LYS  63           1HE      LYS  63   4.185 -14.931  11.364
  517    HZ1  LYS  63           3HZ      LYS  63   5.970 -16.571   9.652
  518    HZ2  LYS  63           1HZ      LYS  63   4.591 -17.091  10.486
  519    HZ3  LYS  63           2HZ      LYS  63   5.974 -16.628  11.343
  520    H    GLU  64           H        GLU  64   0.402 -11.249   7.044
  521    HA   GLU  64           HA       GLU  64  -1.707 -11.057   7.828
  522    HB2  GLU  64           2HB      GLU  64  -0.581 -11.932  10.489
  523    HB3  GLU  64           1HB      GLU  64  -2.291 -11.795  10.101
  524    HG2  GLU  64           2HG      GLU  64  -1.751 -13.442   8.185
  525    HG3  GLU  64           1HG      GLU  64  -0.281 -13.781   9.103
  526    H    SER  65           H        SER  65   0.247  -8.662   8.191
  527    HA   SER  65           HA       SER  65  -1.028  -7.095  10.285
  528    HB2  SER  65           2HB      SER  65   0.902  -6.429   8.055
  529    HB3  SER  65           1HB      SER  65   0.224  -5.196   9.116
  530    HG   SER  65           HG       SER  65   1.767  -5.729  10.441
  531    H    THR  66           H        THR  66  -2.418  -5.274   9.932
  532    HA   THR  66           HA       THR  66  -4.086  -5.454   7.491
  533    HB   THR  66           HB       THR  66  -4.844  -4.349  10.199
  534    HG1  THR  66           1HG      THR  66  -5.202  -6.317  10.813
  535   HG21  THR  66          3HG2      THR  66  -7.162  -5.059   9.292
  536   HG22  THR  66          1HG2      THR  66  -6.387  -4.975   7.710
  537   HG23  THR  66          2HG2      THR  66  -6.455  -3.543   8.736
  538    H    LEU  67           H        LEU  67  -4.017  -3.754   6.131
  539    HA   LEU  67           HA       LEU  67  -3.058  -1.118   7.048
  540    HB2  LEU  67           2HB      LEU  67  -3.279  -2.080   4.184
  541    HB3  LEU  67           1HB      LEU  67  -2.511  -0.617   4.768
  542    HG   LEU  67           HG       LEU  67  -0.939  -2.379   6.042
  543   HD11  LEU  67          1HD1      LEU  67  -0.490  -4.317   4.607
  544   HD12  LEU  67          2HD1      LEU  67  -1.958  -3.945   3.703
  545   HD13  LEU  67          3HD1      LEU  67  -2.058  -4.374   5.410
  546   HD21  LEU  67          3HD2      LEU  67  -0.051  -0.745   4.554
  547   HD22  LEU  67          1HD2      LEU  67  -0.717  -1.582   3.151
  548   HD23  LEU  67          2HD2      LEU  67   0.590  -2.319   4.081
  549    H    HIS  68           H        HIS  68  -4.271   0.748   6.252
  550    HA   HIS  68           HA       HIS  68  -7.108   0.145   5.662
  551    HB2  HIS  68           2HB      HIS  68  -5.819   2.474   7.101
  552    HB3  HIS  68           1HB      HIS  68  -7.520   2.419   6.686
  553    HD1  HIS  68           1HD      HIS  68  -4.970   0.897   8.961
  554    HD2  HIS  68           2HD      HIS  68  -9.083   0.829   8.384
  555    HE1  HIS  68           1HE      HIS  68  -5.906  -0.264  10.976
  556    H    LEU  69           H        LEU  69  -8.035   0.977   3.837
  557    HA   LEU  69           HA       LEU  69  -6.365   2.721   2.119
  558    HB2  LEU  69           2HB      LEU  69  -7.044   0.490   1.217
  559    HB3  LEU  69           1HB      LEU  69  -8.721   0.959   1.402
  560    HG   LEU  69           HG       LEU  69  -8.295   2.794  -0.248
  561   HD11  LEU  69          1HD1      LEU  69  -6.297   2.548  -1.695
  562   HD12  LEU  69          2HD1      LEU  69  -5.657   1.381  -0.538
  563   HD13  LEU  69          3HD1      LEU  69  -5.921   3.054  -0.048
  564   HD21  LEU  69          3HD2      LEU  69  -9.282   0.567  -0.819
  565   HD22  LEU  69          1HD2      LEU  69  -7.672   0.063  -1.334
  566   HD23  LEU  69          2HD2      LEU  69  -8.485   1.392  -2.160
  567    H    VAL  70           H        VAL  70  -7.042   4.792   1.740
  568    HA   VAL  70           HA       VAL  70  -9.799   5.557   2.326
  569    HB   VAL  70           HB       VAL  70  -7.150   6.852   2.887
  570   HG11  VAL  70          1HG1      VAL  70  -8.219   9.012   3.498
  571   HG12  VAL  70          2HG1      VAL  70  -9.740   8.423   2.827
  572   HG13  VAL  70          3HG1      VAL  70  -8.351   8.677   1.770
  573   HG21  VAL  70          3HG2      VAL  70  -9.511   6.761   4.694
  574   HG22  VAL  70          1HG2      VAL  70  -7.818   7.081   5.087
  575   HG23  VAL  70          2HG2      VAL  70  -8.312   5.470   4.568
  576    H    LEU  71           H        LEU  71 -10.832   6.684   0.666
  577    HA   LEU  71           HA       LEU  71  -9.365   6.916  -1.873
  578    HB2  LEU  71           2HB      LEU  71 -12.340   6.901  -1.358
  579    HB3  LEU  71           1HB      LEU  71 -11.580   6.951  -2.936
  580    HG   LEU  71           HG       LEU  71 -11.197   4.658  -1.013
  581   HD11  LEU  71          1HD1      LEU  71 -12.863   3.435  -2.262
  582   HD12  LEU  71          2HD1      LEU  71 -13.150   4.829  -3.304
  583   HD13  LEU  71          3HD1      LEU  71 -13.580   4.901  -1.595
  584   HD21  LEU  71          3HD2      LEU  71 -10.451   3.463  -2.994
  585   HD22  LEU  71          1HD2      LEU  71  -9.487   4.921  -2.753
  586   HD23  LEU  71          2HD2      LEU  71 -10.746   4.891  -3.987
  587    H    ARG  72           H        ARG  72  -8.981   8.818  -2.852
  588    HA   ARG  72           HA       ARG  72  -9.934  11.283  -1.559
  589    HB2  ARG  72           2HB      ARG  72  -7.465  10.816  -2.013
  590    HB3  ARG  72           1HB      ARG  72  -7.834  11.044  -3.717
  591    HG2  ARG  72           2HG      ARG  72  -8.585  13.318  -3.257
  592    HG3  ARG  72           1HG      ARG  72  -8.241  13.088  -1.541
  593    HD2  ARG  72           2HD      ARG  72  -5.885  12.735  -2.051
  594    HD3  ARG  72           1HD      ARG  72  -6.219  12.925  -3.771
  595    HE   ARG  72           HE       ARG  72  -5.921  15.005  -1.822
  596   HH11  ARG  72          1HH1      ARG  72  -7.432  14.300  -4.957
  597   HH12  ARG  72          2HH1      ARG  72  -7.499  15.969  -5.405
  598   HH21  ARG  72          1HH2      ARG  72  -6.039  17.166  -2.471
  599   HH22  ARG  72          2HH2      ARG  72  -6.718  17.580  -4.010
  600    H    LEU  73           H        LEU  73 -11.824  12.034  -2.386
  601    HA   LEU  73           HA       LEU  73 -12.017  12.565  -5.240
  602    HB2  LEU  73           2HB      LEU  73 -12.928  10.187  -4.639
  603    HB3  LEU  73           1HB      LEU  73 -14.317  11.058  -4.022
  604    HG   LEU  73           HG       LEU  73 -13.309  11.368  -6.852
  605   HD11  LEU  73          1HD1      LEU  73 -13.931   9.060  -6.570
  606   HD12  LEU  73          2HD1      LEU  73 -15.187   9.889  -7.489
  607   HD13  LEU  73          3HD1      LEU  73 -15.438   9.523  -5.782
  608   HD21  LEU  73          3HD2      LEU  73 -14.651  13.220  -6.208
  609   HD22  LEU  73          1HD2      LEU  73 -15.839  12.174  -5.432
  610   HD23  LEU  73          2HD2      LEU  73 -15.671  12.169  -7.188
  611    H    ARG  74           H        ARG  74 -12.687  14.623  -5.399
  612    HA   ARG  74           HA       ARG  74 -14.987  15.572  -3.902
  613    HB2  ARG  74           2HB      ARG  74 -12.229  16.722  -3.483
  614    HB3  ARG  74           1HB      ARG  74 -13.694  17.623  -3.113
  615    HG2  ARG  74           2HG      ARG  74 -14.355  15.738  -1.598
  616    HG3  ARG  74           1HG      ARG  74 -12.744  15.064  -1.852
  617    HD2  ARG  74           2HD      ARG  74 -13.188  17.874  -0.867
  618    HD3  ARG  74           1HD      ARG  74 -13.078  16.493   0.224
  619    HE   ARG  74           HE       ARG  74 -10.927  17.761  -1.207
  620   HH11  ARG  74          1HH1      ARG  74 -11.862  14.748   0.422
  621   HH12  ARG  74          2HH1      ARG  74 -10.221  14.273   0.687
  622   HH21  ARG  74          1HH2      ARG  74  -8.806  17.080  -0.828
  623   HH22  ARG  74          2HH2      ARG  74  -8.504  15.581  -0.014
  624    H    GLY  75           H        GLY  75 -15.428  17.991  -4.483
  625    HA2  GLY  75           2HA      GLY  75 -15.646  19.681  -6.045
  626    HA3  GLY  75           1HA      GLY  75 -14.383  18.925  -7.005
  627    H    GLY  76           H        GLY  76 -15.892  19.646  -8.785
  628    HA2  GLY  76           2HA      GLY  76 -17.453  17.383  -9.680
  629    HA3  GLY  76           1HA      GLY  76 -18.431  18.791  -9.300
  Start of MODEL   15
    1    H1   MET   1           1HT      MET   1   4.487 -13.675   1.104
    2    H2   MET   1           2HT      MET   1   5.852 -13.469   2.122
    3    H3   MET   1           3HT      MET   1   5.079 -12.105   1.431
    4    HA   MET   1           HA       MET   1   3.914 -13.979   3.353
    5    HB2  MET   1           2HB      MET   1   4.046 -12.039   4.918
    6    HB3  MET   1           1HB      MET   1   5.619 -12.610   4.405
    7    HG2  MET   1           2HG      MET   1   5.813 -10.747   2.855
    8    HG3  MET   1           1HG      MET   1   4.199 -10.199   3.305
    9    HE1  MET   1           2HE      MET   1   5.196  -7.491   5.537
   10    HE2  MET   1           3HE      MET   1   4.073  -8.214   4.386
   11    HE3  MET   1           1HE      MET   1   5.658  -7.659   3.843
   12    H    GLN   2           H        GLN   2   1.790 -13.413   4.088
   13    HA   GLN   2           HA       GLN   2   0.160 -11.979   2.096
   14    HB2  GLN   2           2HB      GLN   2  -0.591 -13.803   4.387
   15    HB3  GLN   2           1HB      GLN   2  -1.747 -13.024   3.315
   16    HG2  GLN   2           2HG      GLN   2  -0.746 -14.209   1.409
   17    HG3  GLN   2           1HG      GLN   2   0.357 -15.023   2.518
   18   HE21  GLN   2          1HE2      GLN   2  -2.386 -15.497   0.793
   19   HE22  GLN   2          2HE2      GLN   2  -3.163 -16.668   1.798
   20    H    ILE   3           H        ILE   3  -1.141 -10.242   2.573
   21    HA   ILE   3           HA       ILE   3  -1.105  -9.120   5.285
   22    HB   ILE   3           HB       ILE   3  -0.786  -6.855   4.433
   23   HG12  ILE   3          2HG1      ILE   3   0.114  -8.016   1.782
   24   HG13  ILE   3          1HG1      ILE   3  -1.534  -7.443   2.017
   25   HG21  ILE   3          1HG2      ILE   3   1.389  -8.849   3.836
   26   HG22  ILE   3          2HG2      ILE   3   1.119  -7.937   5.323
   27   HG23  ILE   3          3HG2      ILE   3   1.650  -7.103   3.862
   28   HD11  ILE   3          3HD1      ILE   3  -0.851  -5.237   2.297
   29   HD12  ILE   3          1HD1      ILE   3   0.148  -5.842   0.975
   30   HD13  ILE   3          2HD1      ILE   3   0.824  -5.696   2.599
   31    H    PHE   4           H        PHE   4  -2.970  -7.410   5.547
   32    HA   PHE   4           HA       PHE   4  -5.237  -8.061   3.768
   33    HB2  PHE   4           2HB      PHE   4  -5.239  -7.603   6.760
   34    HB3  PHE   4           1HB      PHE   4  -6.671  -7.815   5.777
   35    HD1  PHE   4           1HD      PHE   4  -7.181  -9.996   4.757
   36    HD2  PHE   4           2HD      PHE   4  -3.888  -9.487   7.406
   37    HE1  PHE   4           1HE      PHE   4  -7.047 -12.434   5.053
   38    HE2  PHE   4           2HE      PHE   4  -3.749 -11.925   7.705
   39    HZ   PHE   4           HZ       PHE   4  -5.330 -13.401   6.528
   40    H    VAL   5           H        VAL   5  -6.500  -6.347   3.061
   41    HA   VAL   5           HA       VAL   5  -5.826  -3.631   4.063
   42    HB   VAL   5           HB       VAL   5  -6.759  -4.264   1.243
   43   HG11  VAL   5          1HG1      VAL   5  -6.123  -1.946   0.742
   44   HG12  VAL   5          2HG1      VAL   5  -5.637  -1.706   2.419
   45   HG13  VAL   5          3HG1      VAL   5  -7.331  -1.996   2.026
   46   HG21  VAL   5          3HG2      VAL   5  -4.555  -5.169   1.404
   47   HG22  VAL   5          1HG2      VAL   5  -3.961  -3.744   2.264
   48   HG23  VAL   5          2HG2      VAL   5  -4.423  -3.629   0.560
   49    H    LYS   6           H        LYS   6  -7.535  -2.608   5.017
   50    HA   LYS   6           HA       LYS   6 -10.255  -3.662   4.571
   51    HB2  LYS   6           2HB      LYS   6  -8.866  -2.474   6.917
   52    HB3  LYS   6           1HB      LYS   6 -10.558  -2.019   6.724
   53    HG2  LYS   6           2HG      LYS   6 -10.894  -4.618   6.449
   54    HG3  LYS   6           1HG      LYS   6  -9.344  -4.698   7.284
   55    HD2  LYS   6           2HD      LYS   6 -10.282  -3.382   9.125
   56    HD3  LYS   6           1HD      LYS   6 -11.829  -3.319   8.279
   57    HE2  LYS   6           2HE      LYS   6 -12.134  -5.669   8.493
   58    HE3  LYS   6           1HE      LYS   6 -10.478  -5.895   9.057
   59    HZ1  LYS   6           3HZ      LYS   6 -11.040  -4.635  11.054
   60    HZ2  LYS   6           1HZ      LYS   6 -12.027  -6.002  10.890
   61    HZ3  LYS   6           2HZ      LYS   6 -12.636  -4.469  10.518
   62    H    THR   7           H        THR   7 -11.886  -2.403   3.766
   63    HA   THR   7           HA       THR   7 -11.158   0.286   2.843
   64    HB   THR   7           HB       THR   7 -12.837   0.094   1.157
   65    HG1  THR   7           1HG      THR   7 -14.462  -1.289   1.211
   66   HG21  THR   7          3HG2      THR   7 -12.175  -1.705  -0.168
   67   HG22  THR   7          1HG2      THR   7 -11.732  -2.685   1.230
   68   HG23  THR   7          2HG2      THR   7 -10.760  -1.280   0.795
   69    H    LEU   8           H        LEU   8 -12.834   1.995   2.841
   70    HA   LEU   8           HA       LEU   8 -13.880   2.350   5.438
   71    HB2  LEU   8           2HB      LEU   8 -14.623   3.871   2.948
   72    HB3  LEU   8           1HB      LEU   8 -14.968   4.388   4.589
   73    HG   LEU   8           HG       LEU   8 -12.181   3.905   3.578
   74   HD11  LEU   8          1HD1      LEU   8 -13.166   5.674   2.246
   75   HD12  LEU   8          2HD1      LEU   8 -11.977   6.341   3.365
   76   HD13  LEU   8          3HD1      LEU   8 -13.699   6.503   3.709
   77   HD21  LEU   8          3HD2      LEU   8 -13.268   5.315   6.009
   78   HD22  LEU   8          1HD2      LEU   8 -11.575   5.333   5.514
   79   HD23  LEU   8          2HD2      LEU   8 -12.343   3.814   5.975
   80    H    THR   9           H        THR   9 -15.334   0.536   2.992
   81    HA   THR   9           HA       THR   9 -18.100   0.942   3.941
   82    HB   THR   9           HB       THR   9 -18.841  -0.289   1.963
   83    HG1  THR   9           1HG      THR   9 -17.497  -1.335   0.684
   84   HG21  THR   9          3HG2      THR   9 -16.904   1.935   1.467
   85   HG22  THR   9          1HG2      THR   9 -18.664   1.932   1.333
   86   HG23  THR   9          2HG2      THR   9 -17.685   1.101   0.122
   87    H    GLY  10           H        GLY  10 -15.546  -1.291   4.504
   88    HA2  GLY  10           2HA      GLY  10 -15.958  -2.825   6.340
   89    HA3  GLY  10           1HA      GLY  10 -17.511  -3.205   5.633
   90    H    LYS  11           H        LYS  11 -14.889  -2.962   3.392
   91    HA   LYS  11           HA       LYS  11 -14.990  -5.866   3.085
   92    HB2  LYS  11           2HB      LYS  11 -15.470  -4.255   1.166
   93    HB3  LYS  11           1HB      LYS  11 -13.737  -3.998   1.079
   94    HG2  LYS  11           2HG      LYS  11 -13.380  -6.341   0.603
   95    HG3  LYS  11           1HG      LYS  11 -15.103  -6.669   0.803
   96    HD2  LYS  11           2HD      LYS  11 -15.545  -5.065  -1.066
   97    HD3  LYS  11           1HD      LYS  11 -13.802  -4.965  -1.319
   98    HE2  LYS  11           2HE      LYS  11 -14.561  -6.553  -2.878
   99    HE3  LYS  11           1HE      LYS  11 -13.844  -7.497  -1.573
  100    HZ1  LYS  11           3HZ      LYS  11 -15.923  -8.470  -2.222
  101    HZ2  LYS  11           1HZ      LYS  11 -16.740  -7.003  -2.016
  102    HZ3  LYS  11           2HZ      LYS  11 -16.102  -7.812  -0.674
  103    H    THR  12           H        THR  12 -13.215  -7.232   3.213
  104    HA   THR  12           HA       THR  12 -10.584  -5.997   3.809
  105    HB   THR  12           HB       THR  12 -11.536  -8.748   4.679
  106    HG1  THR  12           1HG      THR  12 -12.054  -7.876   6.609
  107   HG21  THR  12          3HG2      THR  12  -9.676  -8.850   6.115
  108   HG22  THR  12          1HG2      THR  12  -9.309  -7.138   5.899
  109   HG23  THR  12          2HG2      THR  12  -9.031  -8.273   4.578
  110    H    ILE  13           H        ILE  13  -9.053  -6.366   2.276
  111    HA   ILE  13           HA       ILE  13  -9.453  -8.574   0.344
  112    HB   ILE  13           HB       ILE  13  -7.478  -6.348  -0.223
  113   HG12  ILE  13          2HG1      ILE  13 -10.416  -6.071  -0.918
  114   HG13  ILE  13          1HG1      ILE  13  -9.623  -5.200   0.388
  115   HG21  ILE  13          1HG2      ILE  13  -8.190  -6.869  -2.567
  116   HG22  ILE  13          2HG2      ILE  13  -9.183  -8.169  -1.910
  117   HG23  ILE  13          3HG2      ILE  13  -7.433  -8.207  -1.700
  118   HD11  ILE  13          3HD1      ILE  13  -9.938  -3.943  -1.771
  119   HD12  ILE  13          1HD1      ILE  13  -8.708  -5.000  -2.463
  120   HD13  ILE  13          2HD1      ILE  13  -8.306  -3.950  -1.103
  121    H    THR  14           H        THR  14  -7.807 -10.094   0.047
  122    HA   THR  14           HA       THR  14  -5.516  -9.916   1.894
  123    HB   THR  14           HB       THR  14  -6.430 -12.378   0.387
  124    HG1  THR  14           1HG      THR  14  -8.163 -12.134   1.593
  125   HG21  THR  14          3HG2      THR  14  -5.308 -13.614   2.094
  126   HG22  THR  14          1HG2      THR  14  -4.964 -12.142   3.003
  127   HG23  THR  14          2HG2      THR  14  -4.188 -12.418   1.443
  128    H    LEU  15           H        LEU  15  -3.501  -9.656   1.098
  129    HA   LEU  15           HA       LEU  15  -3.121  -9.931  -1.822
  130    HB2  LEU  15           2HB      LEU  15  -2.538  -7.685   0.029
  131    HB3  LEU  15           1HB      LEU  15  -1.263  -8.020  -1.118
  132    HG   LEU  15           HG       LEU  15  -3.149  -7.889  -2.914
  133   HD11  LEU  15          1HD1      LEU  15  -4.948  -6.368  -2.398
  134   HD12  LEU  15          2HD1      LEU  15  -4.398  -6.247  -0.726
  135   HD13  LEU  15          3HD1      LEU  15  -5.021  -7.780  -1.340
  136   HD21  LEU  15          3HD2      LEU  15  -2.127  -5.426  -1.515
  137   HD22  LEU  15          1HD2      LEU  15  -2.713  -5.520  -3.176
  138   HD23  LEU  15          2HD2      LEU  15  -1.244  -6.377  -2.710
  139    H    GLU  16           H        GLU  16  -1.200 -10.876  -2.520
  140    HA   GLU  16           HA       GLU  16   0.552 -12.056  -0.456
  141    HB2  GLU  16           2HB      GLU  16  -0.446 -13.539  -2.287
  142    HB3  GLU  16           1HB      GLU  16   0.565 -12.668  -3.429
  143    HG2  GLU  16           2HG      GLU  16   1.741 -14.628  -2.923
  144    HG3  GLU  16           1HG      GLU  16   2.538 -13.355  -1.999
  145    H    VAL  17           H        VAL  17   2.438 -10.949  -0.072
  146    HA   VAL  17           HA       VAL  17   3.623  -9.302  -2.223
  147    HB   VAL  17           HB       VAL  17   4.007  -7.468  -0.583
  148   HG11  VAL  17          1HG1      VAL  17   1.712  -6.594  -0.661
  149   HG12  VAL  17          2HG1      VAL  17   1.126  -8.201  -1.093
  150   HG13  VAL  17          3HG1      VAL  17   2.199  -7.329  -2.188
  151   HG21  VAL  17          3HG2      VAL  17   3.719  -8.867   1.489
  152   HG22  VAL  17          1HG2      VAL  17   1.984  -8.878   1.174
  153   HG23  VAL  17          2HG2      VAL  17   2.811  -7.355   1.503
  154    H    GLU  18           H        GLU  18   5.839  -8.479  -1.603
  155    HA   GLU  18           HA       GLU  18   7.309 -10.337   0.179
  156    HB2  GLU  18           2HB      GLU  18   8.229  -8.979  -2.378
  157    HB3  GLU  18           1HB      GLU  18   9.304  -9.821  -1.275
  158    HG2  GLU  18           2HG      GLU  18   6.955 -11.138  -2.607
  159    HG3  GLU  18           1HG      GLU  18   8.571 -11.104  -3.309
  160    HA   PRO  19           HA       PRO  19   8.161  -6.713   2.622
  161    HB2  PRO  19           2HB      PRO  19  10.987  -7.549   2.990
  162    HB3  PRO  19           1HB      PRO  19   9.726  -7.206   4.183
  163    HG2  PRO  19           2HG      PRO  19  10.478  -9.728   3.636
  164    HG3  PRO  19           1HG      PRO  19   8.796  -9.313   4.010
  165    HD2  PRO  19           2HD      PRO  19  10.046  -9.872   1.328
  166    HD3  PRO  19           1HD      PRO  19   8.453 -10.357   1.965
  167    H    SER  20           H        SER  20  10.391  -7.406  -0.028
  168    HA   SER  20           HA       SER  20  11.527  -4.737  -0.074
  169    HB2  SER  20           2HB      SER  20  12.679  -6.931  -0.779
  170    HB3  SER  20           1HB      SER  20  11.806  -6.743  -2.299
  171    HG   SER  20           HG       SER  20  13.526  -5.578  -2.738
  172    H    ASP  21           H        ASP  21   8.457  -5.756  -1.002
  173    HA   ASP  21           HA       ASP  21   8.233  -4.533  -3.585
  174    HB2  ASP  21           2HB      ASP  21   6.238  -5.527  -1.554
  175    HB3  ASP  21           1HB      ASP  21   5.699  -4.620  -2.958
  176    H    THR  22           H        THR  22   7.476  -2.477  -4.080
  177    HA   THR  22           HA       THR  22   7.692  -0.430  -2.025
  178    HB   THR  22           HB       THR  22   7.495   1.161  -3.858
  179    HG1  THR  22           1HG      THR  22   7.062   0.540  -5.901
  180   HG21  THR  22          3HG2      THR  22   9.348  -0.928  -4.912
  181   HG22  THR  22          1HG2      THR  22   9.697  -0.072  -3.411
  182   HG23  THR  22          2HG2      THR  22   9.520   0.827  -4.917
  183    H    ILE  23           H        ILE  23   6.047   1.230  -1.711
  184    HA   ILE  23           HA       ILE  23   3.402   0.249  -1.313
  185    HB   ILE  23           HB       ILE  23   4.455   3.073  -1.393
  186   HG12  ILE  23          2HG1      ILE  23   5.482   1.709   0.321
  187   HG13  ILE  23          1HG1      ILE  23   4.457   2.927   1.059
  188   HG21  ILE  23          1HG2      ILE  23   1.795   2.183  -0.294
  189   HG22  ILE  23          2HG2      ILE  23   2.034   3.134  -1.760
  190   HG23  ILE  23          3HG2      ILE  23   2.471   3.809  -0.190
  191   HD11  ILE  23          3HD1      ILE  23   4.137   0.934   2.282
  192   HD12  ILE  23          1HD1      ILE  23   3.919  -0.020   0.814
  193   HD13  ILE  23          2HD1      ILE  23   2.691   1.150   1.296
  194    H    GLU  24           H        GLU  24   4.765   2.199  -4.014
  195    HA   GLU  24           HA       GLU  24   2.373   2.625  -5.498
  196    HB2  GLU  24           2HB      GLU  24   4.661   3.634  -5.998
  197    HB3  GLU  24           1HB      GLU  24   5.111   2.082  -6.688
  198    HG2  GLU  24           2HG      GLU  24   3.433   2.312  -8.404
  199    HG3  GLU  24           1HG      GLU  24   2.820   3.785  -7.653
  200    H    ASN  25           H        ASN  25   4.528  -0.215  -5.327
  201    HA   ASN  25           HA       ASN  25   3.182  -1.703  -7.408
  202    HB2  ASN  25           2HB      ASN  25   5.561  -2.134  -6.440
  203    HB3  ASN  25           1HB      ASN  25   4.723  -2.990  -5.148
  204   HD21  ASN  25          1HD2      ASN  25   3.904  -5.040  -5.535
  205   HD22  ASN  25          2HD2      ASN  25   4.106  -5.858  -7.043
  206    H    VAL  26           H        VAL  26   2.761  -1.539  -3.884
  207    HA   VAL  26           HA       VAL  26   0.744  -3.581  -3.714
  208    HB   VAL  26           HB       VAL  26   1.260  -1.202  -1.882
  209   HG11  VAL  26          1HG1      VAL  26  -1.006  -1.970  -1.498
  210   HG12  VAL  26          2HG1      VAL  26   0.017  -2.499  -0.163
  211   HG13  VAL  26          3HG1      VAL  26  -0.460  -3.646  -1.415
  212   HG21  VAL  26          3HG2      VAL  26   2.505  -2.670  -0.511
  213   HG22  VAL  26          1HG2      VAL  26   3.103  -2.877  -2.156
  214   HG23  VAL  26          2HG2      VAL  26   2.018  -4.078  -1.452
  215    H    LYS  27           H        LYS  27   0.510  -0.047  -4.306
  216    HA   LYS  27           HA       LYS  27  -2.319   0.080  -4.393
  217    HB2  LYS  27           2HB      LYS  27  -0.291   1.748  -5.918
  218    HB3  LYS  27           1HB      LYS  27  -2.002   2.119  -5.810
  219    HG2  LYS  27           2HG      LYS  27  -1.336   2.075  -3.153
  220    HG3  LYS  27           1HG      LYS  27   0.187   2.649  -3.894
  221    HD2  LYS  27           2HD      LYS  27  -1.309   4.292  -5.158
  222    HD3  LYS  27           1HD      LYS  27  -2.525   3.888  -3.945
  223    HE2  LYS  27           2HE      LYS  27   0.260   4.774  -3.216
  224    HE3  LYS  27           1HE      LYS  27  -1.058   5.917  -3.481
  225    HZ1  LYS  27           3HZ      LYS  27  -0.920   3.791  -1.417
  226    HZ2  LYS  27           1HZ      LYS  27  -2.318   4.687  -1.745
  227    HZ3  LYS  27           2HZ      LYS  27  -0.930   5.464  -1.167
  228    H    ALA  28           H        ALA  28   0.083  -0.676  -6.933
  229    HA   ALA  28           HA       ALA  28  -1.710  -0.739  -9.123
  230    HB1  ALA  28           1HB      ALA  28   0.857  -2.293  -8.794
  231    HB2  ALA  28           2HB      ALA  28   0.694  -0.677  -9.478
  232    HB3  ALA  28           3HB      ALA  28  -0.014  -2.061 -10.310
  233    H    LYS  29           H        LYS  29  -0.791  -3.250  -6.781
  234    HA   LYS  29           HA       LYS  29  -2.245  -5.450  -7.975
  235    HB2  LYS  29           2HB      LYS  29  -1.383  -5.001  -5.107
  236    HB3  LYS  29           1HB      LYS  29  -2.017  -6.508  -5.756
  237    HG2  LYS  29           2HG      LYS  29  -0.121  -6.846  -7.116
  238    HG3  LYS  29           1HG      LYS  29   0.428  -5.189  -6.891
  239    HD2  LYS  29           2HD      LYS  29   1.846  -6.330  -5.489
  240    HD3  LYS  29           1HD      LYS  29   0.580  -5.854  -4.364
  241    HE2  LYS  29           2HE      LYS  29   0.932  -8.080  -3.841
  242    HE3  LYS  29           1HE      LYS  29  -0.466  -8.156  -4.910
  243    HZ1  LYS  29           3HZ      LYS  29   2.351  -8.651  -5.716
  244    HZ2  LYS  29           1HZ      LYS  29   1.003  -8.734  -6.736
  245    HZ3  LYS  29           2HZ      LYS  29   1.174  -9.840  -5.468
  246    H    ILE  30           H        ILE  30  -3.145  -2.932  -5.618
  247    HA   ILE  30           HA       ILE  30  -5.782  -3.998  -5.107
  248    HB   ILE  30           HB       ILE  30  -4.616  -1.233  -4.658
  249   HG12  ILE  30          2HG1      ILE  30  -5.379  -3.452  -2.745
  250   HG13  ILE  30          1HG1      ILE  30  -3.750  -3.144  -3.323
  251   HG21  ILE  30          1HG2      ILE  30  -6.941  -0.772  -4.884
  252   HG22  ILE  30          2HG2      ILE  30  -6.664  -0.905  -3.149
  253   HG23  ILE  30          3HG2      ILE  30  -7.396  -2.246  -4.029
  254   HD11  ILE  30          3HD1      ILE  30  -4.261  -0.748  -2.289
  255   HD12  ILE  30          1HD1      ILE  30  -3.634  -2.089  -1.329
  256   HD13  ILE  30          2HD1      ILE  30  -5.358  -1.714  -1.300
  257    H    GLN  31           H        GLN  31  -4.510  -1.640  -7.499
  258    HA   GLN  31           HA       GLN  31  -6.978  -0.858  -8.708
  259    HB2  GLN  31           2HB      GLN  31  -4.786   0.250  -9.168
  260    HB3  GLN  31           1HB      GLN  31  -4.230  -1.211  -9.972
  261    HG2  GLN  31           2HG      GLN  31  -6.215  -0.805 -11.578
  262    HG3  GLN  31           1HG      GLN  31  -6.263   0.809 -10.878
  263   HE21  GLN  31          1HE2      GLN  31  -5.533  -0.291 -13.637
  264   HE22  GLN  31          2HE2      GLN  31  -4.004   0.439 -13.970
  265    H    ASP  32           H        ASP  32  -4.801  -3.596  -9.365
  266    HA   ASP  32           HA       ASP  32  -6.215  -4.686 -11.585
  267    HB2  ASP  32           2HB      ASP  32  -4.552  -6.217  -9.574
  268    HB3  ASP  32           1HB      ASP  32  -4.967  -6.750 -11.207
  269    H    LYS  33           H        LYS  33  -6.550  -5.359  -8.096
  270    HA   LYS  33           HA       LYS  33  -8.557  -7.405  -8.508
  271    HB2  LYS  33           2HB      LYS  33  -7.830  -5.977  -5.946
  272    HB3  LYS  33           1HB      LYS  33  -8.679  -7.501  -6.069
  273    HG2  LYS  33           2HG      LYS  33  -6.193  -7.851  -7.409
  274    HG3  LYS  33           1HG      LYS  33  -5.851  -6.995  -5.909
  275    HD2  LYS  33           2HD      LYS  33  -7.079  -8.757  -4.670
  276    HD3  LYS  33           1HD      LYS  33  -7.305  -9.625  -6.190
  277    HE2  LYS  33           2HE      LYS  33  -4.947  -9.937  -6.439
  278    HE3  LYS  33           1HE      LYS  33  -4.609  -8.872  -5.075
  279    HZ1  LYS  33           3HZ      LYS  33  -4.388 -11.104  -4.338
  280    HZ2  LYS  33           1HZ      LYS  33  -5.889 -11.547  -4.985
  281    HZ3  LYS  33           2HZ      LYS  33  -5.814 -10.499  -3.658
  282    H    GLU  34           H        GLU  34  -8.725  -4.012  -7.396
  283    HA   GLU  34           HA       GLU  34 -11.676  -4.239  -7.385
  284    HB2  GLU  34           2HB      GLU  34  -9.803  -2.547  -5.765
  285    HB3  GLU  34           1HB      GLU  34 -11.552  -2.327  -5.762
  286    HG2  GLU  34           2HG      GLU  34 -10.308  -4.988  -5.232
  287    HG3  GLU  34           1HG      GLU  34 -10.465  -3.790  -3.917
  288    H    GLY  35           H        GLY  35  -9.309  -2.712  -9.304
  289    HA2  GLY  35           2HA      GLY  35  -9.614  -1.310 -11.072
  290    HA3  GLY  35           1HA      GLY  35 -11.312  -1.222 -10.675
  291    H    ILE  36           H        ILE  36  -9.285  -0.255  -8.071
  292    HA   ILE  36           HA       ILE  36 -10.098   2.527  -8.360
  293    HB   ILE  36           HB       ILE  36  -8.357   1.327  -6.180
  294   HG12  ILE  36          2HG1      ILE  36 -11.310   1.782  -5.755
  295   HG13  ILE  36          1HG1      ILE  36 -10.780   0.296  -6.529
  296   HG21  ILE  36          1HG2      ILE  36  -8.415   3.824  -6.403
  297   HG22  ILE  36          2HG2      ILE  36  -8.988   3.225  -4.846
  298   HG23  ILE  36          3HG2      ILE  36 -10.144   3.763  -6.064
  299   HD11  ILE  36          3HD1      ILE  36  -9.420  -0.257  -4.606
  300   HD12  ILE  36          1HD1      ILE  36 -11.098   0.015  -4.135
  301   HD13  ILE  36          2HD1      ILE  36  -9.882   1.255  -3.827
  302    HA   PRO  37           HA       PRO  37  -6.092   3.367 -10.396
  303    HB2  PRO  37           2HB      PRO  37  -6.749   6.255 -10.095
  304    HB3  PRO  37           1HB      PRO  37  -6.446   5.324 -11.567
  305    HG2  PRO  37           2HG      PRO  37  -8.900   6.179 -10.930
  306    HG3  PRO  37           1HG      PRO  37  -8.637   4.617 -11.726
  307    HD2  PRO  37           2HD      PRO  37  -9.169   5.191  -8.823
  308    HD3  PRO  37           1HD      PRO  37  -9.866   3.938  -9.873
  309    HA   PRO  38           HA       PRO  38  -3.513   4.010  -6.831
  310    HB2  PRO  38           2HB      PRO  38  -1.436   5.174  -8.672
  311    HB3  PRO  38           1HB      PRO  38  -1.296   3.816  -7.548
  312    HG2  PRO  38           2HG      PRO  38  -1.453   3.400 -10.163
  313    HG3  PRO  38           1HG      PRO  38  -2.281   2.326  -9.021
  314    HD2  PRO  38           2HD      PRO  38  -3.411   4.525 -10.717
  315    HD3  PRO  38           1HD      PRO  38  -4.072   2.914 -10.369
  316    H    ASP  39           H        ASP  39  -3.826   6.773  -9.054
  317    HA   ASP  39           HA       ASP  39  -2.787   8.656  -7.228
  318    HB2  ASP  39           2HB      ASP  39  -3.640  10.393  -8.707
  319    HB3  ASP  39           1HB      ASP  39  -2.864   9.127  -9.637
  320    H    GLN  40           H        GLN  40  -5.896   7.114  -7.233
  321    HA   GLN  40           HA       GLN  40  -7.119   9.219  -5.590
  322    HB2  GLN  40           2HB      GLN  40  -8.292   6.774  -6.923
  323    HB3  GLN  40           1HB      GLN  40  -9.199   7.856  -5.880
  324    HG2  GLN  40           2HG      GLN  40  -8.498   9.708  -7.481
  325    HG3  GLN  40           1HG      GLN  40  -8.001   8.410  -8.566
  326   HE21  GLN  40          1HE2      GLN  40 -10.653  10.255  -7.363
  327   HE22  GLN  40          2HE2      GLN  40 -11.894   9.425  -8.232
  328    H    GLN  41           H        GLN  41  -5.242   6.487  -5.047
  329    HA   GLN  41           HA       GLN  41  -6.717   5.518  -2.684
  330    HB2  GLN  41           2HB      GLN  41  -4.507   4.408  -4.382
  331    HB3  GLN  41           1HB      GLN  41  -4.893   3.706  -2.816
  332    HG2  GLN  41           2HG      GLN  41  -7.256   3.459  -3.650
  333    HG3  GLN  41           1HG      GLN  41  -6.645   3.890  -5.247
  334   HE21  GLN  41          1HE2      GLN  41  -6.108   2.206  -6.520
  335   HE22  GLN  41          2HE2      GLN  41  -5.636   0.645  -5.951
  336    H    ARG  42           H        ARG  42  -6.030   5.771  -0.609
  337    HA   ARG  42           HA       ARG  42  -3.300   6.732  -0.132
  338    HB2  ARG  42           2HB      ARG  42  -5.793   7.498   1.422
  339    HB3  ARG  42           1HB      ARG  42  -4.155   7.938   1.881
  340    HG2  ARG  42           2HG      ARG  42  -3.948   9.214  -0.223
  341    HG3  ARG  42           1HG      ARG  42  -5.632   8.830  -0.584
  342    HD2  ARG  42           2HD      ARG  42  -6.416  10.078   1.261
  343    HD3  ARG  42           1HD      ARG  42  -4.806  10.189   1.968
  344    HE   ARG  42           HE       ARG  42  -5.086  11.456  -0.622
  345   HH11  ARG  42          1HH1      ARG  42  -5.298  12.022   2.881
  346   HH12  ARG  42          2HH1      ARG  42  -5.038  13.723   2.713
  347   HH21  ARG  42          1HH2      ARG  42  -4.749  13.684  -0.762
  348   HH22  ARG  42          2HH2      ARG  42  -4.730  14.657   0.671
  349    H    LEU  43           H        LEU  43  -2.140   5.379   1.213
  350    HA   LEU  43           HA       LEU  43  -3.643   3.244   2.608
  351    HB2  LEU  43           2HB      LEU  43  -0.810   3.279   1.544
  352    HB3  LEU  43           1HB      LEU  43  -1.547   1.979   2.470
  353    HG   LEU  43           HG       LEU  43  -2.583   2.900  -0.214
  354   HD11  LEU  43          1HD1      LEU  43  -0.806   0.544   0.404
  355   HD12  LEU  43          2HD1      LEU  43  -0.306   2.016  -0.428
  356   HD13  LEU  43          3HD1      LEU  43  -1.499   0.949  -1.166
  357   HD21  LEU  43          3HD2      LEU  43  -3.148   0.465   1.475
  358   HD22  LEU  43          1HD2      LEU  43  -3.711   0.691  -0.181
  359   HD23  LEU  43          2HD2      LEU  43  -4.265   1.776   1.095
  360    H    ILE  44           H        ILE  44  -3.536   3.052   4.755
  361    HA   ILE  44           HA       ILE  44  -1.533   4.620   6.273
  362    HB   ILE  44           HB       ILE  44  -4.512   4.353   6.667
  363   HG12  ILE  44          2HG1      ILE  44  -3.883   6.931   7.262
  364   HG13  ILE  44          1HG1      ILE  44  -2.569   6.579   6.161
  365   HG21  ILE  44          1HG2      ILE  44  -2.512   5.077   8.817
  366   HG22  ILE  44          2HG2      ILE  44  -3.734   3.806   8.860
  367   HG23  ILE  44          3HG2      ILE  44  -4.224   5.500   8.899
  368   HD11  ILE  44          3HD1      ILE  44  -5.253   5.817   5.210
  369   HD12  ILE  44          1HD1      ILE  44  -3.882   6.537   4.360
  370   HD13  ILE  44          2HD1      ILE  44  -4.919   7.542   5.372
  371    H    PHE  45           H        PHE  45  -0.466   3.610   7.862
  372    HA   PHE  45           HA       PHE  45  -1.407   1.014   8.872
  373    HB2  PHE  45           2HB      PHE  45   0.315   0.549   7.146
  374    HB3  PHE  45           1HB      PHE  45   1.453   1.577   8.002
  375    HD1  PHE  45           1HD      PHE  45  -0.770  -1.353   8.681
  376    HD2  PHE  45           2HD      PHE  45   3.002   0.501   9.375
  377    HE1  PHE  45           1HE      PHE  45  -0.067  -3.289  10.022
  378    HE2  PHE  45           2HE      PHE  45   3.710  -1.439  10.712
  379    HZ   PHE  45           HZ       PHE  45   2.174  -3.334  11.042
  380    H    ALA  46           H        ALA  46  -1.457   1.088  11.120
  381    HA   ALA  46           HA       ALA  46  -1.267   1.950  13.235
  382    HB1  ALA  46           1HB      ALA  46   0.932   1.930  14.116
  383    HB2  ALA  46           2HB      ALA  46   1.644   2.288  12.542
  384    HB3  ALA  46           3HB      ALA  46   0.893   0.718  12.835
  385    H    GLY  47           H        GLY  47  -2.307   3.885  11.619
  386    HA2  GLY  47           2HA      GLY  47  -2.863   6.095  11.742
  387    HA3  GLY  47           1HA      GLY  47  -1.699   6.272  13.034
  388    H    LYS  48           H        LYS  48   0.003   5.082  10.358
  389    HA   LYS  48           HA       LYS  48   0.822   7.816   9.572
  390    HB2  LYS  48           2HB      LYS  48   2.482   5.331   9.198
  391    HB3  LYS  48           1HB      LYS  48   3.021   6.992   9.118
  392    HG2  LYS  48           2HG      LYS  48   2.729   7.245  11.515
  393    HG3  LYS  48           1HG      LYS  48   2.089   5.605  11.626
  394    HD2  LYS  48           2HD      LYS  48   4.269   4.784  10.708
  395    HD3  LYS  48           1HD      LYS  48   4.882   6.433  10.853
  396    HE2  LYS  48           2HE      LYS  48   4.449   6.387  13.257
  397    HE3  LYS  48           1HE      LYS  48   3.816   4.748  13.117
  398    HZ1  LYS  48           3HZ      LYS  48   6.602   5.612  12.561
  399    HZ2  LYS  48           1HZ      LYS  48   6.011   4.045  12.313
  400    HZ3  LYS  48           2HZ      LYS  48   6.080   4.686  13.876
  401    H    GLN  49           H        GLN  49   0.849   8.469   7.448
  402    HA   GLN  49           HA       GLN  49  -0.466   6.771   5.482
  403    HB2  GLN  49           2HB      GLN  49  -0.640   9.367   5.788
  404    HB3  GLN  49           1HB      GLN  49   0.827   9.421   4.822
  405    HG2  GLN  49           2HG      GLN  49  -0.362   8.148   3.050
  406    HG3  GLN  49           1HG      GLN  49  -1.835   8.269   4.011
  407   HE21  GLN  49          1HE2      GLN  49  -2.164  10.722   4.797
  408   HE22  GLN  49          2HE2      GLN  49  -2.069  11.862   3.503
  409    H    LEU  50           H        LEU  50   0.612   5.488   3.992
  410    HA   LEU  50           HA       LEU  50   3.508   5.329   4.119
  411    HB2  LEU  50           2HB      LEU  50   1.678   3.681   2.383
  412    HB3  LEU  50           1HB      LEU  50   3.326   3.323   2.841
  413    HG   LEU  50           HG       LEU  50   0.980   3.408   4.738
  414   HD11  LEU  50          1HD1      LEU  50   1.087   0.994   4.768
  415   HD12  LEU  50          2HD1      LEU  50   2.437   1.012   3.633
  416   HD13  LEU  50          3HD1      LEU  50   0.843   1.561   3.116
  417   HD21  LEU  50          3HD2      LEU  50   2.428   2.551   6.413
  418   HD22  LEU  50          1HD2      LEU  50   3.271   3.918   5.687
  419   HD23  LEU  50          2HD2      LEU  50   3.725   2.271   5.252
  420    H    GLU  51           H        GLU  51   4.977   5.947   2.557
  421    HA   GLU  51           HA       GLU  51   3.969   7.541   0.315
  422    HB2  GLU  51           2HB      GLU  51   6.743   7.142   1.451
  423    HB3  GLU  51           1HB      GLU  51   6.425   8.095   0.006
  424    HG2  GLU  51           2HG      GLU  51   5.313   9.752   1.159
  425    HG3  GLU  51           1HG      GLU  51   5.008   8.731   2.564
  426    H    ASP  52           H        ASP  52   4.325   7.198  -1.857
  427    HA   ASP  52           HA       ASP  52   4.365   4.536  -2.738
  428    HB2  ASP  52           2HB      ASP  52   4.679   7.105  -4.291
  429    HB3  ASP  52           1HB      ASP  52   4.513   5.516  -5.035
  430    H    GLY  53           H        GLY  53   7.083   6.753  -2.383
  431    HA2  GLY  53           2HA      GLY  53   8.851   5.096  -3.997
  432    HA3  GLY  53           1HA      GLY  53   9.293   6.533  -3.101
  433    H    ARG  54           H        ARG  54   7.699   4.590  -0.871
  434    HA   ARG  54           HA       ARG  54  10.261   3.443   0.090
  435    HB2  ARG  54           2HB      ARG  54   7.702   4.030   1.603
  436    HB3  ARG  54           1HB      ARG  54   9.141   3.315   2.302
  437    HG2  ARG  54           2HG      ARG  54   8.811   6.135   1.279
  438    HG3  ARG  54           1HG      ARG  54   9.036   5.601   2.931
  439    HD2  ARG  54           2HD      ARG  54  11.295   4.844   2.421
  440    HD3  ARG  54           1HD      ARG  54  11.086   5.313   0.733
  441    HE   ARG  54           HE       ARG  54  11.717   7.021   2.943
  442   HH11  ARG  54          1HH1      ARG  54  10.196   7.057  -0.266
  443   HH12  ARG  54          2HH1      ARG  54  10.463   8.753  -0.475
  444   HH21  ARG  54          1HH2      ARG  54  12.030   9.233   2.603
  445   HH22  ARG  54          2HH2      ARG  54  11.491   9.977   1.136
  446    H    THR  55           H        THR  55  10.088   1.353   1.314
  447    HA   THR  55           HA       THR  55   8.303  -0.547  -0.107
  448    HB   THR  55           HB       THR  55   9.850  -2.305   0.486
  449    HG1  THR  55           1HG      THR  55  10.881  -1.890   2.297
  450   HG21  THR  55          3HG2      THR  55  11.607  -1.879  -0.939
  451   HG22  THR  55          1HG2      THR  55  11.680  -0.170  -0.507
  452   HG23  THR  55          2HG2      THR  55  10.359  -0.769  -1.509
  453    H    LEU  56           H        LEU  56   7.622  -2.472   1.115
  454    HA   LEU  56           HA       LEU  56   6.132  -1.870   3.437
  455    HB2  LEU  56           2HB      LEU  56   7.042  -4.564   2.432
  456    HB3  LEU  56           1HB      LEU  56   5.810  -4.309   3.658
  457    HG   LEU  56           HG       LEU  56   5.609  -3.410   0.779
  458   HD11  LEU  56          1HD1      LEU  56   5.566  -5.796   0.853
  459   HD12  LEU  56          2HD1      LEU  56   3.915  -5.221   0.620
  460   HD13  LEU  56          3HD1      LEU  56   4.438  -5.785   2.208
  461   HD21  LEU  56          3HD2      LEU  56   3.165  -3.164   1.417
  462   HD22  LEU  56          1HD2      LEU  56   4.259  -1.969   2.111
  463   HD23  LEU  56          2HD2      LEU  56   3.679  -3.311   3.096
  464    H    SER  57           H        SER  57   9.377  -3.304   3.205
  465    HA   SER  57           HA       SER  57   9.601  -4.043   5.952
  466    HB2  SER  57           2HB      SER  57  11.088  -5.134   4.397
  467    HB3  SER  57           1HB      SER  57  11.740  -3.578   3.867
  468    HG   SER  57           HG       SER  57  13.070  -4.778   5.390
  469    H    ASP  58           H        ASP  58  10.239  -1.010   4.226
  470    HA   ASP  58           HA       ASP  58  11.781   0.293   6.209
  471    HB2  ASP  58           2HB      ASP  58   9.884   1.490   4.172
  472    HB3  ASP  58           1HB      ASP  58  11.008   2.423   5.148
  473    H    TYR  59           H        TYR  59   8.306  -0.243   6.026
  474    HA   TYR  59           HA       TYR  59   7.825   1.473   8.373
  475    HB2  TYR  59           2HB      TYR  59   5.968   0.141   6.382
  476    HB3  TYR  59           1HB      TYR  59   5.382   0.904   7.858
  477    HD1  TYR  59           1HD      TYR  59   5.731   3.349   8.207
  478    HD2  TYR  59           2HD      TYR  59   6.573   1.468   4.483
  479    HE1  TYR  59           1HE      TYR  59   5.717   5.544   7.101
  480    HE2  TYR  59           2HE      TYR  59   6.559   3.659   3.368
  481    HH   TYR  59           HH       TYR  59   5.269   6.370   4.626
  482    H    ASN  60           H        ASN  60   8.969  -1.548   8.145
  483    HA   ASN  60           HA       ASN  60   8.954  -3.435   9.352
  484    HB2  ASN  60           2HB      ASN  60   9.507  -1.826  11.132
  485    HB3  ASN  60           1HB      ASN  60   7.799  -1.584  11.459
  486   HD21  ASN  60          1HD2      ASN  60   7.959  -2.231  13.646
  487   HD22  ASN  60          2HD2      ASN  60   8.293  -3.864  14.100
  488    H    ILE  61           H        ILE  61   6.767  -3.237   7.592
  489    HA   ILE  61           HA       ILE  61   4.400  -4.205   8.990
  490    HB   ILE  61           HB       ILE  61   4.927  -3.937   6.004
  491   HG12  ILE  61          2HG1      ILE  61   3.162  -2.235   7.773
  492   HG13  ILE  61          1HG1      ILE  61   4.820  -1.804   7.392
  493   HG21  ILE  61          1HG2      ILE  61   2.457  -4.174   5.767
  494   HG22  ILE  61          2HG2      ILE  61   2.366  -4.586   7.479
  495   HG23  ILE  61          3HG2      ILE  61   3.239  -5.637   6.365
  496   HD11  ILE  61          3HD1      ILE  61   3.358  -0.575   5.960
  497   HD12  ILE  61          1HD1      ILE  61   2.532  -2.051   5.458
  498   HD13  ILE  61          2HD1      ILE  61   4.209  -1.777   4.989
  499    H    GLN  62           H        GLN  62   4.077  -6.285   9.496
  500    HA   GLN  62           HA       GLN  62   5.821  -8.389   8.343
  501    HB2  GLN  62           2HB      GLN  62   4.506  -8.065  11.046
  502    HB3  GLN  62           1HB      GLN  62   5.327  -9.536  10.537
  503    HG2  GLN  62           2HG      GLN  62   7.421  -8.442  10.438
  504    HG3  GLN  62           1HG      GLN  62   6.676  -6.853  10.600
  505   HE21  GLN  62          1HE2      GLN  62   6.136  -6.083  12.650
  506   HE22  GLN  62          2HE2      GLN  62   6.565  -6.925  14.096
  507    H    LYS  63           H        LYS  63   4.827 -10.666   8.567
  508    HA   LYS  63           HA       LYS  63   2.651 -10.940   6.901
  509    HB2  LYS  63           2HB      LYS  63   2.418 -13.282   7.688
  510    HB3  LYS  63           1HB      LYS  63   4.070 -12.847   7.273
  511    HG2  LYS  63           2HG      LYS  63   4.539 -12.507   9.681
  512    HG3  LYS  63           1HG      LYS  63   2.918 -13.108  10.038
  513    HD2  LYS  63           2HD      LYS  63   3.433 -15.250   9.113
  514    HD3  LYS  63           1HD      LYS  63   4.968 -14.665   8.468
  515    HE2  LYS  63           2HE      LYS  63   5.760 -14.282  10.769
  516    HE3  LYS  63           1HE      LYS  63   4.239 -14.930  11.384
  517    HZ1  LYS  63           3HZ      LYS  63   6.109 -16.459   9.659
  518    HZ2  LYS  63           1HZ      LYS  63   4.747 -17.054  10.467
  519    HZ3  LYS  63           2HZ      LYS  63   6.100 -16.549  11.349
  520    H    GLU  64           H        GLU  64   0.436 -11.232   7.066
  521    HA   GLU  64           HA       GLU  64  -1.671 -11.045   7.848
  522    HB2  GLU  64           2HB      GLU  64  -0.544 -11.909  10.513
  523    HB3  GLU  64           1HB      GLU  64  -2.253 -11.776  10.127
  524    HG2  GLU  64           2HG      GLU  64  -1.712 -13.430   8.216
  525    HG3  GLU  64           1HG      GLU  64  -0.243 -13.764   9.137
  526    H    SER  65           H        SER  65   0.279  -8.645   8.200
  527    HA   SER  65           HA       SER  65  -1.001  -7.075  10.287
  528    HB2  SER  65           2HB      SER  65   0.932  -6.407   8.058
  529    HB3  SER  65           1HB      SER  65   0.248  -5.176   9.116
  530    HG   SER  65           HG       SER  65   1.870  -5.693  10.363
  531    H    THR  66           H        THR  66  -2.391  -5.257   9.924
  532    HA   THR  66           HA       THR  66  -4.061  -5.457   7.487
  533    HB   THR  66           HB       THR  66  -4.809  -4.338  10.193
  534    HG1  THR  66           1HG      THR  66  -5.237  -6.956   9.162
  535   HG21  THR  66          3HG2      THR  66  -7.129  -5.056   9.312
  536   HG22  THR  66          1HG2      THR  66  -6.369  -4.984   7.723
  537   HG23  THR  66          2HG2      THR  66  -6.426  -3.543   8.739
  538    H    LEU  67           H        LEU  67  -4.007  -3.766   6.111
  539    HA   LEU  67           HA       LEU  67  -3.060  -1.122   7.007
  540    HB2  LEU  67           2HB      LEU  67  -3.286  -2.093   4.145
  541    HB3  LEU  67           1HB      LEU  67  -2.510  -0.634   4.727
  542    HG   LEU  67           HG       LEU  67  -0.945  -2.401   5.994
  543   HD11  LEU  67          1HD1      LEU  67  -2.071  -4.392   5.369
  544   HD12  LEU  67          2HD1      LEU  67  -0.504  -4.342   4.563
  545   HD13  LEU  67          3HD1      LEU  67  -1.972  -3.967   3.661
  546   HD21  LEU  67          3HD2      LEU  67  -0.714  -1.634   3.096
  547   HD22  LEU  67          1HD2      LEU  67   0.589  -2.338   4.054
  548   HD23  LEU  67          2HD2      LEU  67  -0.070  -0.761   4.490
  549    H    HIS  68           H        HIS  68  -4.279   0.735   6.209
  550    HA   HIS  68           HA       HIS  68  -7.113   0.124   5.613
  551    HB2  HIS  68           2HB      HIS  68  -5.845   2.466   7.056
  552    HB3  HIS  68           1HB      HIS  68  -7.546   2.388   6.633
  553    HD1  HIS  68           1HD      HIS  68  -4.983   0.748   8.849
  554    HD2  HIS  68           2HD      HIS  68  -9.109   0.929   8.401
  555    HE1  HIS  68           1HE      HIS  68  -5.925  -0.392  10.878
  556    H    LEU  69           H        LEU  69  -8.042   0.956   3.794
  557    HA   LEU  69           HA       LEU  69  -6.380   2.700   2.070
  558    HB2  LEU  69           2HB      LEU  69  -7.046   0.460   1.183
  559    HB3  LEU  69           1HB      LEU  69  -8.726   0.922   1.361
  560    HG   LEU  69           HG       LEU  69  -8.305   2.747  -0.300
  561   HD11  LEU  69          1HD1      LEU  69  -5.889   2.935  -0.019
  562   HD12  LEU  69          2HD1      LEU  69  -6.317   2.617  -1.700
  563   HD13  LEU  69          3HD1      LEU  69  -5.687   1.316  -0.690
  564   HD21  LEU  69          3HD2      LEU  69  -8.240   1.232  -2.256
  565   HD22  LEU  69          1HD2      LEU  69  -9.374   0.713  -1.009
  566   HD23  LEU  69          2HD2      LEU  69  -7.812  -0.090  -1.172
  567    H    VAL  70           H        VAL  70  -7.077   4.765   1.675
  568    HA   VAL  70           HA       VAL  70  -9.848   5.509   2.244
  569    HB   VAL  70           HB       VAL  70  -7.224   6.827   2.854
  570   HG11  VAL  70          1HG1      VAL  70  -9.825   8.375   2.690
  571   HG12  VAL  70          2HG1      VAL  70  -8.382   8.655   1.715
  572   HG13  VAL  70          3HG1      VAL  70  -8.350   8.974   3.449
  573   HG21  VAL  70          3HG2      VAL  70  -9.673   6.589   4.536
  574   HG22  VAL  70          1HG2      VAL  70  -8.073   7.140   5.038
  575   HG23  VAL  70          2HG2      VAL  70  -8.307   5.470   4.525
  576    H    LEU  71           H        LEU  71 -10.865   6.708   0.607
  577    HA   LEU  71           HA       LEU  71  -9.399   6.922  -1.935
  578    HB2  LEU  71           2HB      LEU  71 -12.377   6.922  -1.428
  579    HB3  LEU  71           1HB      LEU  71 -11.611   6.980  -3.005
  580    HG   LEU  71           HG       LEU  71 -11.244   4.670  -1.099
  581   HD11  LEU  71          1HD1      LEU  71 -12.918   3.465  -2.349
  582   HD12  LEU  71          2HD1      LEU  71 -13.193   4.861  -3.392
  583   HD13  LEU  71          3HD1      LEU  71 -13.627   4.936  -1.684
  584   HD21  LEU  71          3HD2      LEU  71 -10.776   4.946  -4.067
  585   HD22  LEU  71          1HD2      LEU  71 -10.525   3.486  -3.110
  586   HD23  LEU  71          2HD2      LEU  71  -9.528   4.913  -2.822
  587    H    ARG  72           H        ARG  72  -8.995   8.830  -2.897
  588    HA   ARG  72           HA       ARG  72  -9.880  11.288  -1.555
  589    HB2  ARG  72           2HB      ARG  72  -7.440  10.791  -2.146
  590    HB3  ARG  72           1HB      ARG  72  -7.894  11.073  -3.821
  591    HG2  ARG  72           2HG      ARG  72  -8.627  13.341  -3.221
  592    HG3  ARG  72           1HG      ARG  72  -8.111  13.050  -1.558
  593    HD2  ARG  72           2HD      ARG  72  -5.822  12.719  -2.306
  594    HD3  ARG  72           1HD      ARG  72  -6.322  12.938  -3.982
  595    HE   ARG  72           HE       ARG  72  -5.839  14.987  -2.034
  596   HH11  ARG  72          1HH1      ARG  72  -7.610  14.325  -5.038
  597   HH12  ARG  72          2HH1      ARG  72  -7.712  15.998  -5.458
  598   HH21  ARG  72          1HH2      ARG  72  -6.011  17.161  -2.642
  599   HH22  ARG  72          2HH2      ARG  72  -6.815  17.591  -4.115
  600    H    LEU  73           H        LEU  73 -11.444  12.566  -2.371
  601    HA   LEU  73           HA       LEU  73 -11.952  12.686  -5.240
  602    HB2  LEU  73           2HB      LEU  73 -13.318  10.786  -4.072
  603    HB3  LEU  73           1HB      LEU  73 -14.315  12.099  -3.473
  604    HG   LEU  73           HG       LEU  73 -13.766  11.661  -6.411
  605   HD11  LEU  73          1HD1      LEU  73 -15.949  10.610  -6.556
  606   HD12  LEU  73          2HD1      LEU  73 -16.156  10.752  -4.810
  607   HD13  LEU  73          3HD1      LEU  73 -14.903   9.699  -5.467
  608   HD21  LEU  73          3HD2      LEU  73 -14.464  13.893  -5.981
  609   HD22  LEU  73          1HD2      LEU  73 -15.729  13.355  -4.877
  610   HD23  LEU  73          2HD2      LEU  73 -15.868  13.030  -6.606
  611    H    ARG  74           H        ARG  74 -12.055  14.807  -5.701
  612    HA   ARG  74           HA       ARG  74 -13.718  16.595  -4.099
  613    HB2  ARG  74           2HB      ARG  74 -10.767  17.098  -4.535
  614    HB3  ARG  74           1HB      ARG  74 -11.904  18.282  -3.905
  615    HG2  ARG  74           2HG      ARG  74 -12.362  16.754  -2.004
  616    HG3  ARG  74           1HG      ARG  74 -11.094  15.687  -2.612
  617    HD2  ARG  74           2HD      ARG  74  -9.533  17.668  -2.475
  618    HD3  ARG  74           1HD      ARG  74 -10.811  18.506  -1.596
  619    HE   ARG  74           HE       ARG  74  -9.043  16.520  -0.579
  620   HH11  ARG  74          1HH1      ARG  74 -12.343  17.750  -0.129
  621   HH12  ARG  74          2HH1      ARG  74 -12.431  17.184   1.502
  622   HH21  ARG  74          1HH2      ARG  74  -9.227  15.806   1.556
  623   HH22  ARG  74          2HH2      ARG  74 -10.682  16.093   2.450
  624    H    GLY  75           H        GLY  75 -13.929  18.795  -5.128
  625    HA2  GLY  75           2HA      GLY  75 -14.153  20.202  -6.944
  626    HA3  GLY  75           1HA      GLY  75 -13.133  19.116  -7.876
  627    H    GLY  76           H        GLY  76 -14.552  19.375  -9.704
  628    HA2  GLY  76           2HA      GLY  76 -16.295  17.364 -10.265
  629    HA3  GLY  76           1HA      GLY  76 -17.327  18.565  -9.506
  Start of MODEL   16
    1    H1   MET   1           1HT      MET   1   4.983 -12.114   1.311
    2    H2   MET   1           2HT      MET   1   4.439 -13.710   1.020
    3    H3   MET   1           3HT      MET   1   5.808 -13.437   2.017
    4    HA   MET   1           HA       MET   1   3.861 -13.990   3.257
    5    HB2  MET   1           2HB      MET   1   4.002 -12.053   4.827
    6    HB3  MET   1           1HB      MET   1   5.570 -12.632   4.309
    7    HG2  MET   1           2HG      MET   1   5.735 -10.766   2.730
    8    HG3  MET   1           1HG      MET   1   4.154 -10.194   3.259
    9    HE1  MET   1           2HE      MET   1   5.226  -7.567   5.522
   10    HE2  MET   1           3HE      MET   1   4.108  -8.240   4.337
   11    HE3  MET   1           1HE      MET   1   5.691  -7.657   3.823
   12    H    GLN   2           H        GLN   2   1.746 -13.415   4.019
   13    HA   GLN   2           HA       GLN   2   0.109 -11.977   2.037
   14    HB2  GLN   2           2HB      GLN   2  -0.639 -13.795   4.335
   15    HB3  GLN   2           1HB      GLN   2  -1.797 -13.011   3.270
   16    HG2  GLN   2           2HG      GLN   2  -0.813 -14.204   1.357
   17    HG3  GLN   2           1HG      GLN   2   0.289 -15.026   2.462
   18   HE21  GLN   2          1HE2      GLN   2  -2.447 -15.501   0.743
   19   HE22  GLN   2          2HE2      GLN   2  -3.234 -16.656   1.757
   20    H    ILE   3           H        ILE   3  -1.148 -10.214   2.509
   21    HA   ILE   3           HA       ILE   3  -1.107  -9.101   5.228
   22    HB   ILE   3           HB       ILE   3  -0.778  -6.837   4.377
   23   HG12  ILE   3          2HG1      ILE   3   0.104  -7.995   1.720
   24   HG13  ILE   3          1HG1      ILE   3  -1.540  -7.414   1.964
   25   HG21  ILE   3          1HG2      ILE   3   1.383  -8.841   3.768
   26   HG22  ILE   3          2HG2      ILE   3   1.124  -7.929   5.257
   27   HG23  ILE   3          3HG2      ILE   3   1.654  -7.097   3.796
   28   HD11  ILE   3          3HD1      ILE   3   0.836  -5.688   2.532
   29   HD12  ILE   3          1HD1      ILE   3  -0.838  -5.212   2.261
   30   HD13  ILE   3          2HD1      ILE   3   0.134  -5.817   0.919
   31    H    PHE   4           H        PHE   4  -2.969  -7.386   5.497
   32    HA   PHE   4           HA       PHE   4  -5.238  -8.021   3.718
   33    HB2  PHE   4           2HB      PHE   4  -5.237  -7.594   6.717
   34    HB3  PHE   4           1HB      PHE   4  -6.670  -7.796   5.732
   35    HD1  PHE   4           1HD      PHE   4  -7.174  -9.966   4.681
   36    HD2  PHE   4           2HD      PHE   4  -3.890  -9.486   7.350
   37    HE1  PHE   4           1HE      PHE   4  -7.037 -12.408   4.949
   38    HE2  PHE   4           2HE      PHE   4  -3.750 -11.926   7.621
   39    HZ   PHE   4           HZ       PHE   4  -5.324 -13.391   6.420
   40    H    VAL   5           H        VAL   5  -6.499  -6.302   3.031
   41    HA   VAL   5           HA       VAL   5  -5.818  -3.602   4.074
   42    HB   VAL   5           HB       VAL   5  -6.691  -4.206   1.227
   43   HG11  VAL   5          1HG1      VAL   5  -5.642  -1.625   2.422
   44   HG12  VAL   5          2HG1      VAL   5  -7.341  -1.954   2.094
   45   HG13  VAL   5          3HG1      VAL   5  -6.189  -1.871   0.763
   46   HG21  VAL   5          3HG2      VAL   5  -4.447  -5.031   1.499
   47   HG22  VAL   5          1HG2      VAL   5  -3.955  -3.563   2.347
   48   HG23  VAL   5          2HG2      VAL   5  -4.362  -3.500   0.629
   49    H    LYS   6           H        LYS   6  -7.527  -2.572   5.020
   50    HA   LYS   6           HA       LYS   6 -10.243  -3.640   4.619
   51    HB2  LYS   6           2HB      LYS   6  -8.830  -3.082   6.966
   52    HB3  LYS   6           1HB      LYS   6  -9.891  -1.690   6.827
   53    HG2  LYS   6           2HG      LYS   6 -11.817  -2.977   7.030
   54    HG3  LYS   6           1HG      LYS   6 -10.994  -4.461   6.559
   55    HD2  LYS   6           2HD      LYS   6 -11.410  -4.632   8.884
   56    HD3  LYS   6           1HD      LYS   6  -9.692  -4.292   8.712
   57    HE2  LYS   6           2HE      LYS   6 -10.081  -1.948   9.237
   58    HE3  LYS   6           1HE      LYS   6 -11.818  -2.241   9.335
   59    HZ1  LYS   6           3HZ      LYS   6 -10.836  -2.185  11.528
   60    HZ2  LYS   6           1HZ      LYS   6  -9.748  -3.414  11.114
   61    HZ3  LYS   6           2HZ      LYS   6 -11.405  -3.744  11.198
   62    H    THR   7           H        THR   7 -11.886  -2.387   3.801
   63    HA   THR   7           HA       THR   7 -11.168   0.301   2.869
   64    HB   THR   7           HB       THR   7 -12.856   0.099   1.191
   65    HG1  THR   7           1HG      THR   7 -14.479  -1.286   1.262
   66   HG21  THR   7          3HG2      THR   7 -12.234  -1.761  -0.108
   67   HG22  THR   7          1HG2      THR   7 -11.692  -2.659   1.309
   68   HG23  THR   7          2HG2      THR   7 -10.799  -1.237   0.771
   69    H    LEU   8           H        LEU   8 -12.835   2.013   2.874
   70    HA   LEU   8           HA       LEU   8 -13.877   2.366   5.472
   71    HB2  LEU   8           2HB      LEU   8 -14.609   3.896   2.984
   72    HB3  LEU   8           1HB      LEU   8 -14.962   4.410   4.624
   73    HG   LEU   8           HG       LEU   8 -12.170   3.919   3.631
   74   HD11  LEU   8          1HD1      LEU   8 -11.928   6.304   3.330
   75   HD12  LEU   8          2HD1      LEU   8 -13.604   6.562   3.812
   76   HD13  LEU   8          3HD1      LEU   8 -13.239   5.705   2.315
   77   HD21  LEU   8          3HD2      LEU   8 -11.526   5.255   5.576
   78   HD22  LEU   8          1HD2      LEU   8 -12.451   3.832   6.055
   79   HD23  LEU   8          2HD2      LEU   8 -13.223   5.417   6.027
   80    H    THR   9           H        THR   9 -15.334   0.562   3.023
   81    HA   THR   9           HA       THR   9 -18.098   0.971   3.971
   82    HB   THR   9           HB       THR   9 -18.839  -0.256   1.988
   83    HG1  THR   9           1HG      THR   9 -17.494  -1.302   0.709
   84   HG21  THR   9          3HG2      THR   9 -16.901   1.969   1.502
   85   HG22  THR   9          1HG2      THR   9 -18.660   1.967   1.363
   86   HG23  THR   9          2HG2      THR   9 -17.678   1.138   0.154
   87    H    GLY  10           H        GLY  10 -15.545  -1.268   4.524
   88    HA2  GLY  10           2HA      GLY  10 -15.956  -2.804   6.357
   89    HA3  GLY  10           1HA      GLY  10 -17.509  -3.181   5.654
   90    H    LYS  11           H        LYS  11 -14.892  -2.935   3.406
   91    HA   LYS  11           HA       LYS  11 -14.998  -5.837   3.091
   92    HB2  LYS  11           2HB      LYS  11 -15.482  -4.215   1.175
   93    HB3  LYS  11           1HB      LYS  11 -13.747  -3.969   1.082
   94    HG2  LYS  11           2HG      LYS  11 -13.409  -6.317   0.603
   95    HG3  LYS  11           1HG      LYS  11 -15.136  -6.627   0.800
   96    HD2  LYS  11           2HD      LYS  11 -15.584  -5.060  -1.072
   97    HD3  LYS  11           1HD      LYS  11 -13.843  -4.884  -1.298
   98    HE2  LYS  11           2HE      LYS  11 -14.530  -6.480  -2.887
   99    HE3  LYS  11           1HE      LYS  11 -13.765  -7.401  -1.593
  100    HZ1  LYS  11           3HZ      LYS  11 -15.787  -8.476  -2.250
  101    HZ2  LYS  11           1HZ      LYS  11 -16.682  -7.056  -2.033
  102    HZ3  LYS  11           2HZ      LYS  11 -16.004  -7.841  -0.697
  103    H    THR  12           H        THR  12 -13.222  -7.207   3.190
  104    HA   THR  12           HA       THR  12 -10.585  -5.989   3.761
  105    HB   THR  12           HB       THR  12 -11.536  -8.731   4.650
  106    HG1  THR  12           1HG      THR  12 -12.720  -7.457   5.903
  107   HG21  THR  12          3HG2      THR  12  -9.676  -8.776   6.131
  108   HG22  THR  12          1HG2      THR  12  -9.266  -7.097   5.771
  109   HG23  THR  12          2HG2      THR  12  -9.050  -8.342   4.540
  110    H    ILE  13           H        ILE  13  -9.083  -6.341   2.226
  111    HA   ILE  13           HA       ILE  13  -9.489  -8.552   0.295
  112    HB   ILE  13           HB       ILE  13  -7.585  -6.247  -0.232
  113   HG12  ILE  13          2HG1      ILE  13 -10.460  -6.221  -1.184
  114   HG13  ILE  13          1HG1      ILE  13  -9.921  -5.328   0.232
  115   HG21  ILE  13          1HG2      ILE  13  -7.562  -8.372  -1.575
  116   HG22  ILE  13          2HG2      ILE  13  -7.782  -6.892  -2.510
  117   HG23  ILE  13          3HG2      ILE  13  -9.165  -7.932  -2.166
  118   HD11  ILE  13          3HD1      ILE  13 -10.057  -3.927  -1.768
  119   HD12  ILE  13          1HD1      ILE  13  -8.855  -4.950  -2.555
  120   HD13  ILE  13          2HD1      ILE  13  -8.417  -4.014  -1.125
  121    H    THR  14           H        THR  14  -7.838 -10.068   0.000
  122    HA   THR  14           HA       THR  14  -5.547  -9.883   1.844
  123    HB   THR  14           HB       THR  14  -6.474 -12.359   0.370
  124    HG1  THR  14           1HG      THR  14  -8.203 -12.093   1.575
  125   HG21  THR  14          3HG2      THR  14  -5.372 -13.573   2.123
  126   HG22  THR  14          1HG2      THR  14  -4.979 -12.075   2.966
  127   HG23  THR  14          2HG2      THR  14  -4.237 -12.429   1.406
  128    H    LEU  15           H        LEU  15  -3.527  -9.644   1.031
  129    HA   LEU  15           HA       LEU  15  -3.166 -10.019  -1.883
  130    HB2  LEU  15           2HB      LEU  15  -1.947  -7.833  -0.193
  131    HB3  LEU  15           1HB      LEU  15  -1.664  -8.078  -1.905
  132    HG   LEU  15           HG       LEU  15  -4.377  -7.435  -0.742
  133   HD11  LEU  15          1HD1      LEU  15  -2.373  -5.573  -2.010
  134   HD12  LEU  15          2HD1      LEU  15  -2.833  -5.598  -0.307
  135   HD13  LEU  15          3HD1      LEU  15  -4.021  -5.157  -1.535
  136   HD21  LEU  15          3HD2      LEU  15  -4.339  -8.580  -2.941
  137   HD22  LEU  15          1HD2      LEU  15  -3.358  -7.260  -3.576
  138   HD23  LEU  15          2HD2      LEU  15  -5.001  -6.948  -3.018
  139    H    GLU  16           H        GLU  16  -1.212 -10.859  -2.583
  140    HA   GLU  16           HA       GLU  16   0.553 -12.008  -0.515
  141    HB2  GLU  16           2HB      GLU  16  -0.423 -13.495  -2.353
  142    HB3  GLU  16           1HB      GLU  16   0.582 -12.610  -3.490
  143    HG2  GLU  16           2HG      GLU  16   1.774 -14.557  -2.988
  144    HG3  GLU  16           1HG      GLU  16   2.556 -13.280  -2.061
  145    H    VAL  17           H        VAL  17   2.424 -10.887  -0.122
  146    HA   VAL  17           HA       VAL  17   3.608  -9.222  -2.259
  147    HB   VAL  17           HB       VAL  17   3.980  -7.397  -0.599
  148   HG11  VAL  17          1HG1      VAL  17   2.198  -7.116  -2.141
  149   HG12  VAL  17          2HG1      VAL  17   1.593  -6.611  -0.565
  150   HG13  VAL  17          3HG1      VAL  17   1.142  -8.185  -1.219
  151   HG21  VAL  17          3HG2      VAL  17   3.734  -8.786   1.466
  152   HG22  VAL  17          1HG2      VAL  17   2.000  -8.871   1.156
  153   HG23  VAL  17          2HG2      VAL  17   2.761  -7.316   1.491
  154    H    GLU  18           H        GLU  18   5.828  -8.419  -1.638
  155    HA   GLU  18           HA       GLU  18   7.286 -10.300   0.133
  156    HB2  GLU  18           2HB      GLU  18   8.238  -8.941  -2.419
  157    HB3  GLU  18           1HB      GLU  18   9.280  -9.823  -1.321
  158    HG2  GLU  18           2HG      GLU  18   8.799 -11.334  -3.046
  159    HG3  GLU  18           1HG      GLU  18   7.701 -11.801  -1.710
  160    HA   PRO  19           HA       PRO  19   8.180  -6.707   2.595
  161    HB2  PRO  19           2HB      PRO  19  10.996  -7.560   2.969
  162    HB3  PRO  19           1HB      PRO  19   9.728  -7.224   4.158
  163    HG2  PRO  19           2HG      PRO  19  10.480  -9.744   3.583
  164    HG3  PRO  19           1HG      PRO  19   8.801  -9.330   3.967
  165    HD2  PRO  19           2HD      PRO  19  10.039  -9.872   1.278
  166    HD3  PRO  19           1HD      PRO  19   8.444 -10.350   1.913
  167    H    SER  20           H        SER  20  10.411  -7.411  -0.055
  168    HA   SER  20           HA       SER  20  11.561  -4.751  -0.099
  169    HB2  SER  20           2HB      SER  20  12.619  -5.598  -2.245
  170    HB3  SER  20           1HB      SER  20  13.014  -6.501  -0.783
  171    HG   SER  20           HG       SER  20  11.245  -7.210  -2.869
  172    H    ASP  21           H        ASP  21   8.484  -5.764  -1.023
  173    HA   ASP  21           HA       ASP  21   8.256  -4.539  -3.602
  174    HB2  ASP  21           2HB      ASP  21   6.262  -5.528  -1.566
  175    HB3  ASP  21           1HB      ASP  21   5.725  -4.625  -2.974
  176    H    THR  22           H        THR  22   7.499  -2.482  -4.092
  177    HA   THR  22           HA       THR  22   7.717  -0.437  -2.033
  178    HB   THR  22           HB       THR  22   7.517   1.158  -3.862
  179    HG1  THR  22           1HG      THR  22   7.052   0.553  -5.891
  180   HG21  THR  22          3HG2      THR  22   9.742   0.577  -3.659
  181   HG22  THR  22          1HG2      THR  22   9.407   0.304  -5.369
  182   HG23  THR  22          2HG2      THR  22   9.475  -1.062  -4.254
  183    H    ILE  23           H        ILE  23   6.071   1.221  -1.713
  184    HA   ILE  23           HA       ILE  23   3.430   0.238  -1.307
  185    HB   ILE  23           HB       ILE  23   4.483   3.062  -1.392
  186   HG12  ILE  23          2HG1      ILE  23   5.507   1.699   0.326
  187   HG13  ILE  23          1HG1      ILE  23   4.480   2.917   1.062
  188   HG21  ILE  23          1HG2      ILE  23   1.810   2.157  -0.340
  189   HG22  ILE  23          2HG2      ILE  23   2.082   3.165  -1.761
  190   HG23  ILE  23          3HG2      ILE  23   2.490   3.774  -0.155
  191   HD11  ILE  23          3HD1      ILE  23   4.145   0.940   2.291
  192   HD12  ILE  23          1HD1      ILE  23   3.960  -0.032   0.831
  193   HD13  ILE  23          2HD1      ILE  23   2.712   1.129   1.281
  194    H    GLU  24           H        GLU  24   4.784   2.182  -4.014
  195    HA   GLU  24           HA       GLU  24   2.389   2.602  -5.493
  196    HB2  GLU  24           2HB      GLU  24   4.674   3.616  -5.995
  197    HB3  GLU  24           1HB      GLU  24   5.126   2.063  -6.687
  198    HG2  GLU  24           2HG      GLU  24   3.461   2.291  -8.407
  199    HG3  GLU  24           1HG      GLU  24   2.821   3.749  -7.648
  200    H    ASN  25           H        ASN  25   4.549  -0.235  -5.326
  201    HA   ASN  25           HA       ASN  25   3.205  -1.725  -7.406
  202    HB2  ASN  25           2HB      ASN  25   5.589  -2.143  -6.448
  203    HB3  ASN  25           1HB      ASN  25   4.764  -3.003  -5.153
  204   HD21  ASN  25          1HD2      ASN  25   3.941  -5.055  -5.538
  205   HD22  ASN  25          2HD2      ASN  25   4.147  -5.873  -7.045
  206    H    VAL  26           H        VAL  26   2.796  -1.573  -3.879
  207    HA   VAL  26           HA       VAL  26   0.789  -3.630  -3.703
  208    HB   VAL  26           HB       VAL  26   1.309  -1.253  -1.869
  209   HG11  VAL  26          1HG1      VAL  26   0.061  -2.506  -0.150
  210   HG12  VAL  26          2HG1      VAL  26  -0.375  -3.714  -1.359
  211   HG13  VAL  26          3HG1      VAL  26  -0.967  -2.060  -1.512
  212   HG21  VAL  26          3HG2      VAL  26   2.069  -4.127  -1.432
  213   HG22  VAL  26          1HG2      VAL  26   2.575  -2.710  -0.513
  214   HG23  VAL  26          2HG2      VAL  26   3.150  -2.938  -2.163
  215    H    LYS  27           H        LYS  27   0.546  -0.094  -4.286
  216    HA   LYS  27           HA       LYS  27  -2.286   0.025  -4.369
  217    HB2  LYS  27           2HB      LYS  27  -0.257   1.694  -5.893
  218    HB3  LYS  27           1HB      LYS  27  -1.970   2.060  -5.803
  219    HG2  LYS  27           2HG      LYS  27  -1.327   2.027  -3.140
  220    HG3  LYS  27           1HG      LYS  27   0.197   2.607  -3.869
  221    HD2  LYS  27           2HD      LYS  27  -1.300   4.239  -5.150
  222    HD3  LYS  27           1HD      LYS  27  -2.522   3.836  -3.943
  223    HE2  LYS  27           2HE      LYS  27   0.260   4.768  -3.237
  224    HE3  LYS  27           1HE      LYS  27  -1.102   5.870  -3.451
  225    HZ1  LYS  27           3HZ      LYS  27  -2.247   4.841  -1.647
  226    HZ2  LYS  27           1HZ      LYS  27  -0.685   5.218  -1.115
  227    HZ3  LYS  27           2HZ      LYS  27  -1.082   3.624  -1.513
  228    H    ALA  28           H        ALA  28   0.114  -0.741  -6.909
  229    HA   ALA  28           HA       ALA  28  -1.685  -0.814  -9.092
  230    HB1  ALA  28           1HB      ALA  28   0.874  -2.385  -8.781
  231    HB2  ALA  28           2HB      ALA  28   0.732  -0.754  -9.434
  232    HB3  ALA  28           3HB      ALA  28   0.006  -2.113 -10.292
  233    H    LYS  29           H        LYS  29  -0.759  -3.320  -6.741
  234    HA   LYS  29           HA       LYS  29  -2.214  -5.526  -7.925
  235    HB2  LYS  29           2HB      LYS  29  -1.280  -5.020  -5.088
  236    HB3  LYS  29           1HB      LYS  29  -2.075  -6.502  -5.598
  237    HG2  LYS  29           2HG      LYS  29  -0.267  -7.057  -7.055
  238    HG3  LYS  29           1HG      LYS  29   0.489  -5.482  -6.798
  239    HD2  LYS  29           2HD      LYS  29   1.050  -6.005  -4.560
  240    HD3  LYS  29           1HD      LYS  29  -0.013  -7.412  -4.540
  241    HE2  LYS  29           2HE      LYS  29   1.437  -8.644  -5.943
  242    HE3  LYS  29           1HE      LYS  29   2.371  -7.211  -6.366
  243    HZ1  LYS  29           3HZ      LYS  29   2.263  -8.522  -3.710
  244    HZ2  LYS  29           1HZ      LYS  29   3.112  -7.099  -4.049
  245    HZ3  LYS  29           2HZ      LYS  29   3.566  -8.550  -4.787
  246    H    ILE  30           H        ILE  30  -3.117  -2.999  -5.574
  247    HA   ILE  30           HA       ILE  30  -5.757  -4.060  -5.071
  248    HB   ILE  30           HB       ILE  30  -4.586  -1.298  -4.606
  249   HG12  ILE  30          2HG1      ILE  30  -5.345  -3.560  -2.740
  250   HG13  ILE  30          1HG1      ILE  30  -3.712  -3.183  -3.267
  251   HG21  ILE  30          1HG2      ILE  30  -7.366  -2.307  -3.957
  252   HG22  ILE  30          2HG2      ILE  30  -6.927  -0.863  -4.868
  253   HG23  ILE  30          3HG2      ILE  30  -6.630  -0.933  -3.131
  254   HD11  ILE  30          3HD1      ILE  30  -5.414  -1.878  -1.238
  255   HD12  ILE  30          1HD1      ILE  30  -4.344  -0.834  -2.176
  256   HD13  ILE  30          2HD1      ILE  30  -3.675  -2.176  -1.247
  257    H    GLN  31           H        GLN  31  -4.482  -1.700  -7.459
  258    HA   GLN  31           HA       GLN  31  -6.947  -0.915  -8.669
  259    HB2  GLN  31           2HB      GLN  31  -4.757   0.193  -9.124
  260    HB3  GLN  31           1HB      GLN  31  -4.198  -1.265  -9.929
  261    HG2  GLN  31           2HG      GLN  31  -6.170  -0.864 -11.544
  262    HG3  GLN  31           1HG      GLN  31  -6.238   0.748 -10.835
  263   HE21  GLN  31          1HE2      GLN  31  -5.479  -0.329 -13.595
  264   HE22  GLN  31          2HE2      GLN  31  -3.956   0.420 -13.914
  265    H    ASP  32           H        ASP  32  -4.773  -3.653  -9.330
  266    HA   ASP  32           HA       ASP  32  -6.186  -4.736 -11.555
  267    HB2  ASP  32           2HB      ASP  32  -4.530  -6.273  -9.542
  268    HB3  ASP  32           1HB      ASP  32  -4.941  -6.805 -11.176
  269    H    LYS  33           H        LYS  33  -6.525  -5.416  -8.069
  270    HA   LYS  33           HA       LYS  33  -8.536  -7.457  -8.485
  271    HB2  LYS  33           2HB      LYS  33  -7.809  -6.031  -5.922
  272    HB3  LYS  33           1HB      LYS  33  -8.663  -7.553  -6.045
  273    HG2  LYS  33           2HG      LYS  33  -6.191  -7.938  -7.381
  274    HG3  LYS  33           1HG      LYS  33  -5.825  -7.044  -5.909
  275    HD2  LYS  33           2HD      LYS  33  -6.946  -8.750  -4.576
  276    HD3  LYS  33           1HD      LYS  33  -7.380  -9.628  -6.045
  277    HE2  LYS  33           2HE      LYS  33  -5.077 -10.082  -6.525
  278    HE3  LYS  33           1HE      LYS  33  -4.545  -9.031  -5.215
  279    HZ1  LYS  33           3HZ      LYS  33  -5.451 -10.537  -3.618
  280    HZ2  LYS  33           1HZ      LYS  33  -4.465 -11.425  -4.668
  281    HZ3  LYS  33           2HZ      LYS  33  -6.149 -11.497  -4.822
  282    H    GLU  34           H        GLU  34  -8.699  -4.063  -7.375
  283    HA   GLU  34           HA       GLU  34 -11.650  -4.285  -7.358
  284    HB2  GLU  34           2HB      GLU  34  -9.770  -2.600  -5.737
  285    HB3  GLU  34           1HB      GLU  34 -11.517  -2.376  -5.733
  286    HG2  GLU  34           2HG      GLU  34 -10.279  -5.039  -5.208
  287    HG3  GLU  34           1HG      GLU  34 -10.440  -3.845  -3.890
  288    H    GLY  35           H        GLY  35  -9.283  -2.758  -9.278
  289    HA2  GLY  35           2HA      GLY  35  -9.589  -1.353 -11.045
  290    HA3  GLY  35           1HA      GLY  35 -11.286  -1.267 -10.646
  291    H    ILE  36           H        ILE  36  -9.259  -0.296  -8.044
  292    HA   ILE  36           HA       ILE  36 -10.079   2.485  -8.336
  293    HB   ILE  36           HB       ILE  36  -8.345   1.287  -6.151
  294   HG12  ILE  36          2HG1      ILE  36 -11.298   1.744  -5.735
  295   HG13  ILE  36          1HG1      ILE  36 -10.770   0.259  -6.511
  296   HG21  ILE  36          1HG2      ILE  36  -8.969   3.182  -4.820
  297   HG22  ILE  36          2HG2      ILE  36 -10.135   3.718  -6.029
  298   HG23  ILE  36          3HG2      ILE  36  -8.409   3.789  -6.380
  299   HD11  ILE  36          3HD1      ILE  36 -10.951  -0.301  -4.273
  300   HD12  ILE  36          1HD1      ILE  36 -10.214   1.208  -3.736
  301   HD13  ILE  36          2HD1      ILE  36  -9.223  -0.032  -4.503
  302    HA   PRO  37           HA       PRO  37  -6.075   3.341 -10.369
  303    HB2  PRO  37           2HB      PRO  37  -6.753   6.225 -10.062
  304    HB3  PRO  37           1HB      PRO  37  -6.433   5.302 -11.535
  305    HG2  PRO  37           2HG      PRO  37  -8.896   6.135 -10.911
  306    HG3  PRO  37           1HG      PRO  37  -8.617   4.579 -11.711
  307    HD2  PRO  37           2HD      PRO  37  -9.177   5.138  -8.812
  308    HD3  PRO  37           1HD      PRO  37  -9.850   3.881  -9.870
  309    HA   PRO  38           HA       PRO  38  -3.506   3.993  -6.793
  310    HB2  PRO  38           2HB      PRO  38  -1.430   5.160  -8.632
  311    HB3  PRO  38           1HB      PRO  38  -1.287   3.808  -7.502
  312    HG2  PRO  38           2HG      PRO  38  -1.436   3.378 -10.114
  313    HG3  PRO  38           1HG      PRO  38  -2.267   2.308  -8.970
  314    HD2  PRO  38           2HD      PRO  38  -3.393   4.502 -10.678
  315    HD3  PRO  38           1HD      PRO  38  -4.053   2.891 -10.331
  316    H    ASP  39           H        ASP  39  -3.829   6.748  -9.019
  317    HA   ASP  39           HA       ASP  39  -2.793   8.647  -7.207
  318    HB2  ASP  39           2HB      ASP  39  -3.071   8.918  -9.730
  319    HB3  ASP  39           1HB      ASP  39  -4.755   9.310  -9.405
  320    H    GLN  40           H        GLN  40  -5.905   7.091  -7.220
  321    HA   GLN  40           HA       GLN  40  -7.128   9.195  -5.575
  322    HB2  GLN  40           2HB      GLN  40  -8.304   6.749  -6.905
  323    HB3  GLN  40           1HB      GLN  40  -9.209   7.831  -5.860
  324    HG2  GLN  40           2HG      GLN  40  -8.510   9.683  -7.465
  325    HG3  GLN  40           1HG      GLN  40  -8.019   8.382  -8.549
  326   HE21  GLN  40          1HE2      GLN  40  -9.526   8.316 -10.139
  327   HE22  GLN  40          2HE2      GLN  40 -11.231   8.260  -9.868
  328    H    GLN  41           H        GLN  41  -5.247   6.469  -5.032
  329    HA   GLN  41           HA       GLN  41  -6.721   5.503  -2.667
  330    HB2  GLN  41           2HB      GLN  41  -4.505   4.395  -4.361
  331    HB3  GLN  41           1HB      GLN  41  -4.886   3.697  -2.791
  332    HG2  GLN  41           2HG      GLN  41  -7.245   3.427  -3.618
  333    HG3  GLN  41           1HG      GLN  41  -6.646   3.864  -5.217
  334   HE21  GLN  41          1HE2      GLN  41  -6.020   2.207  -6.494
  335   HE22  GLN  41          2HE2      GLN  41  -5.560   0.642  -5.926
  336    H    ARG  42           H        ARG  42  -6.038   5.772  -0.594
  337    HA   ARG  42           HA       ARG  42  -3.308   6.736  -0.121
  338    HB2  ARG  42           2HB      ARG  42  -5.779   7.488   1.476
  339    HB3  ARG  42           1HB      ARG  42  -4.135   7.979   1.859
  340    HG2  ARG  42           2HG      ARG  42  -4.047   9.208  -0.282
  341    HG3  ARG  42           1HG      ARG  42  -5.737   8.780  -0.558
  342    HD2  ARG  42           2HD      ARG  42  -6.447  10.023   1.341
  343    HD3  ARG  42           1HD      ARG  42  -4.790  10.244   1.895
  344    HE   ARG  42           HE       ARG  42  -5.366  11.390  -0.702
  345   HH11  ARG  42          1HH1      ARG  42  -5.291  12.089   2.782
  346   HH12  ARG  42          2HH1      ARG  42  -5.154  13.793   2.528
  347   HH21  ARG  42          1HH2      ARG  42  -5.188  13.623  -0.955
  348   HH22  ARG  42          2HH2      ARG  42  -5.093  14.656   0.431
  349    H    LEU  43           H        LEU  43  -2.147   5.385   1.224
  350    HA   LEU  43           HA       LEU  43  -3.647   3.251   2.621
  351    HB2  LEU  43           2HB      LEU  43  -0.825   3.298   1.529
  352    HB3  LEU  43           1HB      LEU  43  -1.520   2.005   2.494
  353    HG   LEU  43           HG       LEU  43  -2.618   2.853  -0.190
  354   HD11  LEU  43          1HD1      LEU  43  -0.850   0.488   0.419
  355   HD12  LEU  43          2HD1      LEU  43  -0.299   1.979  -0.344
  356   HD13  LEU  43          3HD1      LEU  43  -1.494   0.964  -1.152
  357   HD21  LEU  43          3HD2      LEU  43  -4.266   1.740   1.164
  358   HD22  LEU  43          1HD2      LEU  43  -3.126   0.461   1.579
  359   HD23  LEU  43          2HD2      LEU  43  -3.708   0.620  -0.078
  360    H    ILE  44           H        ILE  44  -3.536   3.058   4.770
  361    HA   ILE  44           HA       ILE  44  -1.536   4.630   6.286
  362    HB   ILE  44           HB       ILE  44  -4.514   4.364   6.675
  363   HG12  ILE  44          2HG1      ILE  44  -3.879   6.940   7.278
  364   HG13  ILE  44          1HG1      ILE  44  -2.570   6.588   6.173
  365   HG21  ILE  44          1HG2      ILE  44  -4.244   5.494   8.908
  366   HG22  ILE  44          2HG2      ILE  44  -2.528   5.098   8.833
  367   HG23  ILE  44          3HG2      ILE  44  -3.729   3.808   8.867
  368   HD11  ILE  44          3HD1      ILE  44  -5.241   5.819   5.210
  369   HD12  ILE  44          1HD1      ILE  44  -3.884   6.584   4.378
  370   HD13  ILE  44          2HD1      ILE  44  -4.941   7.546   5.409
  371    H    PHE  45           H        PHE  45  -0.467   3.618   7.876
  372    HA   PHE  45           HA       PHE  45  -1.409   1.021   8.884
  373    HB2  PHE  45           2HB      PHE  45   0.319   0.570   7.150
  374    HB3  PHE  45           1HB      PHE  45   1.454   1.587   8.025
  375    HD1  PHE  45           1HD      PHE  45  -0.785  -1.338   8.675
  376    HD2  PHE  45           2HD      PHE  45   2.999   0.485   9.379
  377    HE1  PHE  45           1HE      PHE  45  -0.092  -3.291   9.999
  378    HE2  PHE  45           2HE      PHE  45   3.697  -1.469  10.699
  379    HZ   PHE  45           HZ       PHE  45   2.150  -3.358  11.014
  380    H    ALA  46           H        ALA  46  -1.457   1.093  11.134
  381    HA   ALA  46           HA       ALA  46  -1.268   1.951  13.249
  382    HB1  ALA  46           1HB      ALA  46   1.152   2.311  13.952
  383    HB2  ALA  46           2HB      ALA  46   1.579   1.902  12.291
  384    HB3  ALA  46           3HB      ALA  46   0.734   0.726  13.299
  385    H    GLY  47           H        GLY  47  -2.306   3.888  11.634
  386    HA2  GLY  47           2HA      GLY  47  -2.861   6.099  11.759
  387    HA3  GLY  47           1HA      GLY  47  -1.698   6.275  13.050
  388    H    LYS  48           H        LYS  48   0.003   5.087  10.372
  389    HA   LYS  48           HA       LYS  48   0.821   7.821   9.587
  390    HB2  LYS  48           2HB      LYS  48   2.462   5.322   9.229
  391    HB3  LYS  48           1HB      LYS  48   3.018   6.975   9.102
  392    HG2  LYS  48           2HG      LYS  48   2.722   7.291  11.502
  393    HG3  LYS  48           1HG      LYS  48   2.112   5.644  11.653
  394    HD2  LYS  48           2HD      LYS  48   4.837   6.246  10.520
  395    HD3  LYS  48           1HD      LYS  48   4.565   6.055  12.252
  396    HE2  LYS  48           2HE      LYS  48   3.714   3.967  10.260
  397    HE3  LYS  48           1HE      LYS  48   5.334   3.999  10.954
  398    HZ1  LYS  48           3HZ      LYS  48   3.831   2.531  12.173
  399    HZ2  LYS  48           1HZ      LYS  48   2.813   3.838  12.517
  400    HZ3  LYS  48           2HZ      LYS  48   4.382   3.798  13.148
  401    H    GLN  49           H        GLN  49   0.847   8.478   7.466
  402    HA   GLN  49           HA       GLN  49  -0.469   6.784   5.499
  403    HB2  GLN  49           2HB      GLN  49  -0.640   9.381   5.806
  404    HB3  GLN  49           1HB      GLN  49   0.826   9.434   4.838
  405    HG2  GLN  49           2HG      GLN  49  -0.364   8.161   3.067
  406    HG3  GLN  49           1HG      GLN  49  -1.836   8.283   4.029
  407   HE21  GLN  49          1HE2      GLN  49  -2.156  10.737   4.818
  408   HE22  GLN  49          2HE2      GLN  49  -2.064  11.877   3.524
  409    H    LEU  50           H        LEU  50   0.607   5.503   4.007
  410    HA   LEU  50           HA       LEU  50   3.505   5.343   4.133
  411    HB2  LEU  50           2HB      LEU  50   1.670   3.693   2.401
  412    HB3  LEU  50           1HB      LEU  50   3.317   3.334   2.860
  413    HG   LEU  50           HG       LEU  50   0.976   3.429   4.760
  414   HD11  LEU  50          1HD1      LEU  50   1.131   0.994   4.811
  415   HD12  LEU  50          2HD1      LEU  50   2.408   1.046   3.596
  416   HD13  LEU  50          3HD1      LEU  50   0.778   1.579   3.185
  417   HD21  LEU  50          3HD2      LEU  50   3.710   2.271   5.279
  418   HD22  LEU  50          1HD2      LEU  50   2.421   2.585   6.440
  419   HD23  LEU  50          2HD2      LEU  50   3.281   3.931   5.695
  420    H    GLU  51           H        GLU  51   4.969   5.960   2.567
  421    HA   GLU  51           HA       GLU  51   3.958   7.555   0.327
  422    HB2  GLU  51           2HB      GLU  51   6.734   7.154   1.460
  423    HB3  GLU  51           1HB      GLU  51   6.417   8.107   0.015
  424    HG2  GLU  51           2HG      GLU  51   5.317   9.768   1.170
  425    HG3  GLU  51           1HG      GLU  51   4.999   8.747   2.573
  426    H    ASP  52           H        ASP  52   4.312   7.211  -1.847
  427    HA   ASP  52           HA       ASP  52   4.354   4.546  -2.727
  428    HB2  ASP  52           2HB      ASP  52   4.674   7.110  -4.289
  429    HB3  ASP  52           1HB      ASP  52   4.501   5.518  -5.025
  430    H    GLY  53           H        GLY  53   7.064   6.776  -2.378
  431    HA2  GLY  53           2HA      GLY  53   8.843   5.126  -3.985
  432    HA3  GLY  53           1HA      GLY  53   9.278   6.565  -3.089
  433    H    ARG  54           H        ARG  54   7.692   4.623  -0.858
  434    HA   ARG  54           HA       ARG  54  10.254   3.480   0.104
  435    HB2  ARG  54           2HB      ARG  54   7.696   4.059   1.622
  436    HB3  ARG  54           1HB      ARG  54   9.139   3.350   2.316
  437    HG2  ARG  54           2HG      ARG  54   8.797   6.170   1.296
  438    HG3  ARG  54           1HG      ARG  54   9.022   5.637   2.949
  439    HD2  ARG  54           2HD      ARG  54  11.283   4.886   2.440
  440    HD3  ARG  54           1HD      ARG  54  11.078   5.359   0.754
  441    HE   ARG  54           HE       ARG  54  11.694   7.064   2.970
  442   HH11  ARG  54          1HH1      ARG  54  10.189   7.101  -0.245
  443   HH12  ARG  54          2HH1      ARG  54  10.456   8.797  -0.453
  444   HH21  ARG  54          1HH2      ARG  54  12.007   9.279   2.634
  445   HH22  ARG  54          2HH2      ARG  54  11.474  10.022   1.163
  446    H    THR  55           H        THR  55  10.092   1.392   1.326
  447    HA   THR  55           HA       THR  55   8.319  -0.512  -0.101
  448    HB   THR  55           HB       THR  55   9.882  -2.261   0.468
  449    HG1  THR  55           1HG      THR  55  10.886  -1.878   2.302
  450   HG21  THR  55          3HG2      THR  55  11.660  -0.048  -0.469
  451   HG22  THR  55          1HG2      THR  55  10.403  -0.731  -1.499
  452   HG23  THR  55          2HG2      THR  55  11.700  -1.760  -0.890
  453    H    LEU  56           H        LEU  56   7.634  -2.444   1.112
  454    HA   LEU  56           HA       LEU  56   6.141  -1.848   3.432
  455    HB2  LEU  56           2HB      LEU  56   7.049  -4.541   2.419
  456    HB3  LEU  56           1HB      LEU  56   5.823  -4.291   3.650
  457    HG   LEU  56           HG       LEU  56   5.604  -3.389   0.774
  458   HD11  LEU  56          1HD1      LEU  56   3.910  -5.199   0.624
  459   HD12  LEU  56          2HD1      LEU  56   4.433  -5.760   2.212
  460   HD13  LEU  56          3HD1      LEU  56   5.561  -5.777   0.855
  461   HD21  LEU  56          3HD2      LEU  56   3.153  -3.161   1.449
  462   HD22  LEU  56          1HD2      LEU  56   4.257  -1.942   2.083
  463   HD23  LEU  56          2HD2      LEU  56   3.711  -3.261   3.118
  464    H    SER  57           H        SER  57   9.383  -3.289   3.198
  465    HA   SER  57           HA       SER  57   9.608  -4.027   5.944
  466    HB2  SER  57           2HB      SER  57  11.099  -5.112   4.383
  467    HB3  SER  57           1HB      SER  57  11.754  -3.552   3.870
  468    HG   SER  57           HG       SER  57  12.889  -3.414   5.709
  469    H    ASP  58           H        ASP  58  10.241  -0.992   4.220
  470    HA   ASP  58           HA       ASP  58  11.778   0.316   6.206
  471    HB2  ASP  58           2HB      ASP  58   9.883   1.506   4.164
  472    HB3  ASP  58           1HB      ASP  58  10.997   2.445   5.144
  473    H    TYR  59           H        TYR  59   8.303  -0.228   6.016
  474    HA   TYR  59           HA       TYR  59   7.821   1.484   8.367
  475    HB2  TYR  59           2HB      TYR  59   5.963   0.162   6.368
  476    HB3  TYR  59           1HB      TYR  59   5.377   0.925   7.844
  477    HD1  TYR  59           1HD      TYR  59   5.753   3.370   8.197
  478    HD2  TYR  59           2HD      TYR  59   6.552   1.487   4.466
  479    HE1  TYR  59           1HE      TYR  59   5.744   5.566   7.094
  480    HE2  TYR  59           2HE      TYR  59   6.542   3.679   3.352
  481    HH   TYR  59           HH       TYR  59   5.275   6.390   4.618
  482    H    ASN  60           H        ASN  60   8.955  -1.539   8.122
  483    HA   ASN  60           HA       ASN  60   8.934  -3.439   9.305
  484    HB2  ASN  60           2HB      ASN  60   7.920  -1.502  11.387
  485    HB3  ASN  60           1HB      ASN  60   8.272  -3.184  11.768
  486   HD21  ASN  60          1HD2      ASN  60   9.626  -0.058  11.001
  487   HD22  ASN  60          2HD2      ASN  60  11.271  -0.492  11.297
  488    H    ILE  61           H        ILE  61   6.747  -3.240   7.556
  489    HA   ILE  61           HA       ILE  61   4.387  -4.214   8.961
  490    HB   ILE  61           HB       ILE  61   4.906  -3.944   5.976
  491   HG12  ILE  61          2HG1      ILE  61   3.137  -2.249   7.750
  492   HG13  ILE  61          1HG1      ILE  61   4.795  -1.814   7.369
  493   HG21  ILE  61          1HG2      ILE  61   2.315  -4.540   7.429
  494   HG22  ILE  61          2HG2      ILE  61   3.213  -5.666   6.411
  495   HG23  ILE  61          3HG2      ILE  61   2.470  -4.233   5.699
  496   HD11  ILE  61          3HD1      ILE  61   3.424  -0.574   5.914
  497   HD12  ILE  61          1HD1      ILE  61   2.461  -1.989   5.492
  498   HD13  ILE  61          2HD1      ILE  61   4.131  -1.864   4.940
  499    H    GLN  62           H        GLN  62   4.058  -6.293   9.462
  500    HA   GLN  62           HA       GLN  62   5.796  -8.398   8.306
  501    HB2  GLN  62           2HB      GLN  62   4.480  -8.075  11.007
  502    HB3  GLN  62           1HB      GLN  62   5.295  -9.549  10.498
  503    HG2  GLN  62           2HG      GLN  62   7.394  -8.466  10.401
  504    HG3  GLN  62           1HG      GLN  62   6.656  -6.873  10.567
  505   HE21  GLN  62          1HE2      GLN  62   6.120  -6.105  12.618
  506   HE22  GLN  62          2HE2      GLN  62   6.541  -6.955  14.064
  507    H    LYS  63           H        LYS  63   4.795 -10.672   8.528
  508    HA   LYS  63           HA       LYS  63   2.617 -10.940   6.862
  509    HB2  LYS  63           2HB      LYS  63   2.378 -13.281   7.645
  510    HB3  LYS  63           1HB      LYS  63   4.034 -12.850   7.233
  511    HG2  LYS  63           2HG      LYS  63   4.508 -12.519   9.636
  512    HG3  LYS  63           1HG      LYS  63   2.883 -13.102  10.000
  513    HD2  LYS  63           2HD      LYS  63   3.373 -15.253   9.080
  514    HD3  LYS  63           1HD      LYS  63   4.911 -14.683   8.428
  515    HE2  LYS  63           2HE      LYS  63   5.728 -14.314  10.711
  516    HE3  LYS  63           1HE      LYS  63   4.197 -14.909  11.352
  517    HZ1  LYS  63           3HZ      LYS  63   6.004 -16.514   9.629
  518    HZ2  LYS  63           1HZ      LYS  63   4.634 -17.059  10.462
  519    HZ3  LYS  63           2HZ      LYS  63   6.011 -16.579  11.319
  520    H    GLU  64           H        GLU  64   0.400 -11.230   7.030
  521    HA   GLU  64           HA       GLU  64  -1.708 -11.039   7.815
  522    HB2  GLU  64           2HB      GLU  64  -0.579 -11.910  10.476
  523    HB3  GLU  64           1HB      GLU  64  -2.289 -11.774  10.091
  524    HG2  GLU  64           2HG      GLU  64  -1.753 -13.421   8.175
  525    HG3  GLU  64           1HG      GLU  64  -0.280 -13.758   9.088
  526    H    SER  65           H        SER  65   0.242  -8.641   8.173
  527    HA   SER  65           HA       SER  65  -1.035  -7.074  10.265
  528    HB2  SER  65           2HB      SER  65   0.894  -6.409   8.034
  529    HB3  SER  65           1HB      SER  65   0.214  -5.175   9.091
  530    HG   SER  65           HG       SER  65   1.818  -5.696  10.359
  531    H    THR  66           H        THR  66  -2.429  -5.255   9.911
  532    HA   THR  66           HA       THR  66  -4.097  -5.441   7.471
  533    HB   THR  66           HB       THR  66  -4.857  -4.336  10.181
  534    HG1  THR  66           1HG      THR  66  -5.502  -6.284  10.738
  535   HG21  THR  66          3HG2      THR  66  -7.174  -5.051   9.269
  536   HG22  THR  66          1HG2      THR  66  -6.398  -4.955   7.689
  537   HG23  THR  66          2HG2      THR  66  -6.471  -3.529   8.723
  538    H    LEU  67           H        LEU  67  -4.030  -3.743   6.109
  539    HA   LEU  67           HA       LEU  67  -3.071  -1.107   7.024
  540    HB2  LEU  67           2HB      LEU  67  -3.289  -2.072   4.161
  541    HB3  LEU  67           1HB      LEU  67  -2.523  -0.609   4.745
  542    HG   LEU  67           HG       LEU  67  -0.947  -2.364   6.019
  543   HD11  LEU  67          1HD1      LEU  67  -0.503  -4.308   4.575
  544   HD12  LEU  67          2HD1      LEU  67  -1.990  -3.943   3.699
  545   HD13  LEU  67          3HD1      LEU  67  -2.056  -4.366   5.409
  546   HD21  LEU  67          3HD2      LEU  67  -0.729  -1.604   3.117
  547   HD22  LEU  67          1HD2      LEU  67   0.581  -2.307   4.068
  548   HD23  LEU  67          2HD2      LEU  67  -0.079  -0.730   4.506
  549    H    HIS  68           H        HIS  68  -4.286   0.759   6.222
  550    HA   HIS  68           HA       HIS  68  -7.120   0.152   5.629
  551    HB2  HIS  68           2HB      HIS  68  -5.850   2.491   7.074
  552    HB3  HIS  68           1HB      HIS  68  -7.552   2.415   6.652
  553    HD1  HIS  68           1HD      HIS  68  -4.988   0.771   8.867
  554    HD2  HIS  68           2HD      HIS  68  -9.115   0.954   8.420
  555    HE1  HIS  68           1HE      HIS  68  -5.930  -0.364  10.897
  556    H    LEU  69           H        LEU  69  -8.050   0.983   3.811
  557    HA   LEU  69           HA       LEU  69  -6.391   2.730   2.087
  558    HB2  LEU  69           2HB      LEU  69  -7.059   0.491   1.196
  559    HB3  LEU  69           1HB      LEU  69  -8.737   0.951   1.379
  560    HG   LEU  69           HG       LEU  69  -8.318   2.782  -0.280
  561   HD11  LEU  69          1HD1      LEU  69  -6.330   2.619  -1.697
  562   HD12  LEU  69          2HD1      LEU  69  -5.694   1.356  -0.644
  563   HD13  LEU  69          3HD1      LEU  69  -5.914   2.992  -0.024
  564   HD21  LEU  69          3HD2      LEU  69  -7.815  -0.046  -1.177
  565   HD22  LEU  69          1HD2      LEU  69  -8.286   1.284  -2.235
  566   HD23  LEU  69          2HD2      LEU  69  -9.385   0.730  -0.972
  567    H    VAL  70           H        VAL  70  -7.087   4.793   1.695
  568    HA   VAL  70           HA       VAL  70  -9.858   5.536   2.265
  569    HB   VAL  70           HB       VAL  70  -7.236   6.847   2.888
  570   HG11  VAL  70          1HG1      VAL  70  -9.834   8.396   2.724
  571   HG12  VAL  70          2HG1      VAL  70  -8.386   8.683   1.761
  572   HG13  VAL  70          3HG1      VAL  70  -8.364   8.992   3.496
  573   HG21  VAL  70          3HG2      VAL  70  -8.068   7.130   5.074
  574   HG22  VAL  70          1HG2      VAL  70  -8.343   5.473   4.545
  575   HG23  VAL  70          2HG2      VAL  70  -9.683   6.623   4.573
  576    H    LEU  71           H        LEU  71 -10.877   6.704   0.621
  577    HA   LEU  71           HA       LEU  71  -9.402   6.944  -1.912
  578    HB2  LEU  71           2HB      LEU  71 -12.378   6.939  -1.398
  579    HB3  LEU  71           1HB      LEU  71 -11.620   7.017  -2.978
  580    HG   LEU  71           HG       LEU  71 -11.231   4.688  -1.099
  581   HD11  LEU  71          1HD1      LEU  71 -13.200   4.896  -3.372
  582   HD12  LEU  71          2HD1      LEU  71 -13.619   4.945  -1.660
  583   HD13  LEU  71          3HD1      LEU  71 -12.908   3.487  -2.351
  584   HD21  LEU  71          3HD2      LEU  71 -10.777   5.007  -4.064
  585   HD22  LEU  71          1HD2      LEU  71 -10.530   3.529  -3.135
  586   HD23  LEU  71          2HD2      LEU  71  -9.527   4.946  -2.822
  587    H    ARG  72           H        ARG  72  -8.922   8.862  -2.796
  588    HA   ARG  72           HA       ARG  72  -9.897  11.312  -1.495
  589    HB2  ARG  72           2HB      ARG  72  -7.420  10.811  -1.910
  590    HB3  ARG  72           1HB      ARG  72  -7.749  11.104  -3.611
  591    HG2  ARG  72           2HG      ARG  72  -8.452  13.139  -1.524
  592    HG3  ARG  72           1HG      ARG  72  -6.818  13.022  -2.173
  593    HD2  ARG  72           2HD      ARG  72  -7.957  13.172  -4.486
  594    HD3  ARG  72           1HD      ARG  72  -9.363  13.743  -3.589
  595    HE   ARG  72           HE       ARG  72  -6.899  15.163  -3.034
  596   HH11  ARG  72          1HH1      ARG  72  -9.809  15.160  -5.075
  597   HH12  ARG  72          2HH1      ARG  72  -9.671  16.846  -5.430
  598   HH21  ARG  72          1HH2      ARG  72  -6.782  17.356  -3.543
  599   HH22  ARG  72          2HH2      ARG  72  -7.972  18.080  -4.572
  600    H    LEU  73           H        LEU  73 -11.779  12.057  -2.341
  601    HA   LEU  73           HA       LEU  73 -11.897  12.703  -5.175
  602    HB2  LEU  73           2HB      LEU  73 -12.801  10.293  -4.711
  603    HB3  LEU  73           1HB      LEU  73 -14.213  11.122  -4.087
  604    HG   LEU  73           HG       LEU  73 -13.139  11.564  -6.876
  605   HD11  LEU  73          1HD1      LEU  73 -15.436   9.784  -6.076
  606   HD12  LEU  73          2HD1      LEU  73 -13.826   9.199  -6.497
  607   HD13  LEU  73          3HD1      LEU  73 -14.799  10.049  -7.698
  608   HD21  LEU  73          3HD2      LEU  73 -15.694  12.317  -5.472
  609   HD22  LEU  73          1HD2      LEU  73 -15.507  12.370  -7.226
  610   HD23  LEU  73          2HD2      LEU  73 -14.495  13.386  -6.200
  611    H    ARG  74           H        ARG  74 -12.263  14.855  -4.947
  612    HA   ARG  74           HA       ARG  74 -14.764  15.741  -3.750
  613    HB2  ARG  74           2HB      ARG  74 -12.077  16.649  -2.708
  614    HB3  ARG  74           1HB      ARG  74 -13.574  17.517  -2.404
  615    HG2  ARG  74           2HG      ARG  74 -14.473  15.431  -1.359
  616    HG3  ARG  74           1HG      ARG  74 -12.856  14.739  -1.505
  617    HD2  ARG  74           2HD      ARG  74 -13.392  17.339  -0.085
  618    HD3  ARG  74           1HD      ARG  74 -13.455  15.780   0.727
  619    HE   ARG  74           HE       ARG  74 -11.158  15.589   0.559
  620   HH11  ARG  74          1HH1      ARG  74 -12.124  18.534  -1.186
  621   HH12  ARG  74          2HH1      ARG  74 -10.503  19.121  -1.269
  622   HH21  ARG  74          1HH2      ARG  74  -9.068  16.423   0.406
  623   HH22  ARG  74          2HH2      ARG  74  -8.788  17.942  -0.377
  624    H    GLY  75           H        GLY  75 -15.321  17.976  -4.296
  625    HA2  GLY  75           2HA      GLY  75 -13.924  19.836  -5.714
  626    HA3  GLY  75           1HA      GLY  75 -14.410  18.686  -6.950
  627    H    GLY  76           H        GLY  76 -16.481  18.741  -7.757
  628    HA2  GLY  76           2HA      GLY  76 -18.694  19.349  -7.982
  629    HA3  GLY  76           1HA      GLY  76 -18.647  20.019  -6.358
  Start of MODEL   17
    1    H1   MET   1           1HT      MET   1   4.558 -13.642   1.102
    2    H2   MET   1           2HT      MET   1   5.912 -13.406   2.127
    3    H3   MET   1           3HT      MET   1   5.118 -12.060   1.422
    4    HA   MET   1           HA       MET   1   3.958 -13.945   3.339
    5    HB2  MET   1           2HB      MET   1   4.060 -11.998   4.905
    6    HB3  MET   1           1HB      MET   1   5.639 -12.577   4.415
    7    HG2  MET   1           2HG      MET   1   5.834 -10.713   2.843
    8    HG3  MET   1           1HG      MET   1   4.237 -10.145   3.331
    9    HE1  MET   1           2HE      MET   1   4.209  -8.025   5.032
   10    HE2  MET   1           3HE      MET   1   5.244  -7.900   3.610
   11    HE3  MET   1           1HE      MET   1   5.832  -7.351   5.178
   12    H    GLN   2           H        GLN   2   1.828 -13.401   4.054
   13    HA   GLN   2           HA       GLN   2   0.202 -11.965   2.058
   14    HB2  GLN   2           2HB      GLN   2  -0.543 -13.822   4.325
   15    HB3  GLN   2           1HB      GLN   2  -1.710 -13.022   3.280
   16    HG2  GLN   2           2HG      GLN   2  -0.821 -14.190   1.350
   17    HG3  GLN   2           1HG      GLN   2   0.417 -14.942   2.356
   18   HE21  GLN   2          1HE2      GLN   2  -2.374 -15.620   0.829
   19   HE22  GLN   2          2HE2      GLN   2  -3.009 -16.827   1.889
   20    H    ILE   3           H        ILE   3  -1.113 -10.238   2.537
   21    HA   ILE   3           HA       ILE   3  -1.096  -9.130   5.255
   22    HB   ILE   3           HB       ILE   3  -0.780  -6.859   4.414
   23   HG12  ILE   3          2HG1      ILE   3   0.150  -8.004   1.766
   24   HG13  ILE   3          1HG1      ILE   3  -1.503  -7.444   1.988
   25   HG21  ILE   3          1HG2      ILE   3   1.647  -7.063   3.920
   26   HG22  ILE   3          2HG2      ILE   3   1.424  -8.808   3.777
   27   HG23  ILE   3          3HG2      ILE   3   1.109  -8.001   5.313
   28   HD11  ILE   3          3HD1      ILE   3   0.169  -5.827   0.970
   29   HD12  ILE   3          1HD1      ILE   3   0.842  -5.692   2.594
   30   HD13  ILE   3          2HD1      ILE   3  -0.835  -5.233   2.294
   31    H    PHE   4           H        PHE   4  -2.964  -7.426   5.512
   32    HA   PHE   4           HA       PHE   4  -5.223  -8.065   3.716
   33    HB2  PHE   4           2HB      PHE   4  -5.258  -7.621   6.712
   34    HB3  PHE   4           1HB      PHE   4  -6.674  -7.841   5.705
   35    HD1  PHE   4           1HD      PHE   4  -7.161 -10.026   4.688
   36    HD2  PHE   4           2HD      PHE   4  -3.891  -9.498   7.364
   37    HE1  PHE   4           1HE      PHE   4  -7.013 -12.462   4.985
   38    HE2  PHE   4           2HE      PHE   4  -3.741 -11.932   7.663
   39    HZ   PHE   4           HZ       PHE   4  -5.301 -13.417   6.472
   40    H    VAL   5           H        VAL   5  -6.474  -6.341   3.012
   41    HA   VAL   5           HA       VAL   5  -5.792  -3.646   4.062
   42    HB   VAL   5           HB       VAL   5  -6.652  -4.245   1.209
   43   HG11  VAL   5          1HG1      VAL   5  -5.620  -1.661   2.411
   44   HG12  VAL   5          2HG1      VAL   5  -7.316  -1.999   2.074
   45   HG13  VAL   5          3HG1      VAL   5  -6.158  -1.909   0.749
   46   HG21  VAL   5          3HG2      VAL   5  -4.330  -3.546   0.613
   47   HG22  VAL   5          1HG2      VAL   5  -4.398  -5.060   1.517
   48   HG23  VAL   5          2HG2      VAL   5  -3.928  -3.565   2.332
   49    H    LYS   6           H        LYS   6  -7.491  -2.623   5.002
   50    HA   LYS   6           HA       LYS   6 -10.209  -3.665   4.592
   51    HB2  LYS   6           2HB      LYS   6  -8.800  -3.143   6.948
   52    HB3  LYS   6           1HB      LYS   6  -9.846  -1.742   6.820
   53    HG2  LYS   6           2HG      LYS   6 -11.790  -3.009   6.990
   54    HG3  LYS   6           1HG      LYS   6 -10.973  -4.501   6.529
   55    HD2  LYS   6           2HD      LYS   6 -11.407  -4.676   8.844
   56    HD3  LYS   6           1HD      LYS   6  -9.686  -4.331   8.691
   57    HE2  LYS   6           2HE      LYS   6 -10.068  -2.004   9.236
   58    HE3  LYS   6           1HE      LYS   6 -11.811  -2.262   9.261
   59    HZ1  LYS   6           3HZ      LYS   6 -10.890  -2.225  11.493
   60    HZ2  LYS   6           1HZ      LYS   6  -9.848  -3.504  11.119
   61    HZ3  LYS   6           2HZ      LYS   6 -11.522  -3.754  11.145
   62    H    THR   7           H        THR   7 -11.804  -2.393   3.730
   63    HA   THR   7           HA       THR   7 -11.025   0.313   2.866
   64    HB   THR   7           HB       THR   7 -12.688   0.175   1.159
   65    HG1  THR   7           1HG      THR   7 -13.553  -2.246   2.369
   66   HG21  THR   7          3HG2      THR   7 -12.072  -1.741  -0.148
   67   HG22  THR   7          1HG2      THR   7 -11.400  -2.535   1.276
   68   HG23  THR   7          2HG2      THR   7 -10.649  -1.070   0.648
   69    H    LEU   8           H        LEU   8 -12.710   2.041   2.853
   70    HA   LEU   8           HA       LEU   8 -13.751   2.447   5.436
   71    HB2  LEU   8           2HB      LEU   8 -14.584   3.848   2.905
   72    HB3  LEU   8           1HB      LEU   8 -14.926   4.414   4.531
   73    HG   LEU   8           HG       LEU   8 -12.143   3.986   3.500
   74   HD11  LEU   8          1HD1      LEU   8 -11.999   6.383   3.130
   75   HD12  LEU   8          2HD1      LEU   8 -13.694   6.562   3.584
   76   HD13  LEU   8          3HD1      LEU   8 -13.261   5.671   2.124
   77   HD21  LEU   8          3HD2      LEU   8 -11.505   5.425   5.375
   78   HD22  LEU   8          1HD2      LEU   8 -12.361   3.985   5.929
   79   HD23  LEU   8          2HD2      LEU   8 -13.197   5.535   5.858
   80    H    THR   9           H        THR   9 -15.189   0.530   3.050
   81    HA   THR   9           HA       THR   9 -17.931   0.849   4.077
   82    HB   THR   9           HB       THR   9 -18.700  -0.482   2.189
   83    HG1  THR   9           1HG      THR   9 -17.385  -1.585   0.927
   84   HG21  THR   9          3HG2      THR   9 -16.811   1.728   1.481
   85   HG22  THR   9          1HG2      THR   9 -18.574   1.710   1.440
   86   HG23  THR   9          2HG2      THR   9 -17.655   0.816   0.228
   87    H    GLY  10           H        GLY  10 -15.244  -1.109   4.776
   88    HA2  GLY  10           2HA      GLY  10 -15.334  -2.595   6.603
   89    HA3  GLY  10           1HA      GLY  10 -16.992  -2.980   6.210
   90    H    LYS  11           H        LYS  11 -15.145  -3.050   3.339
   91    HA   LYS  11           HA       LYS  11 -15.248  -5.930   3.314
   92    HB2  LYS  11           2HB      LYS  11 -15.841  -4.448   1.319
   93    HB3  LYS  11           1HB      LYS  11 -14.123  -4.160   1.136
   94    HG2  LYS  11           2HG      LYS  11 -13.786  -6.601   0.881
   95    HG3  LYS  11           1HG      LYS  11 -15.536  -6.813   0.946
   96    HD2  LYS  11           2HD      LYS  11 -15.770  -5.364  -1.029
   97    HD3  LYS  11           1HD      LYS  11 -14.016  -5.185  -1.097
   98    HE2  LYS  11           2HE      LYS  11 -14.563  -6.840  -2.681
   99    HE3  LYS  11           1HE      LYS  11 -13.891  -7.697  -1.295
  100    HZ1  LYS  11           3HZ      LYS  11 -15.839  -8.837  -2.067
  101    HZ2  LYS  11           1HZ      LYS  11 -16.768  -7.425  -1.989
  102    HZ3  LYS  11           2HZ      LYS  11 -16.194  -8.140  -0.568
  103    H    THR  12           H        THR  12 -13.396  -7.298   3.218
  104    HA   THR  12           HA       THR  12 -10.760  -6.018   3.731
  105    HB   THR  12           HB       THR  12 -11.662  -8.756   4.673
  106    HG1  THR  12           1HG      THR  12 -12.790  -7.502   5.977
  107   HG21  THR  12          3HG2      THR  12  -9.226  -8.544   4.537
  108   HG22  THR  12          1HG2      THR  12  -9.770  -8.645   6.212
  109   HG23  THR  12          2HG2      THR  12  -9.290  -7.089   5.531
  110    H    ILE  13           H        ILE  13  -9.215  -6.395   2.240
  111    HA   ILE  13           HA       ILE  13  -9.606  -8.604   0.300
  112    HB   ILE  13           HB       ILE  13  -7.708  -6.296  -0.228
  113   HG12  ILE  13          2HG1      ILE  13 -10.590  -6.261  -1.154
  114   HG13  ILE  13          1HG1      ILE  13 -10.024  -5.358   0.243
  115   HG21  ILE  13          1HG2      ILE  13  -9.291  -7.997  -2.149
  116   HG22  ILE  13          2HG2      ILE  13  -7.672  -8.406  -1.579
  117   HG23  ILE  13          3HG2      ILE  13  -7.932  -6.934  -2.515
  118   HD11  ILE  13          3HD1      ILE  13 -10.204  -4.013  -1.820
  119   HD12  ILE  13          1HD1      ILE  13  -8.942  -5.013  -2.539
  120   HD13  ILE  13          2HD1      ILE  13  -8.585  -4.028  -1.120
  121    H    THR  14           H        THR  14  -7.936 -10.107   0.002
  122    HA   THR  14           HA       THR  14  -5.648  -9.912   1.850
  123    HB   THR  14           HB       THR  14  -6.556 -12.397   0.383
  124    HG1  THR  14           1HG      THR  14  -8.295 -12.133   1.576
  125   HG21  THR  14          3HG2      THR  14  -5.485 -13.583   2.203
  126   HG22  THR  14          1HG2      THR  14  -5.040 -12.054   2.961
  127   HG23  THR  14          2HG2      THR  14  -4.341 -12.506   1.407
  128    H    LEU  15           H        LEU  15  -3.618  -9.682   1.049
  129    HA   LEU  15           HA       LEU  15  -3.244 -10.067  -1.865
  130    HB2  LEU  15           2HB      LEU  15  -2.042  -7.868  -0.175
  131    HB3  LEU  15           1HB      LEU  15  -1.735  -8.128  -1.880
  132    HG   LEU  15           HG       LEU  15  -4.464  -7.480  -0.758
  133   HD11  LEU  15          1HD1      LEU  15  -2.431  -5.632  -1.998
  134   HD12  LEU  15          2HD1      LEU  15  -2.955  -5.635  -0.316
  135   HD13  LEU  15          3HD1      LEU  15  -4.095  -5.210  -1.590
  136   HD21  LEU  15          3HD2      LEU  15  -4.988  -6.926  -3.090
  137   HD22  LEU  15          1HD2      LEU  15  -4.517  -8.616  -2.913
  138   HD23  LEU  15          2HD2      LEU  15  -3.373  -7.446  -3.572
  139    H    GLU  16           H        GLU  16  -1.277 -10.890  -2.559
  140    HA   GLU  16           HA       GLU  16   0.489 -12.041  -0.490
  141    HB2  GLU  16           2HB      GLU  16  -0.488 -13.531  -2.321
  142    HB3  GLU  16           1HB      GLU  16   0.518 -12.644  -3.465
  143    HG2  GLU  16           2HG      GLU  16   1.709 -14.599  -2.956
  144    HG3  GLU  16           1HG      GLU  16   2.494 -13.312  -2.042
  145    H    VAL  17           H        VAL  17   2.371 -10.916  -0.096
  146    HA   VAL  17           HA       VAL  17   3.550  -9.261  -2.239
  147    HB   VAL  17           HB       VAL  17   3.927  -7.431  -0.594
  148   HG11  VAL  17          1HG1      VAL  17   1.646  -6.548  -0.684
  149   HG12  VAL  17          2HG1      VAL  17   1.039  -8.159  -1.069
  150   HG13  VAL  17          3HG1      VAL  17   2.101  -7.324  -2.204
  151   HG21  VAL  17          3HG2      VAL  17   3.691  -8.771   1.487
  152   HG22  VAL  17          1HG2      VAL  17   1.963  -8.921   1.164
  153   HG23  VAL  17          2HG2      VAL  17   2.665  -7.335   1.483
  154    H    GLU  18           H        GLU  18   5.766  -8.439  -1.612
  155    HA   GLU  18           HA       GLU  18   7.238 -10.312   0.157
  156    HB2  GLU  18           2HB      GLU  18   8.148  -8.938  -2.396
  157    HB3  GLU  18           1HB      GLU  18   9.231  -9.777  -1.302
  158    HG2  GLU  18           2HG      GLU  18   6.883 -11.107  -2.617
  159    HG3  GLU  18           1HG      GLU  18   8.493 -11.059  -3.336
  160    HA   PRO  19           HA       PRO  19   8.117  -6.713   2.618
  161    HB2  PRO  19           2HB      PRO  19  10.936  -7.550   2.998
  162    HB3  PRO  19           1HB      PRO  19   9.663  -7.229   4.180
  163    HG2  PRO  19           2HG      PRO  19  10.437  -9.743   3.599
  164    HG3  PRO  19           1HG      PRO  19   8.754  -9.345   3.979
  165    HD2  PRO  19           2HD      PRO  19  10.007  -9.854   1.291
  166    HD3  PRO  19           1HD      PRO  19   8.416 -10.357   1.921
  167    H    SER  20           H        SER  20  10.353  -7.403  -0.027
  168    HA   SER  20           HA       SER  20  11.496  -4.737  -0.058
  169    HB2  SER  20           2HB      SER  20  12.573  -5.576  -2.198
  170    HB3  SER  20           1HB      SER  20  12.959  -6.483  -0.738
  171    HG   SER  20           HG       SER  20  11.171  -7.186  -2.816
  172    H    ASP  21           H        ASP  21   8.432  -5.750  -1.007
  173    HA   ASP  21           HA       ASP  21   8.226  -4.514  -3.585
  174    HB2  ASP  21           2HB      ASP  21   6.214  -5.507  -1.571
  175    HB3  ASP  21           1HB      ASP  21   5.690  -4.596  -2.976
  176    H    THR  22           H        THR  22   7.477  -2.447  -4.074
  177    HA   THR  22           HA       THR  22   7.690  -0.411  -2.009
  178    HB   THR  22           HB       THR  22   7.487   1.190  -3.838
  179    HG1  THR  22           1HG      THR  22   7.042   0.583  -5.872
  180   HG21  THR  22          3HG2      THR  22   9.354  -0.889  -4.891
  181   HG22  THR  22          1HG2      THR  22   9.696  -0.032  -3.388
  182   HG23  THR  22          2HG2      THR  22   9.517   0.868  -4.894
  183    H    ILE  23           H        ILE  23   6.044   1.247  -1.693
  184    HA   ILE  23           HA       ILE  23   3.404   0.262  -1.295
  185    HB   ILE  23           HB       ILE  23   4.454   3.090  -1.375
  186   HG12  ILE  23          2HG1      ILE  23   5.483   1.726   0.340
  187   HG13  ILE  23          1HG1      ILE  23   4.453   2.939   1.079
  188   HG21  ILE  23          1HG2      ILE  23   2.031   3.146  -1.741
  189   HG22  ILE  23          2HG2      ILE  23   2.474   3.825  -0.175
  190   HG23  ILE  23          3HG2      ILE  23   1.795   2.200  -0.271
  191   HD11  ILE  23          3HD1      ILE  23   3.908  -0.007   0.818
  192   HD12  ILE  23          1HD1      ILE  23   2.695   1.168   1.324
  193   HD13  ILE  23          2HD1      ILE  23   4.149   0.931   2.292
  194    H    GLU  24           H        GLU  24   4.761   2.218  -3.995
  195    HA   GLU  24           HA       GLU  24   2.370   2.637  -5.481
  196    HB2  GLU  24           2HB      GLU  24   4.653   3.657  -5.972
  197    HB3  GLU  24           1HB      GLU  24   5.114   2.109  -6.668
  198    HG2  GLU  24           2HG      GLU  24   3.462   2.336  -8.394
  199    HG3  GLU  24           1HG      GLU  24   2.804   3.785  -7.634
  200    H    ASN  25           H        ASN  25   4.539  -0.193  -5.317
  201    HA   ASN  25           HA       ASN  25   3.205  -1.678  -7.409
  202    HB2  ASN  25           2HB      ASN  25   5.583  -2.098  -6.442
  203    HB3  ASN  25           1HB      ASN  25   4.753  -2.962  -5.152
  204   HD21  ASN  25          1HD2      ASN  25   6.478  -3.571  -7.775
  205   HD22  ASN  25          2HD2      ASN  25   5.663  -4.971  -8.386
  206    H    VAL  26           H        VAL  26   2.775  -1.530  -3.883
  207    HA   VAL  26           HA       VAL  26   0.772  -3.594  -3.723
  208    HB   VAL  26           HB       VAL  26   1.278  -1.219  -1.879
  209   HG11  VAL  26          1HG1      VAL  26   0.027  -2.482  -0.168
  210   HG12  VAL  26          2HG1      VAL  26  -0.398  -3.690  -1.379
  211   HG13  VAL  26          3HG1      VAL  26  -0.998  -2.039  -1.533
  212   HG21  VAL  26          3HG2      VAL  26   2.047  -4.093  -1.451
  213   HG22  VAL  26          1HG2      VAL  26   2.538  -2.678  -0.523
  214   HG23  VAL  26          2HG2      VAL  26   3.125  -2.895  -2.168
  215    H    LYS  27           H        LYS  27   0.523  -0.055  -4.300
  216    HA   LYS  27           HA       LYS  27  -2.312   0.059  -4.393
  217    HB2  LYS  27           2HB      LYS  27  -0.289   1.737  -5.915
  218    HB3  LYS  27           1HB      LYS  27  -2.001   2.100  -5.803
  219    HG2  LYS  27           2HG      LYS  27  -1.330   2.052  -3.147
  220    HG3  LYS  27           1HG      LYS  27   0.186   2.635  -3.889
  221    HD2  LYS  27           2HD      LYS  27  -1.329   4.274  -5.140
  222    HD3  LYS  27           1HD      LYS  27  -2.531   3.858  -3.917
  223    HE2  LYS  27           2HE      LYS  27   0.255   4.796  -3.253
  224    HE3  LYS  27           1HE      LYS  27  -1.118   5.892  -3.426
  225    HZ1  LYS  27           3HZ      LYS  27  -2.216   4.855  -1.609
  226    HZ2  LYS  27           1HZ      LYS  27  -0.635   5.191  -1.103
  227    HZ3  LYS  27           2HZ      LYS  27  -1.071   3.612  -1.528
  228    H    ALA  28           H        ALA  28   0.101  -0.691  -6.928
  229    HA   ALA  28           HA       ALA  28  -1.694  -0.762  -9.116
  230    HB1  ALA  28           1HB      ALA  28   0.884  -2.300  -8.787
  231    HB2  ALA  28           2HB      ALA  28   0.711  -0.686  -9.478
  232    HB3  ALA  28           3HB      ALA  28   0.008  -2.080 -10.302
  233    H    LYS  29           H        LYS  29  -0.767  -3.273  -6.771
  234    HA   LYS  29           HA       LYS  29  -2.212  -5.478  -7.970
  235    HB2  LYS  29           2HB      LYS  29  -1.287  -4.988  -5.131
  236    HB3  LYS  29           1HB      LYS  29  -2.059  -6.477  -5.663
  237    HG2  LYS  29           2HG      LYS  29  -0.243  -7.035  -7.066
  238    HG3  LYS  29           1HG      LYS  29   0.459  -5.425  -6.920
  239    HD2  LYS  29           2HD      LYS  29   1.082  -5.806  -4.661
  240    HD3  LYS  29           1HD      LYS  29   0.111  -7.276  -4.568
  241    HE2  LYS  29           2HE      LYS  29   2.429  -7.003  -6.468
  242    HE3  LYS  29           1HE      LYS  29   2.635  -7.553  -4.806
  243    HZ1  LYS  29           3HZ      LYS  29   0.962  -8.835  -6.897
  244    HZ2  LYS  29           1HZ      LYS  29   1.027  -9.333  -5.283
  245    HZ3  LYS  29           2HZ      LYS  29   2.408  -9.433  -6.254
  246    H    ILE  30           H        ILE  30  -3.130  -2.967  -5.614
  247    HA   ILE  30           HA       ILE  30  -5.768  -4.044  -5.128
  248    HB   ILE  30           HB       ILE  30  -4.619  -1.277  -4.648
  249   HG12  ILE  30          2HG1      ILE  30  -5.346  -3.578  -2.814
  250   HG13  ILE  30          1HG1      ILE  30  -3.720  -3.135  -3.309
  251   HG21  ILE  30          1HG2      ILE  30  -6.979  -0.889  -4.936
  252   HG22  ILE  30          2HG2      ILE  30  -6.670  -0.909  -3.200
  253   HG23  ILE  30          3HG2      ILE  30  -7.388  -2.316  -3.981
  254   HD11  ILE  30          3HD1      ILE  30  -3.733  -2.154  -1.282
  255   HD12  ILE  30          1HD1      ILE  30  -5.484  -1.951  -1.267
  256   HD13  ILE  30          2HD1      ILE  30  -4.470  -0.828  -2.179
  257    H    GLN  31           H        GLN  31  -4.489  -1.673  -7.505
  258    HA   GLN  31           HA       GLN  31  -6.950  -0.896  -8.727
  259    HB2  GLN  31           2HB      GLN  31  -4.759   0.222  -9.169
  260    HB3  GLN  31           1HB      GLN  31  -4.193  -1.233  -9.977
  261    HG2  GLN  31           2HG      GLN  31  -6.175  -0.828 -11.591
  262    HG3  GLN  31           1HG      GLN  31  -6.223   0.784 -10.887
  263   HE21  GLN  31          1HE2      GLN  31  -5.478  -0.326 -13.644
  264   HE22  GLN  31          2HE2      GLN  31  -3.947   0.408 -13.969
  265    H    ASP  32           H        ASP  32  -4.760  -3.623  -9.383
  266    HA   ASP  32           HA       ASP  32  -6.160  -4.710 -11.617
  267    HB2  ASP  32           2HB      ASP  32  -4.508  -6.244  -9.604
  268    HB3  ASP  32           1HB      ASP  32  -4.908  -6.771 -11.239
  269    H    LYS  33           H        LYS  33  -6.508  -5.396  -8.134
  270    HA   LYS  33           HA       LYS  33  -8.512  -7.446  -8.557
  271    HB2  LYS  33           2HB      LYS  33  -7.793  -6.017  -5.993
  272    HB3  LYS  33           1HB      LYS  33  -8.646  -7.539  -6.117
  273    HG2  LYS  33           2HG      LYS  33  -6.180  -7.935  -7.446
  274    HG3  LYS  33           1HG      LYS  33  -5.807  -7.028  -5.984
  275    HD2  LYS  33           2HD      LYS  33  -6.963  -8.722  -4.641
  276    HD3  LYS  33           1HD      LYS  33  -7.340  -9.628  -6.107
  277    HE2  LYS  33           2HE      LYS  33  -4.965  -9.959  -6.536
  278    HE3  LYS  33           1HE      LYS  33  -4.561  -8.995  -5.114
  279    HZ1  LYS  33           3HZ      LYS  33  -5.530 -10.630  -3.697
  280    HZ2  LYS  33           1HZ      LYS  33  -4.467 -11.428  -4.745
  281    HZ3  LYS  33           2HZ      LYS  33  -6.134 -11.508  -5.010
  282    H    GLU  34           H        GLU  34  -8.689  -4.055  -7.442
  283    HA   GLU  34           HA       GLU  34 -11.640  -4.288  -7.436
  284    HB2  GLU  34           2HB      GLU  34  -9.770  -2.600  -5.802
  285    HB3  GLU  34           1HB      GLU  34 -11.521  -2.382  -5.803
  286    HG2  GLU  34           2HG      GLU  34 -10.279  -5.046  -5.283
  287    HG3  GLU  34           1HG      GLU  34 -10.445  -3.855  -3.963
  288    H    GLY  35           H        GLY  35  -9.267  -2.745  -9.338
  289    HA2  GLY  35           2HA      GLY  35  -9.570  -1.337 -11.104
  290    HA3  GLY  35           1HA      GLY  35 -11.268  -1.255 -10.711
  291    H    ILE  36           H        ILE  36  -9.246  -0.284  -8.103
  292    HA   ILE  36           HA       ILE  36 -10.066   2.499  -8.393
  293    HB   ILE  36           HB       ILE  36  -8.323   1.299  -6.212
  294   HG12  ILE  36          2HG1      ILE  36 -11.275   1.758  -5.789
  295   HG13  ILE  36          1HG1      ILE  36 -10.749   0.273  -6.563
  296   HG21  ILE  36          1HG2      ILE  36  -8.945   3.200  -4.884
  297   HG22  ILE  36          2HG2      ILE  36 -10.117   3.732  -6.089
  298   HG23  ILE  36          3HG2      ILE  36  -8.392   3.802  -6.448
  299   HD11  ILE  36          3HD1      ILE  36 -10.918  -0.283  -4.321
  300   HD12  ILE  36          1HD1      ILE  36 -10.183   1.229  -3.789
  301   HD13  ILE  36          2HD1      ILE  36  -9.194  -0.012  -4.559
  302    HA   PRO  37           HA       PRO  37  -6.063   3.348 -10.433
  303    HB2  PRO  37           2HB      PRO  37  -6.728   6.236 -10.128
  304    HB3  PRO  37           1HB      PRO  37  -6.425   5.304 -11.599
  305    HG2  PRO  37           2HG      PRO  37  -8.880   6.154 -10.961
  306    HG3  PRO  37           1HG      PRO  37  -8.610   4.593 -11.760
  307    HD2  PRO  37           2HD      PRO  37  -9.148   5.161  -8.854
  308    HD3  PRO  37           1HD      PRO  37  -9.834   3.906  -9.909
  309    HA   PRO  38           HA       PRO  38  -3.477   4.004  -6.876
  310    HB2  PRO  38           2HB      PRO  38  -1.404   5.175  -8.710
  311    HB3  PRO  38           1HB      PRO  38  -1.265   3.812  -7.598
  312    HG2  PRO  38           2HG      PRO  38  -1.417   3.418 -10.218
  313    HG3  PRO  38           1HG      PRO  38  -2.240   2.332  -9.083
  314    HD2  PRO  38           2HD      PRO  38  -3.381   4.543 -10.754
  315    HD3  PRO  38           1HD      PRO  38  -4.035   2.930 -10.431
  316    H    ASP  39           H        ASP  39  -3.796   6.774  -9.092
  317    HA   ASP  39           HA       ASP  39  -2.764   8.655  -7.256
  318    HB2  ASP  39           2HB      ASP  39  -3.617  10.394  -8.732
  319    HB3  ASP  39           1HB      ASP  39  -2.836   9.131  -9.664
  320    H    GLN  40           H        GLN  40  -5.867   7.105  -7.275
  321    HA   GLN  40           HA       GLN  40  -7.100   9.200  -5.627
  322    HB2  GLN  40           2HB      GLN  40  -8.268   6.750  -6.963
  323    HB3  GLN  40           1HB      GLN  40  -9.175   7.834  -5.922
  324    HG2  GLN  40           2HG      GLN  40  -8.447   9.681  -7.536
  325    HG3  GLN  40           1HG      GLN  40  -7.992   8.365  -8.618
  326   HE21  GLN  40          1HE2      GLN  40 -10.574  10.310  -7.458
  327   HE22  GLN  40          2HE2      GLN  40 -11.850   9.485  -8.276
  328    H    GLN  41           H        GLN  41  -5.210   6.477  -5.090
  329    HA   GLN  41           HA       GLN  41  -6.691   5.493  -2.731
  330    HB2  GLN  41           2HB      GLN  41  -4.481   4.395  -4.435
  331    HB3  GLN  41           1HB      GLN  41  -4.851   3.690  -2.870
  332    HG2  GLN  41           2HG      GLN  41  -7.216   3.426  -3.686
  333    HG3  GLN  41           1HG      GLN  41  -6.618   3.862  -5.288
  334   HE21  GLN  41          1HE2      GLN  41  -6.004   2.203  -6.567
  335   HE22  GLN  41          2HE2      GLN  41  -5.550   0.637  -6.002
  336    H    ARG  42           H        ARG  42  -6.008   5.735  -0.650
  337    HA   ARG  42           HA       ARG  42  -3.283   6.706  -0.162
  338    HB2  ARG  42           2HB      ARG  42  -5.758   7.442   1.430
  339    HB3  ARG  42           1HB      ARG  42  -4.117   7.936   1.823
  340    HG2  ARG  42           2HG      ARG  42  -4.022   9.173  -0.314
  341    HG3  ARG  42           1HG      ARG  42  -5.713   8.749  -0.592
  342    HD2  ARG  42           2HD      ARG  42  -6.436   9.998   1.282
  343    HD3  ARG  42           1HD      ARG  42  -4.791  10.183   1.886
  344    HE   ARG  42           HE       ARG  42  -5.265  11.374  -0.711
  345   HH11  ARG  42          1HH1      ARG  42  -5.312  12.022   2.784
  346   HH12  ARG  42          2HH1      ARG  42  -5.134  13.727   2.561
  347   HH21  ARG  42          1HH2      ARG  42  -5.038  13.609  -0.921
  348   HH22  ARG  42          2HH2      ARG  42  -4.978  14.620   0.485
  349    H    LEU  43           H        LEU  43  -2.123   5.356   1.187
  350    HA   LEU  43           HA       LEU  43  -3.619   3.214   2.576
  351    HB2  LEU  43           2HB      LEU  43  -0.799   3.270   1.480
  352    HB3  LEU  43           1HB      LEU  43  -1.484   1.977   2.455
  353    HG   LEU  43           HG       LEU  43  -2.597   2.809  -0.231
  354   HD11  LEU  43          1HD1      LEU  43  -0.776   0.491   0.407
  355   HD12  LEU  43          2HD1      LEU  43  -0.297   1.958  -0.447
  356   HD13  LEU  43          3HD1      LEU  43  -1.485   0.872  -1.161
  357   HD21  LEU  43          3HD2      LEU  43  -3.716   0.616  -0.119
  358   HD22  LEU  43          1HD2      LEU  43  -4.213   1.686   1.191
  359   HD23  LEU  43          2HD2      LEU  43  -3.068   0.379   1.503
  360    H    ILE  44           H        ILE  44  -3.501   3.015   4.727
  361    HA   ILE  44           HA       ILE  44  -1.511   4.600   6.245
  362    HB   ILE  44           HB       ILE  44  -4.495   4.340   6.628
  363   HG12  ILE  44          2HG1      ILE  44  -3.821   6.932   7.195
  364   HG13  ILE  44          1HG1      ILE  44  -2.552   6.543   6.054
  365   HG21  ILE  44          1HG2      ILE  44  -4.218   5.507   8.843
  366   HG22  ILE  44          2HG2      ILE  44  -2.505   5.099   8.775
  367   HG23  ILE  44          3HG2      ILE  44  -3.713   3.817   8.826
  368   HD11  ILE  44          3HD1      ILE  44  -5.401   6.987   5.599
  369   HD12  ILE  44          1HD1      ILE  44  -4.713   5.624   4.710
  370   HD13  ILE  44          2HD1      ILE  44  -4.009   7.232   4.544
  371    H    PHE  45           H        PHE  45  -0.460   3.603   7.851
  372    HA   PHE  45           HA       PHE  45  -1.401   1.010   8.863
  373    HB2  PHE  45           2HB      PHE  45   0.341   0.558   7.145
  374    HB3  PHE  45           1HB      PHE  45   1.466   1.578   8.023
  375    HD1  PHE  45           1HD      PHE  45  -0.772  -1.351   8.658
  376    HD2  PHE  45           2HD      PHE  45   2.999   0.486   9.402
  377    HE1  PHE  45           1HE      PHE  45  -0.085  -3.304   9.995
  378    HE2  PHE  45           2HE      PHE  45   3.687  -1.465  10.732
  379    HZ   PHE  45           HZ       PHE  45   2.148  -3.361  11.028
  380    H    ALA  46           H        ALA  46  -1.459   1.078  11.112
  381    HA   ALA  46           HA       ALA  46  -1.286   1.938  13.230
  382    HB1  ALA  46           1HB      ALA  46   1.114   2.289  13.958
  383    HB2  ALA  46           2HB      ALA  46   1.572   1.929  12.293
  384    HB3  ALA  46           3HB      ALA  46   0.729   0.718  13.257
  385    H    GLY  47           H        GLY  47  -2.329   3.873  11.619
  386    HA2  GLY  47           2HA      GLY  47  -2.897   6.084  11.747
  387    HA3  GLY  47           1HA      GLY  47  -1.737   6.261  13.043
  388    H    LYS  48           H        LYS  48  -0.022   5.091  10.369
  389    HA   LYS  48           HA       LYS  48   0.786   7.834   9.592
  390    HB2  LYS  48           2HB      LYS  48   2.434   5.338   9.240
  391    HB3  LYS  48           1HB      LYS  48   2.986   6.991   9.104
  392    HG2  LYS  48           2HG      LYS  48   2.687   7.318  11.503
  393    HG3  LYS  48           1HG      LYS  48   2.077   5.672  11.660
  394    HD2  LYS  48           2HD      LYS  48   4.808   6.270  10.538
  395    HD3  LYS  48           1HD      LYS  48   4.525   6.083  12.269
  396    HE2  LYS  48           2HE      LYS  48   3.709   3.996  10.259
  397    HE3  LYS  48           1HE      LYS  48   5.303   4.019  11.015
  398    HZ1  LYS  48           3HZ      LYS  48   2.693   3.774  12.411
  399    HZ2  LYS  48           1HZ      LYS  48   4.189   3.914  13.189
  400    HZ3  LYS  48           2HZ      LYS  48   3.858   2.564  12.226
  401    H    GLN  49           H        GLN  49   0.811   8.490   7.472
  402    HA   GLN  49           HA       GLN  49  -0.499   6.799   5.494
  403    HB2  GLN  49           2HB      GLN  49  -0.642   9.407   5.812
  404    HB3  GLN  49           1HB      GLN  49   0.811   9.440   4.827
  405    HG2  GLN  49           2HG      GLN  49  -0.312   8.456   2.982
  406    HG3  GLN  49           1HG      GLN  49  -1.720   8.063   3.967
  407   HE21  GLN  49          1HE2      GLN  49  -0.026  10.590   2.234
  408   HE22  GLN  49          2HE2      GLN  49  -1.297  11.756   2.330
  409    H    LEU  50           H        LEU  50   0.588   5.515   4.005
  410    HA   LEU  50           HA       LEU  50   3.483   5.358   4.139
  411    HB2  LEU  50           2HB      LEU  50   1.651   3.704   2.406
  412    HB3  LEU  50           1HB      LEU  50   3.300   3.351   2.862
  413    HG   LEU  50           HG       LEU  50   0.961   3.439   4.769
  414   HD11  LEU  50          1HD1      LEU  50   1.068   1.024   4.801
  415   HD12  LEU  50          2HD1      LEU  50   2.416   1.039   3.664
  416   HD13  LEU  50          3HD1      LEU  50   0.820   1.587   3.149
  417   HD21  LEU  50          3HD2      LEU  50   2.413   2.594   6.442
  418   HD22  LEU  50          1HD2      LEU  50   3.263   3.948   5.703
  419   HD23  LEU  50          2HD2      LEU  50   3.703   2.292   5.279
  420    H    GLU  51           H        GLU  51   4.950   5.979   2.582
  421    HA   GLU  51           HA       GLU  51   3.942   7.576   0.339
  422    HB2  GLU  51           2HB      GLU  51   6.713   7.173   1.475
  423    HB3  GLU  51           1HB      GLU  51   6.395   8.133   0.035
  424    HG2  GLU  51           2HG      GLU  51   5.287   9.784   1.195
  425    HG3  GLU  51           1HG      GLU  51   4.975   8.760   2.594
  426    H    ASP  52           H        ASP  52   4.297   7.230  -1.836
  427    HA   ASP  52           HA       ASP  52   4.345   4.569  -2.719
  428    HB2  ASP  52           2HB      ASP  52   4.661   7.137  -4.273
  429    HB3  ASP  52           1HB      ASP  52   4.496   5.546  -5.015
  430    H    GLY  53           H        GLY  53   7.050   6.800  -2.345
  431    HA2  GLY  53           2HA      GLY  53   8.843   5.164  -3.955
  432    HA3  GLY  53           1HA      GLY  53   9.267   6.603  -3.053
  433    H    ARG  54           H        ARG  54   7.672   4.649  -0.834
  434    HA   ARG  54           HA       ARG  54  10.232   3.510   0.137
  435    HB2  ARG  54           2HB      ARG  54   7.668   4.079   1.651
  436    HB3  ARG  54           1HB      ARG  54   9.116   3.372   2.341
  437    HG2  ARG  54           2HG      ARG  54   8.766   6.194   1.326
  438    HG3  ARG  54           1HG      ARG  54   8.994   5.659   2.977
  439    HD2  ARG  54           2HD      ARG  54  11.256   4.916   2.472
  440    HD3  ARG  54           1HD      ARG  54  11.050   5.385   0.786
  441    HE   ARG  54           HE       ARG  54  11.646   7.100   3.003
  442   HH11  ARG  54          1HH1      ARG  54  10.177   7.118  -0.225
  443   HH12  ARG  54          2HH1      ARG  54  10.440   8.813  -0.442
  444   HH21  ARG  54          1HH2      ARG  54  11.962   9.315   2.658
  445   HH22  ARG  54          2HH2      ARG  54  11.439  10.049   1.180
  446    H    THR  55           H        THR  55  10.064   1.418   1.353
  447    HA   THR  55           HA       THR  55   8.301  -0.486  -0.080
  448    HB   THR  55           HB       THR  55   9.865  -2.229   0.492
  449    HG1  THR  55           1HG      THR  55  10.875  -1.845   2.323
  450   HG21  THR  55          3HG2      THR  55  11.639  -0.017  -0.449
  451   HG22  THR  55          1HG2      THR  55  10.380  -0.703  -1.476
  452   HG23  THR  55          2HG2      THR  55  11.678  -1.730  -0.866
  453    H    LEU  56           H        LEU  56   7.620  -2.420   1.128
  454    HA   LEU  56           HA       LEU  56   6.119  -1.832   3.447
  455    HB2  LEU  56           2HB      LEU  56   7.033  -4.521   2.432
  456    HB3  LEU  56           1HB      LEU  56   5.803  -4.271   3.656
  457    HG   LEU  56           HG       LEU  56   5.596  -3.365   0.781
  458   HD11  LEU  56          1HD1      LEU  56   3.905  -5.178   0.618
  459   HD12  LEU  56          2HD1      LEU  56   4.417  -5.739   2.209
  460   HD13  LEU  56          3HD1      LEU  56   5.553  -5.755   0.861
  461   HD21  LEU  56          3HD2      LEU  56   3.673  -3.272   3.106
  462   HD22  LEU  56          1HD2      LEU  56   3.152  -3.121   1.429
  463   HD23  LEU  56          2HD2      LEU  56   4.250  -1.929   2.121
  464    H    SER  57           H        SER  57   9.363  -3.261   3.219
  465    HA   SER  57           HA       SER  57   9.590  -4.008   5.963
  466    HB2  SER  57           2HB      SER  57  11.087  -5.090   4.420
  467    HB3  SER  57           1HB      SER  57  11.723  -3.534   3.875
  468    HG   SER  57           HG       SER  57  12.088  -4.785   6.396
  469    H    ASP  58           H        ASP  58  10.216  -0.964   4.254
  470    HA   ASP  58           HA       ASP  58  11.742   0.341   6.251
  471    HB2  ASP  58           2HB      ASP  58   9.851   1.539   4.208
  472    HB3  ASP  58           1HB      ASP  58  10.966   2.472   5.195
  473    H    TYR  59           H        TYR  59   8.270  -0.216   6.047
  474    HA   TYR  59           HA       TYR  59   7.777   1.491   8.402
  475    HB2  TYR  59           2HB      TYR  59   5.932   0.168   6.397
  476    HB3  TYR  59           1HB      TYR  59   5.335   0.925   7.872
  477    HD1  TYR  59           1HD      TYR  59   5.696   3.371   8.229
  478    HD2  TYR  59           2HD      TYR  59   6.538   1.496   4.502
  479    HE1  TYR  59           1HE      TYR  59   5.690   5.570   7.130
  480    HE2  TYR  59           2HE      TYR  59   6.531   3.691   3.392
  481    HH   TYR  59           HH       TYR  59   5.244   6.397   4.651
  482    H    ASN  60           H        ASN  60   8.932  -1.520   8.160
  483    HA   ASN  60           HA       ASN  60   8.917  -3.423   9.344
  484    HB2  ASN  60           2HB      ASN  60   7.889  -1.483  11.417
  485    HB3  ASN  60           1HB      ASN  60   8.236  -3.168  11.808
  486   HD21  ASN  60          1HD2      ASN  60   9.600  -0.043  11.037
  487   HD22  ASN  60          2HD2      ASN  60  11.246  -0.478  11.340
  488    H    ILE  61           H        ILE  61   6.734  -3.240   7.587
  489    HA   ILE  61           HA       ILE  61   4.380  -4.230   8.990
  490    HB   ILE  61           HB       ILE  61   4.901  -3.949   6.006
  491   HG12  ILE  61          2HG1      ILE  61   3.114  -2.274   7.777
  492   HG13  ILE  61          1HG1      ILE  61   4.768  -1.824   7.404
  493   HG21  ILE  61          1HG2      ILE  61   2.323  -4.586   7.461
  494   HG22  ILE  61          2HG2      ILE  61   3.224  -5.685   6.416
  495   HG23  ILE  61          3HG2      ILE  61   2.457  -4.251   5.733
  496   HD11  ILE  61          3HD1      ILE  61   3.328  -0.600   5.969
  497   HD12  ILE  61          1HD1      ILE  61   2.469  -2.063   5.483
  498   HD13  ILE  61          2HD1      ILE  61   4.145  -1.818   4.993
  499    H    GLN  62           H        GLN  62   4.064  -6.309   9.487
  500    HA   GLN  62           HA       GLN  62   5.814  -8.406   8.333
  501    HB2  GLN  62           2HB      GLN  62   4.489  -8.090  11.034
  502    HB3  GLN  62           1HB      GLN  62   5.308  -9.559  10.526
  503    HG2  GLN  62           2HG      GLN  62   7.402  -8.475  10.434
  504    HG3  GLN  62           1HG      GLN  62   6.663  -6.884  10.598
  505   HE21  GLN  62          1HE2      GLN  62   8.478  -9.029  12.248
  506   HE22  GLN  62          2HE2      GLN  62   7.940  -8.702  13.854
  507    H    LYS  63           H        LYS  63   4.823 -10.682   8.552
  508    HA   LYS  63           HA       LYS  63   2.653 -10.957   6.884
  509    HB2  LYS  63           2HB      LYS  63   2.423 -13.300   7.661
  510    HB3  LYS  63           1HB      LYS  63   4.077 -12.856   7.255
  511    HG2  LYS  63           2HG      LYS  63   4.557 -12.543   9.648
  512    HG3  LYS  63           1HG      LYS  63   2.924 -13.097  10.026
  513    HD2  LYS  63           2HD      LYS  63   3.377 -15.264   9.106
  514    HD3  LYS  63           1HD      LYS  63   4.926 -14.720   8.462
  515    HE2  LYS  63           2HE      LYS  63   5.767 -14.383  10.723
  516    HE3  LYS  63           1HE      LYS  63   4.216 -14.887  11.386
  517    HZ1  LYS  63           3HZ      LYS  63   5.924 -16.618   9.693
  518    HZ2  LYS  63           1HZ      LYS  63   4.535 -17.074  10.543
  519    HZ3  LYS  63           2HZ      LYS  63   5.939 -16.643  11.382
  520    H    GLU  64           H        GLU  64   0.437 -11.254   7.038
  521    HA   GLU  64           HA       GLU  64  -1.675 -11.072   7.813
  522    HB2  GLU  64           2HB      GLU  64  -0.556 -11.942  10.481
  523    HB3  GLU  64           1HB      GLU  64  -2.264 -11.816  10.085
  524    HG2  GLU  64           2HG      GLU  64  -1.710 -13.456   8.172
  525    HG3  GLU  64           1HG      GLU  64  -0.238 -13.787   9.093
  526    H    SER  65           H        SER  65   0.264  -8.667   8.181
  527    HA   SER  65           HA       SER  65  -1.030  -7.107  10.272
  528    HB2  SER  65           2HB      SER  65   0.908  -6.428   8.054
  529    HB3  SER  65           1HB      SER  65   0.224  -5.203   9.116
  530    HG   SER  65           HG       SER  65   1.767  -5.734  10.442
  531    H    THR  66           H        THR  66  -2.418  -5.290   9.913
  532    HA   THR  66           HA       THR  66  -4.077  -5.478   7.463
  533    HB   THR  66           HB       THR  66  -4.856  -4.371  10.166
  534    HG1  THR  66           1HG      THR  66  -4.788  -6.412  10.696
  535   HG21  THR  66          3HG2      THR  66  -7.162  -5.094   9.245
  536   HG22  THR  66          1HG2      THR  66  -6.380  -5.000   7.667
  537   HG23  THR  66          2HG2      THR  66  -6.461  -3.573   8.700
  538    H    LEU  67           H        LEU  67  -4.004  -3.774   6.099
  539    HA   LEU  67           HA       LEU  67  -3.058  -1.131   7.017
  540    HB2  LEU  67           2HB      LEU  67  -3.261  -2.088   4.156
  541    HB3  LEU  67           1HB      LEU  67  -2.494  -0.630   4.746
  542    HG   LEU  67           HG       LEU  67  -0.924  -2.383   6.024
  543   HD11  LEU  67          1HD1      LEU  67  -2.031  -4.390   5.410
  544   HD12  LEU  67          2HD1      LEU  67  -0.477  -4.332   4.581
  545   HD13  LEU  67          3HD1      LEU  67  -1.961  -3.967   3.699
  546   HD21  LEU  67          3HD2      LEU  67  -0.699  -1.622   3.121
  547   HD22  LEU  67          1HD2      LEU  67   0.609  -2.329   4.068
  548   HD23  LEU  67          2HD2      LEU  67  -0.049  -0.754   4.514
  549    H    HIS  68           H        HIS  68  -4.265   0.729   6.205
  550    HA   HIS  68           HA       HIS  68  -7.101   0.126   5.594
  551    HB2  HIS  68           2HB      HIS  68  -5.843   2.464   7.055
  552    HB3  HIS  68           1HB      HIS  68  -7.542   2.379   6.630
  553    HD1  HIS  68           1HD      HIS  68  -4.976   0.766   8.859
  554    HD2  HIS  68           2HD      HIS  68  -9.103   0.875   8.372
  555    HE1  HIS  68           1HE      HIS  68  -5.916  -0.395  10.872
  556    H    LEU  69           H        LEU  69  -8.015   0.969   3.773
  557    HA   LEU  69           HA       LEU  69  -6.346   2.728   2.068
  558    HB2  LEU  69           2HB      LEU  69  -6.987   0.497   1.154
  559    HB3  LEU  69           1HB      LEU  69  -8.672   0.933   1.339
  560    HG   LEU  69           HG       LEU  69  -8.282   2.774  -0.310
  561   HD11  LEU  69          1HD1      LEU  69  -5.882   3.026  -0.044
  562   HD12  LEU  69          2HD1      LEU  69  -6.287   2.660  -1.720
  563   HD13  LEU  69          3HD1      LEU  69  -5.629   1.398  -0.678
  564   HD21  LEU  69          3HD2      LEU  69  -8.213   1.285  -2.274
  565   HD22  LEU  69          1HD2      LEU  69  -9.309   0.710  -1.019
  566   HD23  LEU  69          2HD2      LEU  69  -7.726  -0.040  -1.217
  567    H    VAL  70           H        VAL  70  -7.045   4.790   1.669
  568    HA   VAL  70           HA       VAL  70  -9.820   5.529   2.221
  569    HB   VAL  70           HB       VAL  70  -7.207   6.846   2.869
  570   HG11  VAL  70          1HG1      VAL  70  -8.351   8.976   3.496
  571   HG12  VAL  70          2HG1      VAL  70  -9.823   8.372   2.736
  572   HG13  VAL  70          3HG1      VAL  70  -8.390   8.679   1.757
  573   HG21  VAL  70          3HG2      VAL  70  -8.212   5.477   4.534
  574   HG22  VAL  70          1HG2      VAL  70  -9.666   6.475   4.513
  575   HG23  VAL  70          2HG2      VAL  70  -8.131   7.157   5.059
  576    H    LEU  71           H        LEU  71 -10.815   6.789   0.604
  577    HA   LEU  71           HA       LEU  71  -9.323   7.026  -1.924
  578    HB2  LEU  71           2HB      LEU  71 -12.307   7.034  -1.441
  579    HB3  LEU  71           1HB      LEU  71 -11.530   7.118  -3.010
  580    HG   LEU  71           HG       LEU  71 -11.183   4.773  -1.147
  581   HD11  LEU  71          1HD1      LEU  71 -12.849   3.593  -2.449
  582   HD12  LEU  71          2HD1      LEU  71 -13.131   5.030  -3.432
  583   HD13  LEU  71          3HD1      LEU  71 -13.559   5.036  -1.722
  584   HD21  LEU  71          3HD2      LEU  71 -10.690   5.105  -4.103
  585   HD22  LEU  71          1HD2      LEU  71 -10.457   3.623  -3.174
  586   HD23  LEU  71          2HD2      LEU  71  -9.454   5.037  -2.846
  587    H    ARG  72           H        ARG  72  -8.833   8.951  -2.781
  588    HA   ARG  72           HA       ARG  72  -9.794  11.392  -1.454
  589    HB2  ARG  72           2HB      ARG  72  -7.335  10.946  -1.816
  590    HB3  ARG  72           1HB      ARG  72  -7.618  11.101  -3.541
  591    HG2  ARG  72           2HG      ARG  72  -8.508  13.344  -1.787
  592    HG3  ARG  72           1HG      ARG  72  -6.777  13.126  -2.022
  593    HD2  ARG  72           2HD      ARG  72  -8.481  13.105  -4.463
  594    HD3  ARG  72           1HD      ARG  72  -8.278  14.643  -3.630
  595    HE   ARG  72           HE       ARG  72  -6.320  13.245  -5.177
  596   HH11  ARG  72          1HH1      ARG  72  -6.630  15.567  -2.510
  597   HH12  ARG  72          2HH1      ARG  72  -5.054  16.223  -2.773
  598   HH21  ARG  72          1HH2      ARG  72  -4.266  14.153  -5.467
  599   HH22  ARG  72          2HH2      ARG  72  -3.726  15.434  -4.431
  600    H    LEU  73           H        LEU  73 -11.489  12.452  -2.310
  601    HA   LEU  73           HA       LEU  73 -12.225  12.044  -5.126
  602    HB2  LEU  73           2HB      LEU  73 -13.695  13.368  -2.845
  603    HB3  LEU  73           1HB      LEU  73 -14.326  13.202  -4.475
  604    HG   LEU  73           HG       LEU  73 -13.565  10.831  -2.770
  605   HD11  LEU  73          1HD1      LEU  73 -15.986  10.569  -2.352
  606   HD12  LEU  73          2HD1      LEU  73 -16.258  12.150  -3.082
  607   HD13  LEU  73          3HD1      LEU  73 -15.313  12.017  -1.599
  608   HD21  LEU  73          3HD2      LEU  73 -15.026   9.625  -4.349
  609   HD22  LEU  73          1HD2      LEU  73 -13.645  10.378  -5.149
  610   HD23  LEU  73          2HD2      LEU  73 -15.244  11.118  -5.262
  611    H    ARG  74           H        ARG  74 -12.604  13.787  -6.580
  612    HA   ARG  74           HA       ARG  74 -10.921  16.130  -6.083
  613    HB2  ARG  74           2HB      ARG  74 -12.318  15.091  -8.552
  614    HB3  ARG  74           1HB      ARG  74 -11.455  16.624  -8.519
  615    HG2  ARG  74           2HG      ARG  74 -10.152  14.019  -7.770
  616    HG3  ARG  74           1HG      ARG  74 -10.201  14.618  -9.432
  617    HD2  ARG  74           2HD      ARG  74  -8.999  16.610  -8.793
  618    HD3  ARG  74           1HD      ARG  74  -9.061  16.153  -7.096
  619    HE   ARG  74           HE       ARG  74  -7.733  14.240  -8.818
  620   HH11  ARG  74          1HH1      ARG  74  -7.196  17.082  -6.753
  621   HH12  ARG  74          2HH1      ARG  74  -5.517  16.726  -6.545
  622   HH21  ARG  74          1HH2      ARG  74  -5.541  13.838  -8.498
  623   HH22  ARG  74          2HH2      ARG  74  -4.585  14.905  -7.526
  624    H    GLY  75           H        GLY  75 -11.645  18.185  -5.763
  625    HA2  GLY  75           2HA      GLY  75 -13.086  19.977  -5.615
  626    HA3  GLY  75           1HA      GLY  75 -14.294  19.037  -6.476
  627    H    GLY  76           H        GLY  76 -16.110  18.655  -5.332
  628    HA2  GLY  76           2HA      GLY  76 -16.202  19.095  -2.490
  629    HA3  GLY  76           1HA      GLY  76 -17.539  18.611  -3.521
  Start of MODEL   18
    1    H1   MET   1           1HT      MET   1   4.983 -12.146   1.357
    2    H2   MET   1           2HT      MET   1   4.440 -13.744   1.081
    3    H3   MET   1           3HT      MET   1   5.810 -13.462   2.073
    4    HA   MET   1           HA       MET   1   3.865 -14.007   3.317
    5    HB2  MET   1           2HB      MET   1   4.009 -12.055   4.874
    6    HB3  MET   1           1HB      MET   1   5.574 -12.644   4.362
    7    HG2  MET   1           2HG      MET   1   5.746 -10.793   2.765
    8    HG3  MET   1           1HG      MET   1   4.168 -10.210   3.294
    9    HE1  MET   1           2HE      MET   1   5.663  -7.445   5.276
   10    HE2  MET   1           3HE      MET   1   4.133  -8.156   4.764
   11    HE3  MET   1           1HE      MET   1   5.411  -7.872   3.584
   12    H    GLN   2           H        GLN   2   1.745 -13.434   4.068
   13    HA   GLN   2           HA       GLN   2   0.112 -11.993   2.083
   14    HB2  GLN   2           2HB      GLN   2  -0.647 -13.804   4.383
   15    HB3  GLN   2           1HB      GLN   2  -1.796 -13.028   3.303
   16    HG2  GLN   2           2HG      GLN   2  -0.792 -14.227   1.406
   17    HG3  GLN   2           1HG      GLN   2   0.296 -15.045   2.527
   18   HE21  GLN   2          1HE2      GLN   2  -2.339 -15.613   0.746
   19   HE22  GLN   2          2HE2      GLN   2  -3.174 -16.725   1.772
   20    H    ILE   3           H        ILE   3  -1.146 -10.229   2.552
   21    HA   ILE   3           HA       ILE   3  -1.106  -9.113   5.269
   22    HB   ILE   3           HB       ILE   3  -0.774  -6.850   4.415
   23   HG12  ILE   3          2HG1      ILE   3   0.111  -8.012   1.760
   24   HG13  ILE   3          1HG1      ILE   3  -1.535  -7.438   2.001
   25   HG21  ILE   3          1HG2      ILE   3   1.387  -8.857   3.808
   26   HG22  ILE   3          2HG2      ILE   3   1.129  -7.943   5.296
   27   HG23  ILE   3          3HG2      ILE   3   1.656  -7.112   3.834
   28   HD11  ILE   3          3HD1      ILE   3   0.150  -5.839   0.959
   29   HD12  ILE   3          1HD1      ILE   3   0.822  -5.692   2.583
   30   HD13  ILE   3          2HD1      ILE   3  -0.853  -5.233   2.278
   31    H    PHE   4           H        PHE   4  -2.972  -7.400   5.536
   32    HA   PHE   4           HA       PHE   4  -5.241  -8.041   3.754
   33    HB2  PHE   4           2HB      PHE   4  -5.242  -7.600   6.750
   34    HB3  PHE   4           1HB      PHE   4  -6.675  -7.806   5.766
   35    HD1  PHE   4           1HD      PHE   4  -7.195  -9.983   4.746
   36    HD2  PHE   4           2HD      PHE   4  -3.881  -9.488   7.373
   37    HE1  PHE   4           1HE      PHE   4  -7.059 -12.422   5.029
   38    HE2  PHE   4           2HE      PHE   4  -3.740 -11.927   7.659
   39    HZ   PHE   4           HZ       PHE   4  -5.330 -13.397   6.487
   40    H    VAL   5           H        VAL   5  -6.500  -6.321   3.053
   41    HA   VAL   5           HA       VAL   5  -5.821  -3.618   4.090
   42    HB   VAL   5           HB       VAL   5  -6.685  -4.229   1.242
   43   HG11  VAL   5          1HG1      VAL   5  -6.127  -1.886   0.787
   44   HG12  VAL   5          2HG1      VAL   5  -5.673  -1.650   2.474
   45   HG13  VAL   5          3HG1      VAL   5  -7.352  -1.982   2.053
   46   HG21  VAL   5          3HG2      VAL   5  -4.439  -5.052   1.532
   47   HG22  VAL   5          1HG2      VAL   5  -3.953  -3.574   2.367
   48   HG23  VAL   5          2HG2      VAL   5  -4.355  -3.530   0.647
   49    H    LYS   6           H        LYS   6  -7.534  -2.585   5.031
   50    HA   LYS   6           HA       LYS   6 -10.252  -3.645   4.604
   51    HB2  LYS   6           2HB      LYS   6  -8.817  -2.882   6.970
   52    HB3  LYS   6           1HB      LYS   6 -10.159  -1.762   6.806
   53    HG2  LYS   6           2HG      LYS   6 -11.753  -3.396   7.090
   54    HG3  LYS   6           1HG      LYS   6 -10.700  -4.687   6.515
   55    HD2  LYS   6           2HD      LYS   6  -9.435  -4.627   8.567
   56    HD3  LYS   6           1HD      LYS   6 -10.364  -3.240   9.141
   57    HE2  LYS   6           2HE      LYS   6 -11.612  -5.896   8.468
   58    HE3  LYS   6           1HE      LYS   6 -11.026  -5.490  10.081
   59    HZ1  LYS   6           3HZ      LYS   6 -13.367  -5.047   9.937
   60    HZ2  LYS   6           1HZ      LYS   6 -13.154  -4.075   8.569
   61    HZ3  LYS   6           2HZ      LYS   6 -12.546  -3.573  10.065
   62    H    THR   7           H        THR   7 -11.887  -2.394   3.786
   63    HA   THR   7           HA       THR   7 -11.164   0.294   2.855
   64    HB   THR   7           HB       THR   7 -12.852   0.092   1.174
   65    HG1  THR   7           1HG      THR   7 -14.476  -1.288   1.247
   66   HG21  THR   7          3HG2      THR   7 -12.222  -1.757  -0.128
   67   HG22  THR   7          1HG2      THR   7 -11.698  -2.670   1.286
   68   HG23  THR   7          2HG2      THR   7 -10.789  -1.251   0.767
   69    H    LEU   8           H        LEU   8 -12.836   2.003   2.859
   70    HA   LEU   8           HA       LEU   8 -13.878   2.366   5.456
   71    HB2  LEU   8           2HB      LEU   8 -14.627   3.871   2.959
   72    HB3  LEU   8           1HB      LEU   8 -14.980   4.394   4.596
   73    HG   LEU   8           HG       LEU   8 -12.187   3.919   3.598
   74   HD11  LEU   8          1HD1      LEU   8 -11.971   6.314   3.300
   75   HD12  LEU   8          2HD1      LEU   8 -13.660   6.541   3.752
   76   HD13  LEU   8          3HD1      LEU   8 -13.253   5.682   2.267
   77   HD21  LEU   8          3HD2      LEU   8 -11.544   5.264   5.531
   78   HD22  LEU   8          1HD2      LEU   8 -12.470   3.847   6.027
   79   HD23  LEU   8          2HD2      LEU   8 -13.239   5.433   5.985
   80    H    THR   9           H        THR   9 -15.333   0.540   3.019
   81    HA   THR   9           HA       THR   9 -18.096   0.940   3.977
   82    HB   THR   9           HB       THR   9 -18.842  -0.299   2.007
   83    HG1  THR   9           1HG      THR   9 -17.500  -1.344   0.720
   84   HG21  THR   9          3HG2      THR   9 -16.912   1.927   1.494
   85   HG22  THR   9          1HG2      THR   9 -18.671   1.919   1.365
   86   HG23  THR   9          2HG2      THR   9 -17.694   1.085   0.156
   87    H    GLY  10           H        GLY  10 -15.532  -1.274   4.550
   88    HA2  GLY  10           2HA      GLY  10 -15.919  -2.804   6.386
   89    HA3  GLY  10           1HA      GLY  10 -17.482  -3.187   5.701
   90    H    LYS  11           H        LYS  11 -14.887  -2.948   3.425
   91    HA   LYS  11           HA       LYS  11 -14.996  -5.852   3.120
   92    HB2  LYS  11           2HB      LYS  11 -15.483  -4.236   1.203
   93    HB3  LYS  11           1HB      LYS  11 -13.749  -3.989   1.105
   94    HG2  LYS  11           2HG      LYS  11 -13.409  -6.338   0.632
   95    HG3  LYS  11           1HG      LYS  11 -15.136  -6.649   0.831
   96    HD2  LYS  11           2HD      LYS  11 -15.587  -5.088  -1.043
   97    HD3  LYS  11           1HD      LYS  11 -13.847  -4.910  -1.271
   98    HE2  LYS  11           2HE      LYS  11 -14.534  -6.514  -2.855
   99    HE3  LYS  11           1HE      LYS  11 -13.768  -7.432  -1.558
  100    HZ1  LYS  11           3HZ      LYS  11 -15.793  -8.504  -2.216
  101    HZ2  LYS  11           1HZ      LYS  11 -16.686  -7.083  -1.995
  102    HZ3  LYS  11           2HZ      LYS  11 -16.005  -7.871  -0.663
  103    H    THR  12           H        THR  12 -13.224  -7.225   3.228
  104    HA   THR  12           HA       THR  12 -10.585  -6.002   3.794
  105    HB   THR  12           HB       THR  12 -11.537  -8.743   4.687
  106    HG1  THR  12           1HG      THR  12 -12.725  -7.428   5.914
  107   HG21  THR  12          3HG2      THR  12  -9.679  -8.748   6.199
  108   HG22  THR  12          1HG2      THR  12  -9.243  -7.100   5.750
  109   HG23  THR  12          2HG2      THR  12  -9.064  -8.409   4.581
  110    H    ILE  13           H        ILE  13  -9.087  -6.354   2.255
  111    HA   ILE  13           HA       ILE  13  -9.491  -8.567   0.326
  112    HB   ILE  13           HB       ILE  13  -7.581  -6.265  -0.196
  113   HG12  ILE  13          2HG1      ILE  13 -10.456  -6.227  -1.147
  114   HG13  ILE  13          1HG1      ILE  13  -9.913  -5.337   0.269
  115   HG21  ILE  13          1HG2      ILE  13  -9.160  -7.960  -2.124
  116   HG22  ILE  13          2HG2      ILE  13  -7.546  -8.373  -1.547
  117   HG23  ILE  13          3HG2      ILE  13  -7.797  -6.898  -2.480
  118   HD11  ILE  13          3HD1      ILE  13 -10.062  -3.980  -1.797
  119   HD12  ILE  13          1HD1      ILE  13  -8.770  -4.963  -2.484
  120   HD13  ILE  13          2HD1      ILE  13  -8.463  -3.982  -1.052
  121    H    THR  14           H        THR  14  -7.841 -10.086   0.035
  122    HA   THR  14           HA       THR  14  -5.553  -9.902   1.884
  123    HB   THR  14           HB       THR  14  -6.476 -12.383   0.415
  124    HG1  THR  14           1HG      THR  14  -8.211 -12.110   1.609
  125   HG21  THR  14          3HG2      THR  14  -5.101 -12.207   3.074
  126   HG22  THR  14          1HG2      THR  14  -4.217 -12.310   1.551
  127   HG23  THR  14          2HG2      THR  14  -5.304 -13.613   2.029
  128    H    LEU  15           H        LEU  15  -3.530  -9.671   1.076
  129    HA   LEU  15           HA       LEU  15  -3.164 -10.056  -1.836
  130    HB2  LEU  15           2HB      LEU  15  -1.947  -7.867  -0.147
  131    HB3  LEU  15           1HB      LEU  15  -1.653  -8.120  -1.855
  132    HG   LEU  15           HG       LEU  15  -4.371  -7.463  -0.714
  133   HD11  LEU  15          1HD1      LEU  15  -2.353  -5.619  -1.983
  134   HD12  LEU  15          2HD1      LEU  15  -2.822  -5.629  -0.283
  135   HD13  LEU  15          3HD1      LEU  15  -4.001  -5.192  -1.521
  136   HD21  LEU  15          3HD2      LEU  15  -4.338  -8.618  -2.904
  137   HD22  LEU  15          1HD2      LEU  15  -3.335  -7.317  -3.544
  138   HD23  LEU  15          2HD2      LEU  15  -4.978  -6.978  -2.998
  139    H    GLU  16           H        GLU  16  -1.213 -10.900  -2.530
  140    HA   GLU  16           HA       GLU  16   0.550 -12.051  -0.460
  141    HB2  GLU  16           2HB      GLU  16  -0.459 -13.500  -2.348
  142    HB3  GLU  16           1HB      GLU  16   0.648 -12.669  -3.430
  143    HG2  GLU  16           2HG      GLU  16   1.590 -14.101  -0.964
  144    HG3  GLU  16           1HG      GLU  16   1.371 -14.924  -2.507
  145    H    VAL  17           H        VAL  17   2.424 -10.930  -0.067
  146    HA   VAL  17           HA       VAL  17   3.604  -9.269  -2.208
  147    HB   VAL  17           HB       VAL  17   3.976  -7.437  -0.562
  148   HG11  VAL  17          1HG1      VAL  17   1.693  -6.564  -0.642
  149   HG12  VAL  17          2HG1      VAL  17   1.091  -8.174  -1.034
  150   HG13  VAL  17          3HG1      VAL  17   2.148  -7.330  -2.164
  151   HG21  VAL  17          3HG2      VAL  17   3.730  -8.804   1.512
  152   HG22  VAL  17          1HG2      VAL  17   1.997  -8.905   1.198
  153   HG23  VAL  17          2HG2      VAL  17   2.745  -7.341   1.521
  154    H    GLU  18           H        GLU  18   5.818  -8.457  -1.598
  155    HA   GLU  18           HA       GLU  18   7.293 -10.321   0.171
  156    HB2  GLU  18           2HB      GLU  18   8.211  -8.968  -2.399
  157    HB3  GLU  18           1HB      GLU  18   9.274  -9.836  -1.304
  158    HG2  GLU  18           2HG      GLU  18   8.791 -11.364  -3.012
  159    HG3  GLU  18           1HG      GLU  18   7.704 -11.830  -1.666
  160    HA   PRO  19           HA       PRO  19   8.192  -6.710   2.599
  161    HB2  PRO  19           2HB      PRO  19  11.014  -7.553   2.966
  162    HB3  PRO  19           1HB      PRO  19   9.748  -7.219   4.159
  163    HG2  PRO  19           2HG      PRO  19  10.508  -9.738   3.589
  164    HG3  PRO  19           1HG      PRO  19   8.827  -9.329   3.974
  165    HD2  PRO  19           2HD      PRO  19  10.067  -9.865   1.285
  166    HD3  PRO  19           1HD      PRO  19   8.480 -10.360   1.923
  167    H    SER  20           H        SER  20  10.413  -7.417  -0.057
  168    HA   SER  20           HA       SER  20  11.559  -4.755  -0.106
  169    HB2  SER  20           2HB      SER  20  12.629  -5.600  -2.241
  170    HB3  SER  20           1HB      SER  20  13.016  -6.504  -0.780
  171    HG   SER  20           HG       SER  20  12.495  -7.988  -2.335
  172    H    ASP  21           H        ASP  21   8.484  -5.768  -1.039
  173    HA   ASP  21           HA       ASP  21   8.282  -4.537  -3.618
  174    HB2  ASP  21           2HB      ASP  21   6.260  -5.535  -1.620
  175    HB3  ASP  21           1HB      ASP  21   5.744  -4.621  -3.030
  176    H    THR  22           H        THR  22   7.506  -2.483  -4.112
  177    HA   THR  22           HA       THR  22   7.719  -0.437  -2.054
  178    HB   THR  22           HB       THR  22   7.519   1.156  -3.885
  179    HG1  THR  22           1HG      THR  22   6.872   0.597  -5.825
  180   HG21  THR  22          3HG2      THR  22   9.745   0.575  -3.679
  181   HG22  THR  22          1HG2      THR  22   9.412   0.302  -5.389
  182   HG23  THR  22          2HG2      THR  22   9.478  -1.064  -4.275
  183    H    ILE  23           H        ILE  23   6.072   1.221  -1.735
  184    HA   ILE  23           HA       ILE  23   3.429   0.236  -1.333
  185    HB   ILE  23           HB       ILE  23   4.484   3.059  -1.408
  186   HG12  ILE  23          2HG1      ILE  23   5.505   1.690   0.307
  187   HG13  ILE  23          1HG1      ILE  23   4.479   2.905   1.045
  188   HG21  ILE  23          1HG2      ILE  23   1.809   2.159  -0.352
  189   HG22  ILE  23          2HG2      ILE  23   2.080   3.162  -1.776
  190   HG23  ILE  23          3HG2      ILE  23   2.494   3.775  -0.175
  191   HD11  ILE  23          3HD1      ILE  23   3.986  -0.046   0.822
  192   HD12  ILE  23          1HD1      ILE  23   2.705   1.098   1.227
  193   HD13  ILE  23          2HD1      ILE  23   4.117   0.945   2.275
  194    H    GLU  24           H        GLU  24   4.784   2.185  -4.034
  195    HA   GLU  24           HA       GLU  24   2.390   2.615  -5.515
  196    HB2  GLU  24           2HB      GLU  24   4.664   3.637  -6.009
  197    HB3  GLU  24           1HB      GLU  24   5.142   2.090  -6.689
  198    HG2  GLU  24           2HG      GLU  24   2.704   3.491  -7.723
  199    HG3  GLU  24           1HG      GLU  24   4.301   4.025  -8.229
  200    H    ASN  25           H        ASN  25   4.551  -0.221  -5.352
  201    HA   ASN  25           HA       ASN  25   3.209  -1.710  -7.436
  202    HB2  ASN  25           2HB      ASN  25   5.590  -2.131  -6.475
  203    HB3  ASN  25           1HB      ASN  25   4.761  -2.987  -5.178
  204   HD21  ASN  25          1HD2      ASN  25   4.089  -5.071  -5.526
  205   HD22  ASN  25          2HD2      ASN  25   4.231  -5.879  -7.044
  206    H    VAL  26           H        VAL  26   2.793  -1.553  -3.911
  207    HA   VAL  26           HA       VAL  26   0.782  -3.605  -3.737
  208    HB   VAL  26           HB       VAL  26   1.302  -1.225  -1.905
  209   HG11  VAL  26          1HG1      VAL  26   0.051  -2.482  -0.185
  210   HG12  VAL  26          2HG1      VAL  26  -0.392  -3.680  -1.400
  211   HG13  VAL  26          3HG1      VAL  26  -0.974  -2.022  -1.545
  212   HG21  VAL  26          3HG2      VAL  26   3.140  -2.920  -2.199
  213   HG22  VAL  26          1HG2      VAL  26   2.057  -4.097  -1.454
  214   HG23  VAL  26          2HG2      VAL  26   2.571  -2.675  -0.550
  215    H    LYS  27           H        LYS  27   0.542  -0.069  -4.324
  216    HA   LYS  27           HA       LYS  27  -2.288   0.053  -4.408
  217    HB2  LYS  27           2HB      LYS  27  -0.261   1.726  -5.927
  218    HB3  LYS  27           1HB      LYS  27  -1.973   2.091  -5.831
  219    HG2  LYS  27           2HG      LYS  27  -1.323   2.047  -3.169
  220    HG3  LYS  27           1HG      LYS  27   0.199   2.631  -3.901
  221    HD2  LYS  27           2HD      LYS  27  -1.291   4.270  -5.168
  222    HD3  LYS  27           1HD      LYS  27  -2.523   3.854  -3.974
  223    HE2  LYS  27           2HE      LYS  27   0.251   4.804  -3.254
  224    HE3  LYS  27           1HE      LYS  27  -1.131   5.885  -3.439
  225    HZ1  LYS  27           3HZ      LYS  27  -2.253   4.767  -1.655
  226    HZ2  LYS  27           1HZ      LYS  27  -0.714   5.222  -1.120
  227    HZ3  LYS  27           2HZ      LYS  27  -1.025   3.612  -1.532
  228    H    ALA  28           H        ALA  28   0.113  -0.704  -6.948
  229    HA   ALA  28           HA       ALA  28  -1.684  -0.771  -9.133
  230    HB1  ALA  28           1HB      ALA  28   0.884  -2.327  -8.815
  231    HB2  ALA  28           2HB      ALA  28   0.722  -0.704  -9.489
  232    HB3  ALA  28           3HB      ALA  28   0.010  -2.081 -10.328
  233    H    LYS  29           H        LYS  29  -0.760  -3.281  -6.787
  234    HA   LYS  29           HA       LYS  29  -2.218  -5.481  -7.981
  235    HB2  LYS  29           2HB      LYS  29  -1.319  -5.020  -5.126
  236    HB3  LYS  29           1HB      LYS  29  -2.038  -6.511  -5.720
  237    HG2  LYS  29           2HG      LYS  29  -0.123  -6.538  -7.422
  238    HG3  LYS  29           1HG      LYS  29   0.629  -5.313  -6.399
  239    HD2  LYS  29           2HD      LYS  29   0.314  -6.945  -4.472
  240    HD3  LYS  29           1HD      LYS  29  -0.077  -8.155  -5.693
  241    HE2  LYS  29           2HE      LYS  29   2.175  -7.459  -6.771
  242    HE3  LYS  29           1HE      LYS  29   2.520  -6.740  -5.198
  243    HZ1  LYS  29           3HZ      LYS  29   1.879  -9.591  -5.726
  244    HZ2  LYS  29           1HZ      LYS  29   2.121  -8.921  -4.190
  245    HZ3  LYS  29           2HZ      LYS  29   3.393  -8.963  -5.305
  246    H    ILE  30           H        ILE  30  -3.116  -2.962  -5.623
  247    HA   ILE  30           HA       ILE  30  -5.754  -4.030  -5.115
  248    HB   ILE  30           HB       ILE  30  -4.585  -1.267  -4.652
  249   HG12  ILE  30          2HG1      ILE  30  -5.334  -3.541  -2.794
  250   HG13  ILE  30          1HG1      ILE  30  -3.703  -3.141  -3.313
  251   HG21  ILE  30          1HG2      ILE  30  -7.367  -2.280  -4.014
  252   HG22  ILE  30          2HG2      ILE  30  -6.924  -0.829  -4.911
  253   HG23  ILE  30          3HG2      ILE  30  -6.636  -0.912  -3.174
  254   HD11  ILE  30          3HD1      ILE  30  -3.677  -2.142  -1.291
  255   HD12  ILE  30          1HD1      ILE  30  -5.422  -1.878  -1.276
  256   HD13  ILE  30          2HD1      ILE  30  -4.374  -0.806  -2.207
  257    H    GLN  31           H        GLN  31  -4.482  -1.667  -7.505
  258    HA   GLN  31           HA       GLN  31  -6.952  -0.886  -8.712
  259    HB2  GLN  31           2HB      GLN  31  -4.763   0.225  -9.171
  260    HB3  GLN  31           1HB      GLN  31  -4.203  -1.233  -9.976
  261    HG2  GLN  31           2HG      GLN  31  -6.173  -0.839 -11.591
  262    HG3  GLN  31           1HG      GLN  31  -6.253   0.770 -10.880
  263   HE21  GLN  31          1HE2      GLN  31  -5.491  -0.287 -13.641
  264   HE22  GLN  31          2HE2      GLN  31  -3.971   0.468 -13.958
  265    H    ASP  32           H        ASP  32  -4.776  -3.624  -9.371
  266    HA   ASP  32           HA       ASP  32  -6.190  -4.711 -11.593
  267    HB2  ASP  32           2HB      ASP  32  -4.533  -6.247  -9.581
  268    HB3  ASP  32           1HB      ASP  32  -4.944  -6.776 -11.216
  269    H    LYS  33           H        LYS  33  -6.528  -5.386  -8.106
  270    HA   LYS  33           HA       LYS  33  -8.539  -7.427  -8.519
  271    HB2  LYS  33           2HB      LYS  33  -7.818  -6.001  -5.955
  272    HB3  LYS  33           1HB      LYS  33  -8.665  -7.526  -6.083
  273    HG2  LYS  33           2HG      LYS  33  -6.186  -7.893  -7.413
  274    HG3  LYS  33           1HG      LYS  33  -5.831  -7.006  -5.934
  275    HD2  LYS  33           2HD      LYS  33  -6.959  -8.727  -4.617
  276    HD3  LYS  33           1HD      LYS  33  -7.367  -9.601  -6.095
  277    HE2  LYS  33           2HE      LYS  33  -5.038 -10.004  -6.558
  278    HE3  LYS  33           1HE      LYS  33  -4.553  -8.990  -5.200
  279    HZ1  LYS  33           3HZ      LYS  33  -5.467 -10.557  -3.676
  280    HZ2  LYS  33           1HZ      LYS  33  -4.467 -11.408  -4.743
  281    HZ3  LYS  33           2HZ      LYS  33  -6.147 -11.478  -4.922
  282    H    GLU  34           H        GLU  34  -8.701  -4.032  -7.412
  283    HA   GLU  34           HA       GLU  34 -11.652  -4.254  -7.396
  284    HB2  GLU  34           2HB      GLU  34  -9.773  -2.567  -5.776
  285    HB3  GLU  34           1HB      GLU  34 -11.521  -2.345  -5.771
  286    HG2  GLU  34           2HG      GLU  34 -10.278  -5.006  -5.245
  287    HG3  GLU  34           1HG      GLU  34 -10.439  -3.810  -3.928
  288    H    GLY  35           H        GLY  35  -9.285  -2.729  -9.316
  289    HA2  GLY  35           2HA      GLY  35  -9.586  -1.321 -11.079
  290    HA3  GLY  35           1HA      GLY  35 -11.284  -1.238 -10.685
  291    H    ILE  36           H        ILE  36  -9.262  -0.269  -8.078
  292    HA   ILE  36           HA       ILE  36 -10.084   2.511  -8.364
  293    HB   ILE  36           HB       ILE  36  -8.348   1.313  -6.182
  294   HG12  ILE  36          2HG1      ILE  36 -11.305   1.759  -5.766
  295   HG13  ILE  36          1HG1      ILE  36 -10.768   0.277  -6.540
  296   HG21  ILE  36          1HG2      ILE  36 -10.141   3.744  -6.061
  297   HG22  ILE  36          2HG2      ILE  36  -8.413   3.813  -6.401
  298   HG23  ILE  36          3HG2      ILE  36  -8.982   3.206  -4.846
  299   HD11  ILE  36          3HD1      ILE  36 -10.984  -0.237  -4.273
  300   HD12  ILE  36          1HD1      ILE  36 -10.156   1.239  -3.774
  301   HD13  ILE  36          2HD1      ILE  36  -9.249  -0.061  -4.548
  302    HA   PRO  37           HA       PRO  37  -6.082   3.377 -10.395
  303    HB2  PRO  37           2HB      PRO  37  -6.765   6.260 -10.081
  304    HB3  PRO  37           1HB      PRO  37  -6.441   5.341 -11.555
  305    HG2  PRO  37           2HG      PRO  37  -8.908   6.167 -10.934
  306    HG3  PRO  37           1HG      PRO  37  -8.624   4.611 -11.735
  307    HD2  PRO  37           2HD      PRO  37  -9.187   5.166  -8.836
  308    HD3  PRO  37           1HD      PRO  37  -9.857   3.909  -9.896
  309    HA   PRO  38           HA       PRO  38  -3.515   4.022  -6.817
  310    HB2  PRO  38           2HB      PRO  38  -1.440   5.192  -8.657
  311    HB3  PRO  38           1HB      PRO  38  -1.294   3.839  -7.529
  312    HG2  PRO  38           2HG      PRO  38  -1.445   3.411 -10.141
  313    HG3  PRO  38           1HG      PRO  38  -2.277   2.340  -8.998
  314    HD2  PRO  38           2HD      PRO  38  -3.401   4.538 -10.701
  315    HD3  PRO  38           1HD      PRO  38  -4.061   2.926 -10.358
  316    H    ASP  39           H        ASP  39  -3.830   6.786  -9.039
  317    HA   ASP  39           HA       ASP  39  -2.791   8.670  -7.209
  318    HB2  ASP  39           2HB      ASP  39  -3.649  10.409  -8.686
  319    HB3  ASP  39           1HB      ASP  39  -2.868   9.146  -9.618
  320    H    GLN  40           H        GLN  40  -5.898   7.126  -7.215
  321    HA   GLN  40           HA       GLN  40  -7.120   9.228  -5.569
  322    HB2  GLN  40           2HB      GLN  40  -8.293   6.782  -6.901
  323    HB3  GLN  40           1HB      GLN  40  -9.200   7.859  -5.853
  324    HG2  GLN  40           2HG      GLN  40  -8.551   9.719  -7.438
  325    HG3  GLN  40           1HG      GLN  40  -7.991   8.451  -8.528
  326   HE21  GLN  40          1HE2      GLN  40  -9.470   8.416 -10.157
  327   HE22  GLN  40          2HE2      GLN  40 -11.174   8.269  -9.918
  328    H    GLN  41           H        GLN  41  -5.245   6.493  -5.035
  329    HA   GLN  41           HA       GLN  41  -6.719   5.521  -2.675
  330    HB2  GLN  41           2HB      GLN  41  -4.509   4.410  -4.375
  331    HB3  GLN  41           1HB      GLN  41  -4.896   3.707  -2.808
  332    HG2  GLN  41           2HG      GLN  41  -7.258   3.462  -3.643
  333    HG3  GLN  41           1HG      GLN  41  -6.648   3.893  -5.239
  334   HE21  GLN  41          1HE2      GLN  41  -6.081   2.216  -6.512
  335   HE22  GLN  41          2HE2      GLN  41  -5.618   0.653  -5.943
  336    H    ARG  42           H        ARG  42  -6.032   5.775  -0.603
  337    HA   ARG  42           HA       ARG  42  -3.300   6.734  -0.130
  338    HB2  ARG  42           2HB      ARG  42  -5.779   7.494   1.450
  339    HB3  ARG  42           1HB      ARG  42  -4.136   7.959   1.867
  340    HG2  ARG  42           2HG      ARG  42  -3.967   9.270  -0.167
  341    HG3  ARG  42           1HG      ARG  42  -5.590   8.764  -0.641
  342    HD2  ARG  42           2HD      ARG  42  -6.578   9.934   1.173
  343    HD3  ARG  42           1HD      ARG  42  -5.013  10.217   1.930
  344    HE   ARG  42           HE       ARG  42  -5.317  11.394  -0.698
  345   HH11  ARG  42          1HH1      ARG  42  -5.719  12.017   2.778
  346   HH12  ARG  42          2HH1      ARG  42  -5.639  13.731   2.571
  347   HH21  ARG  42          1HH2      ARG  42  -5.222  13.639  -0.891
  348   HH22  ARG  42          2HH2      ARG  42  -5.357  14.643   0.513
  349    H    LEU  43           H        LEU  43  -2.139   5.379   1.205
  350    HA   LEU  43           HA       LEU  43  -3.635   3.241   2.599
  351    HB2  LEU  43           2HB      LEU  43  -0.814   3.287   1.502
  352    HB3  LEU  43           1HB      LEU  43  -1.511   1.993   2.467
  353    HG   LEU  43           HG       LEU  43  -2.606   2.848  -0.217
  354   HD11  LEU  43          1HD1      LEU  43  -0.835   0.491   0.407
  355   HD12  LEU  43          2HD1      LEU  43  -0.304   1.967  -0.397
  356   HD13  LEU  43          3HD1      LEU  43  -1.503   0.928  -1.166
  357   HD21  LEU  43          3HD2      LEU  43  -3.715   0.629  -0.112
  358   HD22  LEU  43          1HD2      LEU  43  -4.261   1.743   1.142
  359   HD23  LEU  43          2HD2      LEU  43  -3.127   0.453   1.541
  360    H    ILE  44           H        ILE  44  -3.513   3.044   4.748
  361    HA   ILE  44           HA       ILE  44  -1.501   4.614   6.254
  362    HB   ILE  44           HB       ILE  44  -4.479   4.370   6.677
  363   HG12  ILE  44          2HG1      ILE  44  -3.815   6.965   7.177
  364   HG13  ILE  44          1HG1      ILE  44  -2.540   6.568   6.047
  365   HG21  ILE  44          1HG2      ILE  44  -2.439   5.196   8.756
  366   HG22  ILE  44          2HG2      ILE  44  -3.618   3.889   8.872
  367   HG23  ILE  44          3HG2      ILE  44  -4.160   5.567   8.865
  368   HD11  ILE  44          3HD1      ILE  44  -5.340   7.084   5.554
  369   HD12  ILE  44          1HD1      ILE  44  -4.775   5.606   4.770
  370   HD13  ILE  44          2HD1      ILE  44  -3.951   7.136   4.466
  371    H    PHE  45           H        PHE  45  -0.458   3.611   7.868
  372    HA   PHE  45           HA       PHE  45  -1.414   1.023   8.881
  373    HB2  PHE  45           2HB      PHE  45   0.317   0.553   7.161
  374    HB3  PHE  45           1HB      PHE  45   1.453   1.575   8.027
  375    HD1  PHE  45           1HD      PHE  45  -0.785  -1.347   8.689
  376    HD2  PHE  45           2HD      PHE  45   2.992   0.488   9.400
  377    HE1  PHE  45           1HE      PHE  45  -0.092  -3.293  10.023
  378    HE2  PHE  45           2HE      PHE  45   3.690  -1.458  10.732
  379    HZ   PHE  45           HZ       PHE  45   2.148  -3.350  11.049
  380    H    ALA  46           H        ALA  46  -1.465   1.095  11.132
  381    HA   ALA  46           HA       ALA  46  -1.284   1.957  13.247
  382    HB1  ALA  46           1HB      ALA  46   0.918   1.950  14.133
  383    HB2  ALA  46           2HB      ALA  46   1.629   2.283  12.555
  384    HB3  ALA  46           3HB      ALA  46   0.870   0.722  12.868
  385    H    GLY  47           H        GLY  47  -2.324   3.893  11.639
  386    HA2  GLY  47           2HA      GLY  47  -2.881   6.106  11.770
  387    HA3  GLY  47           1HA      GLY  47  -1.713   6.278  13.059
  388    H    LYS  48           H        LYS  48  -0.012   5.099  10.382
  389    HA   LYS  48           HA       LYS  48   0.801   7.836   9.597
  390    HB2  LYS  48           2HB      LYS  48   2.467   5.354   9.219
  391    HB3  LYS  48           1HB      LYS  48   3.001   7.017   9.147
  392    HG2  LYS  48           2HG      LYS  48   2.718   7.262  11.541
  393    HG3  LYS  48           1HG      LYS  48   2.067   5.626  11.652
  394    HD2  LYS  48           2HD      LYS  48   4.238   4.789  10.734
  395    HD3  LYS  48           1HD      LYS  48   4.865   6.434  10.871
  396    HE2  LYS  48           2HE      LYS  48   4.436   6.399  13.277
  397    HE3  LYS  48           1HE      LYS  48   3.790   4.764  13.143
  398    HZ1  LYS  48           3HZ      LYS  48   6.582   5.603  12.575
  399    HZ2  LYS  48           1HZ      LYS  48   5.979   4.039  12.343
  400    HZ3  LYS  48           2HZ      LYS  48   6.057   4.694  13.901
  401    H    GLN  49           H        GLN  49   0.824   8.484   7.467
  402    HA   GLN  49           HA       GLN  49  -0.484   6.768   5.508
  403    HB2  GLN  49           2HB      GLN  49   0.623   9.580   5.361
  404    HB3  GLN  49           1HB      GLN  49  -0.028   8.746   3.958
  405    HG2  GLN  49           2HG      GLN  49  -2.189   8.640   4.907
  406    HG3  GLN  49           1HG      GLN  49  -1.594   9.167   6.483
  407   HE21  GLN  49          1HE2      GLN  49  -1.271  11.369   6.871
  408   HE22  GLN  49          2HE2      GLN  49  -1.747  12.584   5.739
  409    H    LEU  50           H        LEU  50   0.595   5.493   4.016
  410    HA   LEU  50           HA       LEU  50   3.494   5.335   4.145
  411    HB2  LEU  50           2HB      LEU  50   1.660   3.683   2.413
  412    HB3  LEU  50           1HB      LEU  50   3.309   3.326   2.871
  413    HG   LEU  50           HG       LEU  50   0.967   3.420   4.773
  414   HD11  LEU  50          1HD1      LEU  50   1.111   0.989   4.820
  415   HD12  LEU  50          2HD1      LEU  50   2.403   1.034   3.619
  416   HD13  LEU  50          3HD1      LEU  50   0.779   1.571   3.188
  417   HD21  LEU  50          3HD2      LEU  50   3.700   2.260   5.291
  418   HD22  LEU  50          1HD2      LEU  50   2.411   2.579   6.451
  419   HD23  LEU  50          2HD2      LEU  50   3.275   3.921   5.706
  420    H    GLU  51           H        GLU  51   4.960   5.952   2.577
  421    HA   GLU  51           HA       GLU  51   3.948   7.546   0.337
  422    HB2  GLU  51           2HB      GLU  51   6.726   7.148   1.465
  423    HB3  GLU  51           1HB      GLU  51   6.404   8.100   0.020
  424    HG2  GLU  51           2HG      GLU  51   5.307   9.762   1.174
  425    HG3  GLU  51           1HG      GLU  51   4.987   8.742   2.577
  426    H    ASP  52           H        ASP  52   4.309   7.208  -1.839
  427    HA   ASP  52           HA       ASP  52   4.349   4.546  -2.724
  428    HB2  ASP  52           2HB      ASP  52   4.662   7.115  -4.278
  429    HB3  ASP  52           1HB      ASP  52   4.503   5.526  -5.023
  430    H    GLY  53           H        GLY  53   7.057   6.783  -2.389
  431    HA2  GLY  53           2HA      GLY  53   8.834   5.133  -3.994
  432    HA3  GLY  53           1HA      GLY  53   9.270   6.570  -3.095
  433    H    ARG  54           H        ARG  54   7.687   4.624  -0.866
  434    HA   ARG  54           HA       ARG  54  10.251   3.478   0.091
  435    HB2  ARG  54           2HB      ARG  54   7.691   4.047   1.608
  436    HB3  ARG  54           1HB      ARG  54   9.137   3.345   2.303
  437    HG2  ARG  54           2HG      ARG  54   8.785   6.164   1.282
  438    HG3  ARG  54           1HG      ARG  54   9.007   5.631   2.935
  439    HD2  ARG  54           2HD      ARG  54  11.270   4.888   2.436
  440    HD3  ARG  54           1HD      ARG  54  11.069   5.348   0.749
  441    HE   ARG  54           HE       ARG  54  10.600   7.675   1.998
  442   HH11  ARG  54          1HH1      ARG  54  13.304   5.406   2.422
  443   HH12  ARG  54          2HH1      ARG  54  14.393   6.655   2.910
  444   HH21  ARG  54          1HH2      ARG  54  12.081   9.252   2.640
  445   HH22  ARG  54          2HH2      ARG  54  13.709   8.814   3.034
  446    H    THR  55           H        THR  55  10.083   1.386   1.312
  447    HA   THR  55           HA       THR  55   8.309  -0.516  -0.120
  448    HB   THR  55           HB       THR  55   9.870  -2.267   0.458
  449    HG1  THR  55           1HG      THR  55  10.879  -1.874   2.286
  450   HG21  THR  55          3HG2      THR  55  11.800  -1.698  -0.807
  451   HG22  THR  55          1HG2      THR  55  11.517   0.026  -0.563
  452   HG23  THR  55          2HG2      THR  55  10.403  -0.919  -1.550
  453    H    LEU  56           H        LEU  56   7.623  -2.448   1.093
  454    HA   LEU  56           HA       LEU  56   6.129  -1.854   3.414
  455    HB2  LEU  56           2HB      LEU  56   7.038  -4.547   2.403
  456    HB3  LEU  56           1HB      LEU  56   5.806  -4.293   3.628
  457    HG   LEU  56           HG       LEU  56   5.602  -3.385   0.753
  458   HD11  LEU  56          1HD1      LEU  56   4.227  -5.688   2.121
  459   HD12  LEU  56          2HD1      LEU  56   5.608  -5.840   1.034
  460   HD13  LEU  56          3HD1      LEU  56   4.076  -5.209   0.430
  461   HD21  LEU  56          3HD2      LEU  56   3.156  -3.151   1.403
  462   HD22  LEU  56          1HD2      LEU  56   4.251  -1.952   2.089
  463   HD23  LEU  56          2HD2      LEU  56   3.681  -3.296   3.077
  464    H    SER  57           H        SER  57   9.371  -3.291   3.181
  465    HA   SER  57           HA       SER  57   9.592  -4.036   5.927
  466    HB2  SER  57           2HB      SER  57  11.081  -5.124   4.369
  467    HB3  SER  57           1HB      SER  57  11.734  -3.567   3.847
  468    HG   SER  57           HG       SER  57  13.063  -4.770   5.364
  469    H    ASP  58           H        ASP  58  10.230  -1.000   4.208
  470    HA   ASP  58           HA       ASP  58  11.766   0.306   6.194
  471    HB2  ASP  58           2HB      ASP  58   9.865   1.496   4.157
  472    HB3  ASP  58           1HB      ASP  58  10.978   2.435   5.139
  473    H    TYR  59           H        TYR  59   8.290  -0.243   6.010
  474    HA   TYR  59           HA       TYR  59   7.809   1.469   8.361
  475    HB2  TYR  59           2HB      TYR  59   5.935   0.123   6.392
  476    HB3  TYR  59           1HB      TYR  59   5.367   0.906   7.865
  477    HD1  TYR  59           1HD      TYR  59   5.629   3.350   8.151
  478    HD2  TYR  59           2HD      TYR  59   6.595   1.423   4.483
  479    HE1  TYR  59           1HE      TYR  59   5.578   5.523   7.002
  480    HE2  TYR  59           2HE      TYR  59   6.547   3.590   3.326
  481    HH   TYR  59           HH       TYR  59   6.930   6.184   4.257
  482    H    ASN  60           H        ASN  60   8.957  -1.551   8.131
  483    HA   ASN  60           HA       ASN  60   8.944  -3.437   9.342
  484    HB2  ASN  60           2HB      ASN  60   9.504  -1.826  11.116
  485    HB3  ASN  60           1HB      ASN  60   7.797  -1.580  11.448
  486   HD21  ASN  60          1HD2      ASN  60   7.982  -2.216  13.639
  487   HD22  ASN  60          2HD2      ASN  60   8.308  -3.850  14.096
  488    H    ILE  61           H        ILE  61   6.753  -3.241   7.588
  489    HA   ILE  61           HA       ILE  61   4.387  -4.212   8.991
  490    HB   ILE  61           HB       ILE  61   4.913  -3.938   6.005
  491   HG12  ILE  61          2HG1      ILE  61   3.139  -2.248   7.778
  492   HG13  ILE  61          1HG1      ILE  61   4.796  -1.810   7.397
  493   HG21  ILE  61          1HG2      ILE  61   2.328  -4.560   7.457
  494   HG22  ILE  61          2HG2      ILE  61   3.227  -5.659   6.410
  495   HG23  ILE  61          3HG2      ILE  61   2.470  -4.218   5.731
  496   HD11  ILE  61          3HD1      ILE  61   3.370  -0.578   5.957
  497   HD12  ILE  61          1HD1      ILE  61   2.486  -2.030   5.489
  498   HD13  ILE  61          2HD1      ILE  61   4.161  -1.817   4.981
  499    H    GLN  62           H        GLN  62   4.067  -6.291   9.497
  500    HA   GLN  62           HA       GLN  62   5.808  -8.395   8.342
  501    HB2  GLN  62           2HB      GLN  62   4.497  -8.067  11.045
  502    HB3  GLN  62           1HB      GLN  62   5.310  -9.543  10.538
  503    HG2  GLN  62           2HG      GLN  62   7.410  -8.461  10.434
  504    HG3  GLN  62           1HG      GLN  62   6.672  -6.866  10.592
  505   HE21  GLN  62          1HE2      GLN  62   8.517  -8.953  12.244
  506   HE22  GLN  62          2HE2      GLN  62   7.976  -8.636  13.853
  507    H    LYS  63           H        LYS  63   4.814 -10.672   8.568
  508    HA   LYS  63           HA       LYS  63   2.636 -10.948   6.903
  509    HB2  LYS  63           2HB      LYS  63   2.410 -13.290   7.691
  510    HB3  LYS  63           1HB      LYS  63   4.064 -12.850   7.275
  511    HG2  LYS  63           2HG      LYS  63   4.355 -12.383   9.786
  512    HG3  LYS  63           1HG      LYS  63   2.872 -13.313   9.986
  513    HD2  LYS  63           2HD      LYS  63   5.236 -14.381   8.454
  514    HD3  LYS  63           1HD      LYS  63   5.092 -14.559  10.205
  515    HE2  LYS  63           2HE      LYS  63   2.975 -15.740   9.920
  516    HE3  LYS  63           1HE      LYS  63   3.081 -15.529   8.172
  517    HZ1  LYS  63           3HZ      LYS  63   4.999 -16.924   8.102
  518    HZ2  LYS  63           1HZ      LYS  63   3.801 -17.743   8.971
  519    HZ3  LYS  63           2HZ      LYS  63   5.085 -17.007   9.790
  520    H    GLU  64           H        GLU  64   0.421 -11.236   7.070
  521    HA   GLU  64           HA       GLU  64  -1.687 -11.046   7.851
  522    HB2  GLU  64           2HB      GLU  64  -0.561 -11.913  10.516
  523    HB3  GLU  64           1HB      GLU  64  -2.271 -11.780  10.126
  524    HG2  GLU  64           2HG      GLU  64  -1.727 -13.428   8.214
  525    HG3  GLU  64           1HG      GLU  64  -0.256 -13.762   9.131
  526    H    SER  65           H        SER  65   0.260  -8.647   8.203
  527    HA   SER  65           HA       SER  65  -1.019  -7.078  10.292
  528    HB2  SER  65           2HB      SER  65   0.910  -6.411   8.061
  529    HB3  SER  65           1HB      SER  65   0.227  -5.176   9.117
  530    HG   SER  65           HG       SER  65   1.866  -5.689  10.346
  531    H    THR  66           H        THR  66  -2.413  -5.261   9.934
  532    HA   THR  66           HA       THR  66  -4.083  -5.457   7.497
  533    HB   THR  66           HB       THR  66  -4.836  -4.345  10.204
  534    HG1  THR  66           1HG      THR  66  -5.260  -6.961   9.168
  535   HG21  THR  66          3HG2      THR  66  -7.157  -5.068   9.313
  536   HG22  THR  66          1HG2      THR  66  -6.390  -4.981   7.727
  537   HG23  THR  66          2HG2      THR  66  -6.456  -3.549   8.753
  538    H    LEU  67           H        LEU  67  -4.021  -3.761   6.130
  539    HA   LEU  67           HA       LEU  67  -3.068  -1.123   7.036
  540    HB2  LEU  67           2HB      LEU  67  -3.282  -2.096   4.176
  541    HB3  LEU  67           1HB      LEU  67  -2.516  -0.630   4.757
  542    HG   LEU  67           HG       LEU  67  -0.943  -2.382   6.038
  543   HD11  LEU  67          1HD1      LEU  67  -0.498  -4.330   4.602
  544   HD12  LEU  67          2HD1      LEU  67  -1.980  -3.967   3.719
  545   HD13  LEU  67          3HD1      LEU  67  -2.053  -4.385   5.429
  546   HD21  LEU  67          3HD2      LEU  67  -0.062  -0.758   4.531
  547   HD22  LEU  67          1HD2      LEU  67  -0.726  -1.614   3.139
  548   HD23  LEU  67          2HD2      LEU  67   0.583  -2.335   4.076
  549    H    HIS  68           H        HIS  68  -4.277   0.739   6.223
  550    HA   HIS  68           HA       HIS  68  -7.111   0.134   5.631
  551    HB2  HIS  68           2HB      HIS  68  -5.833   2.470   7.073
  552    HB3  HIS  68           1HB      HIS  68  -7.536   2.399   6.653
  553    HD1  HIS  68           1HD      HIS  68  -4.975   0.775   8.881
  554    HD2  HIS  68           2HD      HIS  68  -9.100   0.915   8.407
  555    HE1  HIS  68           1HE      HIS  68  -5.919  -0.365  10.909
  556    H    LEU  69           H        LEU  69  -8.036   0.961   3.810
  557    HA   LEU  69           HA       LEU  69  -6.375   2.706   2.085
  558    HB2  LEU  69           2HB      LEU  69  -7.045   0.465   1.198
  559    HB3  LEU  69           1HB      LEU  69  -8.723   0.931   1.378
  560    HG   LEU  69           HG       LEU  69  -8.298   2.758  -0.282
  561   HD11  LEU  69          1HD1      LEU  69  -5.684   1.321  -0.674
  562   HD12  LEU  69          2HD1      LEU  69  -5.883   2.943  -0.010
  563   HD13  LEU  69          3HD1      LEU  69  -6.316   2.619  -1.688
  564   HD21  LEU  69          3HD2      LEU  69  -8.282   1.267  -2.234
  565   HD22  LEU  69          1HD2      LEU  69  -9.366   0.698  -0.964
  566   HD23  LEU  69          2HD2      LEU  69  -7.792  -0.066  -1.188
  567    H    VAL  70           H        VAL  70  -7.072   4.769   1.686
  568    HA   VAL  70           HA       VAL  70  -9.843   5.510   2.258
  569    HB   VAL  70           HB       VAL  70  -7.220   6.826   2.867
  570   HG11  VAL  70          1HG1      VAL  70  -9.821   8.372   2.703
  571   HG12  VAL  70          2HG1      VAL  70  -8.375   8.657   1.734
  572   HG13  VAL  70          3HG1      VAL  70  -8.350   8.973   3.469
  573   HG21  VAL  70          3HG2      VAL  70  -8.276   5.474   4.545
  574   HG22  VAL  70          1HG2      VAL  70  -9.669   6.558   4.543
  575   HG23  VAL  70          2HG2      VAL  70  -8.087   7.152   5.054
  576    H    LEU  71           H        LEU  71 -10.882   6.573   0.581
  577    HA   LEU  71           HA       LEU  71  -9.407   6.820  -1.947
  578    HB2  LEU  71           2HB      LEU  71 -12.384   6.825  -1.437
  579    HB3  LEU  71           1HB      LEU  71 -11.620   6.863  -3.016
  580    HG   LEU  71           HG       LEU  71 -11.249   4.578  -1.081
  581   HD11  LEU  71          1HD1      LEU  71 -12.931   3.357  -2.298
  582   HD12  LEU  71          2HD1      LEU  71 -13.197   4.726  -3.378
  583   HD13  LEU  71          3HD1      LEU  71 -13.636   4.848  -1.674
  584   HD21  LEU  71          3HD2      LEU  71 -10.785   4.819  -4.053
  585   HD22  LEU  71          1HD2      LEU  71 -10.536   3.369  -3.080
  586   HD23  LEU  71          2HD2      LEU  71  -9.536   4.797  -2.808
  587    H    ARG  72           H        ARG  72  -8.994   8.712  -2.921
  588    HA   ARG  72           HA       ARG  72  -9.908  11.191  -1.640
  589    HB2  ARG  72           2HB      ARG  72  -7.453  10.683  -2.132
  590    HB3  ARG  72           1HB      ARG  72  -7.847  10.933  -3.828
  591    HG2  ARG  72           2HG      ARG  72  -8.716  13.211  -3.153
  592    HG3  ARG  72           1HG      ARG  72  -7.969  12.926  -1.581
  593    HD2  ARG  72           2HD      ARG  72  -6.353  14.122  -2.758
  594    HD3  ARG  72           1HD      ARG  72  -5.822  12.447  -2.906
  595    HE   ARG  72           HE       ARG  72  -6.161  12.571  -5.159
  596   HH11  ARG  72          1HH1      ARG  72  -7.874  15.342  -3.747
  597   HH12  ARG  72          2HH1      ARG  72  -8.228  16.029  -5.293
  598   HH21  ARG  72          1HH2      ARG  72  -6.655  13.529  -7.147
  599   HH22  ARG  72          2HH2      ARG  72  -7.547  15.013  -7.203
  600    H    LEU  73           H        LEU  73 -11.949  11.639  -2.419
  601    HA   LEU  73           HA       LEU  73 -12.165  12.549  -5.150
  602    HB2  LEU  73           2HB      LEU  73 -12.594   9.966  -5.050
  603    HB3  LEU  73           1HB      LEU  73 -14.155  10.418  -4.402
  604    HG   LEU  73           HG       LEU  73 -14.278   9.967  -6.796
  605   HD11  LEU  73          1HD1      LEU  73 -15.484  11.899  -7.489
  606   HD12  LEU  73          2HD1      LEU  73 -14.629  12.917  -6.330
  607   HD13  LEU  73          3HD1      LEU  73 -15.750  11.682  -5.759
  608   HD21  LEU  73          3HD2      LEU  73 -12.506  12.348  -7.281
  609   HD22  LEU  73          1HD2      LEU  73 -13.111  11.176  -8.451
  610   HD23  LEU  73          2HD2      LEU  73 -11.902  10.692  -7.263
  611    H    ARG  74           H        ARG  74 -13.150  14.474  -4.896
  612    HA   ARG  74           HA       ARG  74 -15.704  14.651  -3.511
  613    HB2  ARG  74           2HB      ARG  74 -13.299  16.246  -2.608
  614    HB3  ARG  74           1HB      ARG  74 -14.956  16.598  -2.134
  615    HG2  ARG  74           2HG      ARG  74 -15.070  14.282  -1.175
  616    HG3  ARG  74           1HG      ARG  74 -13.336  14.152  -1.472
  617    HD2  ARG  74           2HD      ARG  74 -13.059  16.249  -0.106
  618    HD3  ARG  74           1HD      ARG  74 -14.758  16.092   0.340
  619    HE   ARG  74           HE       ARG  74 -14.210  14.373   1.750
  620   HH11  ARG  74          1HH1      ARG  74 -11.365  14.960  -0.291
  621   HH12  ARG  74          2HH1      ARG  74 -10.360  13.911   0.647
  622   HH21  ARG  74          1HH2      ARG  74 -12.841  13.015   2.930
  623   HH22  ARG  74          2HH2      ARG  74 -11.185  12.820   2.456
  624    H    GLY  75           H        GLY  75 -16.672  16.913  -3.715
  625    HA2  GLY  75           2HA      GLY  75 -17.146  18.830  -4.913
  626    HA3  GLY  75           1HA      GLY  75 -15.612  18.656  -5.750
  627    H    GLY  76           H        GLY  76 -17.956  19.482  -7.069
  628    HA2  GLY  76           2HA      GLY  76 -17.988  18.047  -9.394
  629    HA3  GLY  76           1HA      GLY  76 -19.198  17.242  -8.407
  Start of MODEL   19
    1    H1   MET   1           1HT      MET   1   4.479 -13.658   1.070
    2    H2   MET   1           2HT      MET   1   5.844 -13.450   2.088
    3    H3   MET   1           3HT      MET   1   5.066 -12.087   1.399
    4    HA   MET   1           HA       MET   1   3.904 -13.969   3.316
    5    HB2  MET   1           2HB      MET   1   4.036 -12.038   4.889
    6    HB3  MET   1           1HB      MET   1   5.608 -12.604   4.372
    7    HG2  MET   1           2HG      MET   1   5.794 -10.731   2.827
    8    HG3  MET   1           1HG      MET   1   4.183 -10.187   3.294
    9    HE1  MET   1           2HE      MET   1   5.164  -7.511   5.553
   10    HE2  MET   1           3HE      MET   1   4.072  -8.216   4.361
   11    HE3  MET   1           1HE      MET   1   5.664  -7.638   3.866
   12    H    GLN   2           H        GLN   2   1.782 -13.404   4.058
   13    HA   GLN   2           HA       GLN   2   0.151 -11.968   2.068
   14    HB2  GLN   2           2HB      GLN   2  -0.602 -13.796   4.356
   15    HB3  GLN   2           1HB      GLN   2  -1.756 -13.015   3.284
   16    HG2  GLN   2           2HG      GLN   2  -0.798 -14.205   1.380
   17    HG3  GLN   2           1HG      GLN   2   0.364 -14.984   2.453
   18   HE21  GLN   2          1HE2      GLN   2  -2.374 -15.588   0.799
   19   HE22  GLN   2          2HE2      GLN   2  -3.099 -16.760   1.840
   20    H    ILE   3           H        ILE   3  -1.137 -10.224   2.543
   21    HA   ILE   3           HA       ILE   3  -1.103  -9.112   5.260
   22    HB   ILE   3           HB       ILE   3  -0.781  -6.845   4.413
   23   HG12  ILE   3          2HG1      ILE   3   0.117  -8.002   1.760
   24   HG13  ILE   3          1HG1      ILE   3  -1.529  -7.426   1.996
   25   HG21  ILE   3          1HG2      ILE   3   1.641  -7.062   3.901
   26   HG22  ILE   3          2HG2      ILE   3   1.411  -8.806   3.755
   27   HG23  ILE   3          3HG2      ILE   3   1.111  -8.002   5.296
   28   HD11  ILE   3          3HD1      ILE   3   0.159  -5.827   0.959
   29   HD12  ILE   3          1HD1      ILE   3   0.829  -5.684   2.585
   30   HD13  ILE   3          2HD1      ILE   3  -0.845  -5.221   2.277
   31    H    PHE   4           H        PHE   4  -2.966  -7.400   5.525
   32    HA   PHE   4           HA       PHE   4  -5.235  -8.041   3.744
   33    HB2  PHE   4           2HB      PHE   4  -5.236  -7.602   6.741
   34    HB3  PHE   4           1HB      PHE   4  -6.667  -7.809   5.756
   35    HD1  PHE   4           1HD      PHE   4  -7.183  -9.985   4.731
   36    HD2  PHE   4           2HD      PHE   4  -3.874  -9.489   7.365
   37    HE1  PHE   4           1HE      PHE   4  -7.043 -12.425   5.011
   38    HE2  PHE   4           2HE      PHE   4  -3.730 -11.928   7.649
   39    HZ   PHE   4           HZ       PHE   4  -5.315 -13.400   6.470
   40    H    VAL   5           H        VAL   5  -6.493  -6.322   3.046
   41    HA   VAL   5           HA       VAL   5  -5.814  -3.619   4.080
   42    HB   VAL   5           HB       VAL   5  -6.674  -4.234   1.232
   43   HG11  VAL   5          1HG1      VAL   5  -7.354  -1.991   1.988
   44   HG12  VAL   5          2HG1      VAL   5  -6.071  -1.882   0.786
   45   HG13  VAL   5          3HG1      VAL   5  -5.699  -1.654   2.494
   46   HG21  VAL   5          3HG2      VAL   5  -3.945  -3.549   2.345
   47   HG22  VAL   5          1HG2      VAL   5  -4.356  -3.556   0.625
   48   HG23  VAL   5          2HG2      VAL   5  -4.422  -5.054   1.554
   49    H    LYS   6           H        LYS   6  -7.530  -2.585   5.018
   50    HA   LYS   6           HA       LYS   6 -10.250  -3.640   4.567
   51    HB2  LYS   6           2HB      LYS   6  -8.856  -2.486   6.921
   52    HB3  LYS   6           1HB      LYS   6 -10.535  -1.984   6.728
   53    HG2  LYS   6           2HG      LYS   6 -10.878  -4.611   6.409
   54    HG3  LYS   6           1HG      LYS   6  -9.390  -4.668   7.350
   55    HD2  LYS   6           2HD      LYS   6 -10.440  -3.389   9.125
   56    HD3  LYS   6           1HD      LYS   6 -11.910  -3.233   8.161
   57    HE2  LYS   6           2HE      LYS   6 -10.772  -5.898   8.966
   58    HE3  LYS   6           1HE      LYS   6 -11.917  -5.012   9.970
   59    HZ1  LYS   6           3HZ      LYS   6 -13.532  -5.103   8.220
   60    HZ2  LYS   6           1HZ      LYS   6 -12.975  -6.673   8.517
   61    HZ3  LYS   6           2HZ      LYS   6 -12.429  -5.824   7.161
   62    H    THR   7           H        THR   7 -11.879  -2.383   3.765
   63    HA   THR   7           HA       THR   7 -11.157   0.307   2.843
   64    HB   THR   7           HB       THR   7 -12.845   0.110   1.164
   65    HG1  THR   7           1HG      THR   7 -14.473  -1.264   1.239
   66   HG21  THR   7          3HG2      THR   7 -12.245  -1.782  -0.126
   67   HG22  THR   7          1HG2      THR   7 -11.649  -2.638   1.297
   68   HG23  THR   7          2HG2      THR   7 -10.801  -1.208   0.708
   69    H    LEU   8           H        LEU   8 -12.828   2.017   2.852
   70    HA   LEU   8           HA       LEU   8 -13.869   2.374   5.451
   71    HB2  LEU   8           2HB      LEU   8 -14.625   3.887   2.961
   72    HB3  LEU   8           1HB      LEU   8 -14.968   4.406   4.600
   73    HG   LEU   8           HG       LEU   8 -12.181   3.930   3.587
   74   HD11  LEU   8          1HD1      LEU   8 -11.972   6.340   3.316
   75   HD12  LEU   8          2HD1      LEU   8 -13.671   6.545   3.740
   76   HD13  LEU   8          3HD1      LEU   8 -13.227   5.696   2.259
   77   HD21  LEU   8          3HD2      LEU   8 -11.530   5.275   5.521
   78   HD22  LEU   8          1HD2      LEU   8 -12.446   3.851   6.013
   79   HD23  LEU   8          2HD2      LEU   8 -13.224   5.434   5.984
   80    H    THR   9           H        THR   9 -15.326   0.551   3.015
   81    HA   THR   9           HA       THR   9 -18.088   0.951   3.974
   82    HB   THR   9           HB       THR   9 -18.836  -0.288   2.003
   83    HG1  THR   9           1HG      THR   9 -17.496  -1.336   0.719
   84   HG21  THR   9          3HG2      THR   9 -16.904   1.936   1.488
   85   HG22  THR   9          1HG2      THR   9 -18.664   1.931   1.360
   86   HG23  THR   9          2HG2      THR   9 -17.689   1.093   0.152
   87    H    GLY  10           H        GLY  10 -15.525  -1.263   4.546
   88    HA2  GLY  10           2HA      GLY  10 -15.906  -2.794   6.381
   89    HA3  GLY  10           1HA      GLY  10 -17.472  -3.175   5.702
   90    H    LYS  11           H        LYS  11 -14.893  -2.940   3.412
   91    HA   LYS  11           HA       LYS  11 -15.004  -5.841   3.110
   92    HB2  LYS  11           2HB      LYS  11 -15.498  -4.234   1.190
   93    HB3  LYS  11           1HB      LYS  11 -13.766  -3.973   1.092
   94    HG2  LYS  11           2HG      LYS  11 -13.403  -6.309   0.604
   95    HG3  LYS  11           1HG      LYS  11 -15.118  -6.654   0.835
   96    HD2  LYS  11           2HD      LYS  11 -15.663  -5.177  -1.048
   97    HD3  LYS  11           1HD      LYS  11 -13.946  -4.844  -1.278
   98    HE2  LYS  11           2HE      LYS  11 -13.510  -7.115  -1.874
   99    HE3  LYS  11           1HE      LYS  11 -15.135  -7.609  -1.402
  100    HZ1  LYS  11           3HZ      LYS  11 -14.805  -7.367  -3.833
  101    HZ2  LYS  11           1HZ      LYS  11 -14.561  -5.708  -3.608
  102    HZ3  LYS  11           2HZ      LYS  11 -16.053  -6.403  -3.222
  103    H    THR  12           H        THR  12 -13.230  -7.211   3.219
  104    HA   THR  12           HA       THR  12 -10.593  -5.983   3.798
  105    HB   THR  12           HB       THR  12 -11.544  -8.733   4.669
  106    HG1  THR  12           1HG      THR  12 -12.709  -7.559   5.988
  107   HG21  THR  12          3HG2      THR  12  -9.664  -8.899   6.022
  108   HG22  THR  12          1HG2      THR  12  -9.355  -7.163   5.978
  109   HG23  THR  12          2HG2      THR  12  -9.019  -8.155   4.559
  110    H    ILE  13           H        ILE  13  -9.081  -6.345   2.256
  111    HA   ILE  13           HA       ILE  13  -9.485  -8.557   0.326
  112    HB   ILE  13           HB       ILE  13  -7.581  -6.252  -0.203
  113   HG12  ILE  13          2HG1      ILE  13 -10.456  -6.226  -1.152
  114   HG13  ILE  13          1HG1      ILE  13  -9.916  -5.331   0.262
  115   HG21  ILE  13          1HG2      ILE  13  -9.160  -7.955  -2.124
  116   HG22  ILE  13          2HG2      ILE  13  -7.544  -8.365  -1.549
  117   HG23  ILE  13          3HG2      ILE  13  -7.799  -6.894  -2.485
  118   HD11  ILE  13          3HD1      ILE  13 -10.067  -3.964  -1.785
  119   HD12  ILE  13          1HD1      ILE  13  -8.800  -4.958  -2.502
  120   HD13  ILE  13          2HD1      ILE  13  -8.455  -3.986  -1.071
  121    H    THR  14           H        THR  14  -7.832 -10.073   0.030
  122    HA   THR  14           HA       THR  14  -5.541  -9.888   1.876
  123    HB   THR  14           HB       THR  14  -6.470 -12.367   0.409
  124    HG1  THR  14           1HG      THR  14  -8.199 -12.093   1.614
  125   HG21  THR  14          3HG2      THR  14  -5.377 -13.574   2.181
  126   HG22  THR  14          1HG2      THR  14  -4.960 -12.065   2.994
  127   HG23  THR  14          2HG2      THR  14  -4.237 -12.454   1.432
  128    H    LEU  15           H        LEU  15  -3.519  -9.656   1.063
  129    HA   LEU  15           HA       LEU  15  -3.156 -10.043  -1.850
  130    HB2  LEU  15           2HB      LEU  15  -1.937  -7.851  -0.167
  131    HB3  LEU  15           1HB      LEU  15  -1.652  -8.106  -1.878
  132    HG   LEU  15           HG       LEU  15  -4.366  -7.455  -0.725
  133   HD11  LEU  15          1HD1      LEU  15  -2.331  -5.610  -1.965
  134   HD12  LEU  15          2HD1      LEU  15  -2.862  -5.608  -0.283
  135   HD13  LEU  15          3HD1      LEU  15  -3.994  -5.180  -1.566
  136   HD21  LEU  15          3HD2      LEU  15  -4.349  -8.603  -2.911
  137   HD22  LEU  15          1HD2      LEU  15  -3.331  -7.316  -3.556
  138   HD23  LEU  15          2HD2      LEU  15  -4.970  -6.956  -3.013
  139    H    GLU  16           H        GLU  16  -1.201 -10.879  -2.546
  140    HA   GLU  16           HA       GLU  16   0.563 -12.031  -0.479
  141    HB2  GLU  16           2HB      GLU  16  -0.417 -13.519  -2.310
  142    HB3  GLU  16           1HB      GLU  16   0.584 -12.637  -3.454
  143    HG2  GLU  16           2HG      GLU  16   1.768 -14.594  -2.947
  144    HG3  GLU  16           1HG      GLU  16   2.566 -13.310  -2.038
  145    H    VAL  17           H        VAL  17   2.440 -10.914  -0.089
  146    HA   VAL  17           HA       VAL  17   3.620  -9.255  -2.230
  147    HB   VAL  17           HB       VAL  17   3.999  -7.426  -0.581
  148   HG11  VAL  17          1HG1      VAL  17   1.093  -8.110  -0.995
  149   HG12  VAL  17          2HG1      VAL  17   2.150  -7.391  -2.210
  150   HG13  VAL  17          3HG1      VAL  17   1.773  -6.504  -0.733
  151   HG21  VAL  17          3HG2      VAL  17   3.715  -8.832   1.484
  152   HG22  VAL  17          1HG2      VAL  17   1.980  -8.851   1.168
  153   HG23  VAL  17          2HG2      VAL  17   2.799  -7.326   1.504
  154    H    GLU  18           H        GLU  18   5.837  -8.440  -1.611
  155    HA   GLU  18           HA       GLU  18   7.304 -10.309   0.163
  156    HB2  GLU  18           2HB      GLU  18   8.249  -8.958  -2.395
  157    HB3  GLU  18           1HB      GLU  18   9.289  -9.843  -1.297
  158    HG2  GLU  18           2HG      GLU  18   8.804 -11.356  -3.017
  159    HG3  GLU  18           1HG      GLU  18   7.702 -11.816  -1.683
  160    HA   PRO  19           HA       PRO  19   8.178  -6.700   2.610
  161    HB2  PRO  19           2HB      PRO  19  11.000  -7.547   2.975
  162    HB3  PRO  19           1HB      PRO  19   9.739  -7.201   4.168
  163    HG2  PRO  19           2HG      PRO  19  10.486  -9.726   3.607
  164    HG3  PRO  19           1HG      PRO  19   8.811  -9.307   3.999
  165    HD2  PRO  19           2HD      PRO  19  10.029  -9.877   1.309
  166    HD3  PRO  19           1HD      PRO  19   8.435 -10.337   1.958
  167    H    SER  20           H        SER  20  10.404  -7.396  -0.044
  168    HA   SER  20           HA       SER  20  11.540  -4.727  -0.089
  169    HB2  SER  20           2HB      SER  20  12.705  -6.909  -0.793
  170    HB3  SER  20           1HB      SER  20  11.815  -6.742  -2.307
  171    HG   SER  20           HG       SER  20  13.844  -5.139  -1.237
  172    H    ASP  21           H        ASP  21   8.470  -5.751  -1.015
  173    HA   ASP  21           HA       ASP  21   8.246  -4.526  -3.596
  174    HB2  ASP  21           2HB      ASP  21   6.247  -5.523  -1.572
  175    HB3  ASP  21           1HB      ASP  21   5.713  -4.616  -2.978
  176    H    THR  22           H        THR  22   7.481  -2.470  -4.088
  177    HA   THR  22           HA       THR  22   7.697  -0.425  -2.029
  178    HB   THR  22           HB       THR  22   7.495   1.169  -3.859
  179    HG1  THR  22           1HG      THR  22   6.609   0.601  -5.670
  180   HG21  THR  22          3HG2      THR  22   9.465   0.683  -5.127
  181   HG22  THR  22          1HG2      THR  22   9.376  -1.023  -4.693
  182   HG23  THR  22          2HG2      THR  22   9.718   0.186  -3.455
  183    H    ILE  23           H        ILE  23   6.049   1.231  -1.709
  184    HA   ILE  23           HA       ILE  23   3.408   0.247  -1.307
  185    HB   ILE  23           HB       ILE  23   4.462   3.070  -1.387
  186   HG12  ILE  23          2HG1      ILE  23   5.490   1.707   0.327
  187   HG13  ILE  23          1HG1      ILE  23   4.463   2.921   1.066
  188   HG21  ILE  23          1HG2      ILE  23   1.804   2.185  -0.281
  189   HG22  ILE  23          2HG2      ILE  23   2.039   3.133  -1.749
  190   HG23  ILE  23          3HG2      ILE  23   2.483   3.810  -0.183
  191   HD11  ILE  23          3HD1      ILE  23   3.911  -0.023   0.806
  192   HD12  ILE  23          1HD1      ILE  23   2.701   1.154   1.319
  193   HD13  ILE  23          2HD1      ILE  23   4.161   0.913   2.280
  194    H    GLU  24           H        GLU  24   4.764   2.193  -4.010
  195    HA   GLU  24           HA       GLU  24   2.370   2.622  -5.491
  196    HB2  GLU  24           2HB      GLU  24   4.646   3.641  -5.984
  197    HB3  GLU  24           1HB      GLU  24   5.118   2.093  -6.668
  198    HG2  GLU  24           2HG      GLU  24   2.684   3.506  -7.696
  199    HG3  GLU  24           1HG      GLU  24   4.282   4.033  -8.202
  200    H    ASN  25           H        ASN  25   4.531  -0.213  -5.330
  201    HA   ASN  25           HA       ASN  25   3.188  -1.701  -7.414
  202    HB2  ASN  25           2HB      ASN  25   5.568  -2.123  -6.453
  203    HB3  ASN  25           1HB      ASN  25   4.739  -2.982  -5.158
  204   HD21  ASN  25          1HD2      ASN  25   6.446  -3.602  -7.794
  205   HD22  ASN  25          2HD2      ASN  25   5.627  -4.999  -8.391
  206    H    VAL  26           H        VAL  26   2.773  -1.546  -3.889
  207    HA   VAL  26           HA       VAL  26   0.763  -3.598  -3.716
  208    HB   VAL  26           HB       VAL  26   1.283  -1.221  -1.882
  209   HG11  VAL  26          1HG1      VAL  26   0.035  -2.482  -0.163
  210   HG12  VAL  26          2HG1      VAL  26  -0.409  -3.679  -1.380
  211   HG13  VAL  26          3HG1      VAL  26  -0.993  -2.021  -1.520
  212   HG21  VAL  26          3HG2      VAL  26   2.042  -4.095  -1.445
  213   HG22  VAL  26          1HG2      VAL  26   2.545  -2.678  -0.524
  214   HG23  VAL  26          2HG2      VAL  26   3.124  -2.905  -2.172
  215    H    LYS  27           H        LYS  27   0.524  -0.063  -4.303
  216    HA   LYS  27           HA       LYS  27  -2.307   0.060  -4.389
  217    HB2  LYS  27           2HB      LYS  27  -0.278   1.728  -5.914
  218    HB3  LYS  27           1HB      LYS  27  -1.989   2.098  -5.814
  219    HG2  LYS  27           2HG      LYS  27  -1.331   2.055  -3.153
  220    HG3  LYS  27           1HG      LYS  27   0.190   2.635  -3.891
  221    HD2  LYS  27           2HD      LYS  27  -1.310   4.272  -5.159
  222    HD3  LYS  27           1HD      LYS  27  -2.529   3.864  -3.951
  223    HE2  LYS  27           2HE      LYS  27   0.252   4.784  -3.235
  224    HE3  LYS  27           1HE      LYS  27  -1.099   5.896  -3.460
  225    HZ1  LYS  27           3HZ      LYS  27  -0.863   3.749  -1.428
  226    HZ2  LYS  27           1HZ      LYS  27  -2.298   4.596  -1.724
  227    HZ3  LYS  27           2HZ      LYS  27  -0.932   5.417  -1.157
  228    H    ALA  28           H        ALA  28   0.092  -0.701  -6.930
  229    HA   ALA  28           HA       ALA  28  -1.705  -0.770  -9.115
  230    HB1  ALA  28           1HB      ALA  28   0.861  -2.326  -8.790
  231    HB2  ALA  28           2HB      ALA  28   0.699  -0.708  -9.474
  232    HB3  ALA  28           3HB      ALA  28  -0.013  -2.091 -10.305
  233    H    LYS  29           H        LYS  29  -0.784  -3.280  -6.770
  234    HA   LYS  29           HA       LYS  29  -2.241  -5.483  -7.959
  235    HB2  LYS  29           2HB      LYS  29  -1.313  -4.989  -5.119
  236    HB3  LYS  29           1HB      LYS  29  -2.083  -6.476  -5.653
  237    HG2  LYS  29           2HG      LYS  29  -0.268  -7.037  -7.055
  238    HG3  LYS  29           1HG      LYS  29   0.434  -5.424  -6.912
  239    HD2  LYS  29           2HD      LYS  29   1.059  -5.799  -4.651
  240    HD3  LYS  29           1HD      LYS  29   0.088  -7.268  -4.554
  241    HE2  LYS  29           2HE      LYS  29   2.405  -6.997  -6.456
  242    HE3  LYS  29           1HE      LYS  29   2.608  -7.548  -4.794
  243    HZ1  LYS  29           3HZ      LYS  29   0.943  -8.832  -6.889
  244    HZ2  LYS  29           1HZ      LYS  29   0.997  -9.328  -5.272
  245    HZ3  LYS  29           2HZ      LYS  29   2.383  -9.432  -6.235
  246    H    ILE  30           H        ILE  30  -3.143  -2.959  -5.605
  247    HA   ILE  30           HA       ILE  30  -5.783  -4.025  -5.103
  248    HB   ILE  30           HB       ILE  30  -4.617  -1.262  -4.637
  249   HG12  ILE  30          2HG1      ILE  30  -5.371  -3.529  -2.774
  250   HG13  ILE  30          1HG1      ILE  30  -3.740  -3.142  -3.298
  251   HG21  ILE  30          1HG2      ILE  30  -7.398  -2.278  -4.001
  252   HG22  ILE  30          2HG2      ILE  30  -6.956  -0.828  -4.899
  253   HG23  ILE  30          3HG2      ILE  30  -6.670  -0.908  -3.162
  254   HD11  ILE  30          3HD1      ILE  30  -3.703  -2.135  -1.280
  255   HD12  ILE  30          1HD1      ILE  30  -5.446  -1.860  -1.261
  256   HD13  ILE  30          2HD1      ILE  30  -4.392  -0.798  -2.201
  257    H    GLN  31           H        GLN  31  -4.506  -1.664  -7.492
  258    HA   GLN  31           HA       GLN  31  -6.972  -0.882  -8.702
  259    HB2  GLN  31           2HB      GLN  31  -4.781   0.228  -9.158
  260    HB3  GLN  31           1HB      GLN  31  -4.223  -1.231  -9.962
  261    HG2  GLN  31           2HG      GLN  31  -6.205  -0.827 -11.572
  262    HG3  GLN  31           1HG      GLN  31  -6.252   0.790 -10.871
  263   HE21  GLN  31          1HE2      GLN  31  -5.512  -0.321 -13.628
  264   HE22  GLN  31          2HE2      GLN  31  -3.982   0.410 -13.956
  265    H    ASP  32           H        ASP  32  -4.795  -3.619  -9.363
  266    HA   ASP  32           HA       ASP  32  -6.207  -4.704 -11.588
  267    HB2  ASP  32           2HB      ASP  32  -4.548  -6.240  -9.576
  268    HB3  ASP  32           1HB      ASP  32  -4.958  -6.770 -11.211
  269    H    LYS  33           H        LYS  33  -6.544  -5.386  -8.102
  270    HA   LYS  33           HA       LYS  33  -8.551  -7.430  -8.516
  271    HB2  LYS  33           2HB      LYS  33  -7.824  -6.004  -5.953
  272    HB3  LYS  33           1HB      LYS  33  -8.676  -7.526  -6.076
  273    HG2  LYS  33           2HG      LYS  33  -6.202  -7.902  -7.413
  274    HG3  LYS  33           1HG      LYS  33  -5.840  -7.014  -5.937
  275    HD2  LYS  33           2HD      LYS  33  -6.956  -8.729  -4.612
  276    HD3  LYS  33           1HD      LYS  33  -7.392  -9.599  -6.084
  277    HE2  LYS  33           2HE      LYS  33  -5.060  -9.997  -6.582
  278    HE3  LYS  33           1HE      LYS  33  -4.567  -9.020  -5.199
  279    HZ1  LYS  33           3HZ      LYS  33  -5.492 -10.617  -3.713
  280    HZ2  LYS  33           1HZ      LYS  33  -4.502 -11.451  -4.803
  281    HZ3  LYS  33           2HZ      LYS  33  -6.184 -11.499  -4.979
  282    H    GLU  34           H        GLU  34  -8.717  -4.037  -7.403
  283    HA   GLU  34           HA       GLU  34 -11.668  -4.263  -7.388
  284    HB2  GLU  34           2HB      GLU  34  -9.790  -2.574  -5.768
  285    HB3  GLU  34           1HB      GLU  34 -11.539  -2.354  -5.762
  286    HG2  GLU  34           2HG      GLU  34 -10.296  -5.016  -5.238
  287    HG3  GLU  34           1HG      GLU  34 -10.455  -3.820  -3.921
  288    H    GLY  35           H        GLY  35  -9.302  -2.734  -9.307
  289    HA2  GLY  35           2HA      GLY  35  -9.610  -1.329 -11.073
  290    HA3  GLY  35           1HA      GLY  35 -11.307  -1.242 -10.673
  291    H    ILE  36           H        ILE  36  -9.278  -0.275  -8.072
  292    HA   ILE  36           HA       ILE  36 -10.093   2.507  -8.360
  293    HB   ILE  36           HB       ILE  36  -8.349   1.308  -6.182
  294   HG12  ILE  36          2HG1      ILE  36 -11.303   1.757  -5.754
  295   HG13  ILE  36          1HG1      ILE  36 -10.770   0.272  -6.528
  296   HG21  ILE  36          1HG2      ILE  36  -8.416   3.808  -6.410
  297   HG22  ILE  36          2HG2      ILE  36  -8.976   3.205  -4.849
  298   HG23  ILE  36          3HG2      ILE  36 -10.142   3.738  -6.058
  299   HD11  ILE  36          3HD1      ILE  36 -10.998  -0.198  -4.236
  300   HD12  ILE  36          1HD1      ILE  36 -10.095   1.246  -3.776
  301   HD13  ILE  36          2HD1      ILE  36  -9.266  -0.101  -4.557
  302    HA   PRO  37           HA       PRO  37  -6.093   3.354 -10.406
  303    HB2  PRO  37           2HB      PRO  37  -6.761   6.240 -10.098
  304    HB3  PRO  37           1HB      PRO  37  -6.451   5.314 -11.572
  305    HG2  PRO  37           2HG      PRO  37  -8.909   6.155 -10.938
  306    HG3  PRO  37           1HG      PRO  37  -8.637   4.597 -11.737
  307    HD2  PRO  37           2HD      PRO  37  -9.180   5.162  -8.836
  308    HD3  PRO  37           1HD      PRO  37  -9.865   3.905  -9.888
  309    HA   PRO  38           HA       PRO  38  -3.511   3.997  -6.843
  310    HB2  PRO  38           2HB      PRO  38  -1.438   5.164  -8.686
  311    HB3  PRO  38           1HB      PRO  38  -1.294   3.807  -7.561
  312    HG2  PRO  38           2HG      PRO  38  -1.454   3.388 -10.176
  313    HG3  PRO  38           1HG      PRO  38  -2.280   2.314  -9.034
  314    HD2  PRO  38           2HD      PRO  38  -3.410   4.516 -10.727
  315    HD3  PRO  38           1HD      PRO  38  -4.072   2.904 -10.383
  316    H    ASP  39           H        ASP  39  -3.826   6.762  -9.064
  317    HA   ASP  39           HA       ASP  39  -2.786   8.644  -7.235
  318    HB2  ASP  39           2HB      ASP  39  -3.638  10.382  -8.714
  319    HB3  ASP  39           1HB      ASP  39  -2.864   9.115  -9.644
  320    H    GLN  40           H        GLN  40  -5.896   7.101  -7.242
  321    HA   GLN  40           HA       GLN  40  -7.118   9.203  -5.595
  322    HB2  GLN  40           2HB      GLN  40  -8.293   6.759  -6.927
  323    HB3  GLN  40           1HB      GLN  40  -9.198   7.841  -5.881
  324    HG2  GLN  40           2HG      GLN  40  -8.499   9.693  -7.484
  325    HG3  GLN  40           1HG      GLN  40  -8.007   8.395  -8.570
  326   HE21  GLN  40          1HE2      GLN  40  -9.517   8.369 -10.167
  327   HE22  GLN  40          2HE2      GLN  40 -11.222   8.299  -9.893
  328    H    GLN  41           H        GLN  41  -5.239   6.472  -5.058
  329    HA   GLN  41           HA       GLN  41  -6.714   5.502  -2.696
  330    HB2  GLN  41           2HB      GLN  41  -4.507   4.391  -4.399
  331    HB3  GLN  41           1HB      GLN  41  -4.881   3.692  -2.829
  332    HG2  GLN  41           2HG      GLN  41  -7.248   3.436  -3.648
  333    HG3  GLN  41           1HG      GLN  41  -6.648   3.862  -5.249
  334   HE21  GLN  41          1HE2      GLN  41  -6.090   2.181  -6.519
  335   HE22  GLN  41          2HE2      GLN  41  -5.617   0.622  -5.946
  336    H    ARG  42           H        ARG  42  -6.027   5.757  -0.622
  337    HA   ARG  42           HA       ARG  42  -3.298   6.723  -0.149
  338    HB2  ARG  42           2HB      ARG  42  -5.797   7.490   1.396
  339    HB3  ARG  42           1HB      ARG  42  -4.161   7.919   1.875
  340    HG2  ARG  42           2HG      ARG  42  -3.921   9.209  -0.209
  341    HG3  ARG  42           1HG      ARG  42  -5.597   8.827  -0.607
  342    HD2  ARG  42           2HD      ARG  42  -6.418  10.052   1.241
  343    HD3  ARG  42           1HD      ARG  42  -4.814  10.185   1.962
  344    HE   ARG  42           HE       ARG  42  -4.499  11.491  -0.376
  345   HH11  ARG  42          1HH1      ARG  42  -6.977  11.884   2.141
  346   HH12  ARG  42          2HH1      ARG  42  -7.196  13.561   1.789
  347   HH21  ARG  42          1HH2      ARG  42  -4.841  13.683  -0.780
  348   HH22  ARG  42          2HH2      ARG  42  -5.997  14.574   0.153
  349    H    LEU  43           H        LEU  43  -2.134   5.371   1.193
  350    HA   LEU  43           HA       LEU  43  -3.632   3.235   2.591
  351    HB2  LEU  43           2HB      LEU  43  -0.806   3.273   1.508
  352    HB3  LEU  43           1HB      LEU  43  -1.524   1.976   2.452
  353    HG   LEU  43           HG       LEU  43  -2.589   2.868  -0.231
  354   HD11  LEU  43          1HD1      LEU  43  -0.835   0.494   0.380
  355   HD12  LEU  43          2HD1      LEU  43  -0.293   1.975  -0.408
  356   HD13  LEU  43          3HD1      LEU  43  -1.493   0.949  -1.192
  357   HD21  LEU  43          3HD2      LEU  43  -3.720   0.666  -0.164
  358   HD22  LEU  43          1HD2      LEU  43  -4.255   1.754   1.116
  359   HD23  LEU  43          2HD2      LEU  43  -3.132   0.446   1.484
  360    H    ILE  44           H        ILE  44  -3.504   3.038   4.741
  361    HA   ILE  44           HA       ILE  44  -1.489   4.604   6.246
  362    HB   ILE  44           HB       ILE  44  -4.465   4.363   6.678
  363   HG12  ILE  44          2HG1      ILE  44  -3.798   6.959   7.169
  364   HG13  ILE  44          1HG1      ILE  44  -2.528   6.560   6.036
  365   HG21  ILE  44          1HG2      ILE  44  -2.416   5.193   8.746
  366   HG22  ILE  44          2HG2      ILE  44  -3.594   3.886   8.869
  367   HG23  ILE  44          3HG2      ILE  44  -4.138   5.563   8.862
  368   HD11  ILE  44          3HD1      ILE  44  -5.337   7.064   5.554
  369   HD12  ILE  44          1HD1      ILE  44  -4.758   5.596   4.762
  370   HD13  ILE  44          2HD1      ILE  44  -3.949   7.135   4.465
  371    H    PHE  45           H        PHE  45  -0.448   3.602   7.860
  372    HA   PHE  45           HA       PHE  45  -1.405   1.014   8.873
  373    HB2  PHE  45           2HB      PHE  45   0.326   0.544   7.154
  374    HB3  PHE  45           1HB      PHE  45   1.461   1.568   8.019
  375    HD1  PHE  45           1HD      PHE  45  -0.773  -1.358   8.679
  376    HD2  PHE  45           2HD      PHE  45   3.000   0.483   9.396
  377    HE1  PHE  45           1HE      PHE  45  -0.078  -3.301  10.015
  378    HE2  PHE  45           2HE      PHE  45   3.699  -1.462  10.729
  379    HZ   PHE  45           HZ       PHE  45   2.160  -3.355  11.043
  380    H    ALA  46           H        ALA  46  -1.455   1.084  11.124
  381    HA   ALA  46           HA       ALA  46  -1.268   1.944  13.241
  382    HB1  ALA  46           1HB      ALA  46   0.949   1.966  14.115
  383    HB2  ALA  46           2HB      ALA  46   1.641   2.253  12.517
  384    HB3  ALA  46           3HB      ALA  46   0.874   0.706  12.882
  385    H    GLY  47           H        GLY  47  -2.315   3.880  11.636
  386    HA2  GLY  47           2HA      GLY  47  -2.874   6.091  11.764
  387    HA3  GLY  47           1HA      GLY  47  -1.710   6.266  13.055
  388    H    LYS  48           H        LYS  48  -0.004   5.088  10.379
  389    HA   LYS  48           HA       LYS  48   0.810   7.826   9.596
  390    HB2  LYS  48           2HB      LYS  48   2.477   5.345   9.214
  391    HB3  LYS  48           1HB      LYS  48   3.010   7.009   9.146
  392    HG2  LYS  48           2HG      LYS  48   2.734   7.249  11.540
  393    HG3  LYS  48           1HG      LYS  48   2.070   5.619  11.649
  394    HD2  LYS  48           2HD      LYS  48   4.224   4.745  10.766
  395    HD3  LYS  48           1HD      LYS  48   4.872   6.385  10.837
  396    HE2  LYS  48           2HE      LYS  48   4.521   6.446  13.239
  397    HE3  LYS  48           1HE      LYS  48   3.784   4.845  13.191
  398    HZ1  LYS  48           3HZ      LYS  48   5.932   3.996  12.334
  399    HZ2  LYS  48           1HZ      LYS  48   6.034   4.625  13.902
  400    HZ3  LYS  48           2HZ      LYS  48   6.609   5.524  12.589
  401    H    GLN  49           H        GLN  49   0.833   8.476   7.468
  402    HA   GLN  49           HA       GLN  49  -0.479   6.765   5.506
  403    HB2  GLN  49           2HB      GLN  49   0.645   9.572   5.357
  404    HB3  GLN  49           1HB      GLN  49  -0.031   8.742   3.962
  405    HG2  GLN  49           2HG      GLN  49  -2.180   8.688   4.891
  406    HG3  GLN  49           1HG      GLN  49  -1.587   9.117   6.495
  407   HE21  GLN  49          1HE2      GLN  49  -3.177  10.309   3.840
  408   HE22  GLN  49          2HE2      GLN  49  -2.835  11.989   4.053
  409    H    LEU  50           H        LEU  50   0.600   5.489   4.017
  410    HA   LEU  50           HA       LEU  50   3.498   5.330   4.144
  411    HB2  LEU  50           2HB      LEU  50   1.663   3.679   2.416
  412    HB3  LEU  50           1HB      LEU  50   3.312   3.322   2.870
  413    HG   LEU  50           HG       LEU  50   0.974   3.417   4.777
  414   HD11  LEU  50          1HD1      LEU  50   1.097   0.995   4.819
  415   HD12  LEU  50          2HD1      LEU  50   2.414   1.023   3.647
  416   HD13  LEU  50          3HD1      LEU  50   0.804   1.567   3.177
  417   HD21  LEU  50          3HD2      LEU  50   2.426   2.568   6.450
  418   HD22  LEU  50          1HD2      LEU  50   3.278   3.920   5.710
  419   HD23  LEU  50          2HD2      LEU  50   3.713   2.265   5.285
  420    H    GLU  51           H        GLU  51   4.965   5.946   2.578
  421    HA   GLU  51           HA       GLU  51   3.955   7.543   0.339
  422    HB2  GLU  51           2HB      GLU  51   6.732   7.142   1.472
  423    HB3  GLU  51           1HB      GLU  51   6.413   8.095   0.027
  424    HG2  GLU  51           2HG      GLU  51   5.306   9.754   1.184
  425    HG3  GLU  51           1HG      GLU  51   5.001   8.733   2.589
  426    H    ASP  52           H        ASP  52   4.317   7.205  -1.834
  427    HA   ASP  52           HA       ASP  52   4.356   4.543  -2.720
  428    HB2  ASP  52           2HB      ASP  52   4.667   7.113  -4.270
  429    HB3  ASP  52           1HB      ASP  52   4.506   5.525  -5.017
  430    H    GLY  53           H        GLY  53   7.069   6.765  -2.366
  431    HA2  GLY  53           2HA      GLY  53   8.842   5.118  -3.984
  432    HA3  GLY  53           1HA      GLY  53   9.281   6.553  -3.082
  433    H    ARG  54           H        ARG  54   7.694   4.603  -0.857
  434    HA   ARG  54           HA       ARG  54  10.257   3.453   0.098
  435    HB2  ARG  54           2HB      ARG  54   7.700   4.008   1.627
  436    HB3  ARG  54           1HB      ARG  54   9.159   3.322   2.310
  437    HG2  ARG  54           2HG      ARG  54   8.771   6.136   1.289
  438    HG3  ARG  54           1HG      ARG  54   9.005   5.608   2.942
  439    HD2  ARG  54           2HD      ARG  54  11.274   4.887   2.435
  440    HD3  ARG  54           1HD      ARG  54  11.061   5.341   0.747
  441    HE   ARG  54           HE       ARG  54  10.575   7.666   1.995
  442   HH11  ARG  54          1HH1      ARG  54  13.305   5.427   2.401
  443   HH12  ARG  54          2HH1      ARG  54  14.384   6.688   2.879
  444   HH21  ARG  54          1HH2      ARG  54  12.042   9.259   2.624
  445   HH22  ARG  54          2HH2      ARG  54  13.679   8.839   3.005
  446    H    THR  55           H        THR  55  10.084   1.361   1.319
  447    HA   THR  55           HA       THR  55   8.302  -0.537  -0.108
  448    HB   THR  55           HB       THR  55   9.848  -2.295   0.490
  449    HG1  THR  55           1HG      THR  55  10.889  -1.877   2.294
  450   HG21  THR  55          3HG2      THR  55  10.351  -0.772  -1.513
  451   HG22  THR  55          1HG2      THR  55  11.605  -1.871  -0.938
  452   HG23  THR  55          2HG2      THR  55  11.670  -0.158  -0.516
  453    H    LEU  56           H        LEU  56   7.618  -2.464   1.111
  454    HA   LEU  56           HA       LEU  56   6.127  -1.863   3.432
  455    HB2  LEU  56           2HB      LEU  56   7.033  -4.559   2.426
  456    HB3  LEU  56           1HB      LEU  56   5.801  -4.300   3.651
  457    HG   LEU  56           HG       LEU  56   5.600  -3.402   0.772
  458   HD11  LEU  56          1HD1      LEU  56   4.213  -5.694   2.148
  459   HD12  LEU  56          2HD1      LEU  56   5.597  -5.858   1.067
  460   HD13  LEU  56          3HD1      LEU  56   4.071  -5.224   0.453
  461   HD21  LEU  56          3HD2      LEU  56   3.155  -3.157   1.419
  462   HD22  LEU  56          1HD2      LEU  56   4.254  -1.957   2.096
  463   HD23  LEU  56          2HD2      LEU  56   3.681  -3.290   3.096
  464    H    SER  57           H        SER  57   9.379  -3.290   3.206
  465    HA   SER  57           HA       SER  57   9.579  -4.033   5.955
  466    HB2  SER  57           2HB      SER  57  11.965  -4.296   5.602
  467    HB3  SER  57           1HB      SER  57  11.051  -5.042   4.263
  468    HG   SER  57           HG       SER  57  12.623  -2.712   4.293
  469    H    ASP  58           H        ASP  58  10.227  -0.999   4.239
  470    HA   ASP  58           HA       ASP  58  11.770   0.299   6.228
  471    HB2  ASP  58           2HB      ASP  58   9.874   1.504   4.196
  472    HB3  ASP  58           1HB      ASP  58  10.999   2.432   5.174
  473    H    TYR  59           H        TYR  59   8.295  -0.233   6.041
  474    HA   TYR  59           HA       TYR  59   7.815   1.479   8.392
  475    HB2  TYR  59           2HB      TYR  59   5.959   0.156   6.394
  476    HB3  TYR  59           1HB      TYR  59   5.371   0.918   7.870
  477    HD1  TYR  59           1HD      TYR  59   5.733   3.365   8.220
  478    HD2  TYR  59           2HD      TYR  59   6.559   1.482   4.494
  479    HE1  TYR  59           1HE      TYR  59   5.721   5.561   7.115
  480    HE2  TYR  59           2HE      TYR  59   6.548   3.673   3.378
  481    HH   TYR  59           HH       TYR  59   5.262   6.380   4.633
  482    H    ASN  60           H        ASN  60   8.953  -1.541   8.149
  483    HA   ASN  60           HA       ASN  60   8.936  -3.438   9.335
  484    HB2  ASN  60           2HB      ASN  60   7.922  -1.496  11.413
  485    HB3  ASN  60           1HB      ASN  60   8.267  -3.179  11.799
  486   HD21  ASN  60          1HD2      ASN  60   9.639  -0.064  11.004
  487   HD22  ASN  60          2HD2      ASN  60  11.280  -0.503  11.313
  488    H    ILE  61           H        ILE  61   6.750  -3.243   7.587
  489    HA   ILE  61           HA       ILE  61   4.391  -4.222   8.991
  490    HB   ILE  61           HB       ILE  61   4.910  -3.954   6.004
  491   HG12  ILE  61          2HG1      ILE  61   3.147  -2.251   7.779
  492   HG13  ILE  61          1HG1      ILE  61   4.804  -1.820   7.388
  493   HG21  ILE  61          1HG2      ILE  61   2.434  -4.192   5.780
  494   HG22  ILE  61          2HG2      ILE  61   2.356  -4.611   7.491
  495   HG23  ILE  61          3HG2      ILE  61   3.225  -5.656   6.367
  496   HD11  ILE  61          3HD1      ILE  61   3.377  -0.588   5.950
  497   HD12  ILE  61          1HD1      ILE  61   2.485  -2.038   5.491
  498   HD13  ILE  61          2HD1      ILE  61   4.159  -1.833   4.976
  499    H    GLN  62           H        GLN  62   4.072  -6.301   9.496
  500    HA   GLN  62           HA       GLN  62   5.817  -8.402   8.339
  501    HB2  GLN  62           2HB      GLN  62   4.474  -8.145  11.039
  502    HB3  GLN  62           1HB      GLN  62   5.367  -9.562  10.509
  503    HG2  GLN  62           2HG      GLN  62   6.532  -6.801  10.792
  504    HG3  GLN  62           1HG      GLN  62   6.660  -8.082  11.997
  505   HE21  GLN  62          1HE2      GLN  62   7.715 -10.146  11.233
  506   HE22  GLN  62          2HE2      GLN  62   9.029  -9.989  10.125
  507    H    LYS  63           H        LYS  63   4.826 -10.678   8.558
  508    HA   LYS  63           HA       LYS  63   2.650 -10.953   6.892
  509    HB2  LYS  63           2HB      LYS  63   2.427 -13.296   7.673
  510    HB3  LYS  63           1HB      LYS  63   4.082 -12.852   7.269
  511    HG2  LYS  63           2HG      LYS  63   4.362 -12.389   9.779
  512    HG3  LYS  63           1HG      LYS  63   2.875 -13.314   9.974
  513    HD2  LYS  63           2HD      LYS  63   5.242 -14.391   8.455
  514    HD3  LYS  63           1HD      LYS  63   5.086 -14.568  10.205
  515    HE2  LYS  63           2HE      LYS  63   2.968 -15.741   9.908
  516    HE3  LYS  63           1HE      LYS  63   3.084 -15.530   8.161
  517    HZ1  LYS  63           3HZ      LYS  63   4.990 -16.934   8.096
  518    HZ2  LYS  63           1HZ      LYS  63   3.793 -17.747   8.972
  519    HZ3  LYS  63           2HZ      LYS  63   5.082 -17.009   9.783
  520    H    GLU  64           H        GLU  64   0.434 -11.240   7.055
  521    HA   GLU  64           HA       GLU  64  -1.676 -11.050   7.836
  522    HB2  GLU  64           2HB      GLU  64  -0.556 -11.920  10.502
  523    HB3  GLU  64           1HB      GLU  64  -2.265 -11.789  10.105
  524    HG2  GLU  64           2HG      GLU  64  -1.715 -13.435   8.194
  525    HG3  GLU  64           1HG      GLU  64  -0.244 -13.767   9.114
  526    H    SER  65           H        SER  65   0.271  -8.652   8.190
  527    HA   SER  65           HA       SER  65  -1.003  -7.083  10.281
  528    HB2  SER  65           2HB      SER  65   0.922  -6.418   8.046
  529    HB3  SER  65           1HB      SER  65   0.243  -5.184   9.105
  530    HG   SER  65           HG       SER  65   1.817  -5.707  10.402
  531    H    THR  66           H        THR  66  -2.396  -5.265   9.925
  532    HA   THR  66           HA       THR  66  -4.068  -5.458   7.490
  533    HB   THR  66           HB       THR  66  -4.814  -4.350  10.202
  534    HG1  THR  66           1HG      THR  66  -4.630  -6.420  10.671
  535   HG21  THR  66          3HG2      THR  66  -7.133  -4.963   9.377
  536   HG22  THR  66          1HG2      THR  66  -6.418  -5.087   7.770
  537   HG23  THR  66          2HG2      THR  66  -6.380  -3.551   8.635
  538    H    LEU  67           H        LEU  67  -4.009  -3.762   6.121
  539    HA   LEU  67           HA       LEU  67  -3.058  -1.121   7.026
  540    HB2  LEU  67           2HB      LEU  67  -3.277  -2.089   4.165
  541    HB3  LEU  67           1HB      LEU  67  -2.508  -0.625   4.749
  542    HG   LEU  67           HG       LEU  67  -0.932  -2.379   6.021
  543   HD11  LEU  67          1HD1      LEU  67  -2.048  -4.381   5.412
  544   HD12  LEU  67          2HD1      LEU  67  -0.491  -4.327   4.588
  545   HD13  LEU  67          3HD1      LEU  67  -1.971  -3.962   3.701
  546   HD21  LEU  67          3HD2      LEU  67  -0.059  -0.752   4.512
  547   HD22  LEU  67          1HD2      LEU  67  -0.722  -1.613   3.120
  548   HD23  LEU  67          2HD2      LEU  67   0.590  -2.329   4.060
  549    H    HIS  68           H        HIS  68  -4.269   0.739   6.217
  550    HA   HIS  68           HA       HIS  68  -7.103   0.138   5.623
  551    HB2  HIS  68           2HB      HIS  68  -5.825   2.471   7.070
  552    HB3  HIS  68           1HB      HIS  68  -7.528   2.402   6.647
  553    HD1  HIS  68           1HD      HIS  68  -4.973   0.781   8.881
  554    HD2  HIS  68           2HD      HIS  68  -9.096   0.906   8.389
  555    HE1  HIS  68           1HE      HIS  68  -5.921  -0.366  10.902
  556    H    LEU  69           H        LEU  69  -8.028   0.969   3.804
  557    HA   LEU  69           HA       LEU  69  -6.367   2.716   2.081
  558    HB2  LEU  69           2HB      LEU  69  -7.036   0.477   1.191
  559    HB3  LEU  69           1HB      LEU  69  -8.715   0.941   1.371
  560    HG   LEU  69           HG       LEU  69  -8.287   2.773  -0.285
  561   HD11  LEU  69          1HD1      LEU  69  -5.879   2.966  -0.023
  562   HD12  LEU  69          2HD1      LEU  69  -6.302   2.612  -1.699
  563   HD13  LEU  69          3HD1      LEU  69  -5.673   1.334  -0.661
  564   HD21  LEU  69          3HD2      LEU  69  -9.275   0.542  -0.848
  565   HD22  LEU  69          1HD2      LEU  69  -7.665   0.040  -1.367
  566   HD23  LEU  69          2HD2      LEU  69  -8.484   1.367  -2.192
  567    H    VAL  70           H        VAL  70  -7.065   4.781   1.685
  568    HA   VAL  70           HA       VAL  70  -9.833   5.526   2.258
  569    HB   VAL  70           HB       VAL  70  -7.207   6.841   2.860
  570   HG11  VAL  70          1HG1      VAL  70  -8.331   8.988   3.462
  571   HG12  VAL  70          2HG1      VAL  70  -9.810   8.388   2.712
  572   HG13  VAL  70          3HG1      VAL  70  -8.374   8.668   1.728
  573   HG21  VAL  70          3HG2      VAL  70  -9.648   6.596   4.553
  574   HG22  VAL  70          1HG2      VAL  70  -8.047   7.149   5.049
  575   HG23  VAL  70          2HG2      VAL  70  -8.280   5.480   4.533
  576    H    LEU  71           H        LEU  71 -10.856   6.705   0.614
  577    HA   LEU  71           HA       LEU  71  -9.385   6.920  -1.925
  578    HB2  LEU  71           2HB      LEU  71 -12.361   6.924  -1.417
  579    HB3  LEU  71           1HB      LEU  71 -11.598   6.981  -2.995
  580    HG   LEU  71           HG       LEU  71 -11.222   4.675  -1.086
  581   HD11  LEU  71          1HD1      LEU  71 -12.896   3.462  -2.328
  582   HD12  LEU  71          2HD1      LEU  71 -13.179   4.856  -3.372
  583   HD13  LEU  71          3HD1      LEU  71 -13.607   4.933  -1.663
  584   HD21  LEU  71          3HD2      LEU  71 -10.757   4.951  -4.055
  585   HD22  LEU  71          1HD2      LEU  71 -10.508   3.489  -3.100
  586   HD23  LEU  71          2HD2      LEU  71  -9.510   4.913  -2.809
  587    H    ARG  72           H        ARG  72  -8.994   8.806  -2.918
  588    HA   ARG  72           HA       ARG  72  -9.863  11.293  -1.613
  589    HB2  ARG  72           2HB      ARG  72  -7.421  10.740  -2.176
  590    HB3  ARG  72           1HB      ARG  72  -7.860  11.042  -3.852
  591    HG2  ARG  72           2HG      ARG  72  -8.760  13.309  -2.926
  592    HG3  ARG  72           1HG      ARG  72  -7.725  12.947  -1.545
  593    HD2  ARG  72           2HD      ARG  72  -6.846  13.131  -4.422
  594    HD3  ARG  72           1HD      ARG  72  -6.586  14.357  -3.186
  595    HE   ARG  72           HE       ARG  72  -5.481  11.798  -2.476
  596   HH11  ARG  72          1HH1      ARG  72  -4.738  14.758  -4.292
  597   HH12  ARG  72          2HH1      ARG  72  -3.030  14.515  -4.167
  598   HH21  ARG  72          1HH2      ARG  72  -3.240  11.543  -2.354
  599   HH22  ARG  72          2HH2      ARG  72  -2.188  12.711  -3.082
  600    H    LEU  73           H        LEU  73 -11.738  12.136  -2.386
  601    HA   LEU  73           HA       LEU  73 -12.016  12.614  -5.244
  602    HB2  LEU  73           2HB      LEU  73 -13.021  10.299  -4.541
  603    HB3  LEU  73           1HB      LEU  73 -14.342  11.258  -3.905
  604    HG   LEU  73           HG       LEU  73 -13.415  11.437  -6.773
  605   HD11  LEU  73          1HD1      LEU  73 -15.335  10.021  -7.334
  606   HD12  LEU  73          2HD1      LEU  73 -15.647   9.771  -5.616
  607   HD13  LEU  73          3HD1      LEU  73 -14.158   9.164  -6.340
  608   HD21  LEU  73          3HD2      LEU  73 -15.842  12.423  -5.289
  609   HD22  LEU  73          1HD2      LEU  73 -15.749  12.354  -7.050
  610   HD23  LEU  73          2HD2      LEU  73 -14.631  13.376  -6.148
  611    H    ARG  74           H        ARG  74 -12.623  14.686  -5.451
  612    HA   ARG  74           HA       ARG  74 -14.795  15.785  -3.864
  613    HB2  ARG  74           2HB      ARG  74 -11.978  16.857  -3.669
  614    HB3  ARG  74           1HB      ARG  74 -13.392  17.800  -3.217
  615    HG2  ARG  74           2HG      ARG  74 -13.979  15.976  -1.603
  616    HG3  ARG  74           1HG      ARG  74 -12.411  15.250  -1.961
  617    HD2  ARG  74           2HD      ARG  74 -12.713  18.092  -1.014
  618    HD3  ARG  74           1HD      ARG  74 -12.532  16.732   0.092
  619    HE   ARG  74           HE       ARG  74 -10.490  17.935  -1.537
  620   HH11  ARG  74          1HH1      ARG  74 -11.335  14.955   0.196
  621   HH12  ARG  74          2HH1      ARG  74  -9.686  14.448   0.319
  622   HH21  ARG  74          1HH2      ARG  74  -8.355  17.212  -1.341
  623   HH22  ARG  74          2HH2      ARG  74  -8.012  15.714  -0.540
  624    H    GLY  75           H        GLY  75 -15.263  18.135  -4.543
  625    HA2  GLY  75           2HA      GLY  75 -15.534  19.771  -6.152
  626    HA3  GLY  75           1HA      GLY  75 -14.288  18.995  -7.117
  627    H    GLY  76           H        GLY  76 -15.521  19.275  -9.047
  628    HA2  GLY  76           2HA      GLY  76 -17.382  17.114  -9.556
  629    HA3  GLY  76           1HA      GLY  76 -18.123  18.706  -9.595
  Start of MODEL   20
    1    H1   MET   1           1HT      MET   1   5.041 -12.093   1.336
    2    H2   MET   1           2HT      MET   1   4.529 -13.702   1.055
    3    H3   MET   1           3HT      MET   1   5.892 -13.395   2.054
    4    HA   MET   1           HA       MET   1   3.940 -13.982   3.284
    5    HB2  MET   1           2HB      MET   1   4.044 -12.032   4.852
    6    HB3  MET   1           1HB      MET   1   5.621 -12.615   4.361
    7    HG2  MET   1           2HG      MET   1   5.788 -10.758   2.758
    8    HG3  MET   1           1HG      MET   1   4.220 -10.170   3.310
    9    HE1  MET   1           2HE      MET   1   5.890  -7.411   5.149
   10    HE2  MET   1           3HE      MET   1   4.263  -8.087   5.052
   11    HE3  MET   1           1HE      MET   1   5.240  -7.928   3.592
   12    H    GLN   2           H        GLN   2   1.819 -13.423   4.039
   13    HA   GLN   2           HA       GLN   2   0.176 -11.993   2.055
   14    HB2  GLN   2           2HB      GLN   2  -0.548 -13.841   4.334
   15    HB3  GLN   2           1HB      GLN   2  -1.726 -13.042   3.301
   16    HG2  GLN   2           2HG      GLN   2  -0.841 -14.206   1.361
   17    HG3  GLN   2           1HG      GLN   2   0.385 -14.976   2.368
   18   HE21  GLN   2          1HE2      GLN   2  -2.470 -15.555   0.864
   19   HE22  GLN   2          2HE2      GLN   2  -3.100 -16.780   1.907
   20    H    ILE   3           H        ILE   3  -1.086 -10.232   2.525
   21    HA   ILE   3           HA       ILE   3  -1.071  -9.133   5.249
   22    HB   ILE   3           HB       ILE   3  -0.749  -6.862   4.410
   23   HG12  ILE   3          2HG1      ILE   3   0.177  -8.005   1.762
   24   HG13  ILE   3          1HG1      ILE   3  -1.474  -7.441   1.987
   25   HG21  ILE   3          1HG2      ILE   3   1.445  -8.832   3.804
   26   HG22  ILE   3          2HG2      ILE   3   1.146  -7.968   5.312
   27   HG23  ILE   3          3HG2      ILE   3   1.684  -7.087   3.884
   28   HD11  ILE   3          3HD1      ILE   3   0.941  -5.737   2.494
   29   HD12  ILE   3          1HD1      ILE   3  -0.744  -5.226   2.415
   30   HD13  ILE   3          2HD1      ILE   3   0.075  -5.789   0.957
   31    H    PHE   4           H        PHE   4  -2.931  -7.424   5.510
   32    HA   PHE   4           HA       PHE   4  -5.188  -8.048   3.709
   33    HB2  PHE   4           2HB      PHE   4  -5.246  -7.599   6.703
   34    HB3  PHE   4           1HB      PHE   4  -6.648  -7.830   5.684
   35    HD1  PHE   4           1HD      PHE   4  -7.113 -10.022   4.667
   36    HD2  PHE   4           2HD      PHE   4  -3.886  -9.467   7.390
   37    HE1  PHE   4           1HE      PHE   4  -6.964 -12.457   4.983
   38    HE2  PHE   4           2HE      PHE   4  -3.735 -11.901   7.708
   39    HZ   PHE   4           HZ       PHE   4  -5.274 -13.399   6.504
   40    H    VAL   5           H        VAL   5  -6.427  -6.327   3.009
   41    HA   VAL   5           HA       VAL   5  -5.744  -3.631   4.067
   42    HB   VAL   5           HB       VAL   5  -6.605  -4.235   1.212
   43   HG11  VAL   5          1HG1      VAL   5  -7.303  -2.001   1.976
   44   HG12  VAL   5          2HG1      VAL   5  -6.017  -1.877   0.778
   45   HG13  VAL   5          3HG1      VAL   5  -5.651  -1.656   2.488
   46   HG21  VAL   5          3HG2      VAL   5  -3.881  -3.537   2.328
   47   HG22  VAL   5          1HG2      VAL   5  -4.292  -3.535   0.610
   48   HG23  VAL   5          2HG2      VAL   5  -4.349  -5.040   1.527
   49    H    LYS   6           H        LYS   6  -7.432  -2.609   5.007
   50    HA   LYS   6           HA       LYS   6 -10.136  -3.673   4.648
   51    HB2  LYS   6           2HB      LYS   6  -8.818  -3.340   6.956
   52    HB3  LYS   6           1HB      LYS   6  -9.378  -1.688   6.805
   53    HG2  LYS   6           2HG      LYS   6 -10.830  -2.903   8.235
   54    HG3  LYS   6           1HG      LYS   6 -11.698  -2.514   6.749
   55    HD2  LYS   6           2HD      LYS   6 -11.888  -4.714   6.141
   56    HD3  LYS   6           1HD      LYS   6 -10.311  -5.154   6.801
   57    HE2  LYS   6           2HE      LYS   6 -12.027  -6.275   8.056
   58    HE3  LYS   6           1HE      LYS   6 -11.271  -5.051   9.074
   59    HZ1  LYS   6           3HZ      LYS   6 -13.144  -3.586   8.642
   60    HZ2  LYS   6           1HZ      LYS   6 -13.680  -5.047   9.309
   61    HZ3  LYS   6           2HZ      LYS   6 -13.868  -4.753   7.654
   62    H    THR   7           H        THR   7 -11.726  -2.434   3.715
   63    HA   THR   7           HA       THR   7 -10.984   0.254   2.804
   64    HB   THR   7           HB       THR   7 -12.660   0.053   1.105
   65    HG1  THR   7           1HG      THR   7 -14.273  -1.337   1.157
   66   HG21  THR   7          3HG2      THR   7 -12.042  -1.867  -0.167
   67   HG22  THR   7          1HG2      THR   7 -11.386  -2.659   1.265
   68   HG23  THR   7          2HG2      THR   7 -10.611  -1.208   0.628
   69    H    LEU   8           H        LEU   8 -12.671   1.957   2.779
   70    HA   LEU   8           HA       LEU   8 -13.700   2.592   5.280
   71    HB2  LEU   8           2HB      LEU   8 -14.940   3.401   2.647
   72    HB3  LEU   8           1HB      LEU   8 -15.203   4.197   4.184
   73    HG   LEU   8           HG       LEU   8 -12.529   4.034   2.817
   74   HD11  LEU   8          1HD1      LEU   8 -14.128   5.311   1.471
   75   HD12  LEU   8          2HD1      LEU   8 -12.863   6.337   2.149
   76   HD13  LEU   8          3HD1      LEU   8 -14.474   6.330   2.869
   77   HD21  LEU   8          3HD2      LEU   8 -12.453   4.338   5.261
   78   HD22  LEU   8          1HD2      LEU   8 -13.477   5.764   5.094
   79   HD23  LEU   8          2HD2      LEU   8 -11.860   5.752   4.390
   80    H    THR   9           H        THR   9 -15.699   1.182   2.593
   81    HA   THR   9           HA       THR   9 -18.037   0.992   4.090
   82    HB   THR   9           HB       THR   9 -18.941  -0.403   2.339
   83    HG1  THR   9           1HG      THR   9 -17.743  -1.577   1.031
   84   HG21  THR   9          3HG2      THR   9 -18.245   2.049   1.802
   85   HG22  THR   9          1HG2      THR   9 -18.762   0.966   0.510
   86   HG23  THR   9          2HG2      THR   9 -17.046   1.273   0.768
   87    H    GLY  10           H        GLY  10 -15.280  -0.939   4.666
   88    HA2  GLY  10           2HA      GLY  10 -15.231  -2.397   6.511
   89    HA3  GLY  10           1HA      GLY  10 -16.903  -2.817   6.224
   90    H    LYS  11           H        LYS  11 -15.135  -2.909   3.270
   91    HA   LYS  11           HA       LYS  11 -15.265  -5.798   3.263
   92    HB2  LYS  11           2HB      LYS  11 -15.857  -4.307   1.270
   93    HB3  LYS  11           1HB      LYS  11 -14.135  -4.054   1.068
   94    HG2  LYS  11           2HG      LYS  11 -13.831  -6.477   0.785
   95    HG3  LYS  11           1HG      LYS  11 -15.575  -6.695   0.934
   96    HD2  LYS  11           2HD      LYS  11 -15.925  -5.298  -1.040
   97    HD3  LYS  11           1HD      LYS  11 -14.184  -5.043  -1.176
   98    HE2  LYS  11           2HE      LYS  11 -14.730  -6.731  -2.737
   99    HE3  LYS  11           1HE      LYS  11 -13.953  -7.547  -1.381
  100    HZ1  LYS  11           3HZ      LYS  11 -15.874  -8.785  -2.046
  101    HZ2  LYS  11           1HZ      LYS  11 -16.864  -7.417  -1.949
  102    HZ3  LYS  11           2HZ      LYS  11 -16.203  -8.083  -0.542
  103    H    THR  12           H        THR  12 -13.434  -7.207   3.163
  104    HA   THR  12           HA       THR  12 -10.786  -5.958   3.670
  105    HB   THR  12           HB       THR  12 -11.682  -8.709   4.570
  106    HG1  THR  12           1HG      THR  12 -12.869  -7.494   5.849
  107   HG21  THR  12          3HG2      THR  12  -9.244  -8.444   4.486
  108   HG22  THR  12          1HG2      THR  12  -9.821  -8.599   6.143
  109   HG23  THR  12          2HG2      THR  12  -9.364  -7.017   5.514
  110    H    ILE  13           H        ILE  13  -9.233  -6.347   2.189
  111    HA   ILE  13           HA       ILE  13  -9.615  -8.558   0.253
  112    HB   ILE  13           HB       ILE  13  -7.723  -6.247  -0.274
  113   HG12  ILE  13          2HG1      ILE  13 -10.595  -6.227  -1.232
  114   HG13  ILE  13          1HG1      ILE  13 -10.056  -5.322   0.175
  115   HG21  ILE  13          1HG2      ILE  13  -7.533  -8.235  -1.662
  116   HG22  ILE  13          2HG2      ILE  13  -8.112  -6.867  -2.612
  117   HG23  ILE  13          3HG2      ILE  13  -9.240  -8.119  -2.092
  118   HD11  ILE  13          3HD1      ILE  13 -10.201  -3.967  -1.878
  119   HD12  ILE  13          1HD1      ILE  13  -8.941  -4.973  -2.593
  120   HD13  ILE  13          2HD1      ILE  13  -8.587  -3.995  -1.169
  121    H    THR  14           H        THR  14  -7.943 -10.058  -0.035
  122    HA   THR  14           HA       THR  14  -5.659  -9.852   1.821
  123    HB   THR  14           HB       THR  14  -6.559 -12.350   0.372
  124    HG1  THR  14           1HG      THR  14  -8.301 -12.081   1.559
  125   HG21  THR  14          3HG2      THR  14  -5.486 -13.522   2.197
  126   HG22  THR  14          1HG2      THR  14  -5.056 -11.989   2.955
  127   HG23  THR  14          2HG2      THR  14  -4.343 -12.436   1.405
  128    H    LEU  15           H        LEU  15  -3.620  -9.633   1.023
  129    HA   LEU  15           HA       LEU  15  -3.242 -10.037  -1.887
  130    HB2  LEU  15           2HB      LEU  15  -2.037  -7.832  -0.214
  131    HB3  LEU  15           1HB      LEU  15  -1.735  -8.100  -1.919
  132    HG   LEU  15           HG       LEU  15  -4.460  -7.442  -0.795
  133   HD11  LEU  15          1HD1      LEU  15  -2.402  -5.611  -2.016
  134   HD12  LEU  15          2HD1      LEU  15  -2.974  -5.589  -0.349
  135   HD13  LEU  15          3HD1      LEU  15  -4.074  -5.172  -1.664
  136   HD21  LEU  15          3HD2      LEU  15  -4.424  -8.606  -2.976
  137   HD22  LEU  15          1HD2      LEU  15  -3.401  -7.321  -3.616
  138   HD23  LEU  15          2HD2      LEU  15  -5.045  -6.958  -3.091
  139    H    GLU  16           H        GLU  16  -1.269 -10.850  -2.578
  140    HA   GLU  16           HA       GLU  16   0.492 -12.003  -0.503
  141    HB2  GLU  16           2HB      GLU  16  -0.478 -13.489  -2.342
  142    HB3  GLU  16           1HB      GLU  16   0.531 -12.605  -3.478
  143    HG2  GLU  16           2HG      GLU  16   1.713 -14.563  -2.962
  144    HG3  GLU  16           1HG      GLU  16   2.503 -13.276  -2.049
  145    H    VAL  17           H        VAL  17   2.371 -10.882  -0.107
  146    HA   VAL  17           HA       VAL  17   3.560  -9.215  -2.238
  147    HB   VAL  17           HB       VAL  17   3.924  -7.391  -0.579
  148   HG11  VAL  17          1HG1      VAL  17   2.057  -7.408  -2.223
  149   HG12  VAL  17          2HG1      VAL  17   1.728  -6.455  -0.776
  150   HG13  VAL  17          3HG1      VAL  17   1.009  -8.055  -0.961
  151   HG21  VAL  17          3HG2      VAL  17   1.980  -8.939   1.155
  152   HG22  VAL  17          1HG2      VAL  17   2.594  -7.318   1.479
  153   HG23  VAL  17          2HG2      VAL  17   3.691  -8.699   1.501
  154    H    GLU  18           H        GLU  18   5.769  -8.402  -1.622
  155    HA   GLU  18           HA       GLU  18   7.245 -10.275   0.144
  156    HB2  GLU  18           2HB      GLU  18   8.150  -8.896  -2.405
  157    HB3  GLU  18           1HB      GLU  18   9.237  -9.731  -1.308
  158    HG2  GLU  18           2HG      GLU  18   6.891 -11.067  -2.624
  159    HG3  GLU  18           1HG      GLU  18   8.499 -11.012  -3.343
  160    HA   PRO  19           HA       PRO  19   8.152  -6.685   2.603
  161    HB2  PRO  19           2HB      PRO  19  10.968  -7.520   2.981
  162    HB3  PRO  19           1HB      PRO  19   9.692  -7.212   4.166
  163    HG2  PRO  19           2HG      PRO  19  10.477  -9.721   3.565
  164    HG3  PRO  19           1HG      PRO  19   8.792  -9.332   3.949
  165    HD2  PRO  19           2HD      PRO  19  10.047  -9.813   1.258
  166    HD3  PRO  19           1HD      PRO  19   8.463 -10.335   1.883
  167    H    SER  20           H        SER  20  10.389  -7.373  -0.044
  168    HA   SER  20           HA       SER  20  11.520  -4.703  -0.078
  169    HB2  SER  20           2HB      SER  20  12.690  -6.886  -0.784
  170    HB3  SER  20           1HB      SER  20  11.809  -6.708  -2.302
  171    HG   SER  20           HG       SER  20  13.515  -5.531  -2.755
  172    H    ASP  21           H        ASP  21   8.459  -5.738  -1.021
  173    HA   ASP  21           HA       ASP  21   8.245  -4.507  -3.602
  174    HB2  ASP  21           2HB      ASP  21   6.239  -5.522  -1.590
  175    HB3  ASP  21           1HB      ASP  21   5.707  -4.613  -2.995
  176    H    THR  22           H        THR  22   7.476  -2.456  -4.093
  177    HA   THR  22           HA       THR  22   7.678  -0.415  -2.031
  178    HB   THR  22           HB       THR  22   7.473   1.180  -3.859
  179    HG1  THR  22           1HG      THR  22   6.806   0.624  -5.788
  180   HG21  THR  22          3HG2      THR  22   9.440   0.671  -5.159
  181   HG22  THR  22          1HG2      THR  22   9.380  -1.010  -4.633
  182   HG23  THR  22          2HG2      THR  22   9.703   0.269  -3.462
  183    H    ILE  23           H        ILE  23   6.022   1.232  -1.717
  184    HA   ILE  23           HA       ILE  23   3.384   0.228  -1.331
  185    HB   ILE  23           HB       ILE  23   4.422   3.062  -1.389
  186   HG12  ILE  23          2HG1      ILE  23   5.441   1.690   0.326
  187   HG13  ILE  23          1HG1      ILE  23   4.402   2.896   1.064
  188   HG21  ILE  23          1HG2      ILE  23   2.417   3.760  -0.178
  189   HG22  ILE  23          2HG2      ILE  23   1.750   2.137  -0.346
  190   HG23  ILE  23          3HG2      ILE  23   2.017   3.131  -1.778
  191   HD11  ILE  23          3HD1      ILE  23   3.869  -0.050   0.782
  192   HD12  ILE  23          1HD1      ILE  23   2.645   1.116   1.284
  193   HD13  ILE  23          2HD1      ILE  23   4.092   0.880   2.263
  194    H    GLU  24           H        GLU  24   4.754   2.176  -4.024
  195    HA   GLU  24           HA       GLU  24   2.369   2.595  -5.522
  196    HB2  GLU  24           2HB      GLU  24   4.639   3.637  -5.991
  197    HB3  GLU  24           1HB      GLU  24   5.134   2.097  -6.676
  198    HG2  GLU  24           2HG      GLU  24   2.696   3.490  -7.722
  199    HG3  GLU  24           1HG      GLU  24   4.295   4.029  -8.215
  200    H    ASN  25           H        ASN  25   4.555  -0.226  -5.358
  201    HA   ASN  25           HA       ASN  25   3.236  -1.717  -7.459
  202    HB2  ASN  25           2HB      ASN  25   5.617  -2.115  -6.493
  203    HB3  ASN  25           1HB      ASN  25   4.796  -2.988  -5.203
  204   HD21  ASN  25          1HD2      ASN  25   6.518  -3.582  -7.836
  205   HD22  ASN  25          2HD2      ASN  25   5.713  -4.985  -8.443
  206    H    VAL  26           H        VAL  26   2.814  -1.594  -3.931
  207    HA   VAL  26           HA       VAL  26   0.823  -3.670  -3.777
  208    HB   VAL  26           HB       VAL  26   1.307  -1.296  -1.929
  209   HG11  VAL  26          1HG1      VAL  26   0.055  -2.561  -0.228
  210   HG12  VAL  26          2HG1      VAL  26  -0.351  -3.778  -1.437
  211   HG13  VAL  26          3HG1      VAL  26  -0.967  -2.134  -1.601
  212   HG21  VAL  26          3HG2      VAL  26   2.569  -2.756  -0.566
  213   HG22  VAL  26          1HG2      VAL  26   3.168  -2.954  -2.212
  214   HG23  VAL  26          2HG2      VAL  26   2.093  -4.166  -1.512
  215    H    LYS  27           H        LYS  27   0.557  -0.142  -4.374
  216    HA   LYS  27           HA       LYS  27  -2.276  -0.050  -4.472
  217    HB2  LYS  27           2HB      LYS  27  -0.242   1.635  -5.973
  218    HB3  LYS  27           1HB      LYS  27  -1.960   1.986  -5.917
  219    HG2  LYS  27           2HG      LYS  27  -1.362   1.959  -3.242
  220    HG3  LYS  27           1HG      LYS  27   0.165   2.558  -3.945
  221    HD2  LYS  27           2HD      LYS  27  -1.336   4.170  -5.253
  222    HD3  LYS  27           1HD      LYS  27  -2.567   3.750  -4.062
  223    HE2  LYS  27           2HE      LYS  27   0.186   4.682  -3.274
  224    HE3  LYS  27           1HE      LYS  27  -1.135   5.808  -3.589
  225    HZ1  LYS  27           3HZ      LYS  27  -2.407   4.827  -1.832
  226    HZ2  LYS  27           1HZ      LYS  27  -0.881   5.229  -1.222
  227    HZ3  LYS  27           2HZ      LYS  27  -1.249   3.620  -1.589
  228    H    ALA  28           H        ALA  28   0.145  -0.795  -7.000
  229    HA   ALA  28           HA       ALA  28  -1.646  -0.879  -9.188
  230    HB1  ALA  28           1HB      ALA  28   0.939  -2.405  -8.860
  231    HB2  ALA  28           2HB      ALA  28   0.758  -0.790  -9.547
  232    HB3  ALA  28           3HB      ALA  28   0.065  -2.185 -10.376
  233    H    LYS  29           H        LYS  29  -0.706  -3.390  -6.850
  234    HA   LYS  29           HA       LYS  29  -2.143  -5.602  -8.053
  235    HB2  LYS  29           2HB      LYS  29  -1.214  -5.115  -5.212
  236    HB3  LYS  29           1HB      LYS  29  -1.977  -6.605  -5.750
  237    HG2  LYS  29           2HG      LYS  29  -0.162  -7.148  -7.158
  238    HG3  LYS  29           1HG      LYS  29   0.530  -5.532  -7.011
  239    HD2  LYS  29           2HD      LYS  29   1.169  -5.914  -4.757
  240    HD3  LYS  29           1HD      LYS  29   0.203  -7.386  -4.659
  241    HE2  LYS  29           2HE      LYS  29   2.507  -7.107  -6.575
  242    HE3  LYS  29           1HE      LYS  29   2.726  -7.654  -4.913
  243    HZ1  LYS  29           3HZ      LYS  29   1.052  -8.948  -6.995
  244    HZ2  LYS  29           1HZ      LYS  29   1.119  -9.442  -5.377
  245    HZ3  LYS  29           2HZ      LYS  29   2.498  -9.540  -6.350
  246    H    ILE  30           H        ILE  30  -3.060  -3.099  -5.692
  247    HA   ILE  30           HA       ILE  30  -5.691  -4.184  -5.192
  248    HB   ILE  30           HB       ILE  30  -4.524  -1.436  -4.727
  249   HG12  ILE  30          2HG1      ILE  30  -5.253  -3.722  -2.882
  250   HG13  ILE  30          1HG1      ILE  30  -3.628  -3.279  -3.381
  251   HG21  ILE  30          1HG2      ILE  30  -6.913  -1.075  -5.020
  252   HG22  ILE  30          2HG2      ILE  30  -6.539  -0.980  -3.300
  253   HG23  ILE  30          3HG2      ILE  30  -7.283  -2.436  -3.960
  254   HD11  ILE  30          3HD1      ILE  30  -3.639  -2.300  -1.351
  255   HD12  ILE  30          1HD1      ILE  30  -5.391  -2.091  -1.338
  256   HD13  ILE  30          2HD1      ILE  30  -4.374  -0.973  -2.250
  257    H    GLN  31           H        GLN  31  -4.430  -1.804  -7.576
  258    HA   GLN  31           HA       GLN  31  -6.904  -1.028  -8.784
  259    HB2  GLN  31           2HB      GLN  31  -4.733   0.108  -9.243
  260    HB3  GLN  31           1HB      GLN  31  -4.147  -1.343 -10.039
  261    HG2  GLN  31           2HG      GLN  31  -6.007  -1.030 -11.717
  262    HG3  GLN  31           1HG      GLN  31  -6.320   0.531 -10.962
  263   HE21  GLN  31          1HE2      GLN  31  -5.772   1.788 -12.757
  264   HE22  GLN  31          2HE2      GLN  31  -4.156   1.890 -13.354
  265    H    ASP  32           H        ASP  32  -4.719  -3.753  -9.444
  266    HA   ASP  32           HA       ASP  32  -6.128  -4.841 -11.670
  267    HB2  ASP  32           2HB      ASP  32  -4.488  -6.383  -9.648
  268    HB3  ASP  32           1HB      ASP  32  -4.891  -6.911 -11.284
  269    H    LYS  33           H        LYS  33  -6.486  -5.502  -8.181
  270    HA   LYS  33           HA       LYS  33  -8.499  -7.537  -8.598
  271    HB2  LYS  33           2HB      LYS  33  -7.778  -6.107  -6.036
  272    HB3  LYS  33           1HB      LYS  33  -8.639  -7.624  -6.157
  273    HG2  LYS  33           2HG      LYS  33  -6.190  -8.067  -7.480
  274    HG3  LYS  33           1HG      LYS  33  -5.787  -7.116  -6.053
  275    HD2  LYS  33           2HD      LYS  33  -6.946  -8.755  -4.642
  276    HD3  LYS  33           1HD      LYS  33  -7.339  -9.705  -6.077
  277    HE2  LYS  33           2HE      LYS  33  -4.965 -10.050  -6.513
  278    HE3  LYS  33           1HE      LYS  33  -4.553  -9.060  -5.114
  279    HZ1  LYS  33           3HZ      LYS  33  -5.528 -10.664  -3.665
  280    HZ2  LYS  33           1HZ      LYS  33  -4.468 -11.485  -4.696
  281    HZ3  LYS  33           2HZ      LYS  33  -6.137 -11.565  -4.960
  282    H    GLU  34           H        GLU  34  -8.660  -4.134  -7.496
  283    HA   GLU  34           HA       GLU  34 -11.610  -4.350  -7.484
  284    HB2  GLU  34           2HB      GLU  34  -9.737  -2.677  -5.842
  285    HB3  GLU  34           1HB      GLU  34 -11.485  -2.459  -5.839
  286    HG2  GLU  34           2HG      GLU  34 -10.239  -5.122  -5.330
  287    HG3  GLU  34           1HG      GLU  34 -10.406  -3.934  -4.007
  288    H    GLY  35           H        GLY  35  -9.223  -2.796  -9.368
  289    HA2  GLY  35           2HA      GLY  35  -9.508  -1.365 -11.115
  290    HA3  GLY  35           1HA      GLY  35 -11.212  -1.301 -10.743
  291    H    ILE  36           H        ILE  36  -9.216  -0.331  -8.109
  292    HA   ILE  36           HA       ILE  36 -10.071   2.444  -8.383
  293    HB   ILE  36           HB       ILE  36  -8.339   1.247  -6.198
  294   HG12  ILE  36          2HG1      ILE  36 -11.298   1.676  -5.803
  295   HG13  ILE  36          1HG1      ILE  36 -10.750   0.201  -6.583
  296   HG21  ILE  36          1HG2      ILE  36  -8.940   3.129  -4.860
  297   HG22  ILE  36          2HG2      ILE  36 -10.159   3.652  -6.022
  298   HG23  ILE  36          3HG2      ILE  36  -8.449   3.769  -6.429
  299   HD11  ILE  36          3HD1      ILE  36 -10.987  -0.314  -4.312
  300   HD12  ILE  36          1HD1      ILE  36 -10.143   1.151  -3.809
  301   HD13  ILE  36          2HD1      ILE  36  -9.252  -0.155  -4.589
  302    HA   PRO  37           HA       PRO  37  -6.068   3.406 -10.347
  303    HB2  PRO  37           2HB      PRO  37  -6.792   6.276 -10.027
  304    HB3  PRO  37           1HB      PRO  37  -6.464   5.363 -11.506
  305    HG2  PRO  37           2HG      PRO  37  -8.935   6.165 -10.867
  306    HG3  PRO  37           1HG      PRO  37  -8.639   4.617 -11.680
  307    HD2  PRO  37           2HD      PRO  37  -9.182   5.146  -8.769
  308    HD3  PRO  37           1HD      PRO  37  -9.863   3.899  -9.837
  309    HA   PRO  38           HA       PRO  38  -3.552   4.059  -6.722
  310    HB2  PRO  38           2HB      PRO  38  -1.477   5.246  -8.558
  311    HB3  PRO  38           1HB      PRO  38  -1.323   3.908  -7.413
  312    HG2  PRO  38           2HG      PRO  38  -1.445   3.448 -10.019
  313    HG3  PRO  38           1HG      PRO  38  -2.277   2.381  -8.872
  314    HD2  PRO  38           2HD      PRO  38  -3.408   4.547 -10.612
  315    HD3  PRO  38           1HD      PRO  38  -4.055   2.933 -10.252
  316    H    ASP  39           H        ASP  39  -3.891   6.813  -8.957
  317    HA   ASP  39           HA       ASP  39  -2.866   8.725  -7.157
  318    HB2  ASP  39           2HB      ASP  39  -3.150   8.981  -9.685
  319    HB3  ASP  39           1HB      ASP  39  -4.834   9.364  -9.357
  320    H    GLN  40           H        GLN  40  -5.975   7.166  -7.182
  321    HA   GLN  40           HA       GLN  40  -7.211   9.267  -5.541
  322    HB2  GLN  40           2HB      GLN  40  -8.362   6.801  -6.863
  323    HB3  GLN  40           1HB      GLN  40  -9.279   7.865  -5.810
  324    HG2  GLN  40           2HG      GLN  40  -8.652   9.734  -7.408
  325    HG3  GLN  40           1HG      GLN  40  -8.114   8.459  -8.502
  326   HE21  GLN  40          1HE2      GLN  40 -10.763  10.320  -7.480
  327   HE22  GLN  40          2HE2      GLN  40 -12.002   9.405  -8.262
  328    H    GLN  41           H        GLN  41  -5.279   6.598  -4.976
  329    HA   GLN  41           HA       GLN  41  -6.739   5.609  -2.617
  330    HB2  GLN  41           2HB      GLN  41  -4.495   4.543  -4.292
  331    HB3  GLN  41           1HB      GLN  41  -4.916   3.825  -2.745
  332    HG2  GLN  41           2HG      GLN  41  -7.208   3.450  -3.593
  333    HG3  GLN  41           1HG      GLN  41  -6.688   4.066  -5.166
  334   HE21  GLN  41          1HE2      GLN  41  -5.181   1.788  -2.827
  335   HE22  GLN  41          2HE2      GLN  41  -4.986   0.534  -3.979
  336    H    ARG  42           H        ARG  42  -6.043   5.860  -0.541
  337    HA   ARG  42           HA       ARG  42  -3.320   6.838  -0.061
  338    HB2  ARG  42           2HB      ARG  42  -5.781   7.547   1.566
  339    HB3  ARG  42           1HB      ARG  42  -4.142   8.071   1.915
  340    HG2  ARG  42           2HG      ARG  42  -4.132   9.305  -0.233
  341    HG3  ARG  42           1HG      ARG  42  -5.825   8.857  -0.451
  342    HD2  ARG  42           2HD      ARG  42  -6.481  10.076   1.482
  343    HD3  ARG  42           1HD      ARG  42  -4.808  10.328   1.972
  344    HE   ARG  42           HE       ARG  42  -4.855  11.566  -0.403
  345   HH11  ARG  42          1HH1      ARG  42  -7.094  11.888   2.338
  346   HH12  ARG  42          2HH1      ARG  42  -7.514  13.510   1.920
  347   HH21  ARG  42          1HH2      ARG  42  -5.449  13.687  -0.886
  348   HH22  ARG  42          2HH2      ARG  42  -6.588  14.525   0.114
  349    H    LEU  43           H        LEU  43  -2.154   5.476   1.272
  350    HA   LEU  43           HA       LEU  43  -3.645   3.324   2.654
  351    HB2  LEU  43           2HB      LEU  43  -0.831   3.388   1.544
  352    HB3  LEU  43           1HB      LEU  43  -1.499   2.094   2.528
  353    HG   LEU  43           HG       LEU  43  -2.633   2.913  -0.150
  354   HD11  LEU  43          1HD1      LEU  43  -0.765   0.642   0.516
  355   HD12  LEU  43          2HD1      LEU  43  -0.367   2.071  -0.438
  356   HD13  LEU  43          3HD1      LEU  43  -1.550   0.909  -1.040
  357   HD21  LEU  43          3HD2      LEU  43  -3.108   0.522   1.627
  358   HD22  LEU  43          1HD2      LEU  43  -3.722   0.692  -0.017
  359   HD23  LEU  43          2HD2      LEU  43  -4.259   1.801   1.244
  360    H    ILE  44           H        ILE  44  -3.527   3.108   4.801
  361    HA   ILE  44           HA       ILE  44  -1.536   4.678   6.324
  362    HB   ILE  44           HB       ILE  44  -4.513   4.398   6.720
  363   HG12  ILE  44          2HG1      ILE  44  -3.875   6.987   7.305
  364   HG13  ILE  44          1HG1      ILE  44  -2.586   6.625   6.177
  365   HG21  ILE  44          1HG2      ILE  44  -2.511   5.146   8.860
  366   HG22  ILE  44          2HG2      ILE  44  -3.719   3.862   8.911
  367   HG23  ILE  44          3HG2      ILE  44  -4.227   5.551   8.946
  368   HD11  ILE  44          3HD1      ILE  44  -5.410   7.090   5.677
  369   HD12  ILE  44          1HD1      ILE  44  -4.763   5.684   4.829
  370   HD13  ILE  44          2HD1      ILE  44  -4.006   7.262   4.621
  371    H    PHE  45           H        PHE  45  -0.474   3.668   7.914
  372    HA   PHE  45           HA       PHE  45  -1.403   1.064   8.911
  373    HB2  PHE  45           2HB      PHE  45   0.329   0.626   7.174
  374    HB3  PHE  45           1HB      PHE  45   1.463   1.634   8.061
  375    HD1  PHE  45           1HD      PHE  45  -0.766  -1.314   8.620
  376    HD2  PHE  45           2HD      PHE  45   2.969   0.547   9.475
  377    HE1  PHE  45           1HE      PHE  45  -0.086  -3.282   9.932
  378    HE2  PHE  45           2HE      PHE  45   3.651  -1.421  10.784
  379    HZ   PHE  45           HZ       PHE  45   2.123  -3.335  11.015
  380    H    ALA  46           H        ALA  46  -1.449   1.126  11.158
  381    HA   ALA  46           HA       ALA  46  -1.261   1.979  13.274
  382    HB1  ALA  46           1HB      ALA  46   0.951   1.998  14.149
  383    HB2  ALA  46           2HB      ALA  46   1.646   2.319  12.561
  384    HB3  ALA  46           3HB      ALA  46   0.895   0.759  12.894
  385    H    GLY  47           H        GLY  47  -2.307   3.916  11.657
  386    HA2  GLY  47           2HA      GLY  47  -2.879   6.122  11.789
  387    HA3  GLY  47           1HA      GLY  47  -1.713   6.303  13.078
  388    H    LYS  48           H        LYS  48  -0.002   5.127  10.400
  389    HA   LYS  48           HA       LYS  48   0.795   7.869   9.619
  390    HB2  LYS  48           2HB      LYS  48   2.472   5.397   9.239
  391    HB3  LYS  48           1HB      LYS  48   3.000   7.062   9.165
  392    HG2  LYS  48           2HG      LYS  48   2.721   7.310  11.557
  393    HG3  LYS  48           1HG      LYS  48   2.071   5.675  11.674
  394    HD2  LYS  48           2HD      LYS  48   4.235   4.821  10.781
  395    HD3  LYS  48           1HD      LYS  48   4.866   6.468  10.863
  396    HE2  LYS  48           2HE      LYS  48   4.495   6.508  13.268
  397    HE3  LYS  48           1HE      LYS  48   3.797   4.891  13.204
  398    HZ1  LYS  48           3HZ      LYS  48   5.964   4.098  12.350
  399    HZ2  LYS  48           1HZ      LYS  48   6.053   4.725  13.920
  400    HZ3  LYS  48           2HZ      LYS  48   6.608   5.640  12.610
  401    H    GLN  49           H        GLN  49   0.817   8.520   7.494
  402    HA   GLN  49           HA       GLN  49  -0.493   6.822   5.524
  403    HB2  GLN  49           2HB      GLN  49  -0.628   9.437   5.835
  404    HB3  GLN  49           1HB      GLN  49   0.816   9.456   4.834
  405    HG2  GLN  49           2HG      GLN  49  -0.434   8.186   3.105
  406    HG3  GLN  49           1HG      GLN  49  -1.883   8.344   4.095
  407   HE21  GLN  49          1HE2      GLN  49  -2.143  10.810   4.866
  408   HE22  GLN  49          2HE2      GLN  49  -2.058  11.936   3.560
  409    H    LEU  50           H        LEU  50   0.582   5.533   4.030
  410    HA   LEU  50           HA       LEU  50   3.475   5.371   4.153
  411    HB2  LEU  50           2HB      LEU  50   1.639   3.710   2.433
  412    HB3  LEU  50           1HB      LEU  50   3.290   3.359   2.885
  413    HG   LEU  50           HG       LEU  50   0.957   3.455   4.797
  414   HD11  LEU  50          1HD1      LEU  50   1.068   1.042   4.841
  415   HD12  LEU  50          2HD1      LEU  50   2.404   1.054   3.691
  416   HD13  LEU  50          3HD1      LEU  50   0.805   1.599   3.189
  417   HD21  LEU  50          3HD2      LEU  50   2.415   2.615   6.468
  418   HD22  LEU  50          1HD2      LEU  50   3.260   3.969   5.722
  419   HD23  LEU  50          2HD2      LEU  50   3.701   2.314   5.302
  420    H    GLU  51           H        GLU  51   4.935   5.985   2.585
  421    HA   GLU  51           HA       GLU  51   3.921   7.569   0.340
  422    HB2  GLU  51           2HB      GLU  51   6.701   7.168   1.461
  423    HB3  GLU  51           1HB      GLU  51   6.374   8.123   0.019
  424    HG2  GLU  51           2HG      GLU  51   5.276   9.780   1.183
  425    HG3  GLU  51           1HG      GLU  51   4.971   8.756   2.586
  426    H    ASP  52           H        ASP  52   4.269   7.224  -1.833
  427    HA   ASP  52           HA       ASP  52   4.309   4.558  -2.711
  428    HB2  ASP  52           2HB      ASP  52   4.607   7.123  -4.275
  429    HB3  ASP  52           1HB      ASP  52   4.444   5.531  -5.013
  430    H    GLY  53           H        GLY  53   7.024   6.777  -2.360
  431    HA2  GLY  53           2HA      GLY  53   8.792   5.129  -3.985
  432    HA3  GLY  53           1HA      GLY  53   9.232   6.566  -3.087
  433    H    ARG  54           H        ARG  54   7.644   4.608  -0.862
  434    HA   ARG  54           HA       ARG  54  10.210   3.475   0.101
  435    HB2  ARG  54           2HB      ARG  54   7.648   4.033   1.617
  436    HB3  ARG  54           1HB      ARG  54   9.097   3.333   2.310
  437    HG2  ARG  54           2HG      ARG  54   8.736   6.152   1.294
  438    HG3  ARG  54           1HG      ARG  54   8.965   5.618   2.945
  439    HD2  ARG  54           2HD      ARG  54  11.231   4.883   2.436
  440    HD3  ARG  54           1HD      ARG  54  11.021   5.355   0.751
  441    HE   ARG  54           HE       ARG  54  11.612   7.066   2.973
  442   HH11  ARG  54          1HH1      ARG  54  10.158   7.080  -0.265
  443   HH12  ARG  54          2HH1      ARG  54  10.417   8.776  -0.477
  444   HH21  ARG  54          1HH2      ARG  54  11.916   9.280   2.634
  445   HH22  ARG  54          2HH2      ARG  54  11.401  10.014   1.152
  446    H    THR  55           H        THR  55  10.042   1.378   1.323
  447    HA   THR  55           HA       THR  55   8.272  -0.527  -0.109
  448    HB   THR  55           HB       THR  55   9.829  -2.278   0.492
  449    HG1  THR  55           1HG      THR  55  11.578  -1.948   1.744
  450   HG21  THR  55          3HG2      THR  55  10.321  -0.748  -1.511
  451   HG22  THR  55          1HG2      THR  55  11.582  -1.843  -0.939
  452   HG23  THR  55          2HG2      THR  55  11.639  -0.131  -0.513
  453    H    LEU  56           H        LEU  56   7.592  -2.454   1.110
  454    HA   LEU  56           HA       LEU  56   6.099  -1.857   3.433
  455    HB2  LEU  56           2HB      LEU  56   7.012  -4.551   2.425
  456    HB3  LEU  56           1HB      LEU  56   5.777  -4.296   3.647
  457    HG   LEU  56           HG       LEU  56   5.579  -3.388   0.772
  458   HD11  LEU  56          1HD1      LEU  56   4.176  -5.682   2.123
  459   HD12  LEU  56          2HD1      LEU  56   5.586  -5.852   1.079
  460   HD13  LEU  56          3HD1      LEU  56   4.076  -5.215   0.426
  461   HD21  LEU  56          3HD2      LEU  56   4.223  -1.955   2.098
  462   HD22  LEU  56          1HD2      LEU  56   3.655  -3.295   3.094
  463   HD23  LEU  56          2HD2      LEU  56   3.129  -3.159   1.417
  464    H    SER  57           H        SER  57   9.355  -3.258   3.209
  465    HA   SER  57           HA       SER  57   9.566  -4.021   5.952
  466    HB2  SER  57           2HB      SER  57  11.067  -5.091   4.390
  467    HB3  SER  57           1HB      SER  57  11.715  -3.525   3.888
  468    HG   SER  57           HG       SER  57  13.174  -3.991   5.347
  469    H    ASP  58           H        ASP  58  10.193  -0.974   4.244
  470    HA   ASP  58           HA       ASP  58  11.721   0.331   6.240
  471    HB2  ASP  58           2HB      ASP  58   9.821   1.527   4.205
  472    HB3  ASP  58           1HB      ASP  58  10.941   2.461   5.185
  473    H    TYR  59           H        TYR  59   8.250  -0.225   6.046
  474    HA   TYR  59           HA       TYR  59   7.757   1.481   8.399
  475    HB2  TYR  59           2HB      TYR  59   5.912   0.155   6.393
  476    HB3  TYR  59           1HB      TYR  59   5.319   0.918   7.867
  477    HD1  TYR  59           1HD      TYR  59   5.680   3.363   8.219
  478    HD2  TYR  59           2HD      TYR  59   6.531   1.482   4.498
  479    HE1  TYR  59           1HE      TYR  59   5.684   5.560   7.117
  480    HE2  TYR  59           2HE      TYR  59   6.536   3.675   3.386
  481    HH   TYR  59           HH       TYR  59   5.256   6.392   4.644
  482    H    ASN  60           H        ASN  60   8.908  -1.532   8.157
  483    HA   ASN  60           HA       ASN  60   8.897  -3.431   9.343
  484    HB2  ASN  60           2HB      ASN  60   7.866  -1.495  11.415
  485    HB3  ASN  60           1HB      ASN  60   8.218  -3.176  11.805
  486   HD21  ASN  60          1HD2      ASN  60   9.578  -0.057  10.981
  487   HD22  ASN  60          2HD2      ASN  60  11.220  -0.485  11.309
  488    H    ILE  61           H        ILE  61   6.714  -3.246   7.589
  489    HA   ILE  61           HA       ILE  61   4.357  -4.250   8.986
  490    HB   ILE  61           HB       ILE  61   4.880  -3.965   6.002
  491   HG12  ILE  61          2HG1      ILE  61   3.094  -2.286   7.775
  492   HG13  ILE  61          1HG1      ILE  61   4.748  -1.836   7.397
  493   HG21  ILE  61          1HG2      ILE  61   2.301  -4.604   7.456
  494   HG22  ILE  61          2HG2      ILE  61   3.208  -5.699   6.412
  495   HG23  ILE  61          3HG2      ILE  61   2.441  -4.264   5.730
  496   HD11  ILE  61          3HD1      ILE  61   3.356  -0.607   5.946
  497   HD12  ILE  61          1HD1      ILE  61   2.422  -2.038   5.511
  498   HD13  ILE  61          2HD1      ILE  61   4.093  -1.879   4.970
  499    H    GLN  62           H        GLN  62   4.047  -6.327   9.486
  500    HA   GLN  62           HA       GLN  62   5.814  -8.411   8.332
  501    HB2  GLN  62           2HB      GLN  62   4.460  -8.169  11.029
  502    HB3  GLN  62           1HB      GLN  62   5.363  -9.580  10.499
  503    HG2  GLN  62           2HG      GLN  62   6.510  -6.812  10.792
  504    HG3  GLN  62           1HG      GLN  62   6.644  -8.096  11.992
  505   HE21  GLN  62          1HE2      GLN  62   7.700 -10.157  11.218
  506   HE22  GLN  62          2HE2      GLN  62   9.020  -9.991  10.117
  507    H    LYS  63           H        LYS  63   4.830 -10.699   8.553
  508    HA   LYS  63           HA       LYS  63   2.655 -10.983   6.884
  509    HB2  LYS  63           2HB      LYS  63   2.440 -13.328   7.669
  510    HB3  LYS  63           1HB      LYS  63   4.093 -12.877   7.259
  511    HG2  LYS  63           2HG      LYS  63   4.385 -12.415   9.763
  512    HG3  LYS  63           1HG      LYS  63   2.896 -13.335   9.970
  513    HD2  LYS  63           2HD      LYS  63   5.252 -14.422   8.439
  514    HD3  LYS  63           1HD      LYS  63   5.108 -14.593  10.191
  515    HE2  LYS  63           2HE      LYS  63   2.949 -15.732   9.883
  516    HE3  LYS  63           1HE      LYS  63   3.132 -15.586   8.135
  517    HZ1  LYS  63           3HZ      LYS  63   5.028 -17.005   8.193
  518    HZ2  LYS  63           1HZ      LYS  63   3.791 -17.778   9.052
  519    HZ3  LYS  63           2HZ      LYS  63   5.054 -17.021   9.884
  520    H    GLU  64           H        GLU  64   0.440 -11.276   7.049
  521    HA   GLU  64           HA       GLU  64  -1.669 -11.100   7.829
  522    HB2  GLU  64           2HB      GLU  64  -0.545 -11.966  10.495
  523    HB3  GLU  64           1HB      GLU  64  -2.254 -11.843  10.101
  524    HG2  GLU  64           2HG      GLU  64  -1.684 -13.487   8.184
  525    HG3  GLU  64           1HG      GLU  64  -0.223 -13.816   9.122
  526    H    SER  65           H        SER  65   0.263  -8.685   8.197
  527    HA   SER  65           HA       SER  65  -1.039  -7.141  10.291
  528    HB2  SER  65           2HB      SER  65   0.902  -6.447   8.078
  529    HB3  SER  65           1HB      SER  65   0.206  -5.225   9.140
  530    HG   SER  65           HG       SER  65   1.748  -5.750  10.470
  531    H    THR  66           H        THR  66  -2.427  -5.317   9.935
  532    HA   THR  66           HA       THR  66  -4.084  -5.491   7.485
  533    HB   THR  66           HB       THR  66  -4.873  -4.403  10.191
  534    HG1  THR  66           1HG      THR  66  -4.524  -6.537  10.530
  535   HG21  THR  66          3HG2      THR  66  -7.181  -5.134   9.255
  536   HG22  THR  66          1HG2      THR  66  -6.387  -5.033   7.683
  537   HG23  THR  66          2HG2      THR  66  -6.481  -3.608   8.716
  538    H    LEU  67           H        LEU  67  -4.008  -3.782   6.136
  539    HA   LEU  67           HA       LEU  67  -3.051  -1.149   7.077
  540    HB2  LEU  67           2HB      LEU  67  -3.266  -2.090   4.205
  541    HB3  LEU  67           1HB      LEU  67  -2.508  -0.626   4.799
  542    HG   LEU  67           HG       LEU  67  -0.922  -2.377   6.061
  543   HD11  LEU  67          1HD1      LEU  67  -2.025  -4.384   5.440
  544   HD12  LEU  67          2HD1      LEU  67  -0.471  -4.314   4.610
  545   HD13  LEU  67          3HD1      LEU  67  -1.957  -3.950   3.732
  546   HD21  LEU  67          3HD2      LEU  67  -0.049  -0.741   4.568
  547   HD22  LEU  67          1HD2      LEU  67  -0.723  -1.579   3.168
  548   HD23  LEU  67          2HD2      LEU  67   0.595  -2.310   4.085
  549    H    HIS  68           H        HIS  68  -4.264   0.731   6.276
  550    HA   HIS  68           HA       HIS  68  -7.097   0.130   5.678
  551    HB2  HIS  68           2HB      HIS  68  -5.827   2.458   7.140
  552    HB3  HIS  68           1HB      HIS  68  -7.530   2.378   6.724
  553    HD1  HIS  68           1HD      HIS  68  -4.953   0.759   8.933
  554    HD2  HIS  68           2HD      HIS  68  -9.081   0.870   8.472
  555    HE1  HIS  68           1HE      HIS  68  -5.881  -0.405  10.952
  556    H    LEU  69           H        LEU  69  -8.013   0.976   3.866
  557    HA   LEU  69           HA       LEU  69  -6.355   2.748   2.167
  558    HB2  LEU  69           2HB      LEU  69  -6.960   0.539   1.223
  559    HB3  LEU  69           1HB      LEU  69  -8.655   0.920   1.442
  560    HG   LEU  69           HG       LEU  69  -8.456   2.713  -0.221
  561   HD11  LEU  69          1HD1      LEU  69  -6.463   2.968  -1.578
  562   HD12  LEU  69          2HD1      LEU  69  -5.636   1.737  -0.623
  563   HD13  LEU  69          3HD1      LEU  69  -6.089   3.271   0.120
  564   HD21  LEU  69          3HD2      LEU  69  -9.051   0.374  -0.836
  565   HD22  LEU  69          1HD2      LEU  69  -7.368   0.131  -1.303
  566   HD23  LEU  69          2HD2      LEU  69  -8.355   1.322  -2.151
  567    H    VAL  70           H        VAL  70  -7.070   4.810   1.780
  568    HA   VAL  70           HA       VAL  70  -9.843   5.526   2.350
  569    HB   VAL  70           HB       VAL  70  -7.234   6.858   2.972
  570   HG11  VAL  70          1HG1      VAL  70  -8.368   8.994   3.577
  571   HG12  VAL  70          2HG1      VAL  70  -9.845   8.388   2.826
  572   HG13  VAL  70          3HG1      VAL  70  -8.412   8.681   1.841
  573   HG21  VAL  70          3HG2      VAL  70  -8.087   7.150   5.157
  574   HG22  VAL  70          1HG2      VAL  70  -8.311   5.483   4.632
  575   HG23  VAL  70          2HG2      VAL  70  -9.684   6.593   4.648
  576    H    LEU  71           H        LEU  71 -10.889   6.558   0.661
  577    HA   LEU  71           HA       LEU  71  -9.399   6.832  -1.854
  578    HB2  LEU  71           2HB      LEU  71 -12.379   6.817  -1.360
  579    HB3  LEU  71           1HB      LEU  71 -11.609   6.869  -2.934
  580    HG   LEU  71           HG       LEU  71 -11.232   4.576  -1.011
  581   HD11  LEU  71          1HD1      LEU  71 -12.885   3.350  -2.301
  582   HD12  LEU  71          2HD1      LEU  71 -13.192   4.775  -3.293
  583   HD13  LEU  71          3HD1      LEU  71 -13.608   4.788  -1.580
  584   HD21  LEU  71          3HD2      LEU  71 -10.737   4.856  -3.973
  585   HD22  LEU  71          1HD2      LEU  71 -10.519   3.382  -3.030
  586   HD23  LEU  71          2HD2      LEU  71  -9.507   4.791  -2.711
  587    H    ARG  72           H        ARG  72  -9.141   8.694  -2.959
  588    HA   ARG  72           HA       ARG  72  -9.770  11.189  -1.581
  589    HB2  ARG  72           2HB      ARG  72  -8.262  10.749  -4.168
  590    HB3  ARG  72           1HB      ARG  72  -8.352  12.251  -3.261
  591    HG2  ARG  72           2HG      ARG  72  -7.151  11.206  -1.408
  592    HG3  ARG  72           1HG      ARG  72  -7.063   9.697  -2.315
  593    HD2  ARG  72           2HD      ARG  72  -5.923  11.160  -4.144
  594    HD3  ARG  72           1HD      ARG  72  -5.669  12.297  -2.821
  595    HE   ARG  72           HE       ARG  72  -4.780   9.585  -2.306
  596   HH11  ARG  72          1HH1      ARG  72  -3.740  12.771  -3.485
  597   HH12  ARG  72          2HH1      ARG  72  -2.072  12.438  -3.184
  598   HH21  ARG  72          1HH2      ARG  72  -2.583   9.220  -1.944
  599   HH22  ARG  72          2HH2      ARG  72  -1.419  10.446  -2.320
  600    H    LEU  73           H        LEU  73 -10.778  13.019  -2.699
  601    HA   LEU  73           HA       LEU  73 -12.359  12.441  -5.089
  602    HB2  LEU  73           2HB      LEU  73 -13.583  13.204  -2.436
  603    HB3  LEU  73           1HB      LEU  73 -14.431  13.345  -3.963
  604    HG   LEU  73           HG       LEU  73 -13.363  10.730  -2.891
  605   HD11  LEU  73          1HD1      LEU  73 -15.705  10.229  -2.318
  606   HD12  LEU  73          2HD1      LEU  73 -16.132  11.897  -2.695
  607   HD13  LEU  73          3HD1      LEU  73 -15.035  11.549  -1.359
  608   HD21  LEU  73          3HD2      LEU  73 -15.332  11.354  -5.092
  609   HD22  LEU  73          1HD2      LEU  73 -14.862   9.744  -4.549
  610   HD23  LEU  73          2HD2      LEU  73 -13.674  10.796  -5.316
  611    H    ARG  74           H        ARG  74 -13.663  14.492  -5.738
  612    HA   ARG  74           HA       ARG  74 -12.465  17.013  -4.879
  613    HB2  ARG  74           2HB      ARG  74 -12.237  15.979  -7.710
  614    HB3  ARG  74           1HB      ARG  74 -11.912  17.639  -7.231
  615    HG2  ARG  74           2HG      ARG  74 -10.145  16.783  -5.699
  616    HG3  ARG  74           1HG      ARG  74 -10.413  15.175  -6.375
  617    HD2  ARG  74           2HD      ARG  74  -9.880  16.072  -8.619
  618    HD3  ARG  74           1HD      ARG  74  -9.530  17.634  -7.885
  619    HE   ARG  74           HE       ARG  74  -8.004  15.419  -6.809
  620   HH11  ARG  74          1HH1      ARG  74  -7.983  17.969  -9.287
  621   HH12  ARG  74          2HH1      ARG  74  -6.261  17.940  -9.431
  622   HH21  ARG  74          1HH2      ARG  74  -5.761  15.439  -7.052
  623   HH22  ARG  74          2HH2      ARG  74  -5.012  16.522  -8.177
  624    H    GLY  75           H        GLY  75 -13.678  18.883  -5.487
  625    HA2  GLY  75           2HA      GLY  75 -15.510  20.081  -6.221
  626    HA3  GLY  75           1HA      GLY  75 -16.028  18.673  -7.135
  627    H    GLY  76           H        GLY  76 -17.734  17.496  -6.395
  628    HA2  GLY  76           2HA      GLY  76 -18.419  17.398  -3.583
  629    HA3  GLY  76           1HA      GLY  76 -19.529  18.365  -4.540