*HEADER    HYDROLASE                               29-MAR-04   1SVJ              
*TITLE     THE SOLUTION STRUCTURE OF THE NUCLEOTIDE BINDING DOMAIN OF            
*TITLE    2 KDPB                                                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: POTASSIUM-TRANSPORTING ATPASE B CHAIN;                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINAL DOMAIN;                                         
*COMPND   5 SYNONYM: POTASSIUM-TRANSLOCATING ATPASE B CHAIN, ATP                 
*COMPND   6 PHOSPHOHYDROLASE [POTASSIUM-TRANSPORTING] B CHAIN,                   
*COMPND   7 POTASSIUM BINDING AND TRANSLOCATING SUBUNIT B, KDPB N-               
*COMPND   8 DOMAIN, KDPBN, KDP B CHAIN N-DOMAIN;                                 
*COMPND   9 EC: 3.6.3.12;                                                        
*COMPND  10 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 GENE: KDPB, B0697;                                                   
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET16B                                    
*KEYWDS    ALPHA-BETA SANDWICH                                                   
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    M.HAUPT, M.BRAMKAMP, M.COLES, K.ALTENDORF, H.KESSLER                  
*REVDAT   1   21-SEP-04 1SVJ    0                                                

 ! DISTANCE RESTRAINTS
 
 ! intra-residue

 
 assign(resid  316 and name hd2+ )(resid  316 and name ha   ) 0.0  0.0  6.3   !n 1.000000 1372 1 
 assign(resid  318 and name hn   )(resid  318 and name ha   ) 2.7  0.0  5.0   !n 1.000000 1 1 cnh 
 assign(resid  318 and name hn   )(resid  318 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 18 1 hnh 
 assign(resid  319 and name hn   )(resid  319 and name ha   ) 2.7  0.0  5.0   !n 1.000000 7 1 hnh 
 assign(resid  320 and name hn   )(resid  320 and name hb2  ) 0.0  0.0  3.2   !n 1.000000 3 1 hnh 
 assign(resid  320 and name hn   )(resid  320 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 2 1 hnh 
 assign(resid  320 and name hn   )(resid  320 and name ha   ) 2.7  0.0  5.0   !n 1.000000 5 1 cnh 
 assign(resid  321 and name hn   )(resid  321 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 5 1 cnh 
 assign(resid  321 and name hn   )(resid  321 and name ha   ) 2.7  0.0  5.0   !n 1.000000 3 1 cnh 
 assign(resid  321 and name hn   )(resid  321 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 6 1 cnh 
 assign(resid  322 and name hn   )(resid  322 and name ha   ) 2.7  0.0  5.0   !n 1.000000 2 1 hnh 
 assign(resid  322 and name hn   )(resid  322 and name hb1  ) 0.0  0.0  3.2   !n 1.000000 4 1 hnh 
 assign(resid  322 and name hn   )(resid  322 and name hb2  ) 0.0  0.0  4.2   !n 1.000000 5 1 hnh 
 assign(resid  323 and name hn   )(resid  323 and name hg1+ ) 0.0  0.0  4.0   !n 1.000000 8 1 hnh 
 assign(resid  323 and name hn   )(resid  323 and name hd1+ ) 0.0  0.0  5.0   !n 1.000000 8 1 cnh 
 assign(resid  323 and name hn   )(resid  323 and name ha   ) 2.7  0.0  5.0   !n 1.000000 9 1 cnh 
 assign(resid  323 and name hn   )(resid  323 and name hg2+ ) 0.0  0.0  5.0   !n 1.000000 7 1 cnh 
 assign(resid  323 and name hn   )(resid  323 and name hb   ) 0.0  0.0  2.7   !n 1.000000 7 1 hnh 
 assign(resid  325 and name hn   )(resid  325 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 13 1 cnh 
 assign(resid  325 and name hn   )(resid  325 and name ha   ) 2.7  0.0  5.0   !n 1.000000 5 1 cnh 
 assign(resid  326 and name hn   )(resid  326 and name ha   ) 2.7  0.0  5.0   !n 1.000000 1 1 cnh 
 assign(resid  326 and name he2+ )(resid  326 and name hb+  ) 0.0  0.0  7.1   !n 1.000000 1395 1 
 assign(resid  326 and name hn   )(resid  326 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 5 1 cnh 
 assign(resid  326 and name hn   )(resid  326 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 0 1 cnh 
 assign(resid  327 and name hn   )(resid  327 and name ha1  ) 2.7  0.0  5.0   !n 1.000000 2 1 hnh 
 assign(resid  328 and name hg1+ )(resid  328 and name ha   ) 0.0  0.0  3.5   ! cch 
 assign(resid  328 and name hg2+ )(resid  328 and name ha   ) 0.0  0.0  3.5   ! cch 
 assign(resid  328 and name hn   )(resid  328 and name ha   ) 2.7  0.0  5.0   !n 1.000000 0 1 cnh 
 assign(resid  328 and name hn   )(resid  328 and name hg2+ ) 0.0  0.0  3.5   !n 1.000000 6 1 cnh 
 assign(resid  328 and name hn   )(resid  328 and name hb   ) 0.0  0.0  2.7   !n 1.000000 3 1 cnh 
 assign(resid  328 and name hn   )(resid  328 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 11 1 cnh 
 assign(resid  329 and name hn   )(resid  329 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 4 1 cnh 
 assign(resid  329 and name hn   )(resid  329 and name ha   ) 2.7  0.0  5.0   !n 1.000000 3 1 cnh 
 assign(resid  330 and name hn   )(resid  330 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 0 1 cnh 
 assign(resid  330 and name hn   )(resid  330 and name ha   ) 2.7  0.0  5.0   !n 1.000000 2 1 cnh 
 assign(resid  330 and name hn   )(resid  330 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 6 1 cnh 
 assign(resid  331 and name hn   )(resid  331 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 1044 1 
 assign(resid  331 and name hn   )(resid  331 and name he+  ) 0.0  0.0  4.0   !n 1.000000 1040 3 
 assign(resid  331 and name hn   )(resid  331 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 1042 2 
 assign(resid  332 and name hn   )(resid  332 and name hb   ) 0.0  0.0  2.7   !n 1.000000 1203 1 
 assign(resid  332 and name hn   )(resid  332 and name ha   ) 2.7  0.0  5.0   ! ! hnh 3292 ha 
 assign(resid  333 and name hn   )(resid  333 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 641 1 
 assign(resid  333 and name hn   )(resid  333 and name ha   ) 2.7  0.0  5.0   !n 1.000000 637 2 
 assign(resid  333 and name hn   )(resid  333 and name hg   ) 0.0  0.0  4.2   !n 1.000000 644 2 
 assign(resid  334 and name hn   )(resid  334 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 1520 1 
 assign(resid  334 and name hn   )(resid  334 and name ha   ) 2.7  0.0  5.0   ! ! hnh 3188 ha 
 assign(resid  335 and name hn   )(resid  335 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 1217 2 
 assign(resid  336 and name hn   )(resid  336 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 952 1 
 assign(resid  337 and name hn   )(resid  337 and name ha   ) 0.0  0.0  2.7   ! ! hnh 2812 ha 
 assign(resid  337 and name hn   )(resid  337 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 1072 2 
 assign(resid  338 and name he22 )(resid  338 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 1507 1 
 assign(resid  338 and name he21 )(resid  338 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 1501 1 
 assign(resid  338 and name hn   )(resid  338 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 919 1 
 assign(resid  338 and name he21 )(resid  338 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 1506 1 
 assign(resid  338 and name he21 )(resid  338 and name ha   ) 0.0  0.0  5.5   !n 1.000000 1487 1 
 assign(resid  338 and name hn   )(resid  338 and name ha   ) 2.7  0.0  5.0   !n 1.000000 913 1 
 assign(resid  338 and name hn   )(resid  338 and name hg+  ) 0.0  0.0  4.0   !n 1.000000 918 1 
 assign(resid  338 and name he22 )(resid  338 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 1499 1 
 assign(resid  339 and name hn   )(resid  339 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 714 2 
 assign(resid  339 and name hn   )(resid  339 and name ha   ) 2.7  0.0  5.0   ! ! hnh 2795 ha 
 assign(resid  339 and name hn   )(resid  339 and name hg   ) 0.0  0.0  3.2   !n 1.000000 717 3 
 assign(resid  340 and name hn   )(resid  340 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 1297 1 
 assign(resid  341 and name hn   )(resid  341 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 1377 1 
 assign(resid  341 and name hn   )(resid  341 and name ha   ) 2.7  0.0  5.0   !n 1.000000 1379 1 
 assign(resid  342 and name hn   )(resid  342 and name hd++ ) 0.0  0.0  4.2   !n 1.000000 13 1 hnh 
 assign(resid  342 and name hn   )(resid  342 and name hb2  ) 0.0  0.0  2.7   !n 1.000000 9 1 hnh 
 assign(resid  342 and name hn   )(resid  342 and name ha   ) 2.7  0.0  5.0   !n 1.000000 6 1 hnh 
 assign(resid  342 and name hn   )(resid  342 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 10 1 hnh 
 assign(resid  342 and name hn   )(resid  342 and name hg   ) 0.0  0.0  2.7   !n 1.000000 8 1 hnh 
 assign(resid  343 and name hn   )(resid  343 and name ha   ) 2.7  0.0  5.0   !n 1.000000 4 1 cnh 
 assign(resid  343 and name hn   )(resid  343 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 2 1 cnh 
 assign(resid  344 and name hn   )(resid  344 and name hb2  ) 0.0  0.0  4.2   !n 1.000000 8 1 hnh 
 assign(resid  344 and name hn   )(resid  344 and name ha   ) 2.7  0.0  5.0   !n 1.000000 5 1 cnh 
 assign(resid  344 and name hn   )(resid  344 and name hb1  ) 0.0  0.0  2.7   !n 1.000000 9 1 hnh 
 assign(resid  345 and name hn   )(resid  345 and name hg+  ) 0.0  0.0  3.5   !n 1.000000 4 1 cnh 
 assign(resid  345 and name hn   )(resid  345 and name hb2  ) 0.0  0.0  2.7   !n 1.000000 4 1 hnh 
 assign(resid  345 and name hn   )(resid  345 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 3 1 hnh 
 assign(resid  345 and name hn   )(resid  345 and name ha   ) 2.7  0.0  5.0   !n 1.000000 1 1 cnh 
 assign(resid  346 and name hn   )(resid  346 and name hg2+ ) 0.0  0.0  3.5   !n 1.000000 6 1 cnh 
 assign(resid  346 and name hn   )(resid  346 and name ha   ) 2.7  0.0  5.0   !n 1.000000 1 1 cnh 
 assign(resid  346 and name hn   )(resid  346 and name hb   ) 0.0  0.0  4.2   !n 1.000000 0 1 cnh 
 assign(resid  348 and name hn   )(resid  348 and name ha   ) 2.7  0.0  5.0   !n 1.000000 2 1 cnh 
 assign(resid  348 and name hn   )(resid  348 and name hb2  ) 0.0  0.0  3.2   !n 1.000000 8 1 hnh 
 assign(resid  348 and name hn   )(resid  348 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 9 1 hnh 
 assign(resid  348 and name hn   )(resid  348 and name hg+  ) 0.0  0.0  4.0   !n 1.000000 3 1 cnh 
 assign(resid  349 and name hn   )(resid  349 and name ha+  ) 0.0  0.0  3.5   !n 1.000000 1454 1 
 assign(resid  350 and name hn   )(resid  350 and name hg+  ) 0.0  0.0  3.5   !n 1.000000 776 2 
 assign(resid  350 and name hn   )(resid  350 and name hd+  ) 0.0  0.0  5.0   !n 1.000000 774 2 
 assign(resid  350 and name he   )(resid  350 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 98 1 
 assign(resid  350 and name hn   )(resid  350 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 775 1 
 assign(resid  350 and name he   )(resid  350 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 95 1 
 assign(resid  350 and name he   )(resid  350 and name hd+  ) 0.0  0.0  5.0   !n 1.000000 97 1 
 assign(resid  350 and name hn   )(resid  350 and name ha   ) 2.7  0.0  5.0   !n 1.000000 773 1 
 assign(resid  351 and name hn   )(resid  351 and name ha   ) 2.7  0.0  5.0   !n 1.000000 1343 2 
 assign(resid  351 and name hn   )(resid  351 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 1342 2 
 assign(resid  352 and name hn   )(resid  352 and name ha   ) 2.7  0.0  5.0   ! ! hnh 2981 ha 
 assign(resid  352 and name hn   )(resid  352 and name hg2+ ) 0.0  0.0  5.0   !n 1.000000 119 3 
 assign(resid  352 and name hn   )(resid  352 and name hd1+ ) 0.0  0.0  4.0   !n 1.000000 120 1 
 assign(resid  352 and name hn   )(resid  352 and name hb   ) 0.0  0.0  2.7   !n 1.000000 113 1 
 assign(resid  352 and name hn   )(resid  352 and name hg1+ ) 0.0  0.0  3.5   !n 1.000000 114 2 
 assign(resid  353 and name hn   )(resid  353 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 868 1 
 assign(resid  353 and name hn   )(resid  353 and name hb   ) 0.0  0.0  2.7   !n 1.000000 844 2 
 assign(resid  353 and name hn   )(resid  353 and name ha   ) 2.7  0.0  5.0   ! ! hnh 2964 ha 
 assign(resid  353 and name hn   )(resid  353 and name hg2+ ) 0.0  0.0  3.5   !n 1.000000 847 2 
 assign(resid  354 and name hn   )(resid  354 and name hg2+ ) 0.0  0.0  5.0   !n 1.000000 1058 1 
 assign(resid  354 and name hn   )(resid  354 and name hd1+ ) 0.0  0.0  6.3   !n 1.000000 1059 1 
 assign(resid  354 and name hn   )(resid  354 and name ha   ) 2.7  0.0  5.0   ! ! hnh 2861 ha 
 assign(resid  354 and name hn   )(resid  354 and name hg1+ ) 0.0  0.0  4.0   !n 1.000000 1055 3 
 assign(resid  354 and name hn   )(resid  354 and name hb   ) 0.0  0.0  3.2   !n 1.000000 1053 1 
 assign(resid  355 and name hn   )(resid  355 and name ha   ) 2.7  0.0  5.0   ! ! hnh 2546 ha 
 assign(resid  355 and name ha   )(resid  355 and name hb1  ) 0.0  0.0  3.2   ! 
 assign(resid  355 and name hn   )(resid  355 and name hg   ) 0.0  0.0  5.5   !n 1.000000 586 1 
 assign(resid  355 and name ha   )(resid  355 and name hb2  ) 0.0  0.0  2.7   ! 
 assign(resid  355 and name hn   )(resid  355 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 583 1 
 assign(resid  356 and name hn   )(resid  356 and name ha   ) 2.7  0.0  5.0   !n 1.000000 927 1 
 assign(resid  356 and name hn   )(resid  356 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 931 2 
 assign(resid  357 and name hn   )(resid  357 and name hg+  ) 0.0  0.0  4.0   !n 1.000000 1092 1 
 assign(resid  357 and name hn   )(resid  357 and name he+  ) 0.0  0.0  6.3   !n 1.000000 1089 1 
 assign(resid  357 and name hn   )(resid  357 and name hd+  ) 0.0  0.0  5.0   !n 1.000000 1091 2 
 assign(resid  357 and name hn   )(resid  357 and name ha   ) 2.7  0.0  5.0   !n 1.000000 1088 1 
 assign(resid  357 and name hn   )(resid  357 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 1090 1 
 assign(resid  358 and name hn   )(resid  358 and name ha   ) 2.7  0.0  5.0   ! ! hnh 2631 ha 
 assign(resid  359 and name he   )(resid  359 and name hd+  ) 0.0  0.0  4.0   !n 1.000000 144 1 
 assign(resid  359 and name hn   )(resid  359 and name ha   ) 2.7  0.0  5.0   !n 1.000000 8 1 hnh 
 assign(resid  359 and name he   )(resid  359 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 146 2 
 assign(resid  359 and name hn   )(resid  359 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 15 1 hnh 
 assign(resid  359 and name hn   )(resid  359 and name hd+  ) 0.0  0.0  5.0   !n 1.000000 5 1 cnh 
 assign(resid  359 and name hn   )(resid  359 and name hb2  ) 0.0  0.0  2.7   !n 1.000000 12 1 hnh 
 assign(resid  359 and name he   )(resid  359 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 145 1 
 assign(resid  359 and name hn   )(resid  359 and name hg+  ) 0.0  0.0  4.0   !n 1.000000 9 1 cnh 
 assign(resid  360 and name hn   )(resid  360 and name hb2  ) 0.0  0.0  3.2   !n 1.000000 12 1 hnh 
 assign(resid  360 and name hn   )(resid  360 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 11 1 hnh 
 assign(resid  360 and name hn   )(resid  360 and name ha   ) 2.7  0.0  5.0   !n 1.000000 8 1 hnh 
 assign(resid  361 and name hn   )(resid  361 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 4 1 cnh 
 assign(resid  361 and name hd22 )(resid  361 and name ha   ) 0.0  0.0  5.5   !n 1.000000 1415 1 
 assign(resid  361 and name hd21 )(resid  361 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 1402 1 
 assign(resid  361 and name hd21 )(resid  361 and name ha   ) 0.0  0.0  5.5   !n 1.000000 1404 1 
 assign(resid  361 and name hn   )(resid  361 and name ha   ) 2.7  0.0  5.0   !n 1.000000 2 1 cnh 
 assign(resid  361 and name hd22 )(resid  361 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 1414 1 
 assign(resid  362 and name hn   )(resid  362 and name hg   ) 0.0  0.0  3.2   !n 1.000000 7 1 cnh 
 assign(resid  362 and name hn   )(resid  362 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 973 2 
 assign(resid  362 and name hn   )(resid  362 and name ha   ) 2.7  0.0  5.0   !n 1.000000 4 1 hnh 
 assign(resid  363 and name hn   )(resid  363 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 5 1 cnh 
 assign(resid  363 and name he   )(resid  363 and name hd+  ) 0.0  0.0  6.3   !n 1.000000 109 1 
 assign(resid  363 and name hn   )(resid  363 and name ha   ) 2.7  0.0  5.0   !n 1.000000 1 1 cnh 
 assign(resid  363 and name hn   )(resid  363 and name hd+  ) 0.0  0.0  5.0   !n 1.000000 3 1 cnh 
 assign(resid  364 and name hn   )(resid  364 and name hg+  ) 0.0  0.0  4.0   !n 1.000000 4 1 cnh 
 assign(resid  364 and name hn   )(resid  364 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 6 1 cnh 
 assign(resid  364 and name hn   )(resid  364 and name ha   ) 2.7  0.0  5.0   !n 1.000000 0 1 cnh 
 assign(resid  365 and name he   )(resid  365 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 148 2 
 assign(resid  365 and name hn   )(resid  365 and name he   ) 0.0  0.0  5.5   !n 1.000000 16 1 hnh 
 assign(resid  365 and name hn   )(resid  365 and name hd+  ) 0.0  0.0  6.3   !n 1.000000 3 1 cnh 
 assign(resid  365 and name hn   )(resid  365 and name hg+  ) 0.0  0.0  4.0   !n 1.000000 8 1 cnh 
 assign(resid  365 and name he   )(resid  365 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 169 1 
 assign(resid  365 and name he   )(resid  365 and name ha   ) 3.2  0.0  5.0   !n 1.000000 149 1 
 assign(resid  365 and name he   )(resid  365 and name hd+  ) 0.0  0.0  5.0   !n 1.000000 147 3 
 assign(resid  365 and name hn   )(resid  365 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 5 1 cnh 
 assign(resid  366 and name hn   )(resid  366 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 2 1 cnh 
 assign(resid  366 and name hn   )(resid  366 and name ha   ) 2.7  0.0  5.0   !n 1.000000 6 1 cnh 
 assign(resid  367 and name hn   )(resid  367 and name hb   ) 0.0  0.0  2.7   !n 1.000000 6 1 cnh 
 assign(resid  367 and name hn   )(resid  367 and name ha   ) 2.7  0.0  5.0   !n 1.000000 0 1 cnh 
 assign(resid  368 and name hn   )(resid  368 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 9 1 cnh 
 assign(resid  368 and name hn   )(resid  368 and name hg+  ) 0.0  0.0  4.0   !n 1.000000 6 1 cnh 
 assign(resid  368 and name hn   )(resid  368 and name ha   ) 2.7  0.0  5.0   !n 1.000000 3 1 cnh 
 assign(resid  369 and name hn   )(resid  369 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 1 1 cnh 
 assign(resid  369 and name hn   )(resid  369 and name ha   ) 2.7  0.0  5.0   !n 1.000000 2 1 cnh 
 assign(resid  370 and name hn   )(resid  370 and name ha   ) 2.7  0.0  5.0   !n 1.000000 6 1 hnh 
 assign(resid  370 and name hn   )(resid  370 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 6 1 cnh 
 assign(resid  370 and name hn   )(resid  370 and name hd2+ ) 0.0  0.0  5.0   !n 1.000000 13 1 cnh 
 assign(resid  370 and name hn   )(resid  370 and name hd1+ ) 0.0  0.0  5.0   !n 1.000000 9 1 cnh 
 assign(resid  371 and name hn   )(resid  371 and name ha   ) 0.0  0.0  3.2   !n 1.000000 3 1 hnh 
 assign(resid  371 and name hn   )(resid  371 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 4 1 hnh 
 assign(resid  372 and name hn   )(resid  372 and name ha   ) 2.7  0.0  5.0   !n 1.000000 3 1 cnh 
 assign(resid  372 and name hn   )(resid  372 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 6 1 cnh 
 assign(resid  373 and name hn   )(resid  373 and name hb   ) 0.0  0.0  3.2   !n 1.000000 0 1 cnh 
 assign(resid  373 and name hn   )(resid  373 and name hg2+ ) 0.0  0.0  5.0   !n 1.000000 7 1 hnh 
 assign(resid  373 and name hn   )(resid  373 and name ha   ) 2.7  0.0  5.0   !n 1.000000 1 1 cnh 
 assign(resid  374 and name hn   )(resid  374 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 5 1 hnh 
 assign(resid  374 and name hn   )(resid  374 and name hb2  ) 0.0  0.0  2.7   !n 1.000000 6 1 hnh 
 assign(resid  374 and name hn   )(resid  374 and name ha   ) 2.7  0.0  5.0   !n 1.000000 2 1 cnh 
 assign(resid  375 and name hn   )(resid  375 and name hg2+ ) 0.0  0.0  4.0   !n 1.000000 6 1 cnh 
 assign(resid  375 and name hn   )(resid  375 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 11 1 cnh 
 assign(resid  375 and name hn   )(resid  375 and name ha   ) 2.7  0.0  5.0   !n 1.000000 5 1 hnh 
 assign(resid  375 and name hn   )(resid  375 and name hb   ) 0.0  0.0  3.2   !n 1.000000 4 1 cnh 
 assign(resid  377 and name hn   )(resid  377 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 9 1 cnh 
 assign(resid  377 and name hn   )(resid  377 and name ha   ) 2.7  0.0  5.0   !n 1.000000 4 1 cnh 
 assign(resid  378 and name hn   )(resid  378 and name hg2+ ) 0.0  0.0  4.0   !n 1.000000 2 1 hnh 
 assign(resid  378 and name hn   )(resid  378 and name ha   ) 2.7  0.0  5.0   !n 1.000000 2 1 hnh 
 assign(resid  379 and name hn   )(resid  379 and name ha   ) 2.7  0.0  5.0   !n 1.000000 4 1 cnh 
 assign(resid  379 and name hn   )(resid  379 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 3 1 hnh 
 assign(resid  380 and name hn   )(resid  380 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 4 1 cnh 
 assign(resid  380 and name hn   )(resid  380 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 3 1 cnh 
 assign(resid  380 and name hn   )(resid  380 and name ha   ) 2.7  0.0  5.0   !n 1.000000 5 1 hnh 
 assign(resid  381 and name hn   )(resid  381 and name ha   ) 2.7  0.0  5.0   !n 1.000000 2 1 cnh 
 assign(resid  381 and name hn   )(resid  381 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 1 1 cnh 
 assign(resid  382 and name hn   )(resid  382 and name ha   ) 0.0  0.0  2.7   !n 1.000000 3 1 cnh 
 assign(resid  382 and name hn   )(resid  382 and name hd+  ) 0.0  0.0  6.3   !n 1.000000 2 1 cnh 
 assign(resid  383 and name hn   )(resid  383 and name hg+  ) 0.0  0.0  4.0   !n 1.000000 5 1 cnh 
 assign(resid  383 and name hb+  )(resid  383 and name he+  ) 0.0  0.0  4.8   !n 1.000000 hand 1 hch 
 assign(resid  383 and name hn   )(resid  383 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 4 1 cnh 
 assign(resid  383 and name hn   )(resid  383 and name ha   ) 2.7  0.0  5.0   !n 1.000000 3 1 cnh 
 assign(resid  384 and name hn   )(resid  384 and name hb2  ) 0.0  0.0  4.2   !n 1.000000 14 1 hnh 
 assign(resid  384 and name hn   )(resid  384 and name hb1  ) 0.0  0.0  3.2   !n 1.000000 14 1 hnh 
 assign(resid  384 and name hn   )(resid  384 and name ha   ) 2.7  0.0  5.0   !n 1.000000 1 1 cnh 
 assign(resid  385 and name ha1  )(resid  385 and name hn   ) 0.0  0.0  3.2   !n 1.000000 hand 1 hnh 
 assign(resid  385 and name ha2  )(resid  385 and name hn   ) 2.7  0.0  5.0   !n 1.000000 hand 1 hnh 
 assign(resid  386 and name hn   )(resid  386 and name hg2+ ) 0.0  0.0  4.0   !n 1.000000 10 1 cnh 
 assign(resid  386 and name hn   )(resid  386 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 8 1 cnh 
 assign(resid  386 and name hn   )(resid  386 and name ha   ) 2.7  0.0  5.0   !n 1.000000 12 1 hnh 
 assign(resid  386 and name hn   )(resid  386 and name hd1+ ) 0.0  0.0  6.3   !n 1.000000 5 1 cnh 
 assign(resid  387 and name hn   )(resid  387 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 7 1 cnh 
 assign(resid  387 and name hn   )(resid  387 and name ha   ) 2.7  0.0  5.0   !n 1.000000 5 1 cnh 
 assign(resid  388 and name hn   )(resid  388 and name ha   ) 2.7  0.0  5.0   !n 1.000000 1 1 hch 
 assign(resid  388 and name hn   )(resid  388 and name hb   ) 0.0  0.0  5.5   !n 1.000000 3 1 cnh 
 assign(resid  388 and name hn   )(resid  388 and name hg2+ ) 0.0  0.0  3.5   !n 1.000000 9 1 cnh 
 assign(resid  388 and name hn   )(resid  388 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 7 1 cnh 
 assign(resid  389 and name hn   )(resid  389 and name hb2  ) 0.0  0.0  4.2   !n 1.000000 5 1 hnh 
 assign(resid  389 and name hn   )(resid  389 and name ha   ) 0.0  0.0  2.7   !n 1.000000 2 1 cnh 
 assign(resid  389 and name hn   )(resid  389 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 4 1 hnh 
 assign(resid  390 and name hn   )(resid  390 and name ha   ) 2.7  0.0  5.0   !n 1.000000 1 1 cnh 
 assign(resid  390 and name hd21 )(resid  390 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 1370 1 
 assign(resid  390 and name hn   )(resid  390 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 3 1 cnh 
 assign(resid  390 and name hd22 )(resid  390 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 1371 1 
 assign(resid  391 and name he   )(resid  391 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 3 1 hnh 
 assign(resid  391 and name hn   )(resid  391 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 8 1 hnh 
 assign(resid  391 and name hd2  )(resid  391 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 156 1 hch 
 assign(resid  391 and name hn   )(resid  391 and name hb2  ) 0.0  0.0  3.2   !n 1.000000 10 1 hnh 
 assign(resid  391 and name hd2  )(resid  391 and name hh11 ) 0.0  0.0  2.7   !n 1.000000 156 1 hch 
 assign(resid  391 and name hd1  )(resid  391 and name hb2  ) 0.0  0.0  3.2   !n 1.000000 155 1 hch 
 assign(resid  391 and name he   )(resid  391 and name ha   ) 0.0  0.0  5.5   !n 1.000000 11 1 hnh 
 assign(resid  391 and name hn   )(resid  391 and name hg+  ) 0.0  0.0  3.5   !n 1.000000 9 1 hnh 
 assign(resid  391 and name hd1  )(resid  391 and name ha   ) 0.0  0.0  5.5   !n 1.000000 155 1 hch 
 assign(resid  391 and name hd1  )(resid  391 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 155 1 hch 
 assign(resid  391 and name hd1  )(resid  391 and name hh11 ) 0.0  0.0  2.7   !n 1.000000 155 1 hch 
 assign(resid  391 and name hn   )(resid  391 and name hd+  ) 0.0  0.0  5.0   !n 1.000000 7 1 cnh 
 assign(resid  391 and name he   )(resid  391 and name hb2  ) 0.0  0.0  4.2   !n 1.000000 5 1 hnh 
 assign(resid  391 and name hd2  )(resid  391 and name ha   ) 0.0  0.0  5.5   !n 1.000000 156 1 hch 
 assign(resid  391 and name hn   )(resid  391 and name ha   ) 2.7  0.0  5.0   !n 1.000000 4 1 hnh 
 assign(resid  391 and name hd2  )(resid  391 and name hb2  ) 0.0  0.0  4.2   !n 1.000000 156 1 hch 
 assign(resid  392 and name hn   )(resid  392 and name he+  ) 0.0  0.0  6.3   !n 1.000000 8 1 cnh 
 assign(resid  392 and name hn   )(resid  392 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 6 1 hnh 
 assign(resid  392 and name hn   )(resid  392 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 5 1 cnh 
 assign(resid  392 and name hn   )(resid  392 and name hb2  ) 0.0  0.0  2.7   !n 1.000000 3 1 cnh 
 assign(resid  392 and name hn   )(resid  392 and name ha   ) 2.7  0.0  5.0   !n 1.000000 1 1 hnh 
 assign(resid  393 and name hn   )(resid  393 and name ha   ) 2.7  0.0  5.0   !n 1.000000 1 1 cnh 
 assign(resid  393 and name hn   )(resid  393 and name hd1+ ) 0.0  0.0  5.0   !n 1.000000 10 1 cnh 
 assign(resid  393 and name hn   )(resid  393 and name hg1+ ) 0.0  0.0  4.0   !n 1.000000 7 1 cnh 
 assign(resid  393 and name hn   )(resid  393 and name hb   ) 0.0  0.0  3.2   !n 1.000000 4 1 cnh 
 assign(resid  393 and name hn   )(resid  393 and name hg2+ ) 0.0  0.0  5.0   !n 1.000000 8 1 cnh 
 assign(resid  394 and name hn   )(resid  394 and name hd2  ) 0.0  0.0  5.5   !n 1.000000 0 1 cnh 
 assign(resid  394 and name hn   )(resid  394 and name ha   ) 2.7  0.0  5.0   !n 1.000000 4 1 cnh 
 assign(resid  394 and name ha   )(resid  394 and name hd1  ) 0.0  0.0  4.2   ! hgd 
 assign(resid  394 and name hn   )(resid  394 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 6 1 cnh 
 assign(resid  394 and name hn   )(resid  394 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 9 1 cnh 
 assign(resid  394 and name hn   )(resid  394 and name hd1  ) 0.0  0.0  5.5   !n 1.000000 0 1 cnh 
 assign(resid  394 and name ha   )(resid  394 and name hd2  ) 0.0  0.0  4.2   ! hgd 
 assign(resid  395 and name hn   )(resid  395 and name hd+  ) 0.0  0.0  6.3   !n 1.000000 1 1 cnh 
 assign(resid  395 and name hn   )(resid  395 and name ha   ) 2.7  0.0  5.0   !n 1.000000 1 1 hnh 
 assign(resid  395 and name hn   )(resid  395 and name hg+  ) 0.0  0.0  4.0   !n 1.000000 8 1 cnh 
 assign(resid  396 and name hn   )(resid  396 and name ha2  ) 2.7  0.0  5.0   !n 1.000000 11 1 hnh 
 assign(resid  396 and name hn   )(resid  396 and name ha1  ) 2.7  0.0  5.0   !n 1.000000 10 1 hnh 
 assign(resid  397 and name hn   )(resid  397 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 2 1 cnh 
 assign(resid  397 and name hn   )(resid  397 and name ha   ) 2.7  0.0  5.0   !n 1.000000 3 1 cnh 
 assign(resid  398 and name hn   )(resid  398 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 8 1 cnh 
 assign(resid  398 and name hn   )(resid  398 and name ha   ) 2.7  0.0  5.0   !n 1.000000 1 1 cnh 
 assign(resid  398 and name hn   )(resid  398 and name hb   ) 0.0  0.0  2.7   !n 1.000000 5 1 cnh 
 assign(resid  399 and name hn   )(resid  399 and name ha   ) 2.7  0.0  5.0   !n 1.000000 3 1 cnh 
 assign(resid  399 and name hn   )(resid  399 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 4 1 cnh 
 assign(resid  400 and name hn   )(resid  400 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 12 1 cnh 
 assign(resid  400 and name hn   )(resid  400 and name ha   ) 2.7  0.0  5.0   !n 1.000000 4 1 cnh 
 assign(resid  401 and name hn   )(resid  401 and name hg1+ ) 0.0  0.0  3.5   !n 1.000000 11 1 cnh 
 assign(resid  401 and name hn   )(resid  401 and name ha   ) 2.7  0.0  5.0   !n 1.000000 5 1 hnh 
 assign(resid  401 and name hg2+ )(resid  401 and name hd1+ ) 0.0  0.0  4.3   ! 
 assign(resid  401 and name hn   )(resid  401 and name hb   ) 0.0  0.0  2.7   !n 1.000000 7 1 cnh 
 assign(resid  401 and name hn   )(resid  401 and name hd1+ ) 0.0  0.0  5.0   !n 1.000000 14 1 cnh 
 assign(resid  402 and name hn   )(resid  402 and name hb1  ) 0.0  0.0  2.7   !n 1.000000 10 1 hnh 
 assign(resid  402 and name he   )(resid  402 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 286 1 
 assign(resid  402 and name hn   )(resid  402 and name hb2  ) 0.0  0.0  2.7   !n 1.000000 11 1 hnh 
 assign(resid  402 and name hn   )(resid  402 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 9 1 cnh 
 assign(resid  402 and name hn   )(resid  402 and name ha   ) 2.7  0.0  5.0   !n 1.000000 13 1 hnh 
 assign(resid  402 and name he   )(resid  402 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 287 1 
 assign(resid  402 and name he   )(resid  402 and name hd+  ) 0.0  0.0  4.0   !n 1.000000 285 1 
 assign(resid  402 and name hn   )(resid  402 and name hd+  ) 0.0  0.0  5.0   !n 1.000000 6 1 cnh 
 assign(resid  403 and name he   )(resid  403 and name hd+  ) 0.0  0.0  6.3   !n 1.000000 78 2 
 assign(resid  403 and name hn   )(resid  403 and name hg+  ) 0.0  0.0  4.0   !n 1.000000 7 1 cnh 
 assign(resid  403 and name he   )(resid  403 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 1515 2 
 assign(resid  403 and name hn   )(resid  403 and name ha   ) 2.7  0.0  5.0   !n 1.000000 1 1 cnh 
 assign(resid  404 and name hn   )(resid  404 and name hb2  ) 0.0  0.0  2.7   !n 1.000000 7 1 hnh 
 assign(resid  404 and name hn   )(resid  404 and name hd1  ) 0.0  0.0  4.2   !n 1.000000 3 1 hnh 
 assign(resid  404 and name hn   )(resid  404 and name ha   ) 2.7  0.0  5.0   !n 1.000000 8 1 cnh 
 assign(resid  404 and name hn   )(resid  404 and name hb1  ) 0.0  0.0  2.7   !n 1.000000 8 1 hnh 
 assign(resid  405 and name hn   )(resid  405 and name hb   ) 0.0  0.0  2.7   !n 1.000000 15 1 hnh 
 assign(resid  405 and name hn   )(resid  405 and name ha   ) 2.7  0.0  5.0   !n 1.000000 10 1 cnh 
 assign(resid  405 and name hn   )(resid  405 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 11 1 cnh 
 assign(resid  405 and name hn   )(resid  405 and name hg2+ ) 0.0  0.0  3.5   !n 1.000000 8 1 cnh 
 assign(resid  406 and name hn   )(resid  406 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 6 1 cnh 
 assign(resid  406 and name hn   )(resid  406 and name ha   ) 2.7  0.0  5.0   !n 1.000000 2 1 cnh 
 assign(resid  406 and name hn   )(resid  406 and name hg+  ) 0.0  0.0  3.5   !n 1.000000 4 1 cnh 
 assign(resid  407 and name hn   )(resid  407 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 11 1 cnh 
 assign(resid  407 and name hn   )(resid  407 and name ha   ) 2.7  0.0  5.0   !n 1.000000 4 1 cnh 
 assign(resid  408 and name hn   )(resid  408 and name hb2  ) 0.0  0.0  2.7   !n 1.000000 11 1 hnh 
 assign(resid  408 and name hd22 )(resid  408 and name ha   ) 0.0  0.0  5.5   !n 1.000000 1356 1 
 assign(resid  408 and name hn   )(resid  408 and name ha   ) 2.7  0.0  5.0   !n 1.000000 4 1 cnh 
 assign(resid  408 and name hd21 )(resid  408 and name ha   ) 0.0  0.0  5.5   !n 1.000000 1359 1 
 assign(resid  408 and name hd22 )(resid  408 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 1357 1 
 assign(resid  408 and name hn   )(resid  408 and name hd21 ) 0.0  0.0  5.5   !n 1.000000 0 1 hnh 
 assign(resid  408 and name hn   )(resid  408 and name hd22 ) 0.0  0.0  5.5   !n 1.000000 22 1 hnh 
 assign(resid  408 and name hd21 )(resid  408 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 1361 1 
 assign(resid  409 and name hn   )(resid  409 and name ha+  ) 0.0  0.0  3.5   !n 1.000000 4 1 cnh 
 assign(resid  410 and name hn   )(resid  410 and name ha1  ) 2.7  0.0  5.0   !n 1.000000 4 1 hnh 
 assign(resid  410 and name hn   )(resid  410 and name ha2  ) 2.7  0.0  5.0   !n 1.000000 10 1 hnh 
 assign(resid  411 and name hn   )(resid  411 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 4 1 cnh 
 assign(resid  411 and name hn   )(resid  411 and name ha   ) 2.7  0.0  5.0   !n 1.000000 2 1 cnh 
 assign(resid  412 and name hn   )(resid  412 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 2 1 cnh 
 assign(resid  412 and name hn   )(resid  412 and name ha   ) 2.7  0.0  5.0   !n 1.000000 5 1 cnh 
 assign(resid  412 and name hn   )(resid  412 and name hd1  ) 2.7  0.0  5.0   !n 1.000000 0 1 hnh 
 assign(resid  412 and name hn   )(resid  412 and name hd2  ) 2.7  0.0  5.0   !n 1.000000 0 1 hnh 
 assign(resid  414 and name hn   )(resid  414 and name hb   ) 0.0  0.0  3.2   !n 1.000000 0 1 cnh 
 assign(resid  414 and name hn   )(resid  414 and name ha   ) 2.7  0.0  5.0   !n 1.000000 1 1 cnh 
 assign(resid  414 and name hn   )(resid  414 and name hg2+ ) 0.0  0.0  3.5   !n 1.000000 4 1 cnh 
 assign(resid  415 and name hn   )(resid  415 and name ha   ) 2.7  0.0  5.0   !n 1.000000 7 1 hnh 
 assign(resid  415 and name hn   )(resid  415 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 3 1 cnh 
 assign(resid  416 and name hn   )(resid  416 and name hg2+ ) 0.0  0.0  3.5   !n 1.000000 9 1 cnh 
 assign(resid  416 and name hn   )(resid  416 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 15 1 hnh 
 assign(resid  416 and name hn   )(resid  416 and name ha   ) 2.7  0.0  5.0   !n 1.000000 0 1 cnh 
 assign(resid  416 and name hn   )(resid  416 and name hb   ) 0.0  0.0  2.7   !n 1.000000 6 1 cnh 
 assign(resid  417 and name hn   )(resid  417 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 4 1 cnh 
 assign(resid  417 and name hn   )(resid  417 and name ha   ) 2.7  0.0  5.0   !n 1.000000 3 1 cnh 
 assign(resid  418 and name hn   )(resid  418 and name ha   ) 2.7  0.0  5.0   !n 1.000000 4 1 hnh 
 assign(resid  418 and name hn   )(resid  418 and name hg+  ) 0.0  0.0  3.5   !n 1.000000 3 1 cnh 
 assign(resid  418 and name hn   )(resid  418 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 5 1 cnh 
 assign(resid  419 and name hn   )(resid  419 and name ha   ) 2.7  0.0  5.0   !n 1.000000 1 1 cnh 
 assign(resid  419 and name hn   )(resid  419 and name hd+  ) 0.0  0.0  5.0   !n 1.000000 9 1 cnh 
 assign(resid  419 and name hn   )(resid  419 and name hg+  ) 0.0  0.0  3.5   !n 1.000000 11 1 cnh 
 assign(resid  419 and name hn   )(resid  419 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 7 1 cnh 
 assign(resid  419 and name hn   )(resid  419 and name he+  ) 0.0  0.0  5.0   !n 1.000000 3 1 cnh 
 assign(resid  420 and name hn   )(resid  420 and name hb   ) 0.0  0.0  2.7   !n 1.000000 5 1 cnh 
 assign(resid  420 and name hn   )(resid  420 and name ha   ) 2.7  0.0  5.0   !n 1.000000 0 1 cnh 
 assign(resid  421 and name hn   )(resid  421 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 4 1 cnh 
 assign(resid  421 and name hn   )(resid  421 and name ha   ) 2.7  0.0  5.0   !n 1.000000 3 1 cnh 
 assign(resid  422 and name hn   )(resid  422 and name ha   ) 2.7  0.0  5.0   !n 1.000000 7 1 hnh 
 assign(resid  422 and name hn   )(resid  422 and name hg+  ) 0.0  0.0  3.5   !n 1.000000 3 1 cnh 
 assign(resid  422 and name hn   )(resid  422 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 7 1 cnh 
 assign(resid  423 and name hn   )(resid  423 and name hb   ) 0.0  0.0  2.7   !n 1.000000 14 1 hnh 
 assign(resid  423 and name hn   )(resid  423 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 12 1 cnh 
 assign(resid  423 and name hn   )(resid  423 and name hg2+ ) 0.0  0.0  3.5   !n 1.000000 11 1 cnh 
 assign(resid  423 and name hn   )(resid  423 and name ha   ) 2.7  0.0  5.0   !n 1.000000 2 1 cnh 
 assign(resid  424 and name hn   )(resid  424 and name ha   ) 2.7  0.0  5.0   !n 1.000000 2 1 cnh 
 assign(resid  424 and name hn   )(resid  424 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 8 1 cnh 
 assign(resid  425 and name hn   )(resid  425 and name ha   ) 2.7  0.0  5.0   !n 1.000000 2 1 hnh 
 assign(resid  425 and name hn   )(resid  425 and name hd2  ) 0.0  0.0  5.5   !n 1.000000 11 1 hnh 
 assign(resid  425 and name hn   )(resid  425 and name hg+  ) 0.0  0.0  4.0   !n 1.000000 6 1 hnh 
 assign(resid  425 and name hn   )(resid  425 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 8 1 cnh 
 assign(resid  425 and name hn   )(resid  425 and name hd1  ) 0.0  0.0  5.5   !n 1.000000 3 1 hnh 
 assign(resid  425 and name he   )(resid  425 and name hd+  ) 0.0  0.0  5.0   !n 1.000000 77 1 
 assign(resid  426 and name hn   )(resid  426 and name hg+  ) 0.0  0.0  4.0   !n 1.000000 8 1 cnh 
 assign(resid  426 and name hn   )(resid  426 and name ha   ) 2.7  0.0  5.0   !n 1.000000 5 1 cnh 
 assign(resid  427 and name hn   )(resid  427 and name ha2  ) 0.0  0.0  2.7   !n 1.000000 8 1 hnh 
 assign(resid  428 and name hn   )(resid  428 and name ha   ) 2.7  0.0  3.2   !n 1.000000 3 1 cnh 
 assign(resid  428 and name hn   )(resid  428 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 9 1 cnh 
 assign(resid  429 and name hn   )(resid  429 and name ha   ) 3.2  0.0  5.0   !n 1.000000 5 1 cnh 
 assign(resid  429 and name hn   )(resid  429 and name hg2+ ) 0.0  0.0  5.0   !n 1.000000 12 1 cnh 
 assign(resid  429 and name hn   )(resid  429 and name hb   ) 0.0  0.0  3.2   !n 1.000000 4 1 cnh 
 assign(resid  431 and name hn   )(resid  431 and name hd++ ) 0.0  0.0  4.7   !n 1.000000 10 1 cnh 
 assign(resid  431 and name hn   )(resid  431 and name hg   ) 0.0  0.0  3.2   !n 1.000000 8 1 cnh 
 assign(resid  431 and name hn   )(resid  431 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 5 1 cnh 
 assign(resid  431 and name hn   )(resid  431 and name ha   ) 2.7  0.0  5.0   !n 1.000000 3 1 cnh 
 assign(resid  432 and name hn   )(resid  432 and name hb   ) 0.0  0.0  3.2   !n 1.000000 4 1 cnh 
 assign(resid  432 and name hn   )(resid  432 and name ha   ) 2.7  0.0  5.0   !n 1.000000 13 1 cnh 
 assign(resid  433 and name hn   )(resid  433 and name hg2+ ) 0.0  0.0  4.0   !n 1.000000 9 1 cnh 
 assign(resid  433 and name hn   )(resid  433 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 1 1 cnh 
 assign(resid  433 and name hn   )(resid  433 and name hb   ) 0.0  0.0  2.7   !n 1.000000 8 1 hnh 
 assign(resid  433 and name hn   )(resid  433 and name ha   ) 2.7  0.0  5.0   !n 1.000000 0 1 cnh 
 assign(resid  434 and name hn   )(resid  434 and name hb   ) 0.0  0.0  4.2   !n 1.000000 5 1 cnh 
 assign(resid  434 and name hb   )(resid  434 and name ha   ) 0.0  0.0  2.7   !n 1.000000 hand 1 hch 
 assign(resid  434 and name hn   )(resid  434 and name ha   ) 2.7  0.0  5.0   !n 1.000000 3 1 cnh 
 assign(resid  435 and name hn   )(resid  435 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 5 1 cnh 
 assign(resid  435 and name hn   )(resid  435 and name hg+  ) 0.0  0.0  4.0   !n 1.000000 4 1 hnh 
 assign(resid  435 and name hn   )(resid  435 and name ha   ) 2.7  0.0  5.0   !n 1.000000 2 1 hnh 
 assign(resid  436 and name hn   )(resid  436 and name ha+  ) 0.0  0.0  3.5   !n 1.000000 2 1 cnh 
 assign(resid  437 and name hn   )(resid  437 and name hb2  ) 0.0  0.0  4.2   !n 1.000000 4 1 hnh 
 assign(resid  437 and name hn   )(resid  437 and name ha   ) 2.7  0.0  5.0   !n 1.000000 1 1 cnh 
 assign(resid  437 and name hn   )(resid  437 and name hb1  ) 0.0  0.0  3.2   !n 1.000000 5 1 hnh 
 assign(resid  438 and name he   )(resid  438 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 94 1 
 assign(resid  438 and name hn   )(resid  438 and name hb1  ) 0.0  0.0  3.2   !n 1.000000 7 1 hnh 
 assign(resid  438 and name hn   )(resid  438 and name ha   ) 2.7  0.0  5.0   !n 1.000000 5 1 cnh 
 assign(resid  438 and name he   )(resid  438 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 93 2 
 assign(resid  438 and name hn   )(resid  438 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 9 1 cnh 
 assign(resid  438 and name hn   )(resid  438 and name hb2  ) 0.0  0.0  4.2   !n 1.000000 8 1 cnh 
 assign(resid  438 and name he   )(resid  438 and name hd+  ) 0.0  0.0  4.0   !n 1.000000 92 4 
 assign(resid  438 and name hn   )(resid  438 and name hd+  ) 0.0  0.0  6.3   !n 1.000000 7 1 cnh 
 assign(resid  439 and name hn   )(resid  439 and name ha   ) 2.7  0.0  5.0   !n 1.000000 1 1 cnh 
 assign(resid  439 and name hn   )(resid  439 and name hg2+ ) 0.0  0.0  3.5   !n 1.000000 13 1 hnh 
 assign(resid  439 and name hn   )(resid  439 and name hb   ) 0.0  0.0  3.2   !n 1.000000 5 1 cnh 
 assign(resid  439 and name hn   )(resid  439 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 16 1 hnh 
 assign(resid  440 and name hn   )(resid  440 and name hb1  ) 0.0  0.0  3.2   !n 1.000000 3 1 hnh 
 assign(resid  440 and name hn   )(resid  440 and name hb2  ) 0.0  0.0  4.2   !n 1.000000 4 1 hnh 
 assign(resid  440 and name hn   )(resid  440 and name hg   ) 0.0  0.0  4.2   !n 1.000000 13 1 hnh 
 assign(resid  440 and name hn   )(resid  440 and name ha   ) 2.7  0.0  5.0   !n 1.000000 2 1 cnh 
 assign(resid  441 and name hn   )(resid  441 and name ha1  ) 2.7  0.0  5.0   ! 
 assign(resid  441 and name hn   )(resid  441 and name ha2  ) 2.7  0.0  5.0   !n 1.000000 6 1 cnh 
 assign(resid  442 and name hn   )(resid  442 and name hb   ) 0.0  0.0  3.2   !n 1.000000 6 1 cnh 
 assign(resid  442 and name hn   )(resid  442 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 16 1 cnh 
 assign(resid  442 and name hn   )(resid  442 and name ha   ) 2.7  0.0  5.0   !n 1.000000 0 1 cnh 
 assign(resid  442 and name hn   )(resid  442 and name hg2+ ) 0.0  0.0  4.0   !n 1.000000 9 1 cnh 
 assign(resid  443 and name hn   )(resid  443 and name ha   ) 2.7  0.0  5.0   !n 1.000000 14 1 cnh 
 assign(resid  443 and name hn   )(resid  443 and name hg1+ ) 0.0  0.0  4.0   !n 1.000000 5 1 cnh 
 assign(resid  443 and name hn   )(resid  443 and name hg2+ ) 0.0  0.0  5.0   !n 1.000000 8 1 cnh 
 assign(resid  443 and name hg2+ )(resid  443 and name ha   ) 0.0  0.0  4.0    
 assign(resid  443 and name hn   )(resid  443 and name hb   ) 0.0  0.0  3.2   !n 1.000000 3 1 cnh 
 assign(resid  443 and name hn   )(resid  443 and name hd1+ ) 0.0  0.0  5.0   !n 1.000000 9 1 cnh 
 assign(resid  444 and name hn   )(resid  444 and name ha   ) 2.7  0.0  5.0   !n 1.000000 3 1 cnh 
 assign(resid  444 and name hn   )(resid  444 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 10 1 cnh 
 assign(resid  445 and name hn   )(resid  445 and name hd++ ) 0.0  0.0  5.7   !n 1.000000 6 1 hnh 
 assign(resid  445 and name hn   )(resid  445 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 9 1 hnh 
 assign(resid  445 and name hn   )(resid  445 and name ha   ) 2.7  0.0  5.0   !n 1.000000 8 1 cnh 
 assign(resid  445 and name hn   )(resid  445 and name hb2  ) 0.0  0.0  3.2   !n 1.000000 3 1 hnh 
 assign(resid  445 and name hn   )(resid  445 and name hg   ) 0.0  0.0  4.2   !n 1.000000 4 1 cnh 
 assign(resid  446 and name hn   )(resid  446 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 5 1 cnh 
 assign(resid  446 and name hn   )(resid  446 and name he+  ) 0.0  0.0  6.3   !n 1.000000 11 1 cnh 
 assign(resid  446 and name hn   )(resid  446 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 7 1 cnh 
 assign(resid  446 and name hn   )(resid  446 and name hd+  ) 0.0  0.0  5.0   !n 1.000000 10 1 cnh 
 assign(resid  446 and name hn   )(resid  446 and name ha   ) 2.7  0.0  5.0   !n 1.000000 3 1 cnh 
 assign(resid  447 and name hn   )(resid  447 and name hb1  ) 0.0  0.0  2.7   !n 1.000000 6 1 hnh 
 assign(resid  447 and name hn   )(resid  447 and name hb2  ) 0.0  0.0  2.7   !n 1.000000 7 1 hnh 
 assign(resid  448 and name hn   )(resid  448 and name hg2+ ) 0.0  0.0  4.0   !n 1.000000 7 1 cnh 
 assign(resid  448 and name hn   )(resid  448 and name hb   ) 0.0  0.0  2.7   !n 1.000000 5 1 cnh 
 assign(resid  448 and name hn   )(resid  448 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 9 1 cnh 
 assign(resid  448 and name hn   )(resid  448 and name ha   ) 2.7  0.0  5.0   !n 1.000000 3 1 cnh 
 assign(resid  448 and name hn   )(resid  448 and name hd1+ ) 0.0  0.0  5.0   !n 1.000000 8 1 cnh 
 assign(resid  449 and name hn   )(resid  449 and name hb   ) 0.0  0.0  2.7   ! 
 assign(resid  449 and name hn   )(resid  449 and name ha   ) 2.7  0.0  5.0   ! 
 assign(resid  450 and name hn   )(resid  450 and name ha   ) 2.7  0.0  5.0   ! 

! sequential

 assign(resid  318 and name hn   )(resid  317 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 6 1 cnh 
 assign(resid  318 and name hn   )(resid  317 and name hn   ) 3.2  0.0  5.0   !n 1.000000 8 1 hnh 
 assign(resid  318 and name hn   )(resid  317 and name ha   ) 0.0  0.0  2.7   !n 1.000000 1 1 cnh 
 assign(resid  319 and name hn   )(resid  318 and name ha   ) 0.0  0.0  2.7   !n 1.000000 6 1 hnh 
 assign(resid  319 and name hn   )(resid  318 and name hn   ) 3.2  0.0  5.0   !n 1.000000 0 1 hnh 
 assign(resid  319 and name hn   )(resid  318 and name hb+  ) 0.0  0.0  5.0   ! 
 assign(resid  319 and name hn   )(resid  320 and name hn   ) 3.2  0.0  5.0   !n 1.000000 12 1 hnh 
 assign(resid  320 and name hn   )(resid  319 and name ha   ) 0.0  0.0  2.7   !n 1.000000 6 1 cnh 
 assign(resid  320 and name ha   )(resid  321 and name hg+  ) 0.0  0.0  6.3   ! 
 assign(resid  320 and name hn   )(resid  319 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 3 1 cnh 
 assign(resid  320 and name hn   )(resid  321 and name hn   ) 0.0  0.0  2.7   !n 1.000000 0 1 hnh 
 assign(resid  321 and name hn   )(resid  320 and name ha   ) 2.7  0.0  5.0   !n 1.000000 2 1 cnh 
 assign(resid  321 and name hn   )(resid  320 and name hb2  ) 0.0  0.0  3.2   !n 1.000000 8 1 hnh 
 assign(resid  321 and name hn   )(resid  322 and name hn   ) 3.2  0.0  5.0   !n 1.000000 0 1 hnh 
 assign(resid  321 and name hn   )(resid  320 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 9 1 hnh 
 assign(resid  322 and name hn   )(resid  321 and name hg+  ) 0.0  0.0  4.0   !n 1.000000 3 1 cnh 
 assign(resid  322 and name hn   )(resid  321 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 4 1 cnh 
 assign(resid  322 and name hn   )(resid  323 and name hn   ) 3.2  0.0  5.0   !n 1.000000 hand 1 nnh 
 assign(resid  322 and name hn   )(resid  323 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 8 1 cnh 
 assign(resid  322 and name ha   )(resid  323 and name hg1+ ) 0.0  0.0  5.0   ! 
 assign(resid  322 and name hn   )(resid  321 and name ha   ) 0.0  0.0  2.7   !n 1.000000 3 1 hnh 
 assign(resid  322 and name ha   )(resid  323 and name hd1+ ) 0.0  0.0  6.3   ! 
 assign(resid  322 and name ha   )(resid  321 and name hg+  ) 0.0  0.0  6.3   ! 
 assign(resid  322 and name ha   )(resid  321 and name hb+  ) 0.0  0.0  6.3   ! 
 assign(resid  323 and name hn   )(resid  322 and name ha   ) 0.0  0.0  2.7   !n 1.000000 1 1 cnh 
 assign(resid  323 and name hn   )(resid  324 and name hd2  ) 3.2  0.0  5.0   !n 1.000000 12 1 hnh 
 assign(resid  323 and name hn   )(resid  324 and name hd1  ) 3.2  0.0  5.0   !n 1.000000 4 1 hnh 
 assign(resid  323 and name hg2+ )(resid  324 and name hd+  ) 0.0  0.0  4.3   !n 1.000000 7 1 hnh 
 assign(resid  323 and name hn   )(resid  322 and name hb2  ) 0.0  0.0  4.2   !n 1.000000 5 1 hnh 
 assign(resid  324 and name hd1  )(resid  323 and name ha   ) 0.0  0.0  2.7   !n 1.000000 7 1 hnh 
 assign(resid  324 and name hd2  )(resid  323 and name ha   ) 0.0  0.0  2.7   !n 1.000000 7 1 hnh 
 assign(resid  325 and name hn   )(resid  324 and name ha   ) 0.0  0.0  2.7   !n 1.000000 3 1 cnh 
 assign(resid  325 and name hn   )(resid  326 and name hn   ) 3.2  0.0  5.0   !n 1.000000 0 1 hnh 
 assign(resid  325 and name ha   )(resid  326 and name hb+  ) 0.0  0.0  5.0   ! 
 assign(resid  325 and name hn   )(resid  324 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 6 1 hnh 
 assign(resid  325 and name hn   )(resid  324 and name hb2  ) 0.0  0.0  5.5   !n 1.000000 9 1 hnh 
 assign(resid  326 and name hn   )(resid  325 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 7 1 cnh 
 assign(resid  326 and name hn   )(resid  325 and name ha   ) 0.0  0.0  2.7   !n 1.000000 2 1 cnh 
 assign(resid  326 and name hn   )(resid  327 and name hn   ) 3.2  0.0  5.0   !n 1.000000 11 1 hnh 
 assign(resid  327 and name hn   )(resid  326 and name ha   ) 0.0  0.0  2.7   !n 1.000000 0 1 cnh 
 assign(resid  327 and name hn   )(resid  328 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 4 1 cnh 
 assign(resid  327 and name ha+  )(resid  328 and name hg2+ ) 0.0  0.0  4.8   ! 
 assign(resid  327 and name hn   )(resid  326 and name hb2  ) 0.0  0.0  4.2   !n 1.000000 7 1 hnh 
 assign(resid  327 and name ha+  )(resid  326 and name hg+  ) 0.0  0.0  4.8   ! 
 assign(resid  327 and name hn   )(resid  328 and name hn   ) 0.0  0.0  2.7   !n 1.000000 0 1 hnh 
 assign(resid  327 and name hn   )(resid  326 and name hg+  ) 0.0  0.0  4.0   !n 1.000000 2 1 cnh 
 assign(resid  327 and name hn   )(resid  326 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 6 1 hnh 
 assign(resid  328 and name ha   )(resid  329 and name hb+  ) 0.0  0.0  5.0   ! 
 assign(resid  328 and name ha   )(resid  327 and name ha+  ) 0.0  0.0  5.0   ! 
 assign(resid  328 and name hg1+ )(resid  329 and name ha   ) 0.0  0.0  5.0   ! cch 
 assign(resid  328 and name hn   )(resid  327 and name ha+  ) 0.0  0.0  3.5   !n 1.000000 2 1 cnh 
 assign(resid  329 and name hn   )(resid  328 and name hb   ) 0.0  0.0  4.2   !n 1.000000 5 1 cnh 
 assign(resid  329 and name hn   )(resid  328 and name hg1+ ) 0.0  0.0  4.0   !n 1.000000 0 1 cnh 
 assign(resid  329 and name hn   )(resid  330 and name hn   ) 3.2  0.0  5.0   !n 1.000000 0 1 hnh 
 assign(resid  329 and name hn   )(resid  328 and name ha   ) 0.0  0.0  2.7   !n 1.000000 2 1 cnh 
 assign(resid  329 and name hn   )(resid  328 and name hg2+ ) 0.0  0.0  5.0   !n 1.000000 8 1 hnh 
 assign(resid  330 and name hn   )(resid  329 and name ha   ) 0.0  0.0  2.7   !n 1.000000 3 1 cnh 
 assign(resid  330 and name hn   )(resid  329 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 5 1 cnh 
 assign(resid  330 and name hn   )(resid  331 and name hn   ) 0.0  0.0  3.2   !n 1.000000 0 1 hnh 
 assign(resid  330 and name hb2  )(resid  331 and name hn   ) 0.0  0.0  4.2   ! 
 assign(resid  331 and name hn   )(resid  330 and name ha   ) 0.0  0.0  5.5   ! ! hnh 2961 ha 
 assign(resid  331 and name hn   )(resid  332 and name hn   ) 0.0  0.0  2.7   ! ! hnh 885 hn 
 assign(resid  331 and name hn   )(resid  330 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 1041 1 
 assign(resid  332 and name hn   )(resid  333 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 1208 1 
 assign(resid  332 and name hn   )(resid  331 and name ha   ) 3.2  0.0  5.0   ! ! hnh 3292 ha 
 assign(resid  332 and name hn   )(resid  331 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 1209 2 
 assign(resid  332 and name hn   )(resid  331 and name he+  ) 0.0  0.0  5.0   !n 1.000000 1207 3 
 assign(resid  332 and name hn   )(resid  331 and name hd+  ) 0.0  0.0  6.3   !n 1.000000 1210 2 
 assign(resid  332 and name hn   )(resid  331 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 1211 1 
 assign(resid  333 and name hn   )(resid  332 and name hb   ) 0.0  0.0  3.2   !n 1.000000 633 1 
 assign(resid  333 and name hn   )(resid  332 and name hg2+ ) 0.0  0.0  4.0   !n 1.000000 646 2 
 assign(resid  333 and name hn   )(resid  332 and name ha   ) 0.0  0.0  5.5   !n 1.000000 634 1 
 assign(resid  333 and name hn   )(resid  332 and name hn   ) 0.0  0.0  2.7   ! ! hnh 917 hn 
 assign(resid  333 and name hn   )(resid  334 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 648 1 
 assign(resid  334 and name hn   )(resid  333 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 674 1 
 assign(resid  334 and name hn   )(resid  335 and name hn   ) 0.0  0.0  2.7   ! ! hnh 554 hn 
 assign(resid  334 and name hn   )(resid  333 and name ha   ) 3.2  0.0  5.0   ! ! hnh 3188 ha 
 assign(resid  334 and name hn   )(resid  333 and name hn   ) 0.0  0.0  2.7   ! ! hnh 1052 hn 
 assign(resid  334 and name hn   )(resid  333 and name hg   ) 0.0  0.0  4.2   !n 1.000000 675 3 
 assign(resid  335 and name ha   )(resid  334 and name hb+  ) 0.0  0.0  5.0   ! 
 assign(resid  335 and name hn   )(resid  334 and name ha   ) 0.0  0.0  4.2   !n 1.000000 1216 1 
 assign(resid  335 and name hn   )(resid  334 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 1222 1 
 assign(resid  335 and name hn   )(resid  336 and name hn   ) 0.0  0.0  2.7   ! ! hnh 883 hn 
 assign(resid  336 and name hn   )(resid  335 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 951 2 
 assign(resid  336 and name hn   )(resid  335 and name ha   ) 0.0  0.0  4.2   ! ! hnh 2625 ha 
 assign(resid  336 and name hn   )(resid  337 and name hn   ) 0.0  0.0  2.7   ! ! hnh 200 hn 
 assign(resid  337 and name hn   )(resid  336 and name ha   ) 3.2  0.0  5.0   ! ! hnh 2812 ha 
 assign(resid  337 and name ha   )(resid  336 and name ha   ) 0.0  0.0  5.5   ! 
 assign(resid  337 and name hn   )(resid  338 and name hn   ) 0.0  0.0  2.7   ! ! hnh 312 hn 
 assign(resid  338 and name hn   )(resid  339 and name hd++ ) 0.0  0.0  7.0   !n 1.000000 921 1 
 assign(resid  338 and name hn   )(resid  337 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 923 2 
 assign(resid  338 and name hn   )(resid  337 and name ha   ) 0.0  0.0  4.2   !n 1.000000 916 3 
 assign(resid  338 and name ha   )(resid  337 and name ha   ) 0.0  0.0  5.5   ! 
 assign(resid  339 and name hn   )(resid  338 and name ha   ) 3.2  0.0  5.0   ! ! hnh 2795 ha 
 assign(resid  339 and name hn   )(resid  338 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 715 1 
 assign(resid  339 and name hn   )(resid  338 and name hn   ) 0.0  0.0  2.7   ! ! hnh 313 hn 
 assign(resid  339 and name hn   )(resid  338 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 716 1 
 assign(resid  340 and name hn   )(resid  341 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 1287 1 
 assign(resid  340 and name hn   )(resid  339 and name ha   ) 0.0  0.0  5.5   !n 1.000000 1288 1 
 assign(resid  340 and name hn   )(resid  339 and name hg   ) 0.0  0.0  5.5   !n 1.000000 1300 3 
 assign(resid  340 and name hn   )(resid  339 and name hn   ) 0.0  0.0  2.7   ! ! nnh 4225 hn 
 assign(resid  340 and name hn   )(resid  339 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 1292 2 
 assign(resid  341 and name hn   )(resid  340 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 1385 1 
 assign(resid  341 and name hn   )(resid  340 and name ha   ) 2.7  0.0  5.0   !n 1.000000 1379 1 
 assign(resid  341 and name hn   )(resid  342 and name hd++ ) 0.0  0.0  5.7   !n 1.000000 1383 1 
 assign(resid  341 and name hn   )(resid  340 and name hn   ) 0.0  0.0  2.7   ! ! hnh 491 hn 
 assign(resid  342 and name hn   )(resid  341 and name ha   ) 0.0  0.0  3.2   !n 1.000000 3 1 hnh 
 assign(resid  342 and name hn   )(resid  341 and name hn   ) 0.0  0.0  2.7   !n 1.000000 22 1 hnh 
 assign(resid  342 and name hn   )(resid  341 and name hb+  ) 0.0  0.0  5.0   !n 1.000000 1 1 cnh 
 assign(resid  342 and name hn   )(resid  343 and name hn   ) 0.0  0.0  2.7   !n 1.000000 23 1 hnh 
 assign(resid  343 and name ha   )(resid  342 and name hb1  ) 0.0  0.0  5.5   ! 
 assign(resid  343 and name hn   )(resid  342 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 7 1 hnh 
 assign(resid  343 and name hn   )(resid  342 and name hd2+ ) 0.0  0.0  5.0   !n 1.000000 6 1 cnh 
 assign(resid  343 and name ha   )(resid  342 and name hb2  ) 0.0  0.0  4.2   ! 
 assign(resid  343 and name hn   )(resid  342 and name ha   ) 2.7  0.0  5.0   !n 1.000000 5 1 hnh 
 assign(resid  343 and name hn   )(resid  344 and name hn   ) 0.0  0.0  2.7   !n 1.000000 9 1 hnh 
 assign(resid  343 and name hn   )(resid  342 and name hd1+ ) 0.0  0.0  5.0   !n 1.000000 1 1 cnh 
 assign(resid  343 and name hn   )(resid  342 and name hg   ) 0.0  0.0  4.2   !n 1.000000 1 1 hnh 
 assign(resid  343 and name hn   )(resid  342 and name hb2  ) 0.0  0.0  4.2   !n 1.000000 6 1 hnh 
 assign(resid  344 and name hn   )(resid  343 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 11 1 cnh 
 assign(resid  344 and name hn   )(resid  343 and name ha   ) 2.7  0.0  5.0   !n 1.000000 6 1 cnh 
 assign(resid  344 and name ha   )(resid  343 and name hb+  ) 0.0  0.0  5.0   ! 
 assign(resid  344 and name ha   )(resid  345 and name hb1  ) 0.0  0.0  5.5   ! 
 assign(resid  344 and name ha   )(resid  345 and name ha   ) 0.0  0.0  5.5   ! 
 assign(resid  344 and name hn   )(resid  345 and name hn   ) 2.7  0.0  5.0   !n 1.000000 0 1 hnh 
 assign(resid  345 and name hn   )(resid  344 and name ha   ) 0.0  0.0  2.7   !n 1.000000 2 1 cnh 
 assign(resid  345 and name hn   )(resid  344 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 2 1 hnh 
 assign(resid  345 and name hn   )(resid  344 and name hb2  ) 0.0  0.0  3.2   !n 1.000000 1 1 hnh 
 assign(resid  345 and name hn   )(resid  346 and name hn   ) 0.0  0.0  2.7   !n 1.000000 0 1 hnh 
 assign(resid  345 and name hn   )(resid  346 and name hg2+ ) 0.0  0.0  5.0   !n 1.000000 0 1 cnh 
 assign(resid  346 and name hn   )(resid  347 and name hd+  ) 3.2  0.0  5.0   !n 1.000000 1428 1 
 assign(resid  346 and name hn   )(resid  345 and name hb2  ) 0.0  0.0  4.2   !n 1.000000 8 1 hnh 
 assign(resid  346 and name hn   )(resid  345 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 4 1 cnh 
 assign(resid  346 and name hn   )(resid  345 and name ha   ) 2.7  0.0  5.0   !n 1.000000 2 1 cnh 
 assign(resid  346 and name hn   )(resid  345 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 6 1 hnh 
 assign(resid  346 and name ha   )(resid  347 and name hg+  ) 0.0  0.0  5.0   ! 
 assign(resid  347 and name hd1  )(resid  346 and name ha   ) 0.0  0.0  2.7   ! 
 assign(resid  347 and name hd2  )(resid  346 and name ha   ) 0.0  0.0  2.7   ! 
 assign(resid  348 and name hn   )(resid  349 and name hn   ) 0.0  0.0  2.7   !n 1.000000 2 1 hnh 
 assign(resid  348 and name hn   )(resid  349 and name ha+  ) 0.0  0.0  6.3   !n 1.000000 0 1 cnh 
 assign(resid  348 and name hn   )(resid  347 and name ha   ) 2.7  0.0  5.0   !n 1.000000 1 1 cnh 
 assign(resid  348 and name hn   )(resid  347 and name hd1  ) 3.2  0.0  2.3   !n 1.000000 982 1 
 assign(resid  348 and name hn   )(resid  347 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 8 1 cnh 
 assign(resid  348 and name hn   )(resid  347 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 10 1 cnh 
 assign(resid  349 and name ha2  )(resid  348 and name hb1  ) 0.0  0.0  5.5   ! 
 assign(resid  349 and name hn   )(resid  348 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 1456 1 
 assign(resid  349 and name hn   )(resid  348 and name ha   ) 3.2  0.0  5.0   !n 1.000000 1454 1 
 assign(resid  349 and name hn   )(resid  350 and name hn   ) 0.0  0.0  2.7   ! ! hnh 305 hn 
 assign(resid  349 and name ha1  )(resid  348 and name hb1  ) 0.0  0.0  5.5   ! 
 assign(resid  349 and name hn   )(resid  348 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 1444 2 
 assign(resid  350 and name hn   )(resid  349 and name ha+  ) 2.7  0.0  5.0   !n 1.000000 773 1 
 assign(resid  351 and name hn   )(resid  350 and name hd+  ) 0.0  0.0  6.3   !n 1.000000 1328 2 
 assign(resid  351 and name hn   )(resid  350 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 1330 2 
 assign(resid  351 and name hn   )(resid  350 and name ha   ) 0.0  0.0  4.2   !n 1.000000 1326 2 
 assign(resid  351 and name hn   )(resid  350 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 1344 3 
 assign(resid  351 and name hn   )(resid  350 and name hn   ) 0.0  0.0  2.7   ! ! hnh 303 hn 
 assign(resid  352 and name hn   )(resid  351 and name hb+  ) 0.0  0.0  5.0   !n 1.000000 111 2 
 assign(resid  352 and name hn   )(resid  351 and name hn   ) 0.0  0.0  2.7   ! ! hnh 494 hn 
 assign(resid  352 and name hn   )(resid  351 and name ha   ) 0.0  0.0  4.2   !n 1.000000 112 2 
 assign(resid  352 and name hn   )(resid  353 and name hn   ) 0.0  0.0  2.7   ! ! hnh 882 hn 
 assign(resid  353 and name hn   )(resid  352 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 845 2 
 assign(resid  353 and name hn   )(resid  352 and name ha   ) 2.7  0.0  5.0   ! ! hnh 2964 ha 
 assign(resid  353 and name hn   )(resid  352 and name hb   ) 0.0  0.0  3.2   !n 1.000000 843 1 
 assign(resid  354 and name hn   )(resid  353 and name ha   ) 0.0  0.0  5.5   ! ! hnh 2960 ha 
 assign(resid  354 and name hn   )(resid  353 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 1057 1 
 assign(resid  354 and name hn   )(resid  353 and name hb   ) 0.0  0.0  4.2   !n 1.000000 1054 1 
 assign(resid  354 and name hn   )(resid  353 and name hn   ) 0.0  0.0  2.7   ! ! hnh 896 hn 
 assign(resid  354 and name ha   )(resid  355 and name ha   ) 0.0  0.0  5.5   ! 
 assign(resid  354 and name hn   )(resid  355 and name hn   ) 0.0  0.0  2.7   ! ! nnh 3322 hn 
 assign(resid  354 and name hn   )(resid  353 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 1056 1 
 assign(resid  355 and name hn   )(resid  354 and name hg2+ ) 0.0  0.0  5.0   !n 1.000000 590 1 
 assign(resid  355 and name hn   )(resid  354 and name ha   ) 3.2  0.0  5.0   ! ! hnh 2546 ha 
 assign(resid  355 and name hn   )(resid  354 and name hd1+ ) 0.0  0.0  6.3   !n 1.000000 1517 1 
 assign(resid  355 and name hn   )(resid  354 and name hb   ) 0.0  0.0  3.2   !n 1.000000 584 1 
 assign(resid  355 and name hn   )(resid  354 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 585 3 
 assign(resid  356 and name hn   )(resid  355 and name hb+  ) 0.0  0.0  5.0   !n 1.000000 928 1 
 assign(resid  356 and name hn   )(resid  355 and name hn   ) 0.0  0.0  2.7   ! ! hnh 571 hn 
 assign(resid  356 and name hn   )(resid  355 and name hd++ ) 0.0  0.0  7.0   !n 1.000000 930 2 
 assign(resid  356 and name hn   )(resid  355 and name hg   ) 0.0  0.0  5.5   !n 1.000000 932 2 
 assign(resid  356 and name hn   )(resid  355 and name ha   ) 0.0  0.0  5.5   !n 1.000000 926 2 
 assign(resid  356 and name hn   )(resid  357 and name hn   ) 0.0  0.0  2.7   ! ! hnh 651 hn 
 assign(resid  357 and name hn   )(resid  358 and name hn   ) 0.0  0.0  2.7   ! ! hnh 270 hn 
 assign(resid  357 and name hn   )(resid  356 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 1094 2 
 assign(resid  357 and name hn   )(resid  356 and name ha   ) 2.7  0.0  5.0   !n 1.000000 1088 1 
 assign(resid  358 and name hn   )(resid  357 and name ha   ) 0.0  0.0  5.5   !n 1.000000 1014 1 
 assign(resid  358 and name hn   )(resid  357 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 1019 1 
 assign(resid  358 and name hn   )(resid  357 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 992 1 
 assign(resid  358 and name hn   )(resid  359 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 1018 1 
 assign(resid  359 and name hn   )(resid  358 and name hn   ) 0.0  0.0  2.7   !n 1.000000 21 1 hnh 
 assign(resid  359 and name hn   )(resid  358 and name ha   ) 2.7  0.0  5.0   !n 1.000000 11 1 cnh 
 assign(resid  359 and name hn   )(resid  358 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 8 1 cnh 
 assign(resid  359 and name hn   )(resid  358 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 6 1 cnh 
 assign(resid  359 and name hn   )(resid  360 and name hn   ) 0.0  0.0  2.7   !n 1.000000 5 1 hnh 
 assign(resid  360 and name hn   )(resid  359 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 0 1 cnh 
 assign(resid  360 and name hn   )(resid  359 and name ha   ) 2.7  0.0  5.0   !n 1.000000 7 1 hnh 
 assign(resid  360 and name hn   )(resid  359 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 3 1 hnh 
 assign(resid  360 and name hn   )(resid  361 and name hn   ) 0.0  0.0  2.7   !n 1.000000 15 1 hnh 
 assign(resid  360 and name hn   )(resid  359 and name hb2  ) 0.0  0.0  3.2   !n 1.000000 14 1 hnh 
 assign(resid  360 and name hn   )(resid  361 and name hb+  ) 0.0  0.0  5.0   !n 1.000000 1411 1 
 assign(resid  361 and name hn   )(resid  360 and name ha   ) 2.7  0.0  5.0   !n 1.000000 3 1 hnh 
 assign(resid  361 and name hn   )(resid  360 and name hd1  ) 0.0  0.0  5.5   !n 1.000000 1 1 hnh 
 assign(resid  361 and name hn   )(resid  360 and name hb2  ) 0.0  0.0  4.2   !n 1.000000 12 1 hnh 
 assign(resid  361 and name hn   )(resid  362 and name hn   ) 2.7  0.0  5.0   !n 1.000000 2 1 hnh 
 assign(resid  361 and name hn   )(resid  360 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 6 1 hnh 
 assign(resid  362 and name hn   )(resid  361 and name hb+  ) 0.0  0.0  5.0   !n 1.000000 8 1 hnh 
 assign(resid  362 and name ha   )(resid  363 and name hb+  ) 0.0  0.0  5.0   ! 
 assign(resid  362 and name hn   )(resid  363 and name hn   ) 3.2  0.0  2.3   !n 1.000000 0 1 hnh 
 assign(resid  362 and name hn   )(resid  361 and name ha   ) 0.0  0.0  3.2   !n 1.000000 3 1 hnh 
 assign(resid  363 and name hn   )(resid  362 and name hb+  ) 0.0  0.0  5.0   !n 1.000000 4 1 cnh 
 assign(resid  363 and name hn   )(resid  364 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 499 1 
 assign(resid  363 and name hn   )(resid  362 and name ha   ) 0.0  0.0  2.7   !n 1.000000 2 1 cnh 
 assign(resid  363 and name hn   )(resid  364 and name hn   ) 3.2  0.0  5.0   !n 1.000000 1 1 hnh 
 assign(resid  364 and name hn   )(resid  363 and name hg+  ) 0.0  0.0  4.0   !n 1.000000 7 1 cnh 
 assign(resid  364 and name hn   )(resid  363 and name ha   ) 0.0  0.0  2.7   !n 1.000000 1 1 cnh 
 assign(resid  364 and name hn   )(resid  363 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 5 1 cnh 
 assign(resid  364 and name hn   )(resid  363 and name hd+  ) 0.0  0.0  5.0   !n 1.000000 2 1 cnh 
 assign(resid  364 and name hn   )(resid  365 and name hn   ) 3.2  0.0  5.0   !n 1.000000 9 1 hnh 
 assign(resid  365 and name hn   )(resid  364 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 4 1 cnh 
 assign(resid  365 and name hn   )(resid  364 and name ha   ) 0.0  0.0  2.7   !n 1.000000 1 1 cnh 
 assign(resid  365 and name hn   )(resid  364 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 7 1 cnh 
 assign(resid  365 and name hn   )(resid  366 and name hn   ) 2.7  0.0  5.0   !n 1.000000 9 1 hnh 
 assign(resid  366 and name hn   )(resid  365 and name hd2  ) 0.0  0.0  5.5   !n 1.000000 2 1 hnh 
 assign(resid  366 and name hn   )(resid  365 and name hb+  ) 0.0  0.0  5.0   !n 1.000000 3 1 cnh 
 assign(resid  366 and name hn   )(resid  365 and name hd1  ) 0.0  0.0  5.5   !n 1.000000 1 1 hnh 
 assign(resid  366 and name hn   )(resid  365 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 705 2 
 assign(resid  366 and name hn   )(resid  365 and name ha   ) 0.0  0.0  2.7   !n 1.000000 0 1 cnh 
 assign(resid  366 and name hn   )(resid  367 and name hn   ) 2.7  0.0  5.0   !n 1.000000 hand 1 nnh 
 assign(resid  367 and name hn   )(resid  368 and name hn   ) 0.0  0.0  2.7   !n 1.000000 10 1 hnh 
 assign(resid  367 and name hn   )(resid  368 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 557 1 
 assign(resid  367 and name hn   )(resid  366 and name ha   ) 0.0  0.0  2.7   !n 1.000000 2 1 cnh 
 assign(resid  368 and name hn   )(resid  367 and name hb   ) 0.0  0.0  3.2   !n 1.000000 10 1 cnh 
 assign(resid  368 and name ha   )(resid  367 and name hg++ ) 0.0  0.0  7.0   ! 
 assign(resid  368 and name hn   )(resid  369 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 879 1 
 assign(resid  368 and name hn   )(resid  369 and name hn   ) 0.0  0.0  2.7   !n 1.000000 5 1 hnh 
 assign(resid  368 and name hn   )(resid  367 and name ha   ) 2.7  0.0  5.0   !n 1.000000 1 1 cnh 
 assign(resid  369 and name hn   )(resid  368 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 8 1 cnh 
 assign(resid  369 and name hn   )(resid  368 and name ha   ) 2.7  0.0  5.0   !n 1.000000 3 1 cnh 
 assign(resid  369 and name hn   )(resid  370 and name hn   ) 0.0  0.0  2.7   !n 1.000000 2 1 hnh 
 assign(resid  369 and name hb2  )(resid  370 and name hd++ ) 0.0  0.0  4.7   ! 
 assign(resid  369 and name hn   )(resid  368 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 10 1 cnh 
 assign(resid  369 and name hb1  )(resid  370 and name hg   ) 0.0  0.0  4.2   ! 
 assign(resid  369 and name hb1  )(resid  370 and name hd++ ) 0.0  0.0  4.7   ! 
 assign(resid  369 and name hn   )(resid  370 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 1268 1 
 assign(resid  369 and name ha   )(resid  368 and name hb+  ) 0.0  0.0  5.0   ! 
 assign(resid  369 and name hb2  )(resid  370 and name hg   ) 0.0  0.0  4.2   ! 
 assign(resid  370 and name hn   )(resid  369 and name ha   ) 2.7  0.0  5.0   !n 1.000000 3 1 cnh 
 assign(resid  370 and name hn   )(resid  369 and name hb2  ) 0.0  0.0  3.2   !n 1.000000 8 1 hnh 
 assign(resid  370 and name hn   )(resid  369 and name hb1  ) 0.0  0.0  3.2   !n 1.000000 7 1 hnh 
 assign(resid  370 and name hn   )(resid  371 and name hn   ) 0.0  0.0  3.2   !n 1.000000 0 1 hnh 
 assign(resid  371 and name hn   )(resid  370 and name hb2  ) 0.0  0.0  4.2   !n 1.000000 7 1 hnh 
 assign(resid  371 and name hn   )(resid  370 and name hd1+ ) 0.0  0.0  6.3   !n 1.000000 3 1 cnh 
 assign(resid  371 and name hn   )(resid  370 and name hd2+ ) 0.0  0.0  6.3   !n 1.000000 4 1 cnh 
 assign(resid  371 and name hn   )(resid  370 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 8 1 hnh 
 assign(resid  371 and name hn   )(resid  372 and name hn   ) 0.0  0.0  4.0   !n 1.000000 0 1 hnh 
 assign(resid  371 and name hn   )(resid  370 and name ha   ) 2.7  0.0  5.0   !n 1.000000 6 1 hnh 
 assign(resid  372 and name hn   )(resid  371 and name hb+  ) 0.0  0.0  5.0   !n 1.000000 5 1 cnh 
 assign(resid  372 and name hn   )(resid  373 and name hn   ) 3.2  0.0  5.0   !n 1.000000 1 1 hnh 
 assign(resid  372 and name hn   )(resid  371 and name ha   ) 0.0  0.0  2.7   !n 1.000000 2 1 cnh 
 assign(resid  373 and name hn   )(resid  372 and name ha   ) 0.0  0.0  2.7   !n 1.000000 3 1 cnh 
 assign(resid  373 and name hn   )(resid  374 and name hn   ) 3.2  0.0  5.0   !n 1.000000 2 1 hnh 
 assign(resid  373 and name hn   )(resid  372 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 7 1 cnh 
 assign(resid  374 and name hn   )(resid  373 and name ha   ) 0.0  0.0  2.7   !n 1.000000 1 1 cnh 
 assign(resid  374 and name hn   )(resid  375 and name hn   ) 3.2  0.0  5.0   !n 1.000000 hand 1 hnh 
 assign(resid  374 and name hn   )(resid  373 and name hg2+ ) 0.0  0.0  4.0   !n 1.000000 7 1 hnh 
 assign(resid  374 and name hn   )(resid  373 and name hb   ) 0.0  0.0  4.2   !n 1.000000 0 1 cnh 
 assign(resid  375 and name hn   )(resid  374 and name hd1  ) 0.0  0.0  4.2   !n 1.000000 2 1 hnh 
 assign(resid  375 and name hn   )(resid  376 and name hd1  ) 0.0  0.0  5.5   !n 1.000000 6 1 hnh 
 assign(resid  375 and name hn   )(resid  374 and name hb2  ) 0.0  0.0  4.2   !n 1.000000 11 1 hnh 
 assign(resid  375 and name hn   )(resid  376 and name hd2  ) 0.0  0.0  5.5   !n 1.000000 17 1 hnh 
 assign(resid  375 and name hn   )(resid  374 and name hb1  ) 0.0  0.0  3.2   !n 1.000000 7 1 hnh 
 assign(resid  375 and name hn   )(resid  374 and name ha   ) 0.0  0.0  2.7   !n 1.000000 1 1 cnh 
 assign(resid  375 and name ha   )(resid  376 and name hg+  ) 0.0  0.0  5.0   ! 
 assign(resid  376 and name hd2  )(resid  375 and name ha   ) 0.0  0.0  2.7   !n 1.000000 hand 1 hch 
 assign(resid  376 and name hd1  )(resid  375 and name ha   ) 0.0  0.0  2.7   !n 1.000000 hand 1 hch 
 assign(resid  377 and name hn   )(resid  378 and name hn   ) 3.2  0.0  5.0   !n 1.000000 1 1 hnh 
 assign(resid  377 and name hn   )(resid  376 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 8 1 hnh 
 assign(resid  377 and name hn   )(resid  376 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 11 1 cnh 
 assign(resid  377 and name hn   )(resid  376 and name hb2  ) 0.0  0.0  3.2   !n 1.000000 7 1 hnh 
 assign(resid  377 and name hn   )(resid  376 and name ha   ) 0.0  0.0  2.7   !n 1.000000 3 1 cnh 
 assign(resid  377 and name hn   )(resid  376 and name hd+  ) 4.0  0.0  5.0   !n 1.000000 7 1 cnh 
 assign(resid  378 and name hn   )(resid  377 and name ha   ) 0.0  0.0  2.7   !n 1.000000 2 1 hnh 
 assign(resid  379 and name hn   )(resid  378 and name ha   ) 0.0  0.0  2.7   !n 1.000000 1 1 cnh 
 assign(resid  379 and name hn   )(resid  378 and name hg2+ ) 0.0  0.0  5.0   !n 1.000000 2 1 hnh 
 assign(resid  379 and name hn   )(resid  378 and name hb   ) 0.0  0.0  3.2   !n 1.000000 0 1 cnh 
 assign(resid  379 and name hn   )(resid  380 and name hn   ) 0.0  0.0  2.7   !n 1.000000 3 1 hnh 
 assign(resid  379 and name hn   )(resid  378 and name hn   ) 3.2  0.0  5.0   !n 1.000000 hand 1 hnh 
 assign(resid  380 and name hn   )(resid  381 and name hn   ) 0.0  0.0  2.7   !n 1.000000 2 1 hnh 
 assign(resid  380 and name hn   )(resid  379 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 8 1 hnh 
 assign(resid  380 and name ha   )(resid  379 and name hb+  ) 0.0  0.0  5.0   ! 
 assign(resid  380 and name hn   )(resid  379 and name ha   ) 2.7  0.0  5.0   !n 1.000000 2 1 cnh 
 assign(resid  381 and name hn   )(resid  380 and name ha   ) 3.2  0.0  5.0   !n 1.000000 9 1 cnh 
 assign(resid  381 and name hn   )(resid  380 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 5 1 cnh 
 assign(resid  381 and name hn   )(resid  382 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 6 1 cnh 
 assign(resid  381 and name hn   )(resid  380 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 4 1 cnh 
 assign(resid  381 and name hn   )(resid  382 and name hn   ) 0.0  0.0  2.7   !n 1.000000 hand 1 nnh 
 assign(resid  382 and name hn   )(resid  383 and name hn   ) 0.0  0.0  2.7   !n 1.000000 1 1 hnh 
 assign(resid  382 and name hn   )(resid  381 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 5 1 cnh 
 assign(resid  382 and name hn   )(resid  383 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 7 1 cnh 
 assign(resid  382 and name hn   )(resid  381 and name ha   ) 0.0  0.0  3.2   !n 1.000000 0 1 cnh 
 assign(resid  383 and name hn   )(resid  382 and name ha   ) 0.0  0.0  2.7   !n 1.000000 10 1 hnh 
 assign(resid  383 and name hn   )(resid  384 and name hn   ) 3.2  0.0  5.0   !n 1.000000 1 1 hnh 
 assign(resid  383 and name ha   )(resid  384 and name ha   ) 0.0  0.0  5.5   ! 
 assign(resid  384 and name hn   )(resid  383 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 5 1 cnh 
 assign(resid  384 and name hn   )(resid  383 and name ha   ) 0.0  0.0  2.7   !n 1.000000 2 1 cnh 
 assign(resid  384 and name hn   )(resid  383 and name he+  ) 0.0  0.0  6.3   !n 1.000000 11 1 cnh 
 assign(resid  384 and name hn   )(resid  383 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 10 1 cnh 
 assign(resid  384 and name hn   )(resid  385 and name hn   ) 3.2  0.0  5.0   !n 1.000000 1 1 hnh 
 assign(resid  385 and name hn   )(resid  384 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 4 1 hnh 
 assign(resid  385 and name hn   )(resid  384 and name hb2  ) 0.0  0.0  3.2   !n 1.000000 4 1 hnh 
 assign(resid  385 and name hn   )(resid  386 and name hn   ) 3.2  0.0  5.0   !n 1.000000 11 1 hnh 
 assign(resid  385 and name ha2  )(resid  384 and name ha   ) 0.0  0.0  5.5   ! 
 assign(resid  385 and name ha1  )(resid  384 and name ha   ) 0.0  0.0  5.5   ! 
 assign(resid  385 and name ha1  )(resid  386 and name hg2+ ) 0.0  0.0  5.0   ! 
 assign(resid  385 and name hn   )(resid  384 and name ha   ) 0.0  0.0  2.7   !n 1.000000 4 1 cnh 
 assign(resid  386 and name hn   )(resid  387 and name hn   ) 3.2  0.0  5.0   !n 1.000000 11 1 hnh 
 assign(resid  386 and name ha   )(resid  387 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 7 1 hch 
 assign(resid  386 and name hn   )(resid  385 and name ha1  ) 0.0  0.0  2.7   !n 1.000000 13 1 hnh 
 assign(resid  386 and name hn   )(resid  385 and name ha2  ) 0.0  0.0  2.7   !n 1.000000 11 1 hnh 
 assign(resid  387 and name hn   )(resid  386 and name hg2+ ) 0.0  0.0  5.0   !n 1.000000 12 1 cnh 
 assign(resid  387 and name ha   )(resid  388 and name hg2+ ) 0.0  0.0  5.0   ! 
 assign(resid  387 and name hn   )(resid  388 and name hn   ) 3.2  0.0  5.0   !n 1.000000 14 1 hnh 
 assign(resid  387 and name hn   )(resid  386 and name hb   ) 0.0  0.0  4.2   !n 1.000000 6 1 cnh 
 assign(resid  387 and name hb+  )(resid  388 and name ha   ) 0.0  0.0  6.3   !n 1.000000 54 1 hch 
 assign(resid  387 and name hn   )(resid  386 and name ha   ) 0.0  0.0  2.7   !n 1.000000 4 1 cnh 
 assign(resid  387 and name hn   )(resid  388 and name ha   ) 0.0  0.0  5.5   !n 1.000000 6 1 hnh 
 assign(resid  387 and name ha   )(resid  388 and name ha   ) 0.0  0.0  5.5   ! 
 assign(resid  387 and name ha   )(resid  386 and name hg11 ) 0.0  0.0  5.5   ! 
 assign(resid  387 and name hn   )(resid  386 and name hd1+ ) 0.0  0.0  5.0   !n 1.000000 1 1 cnh 
 assign(resid  387 and name hn   )(resid  388 and name hb   ) 0.0  0.0  5.5   !n 1.000000 2 1 cnh 
 assign(resid  387 and name hn   )(resid  386 and name hg1+ ) 0.0  0.0  4.0   !n 1.000000 8 1 cnh 
 assign(resid  388 and name hn   )(resid  387 and name ha   ) 0.0  0.0  2.7   !n 1.000000 2 1 hch 
 assign(resid  388 and name hn   )(resid  387 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 4 1 cnh 
 assign(resid  388 and name hg11 )(resid  389 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 22 1 hch 
 assign(resid  388 and name hg2+ )(resid  389 and name hb2  ) 0.0  0.0  5.0   !n 1.000000 110 1 hch 
 assign(resid  389 and name hb2  )(resid  388 and name hg11 ) 0.0  0.0  4.2   !n 1.000000 133 1 hch 
 assign(resid  389 and name hn   )(resid  388 and name hn   ) 3.2  0.0  5.0   !n 1.000000 hand 1 nnh 
 assign(resid  389 and name hb1  )(resid  388 and name hg12 ) 0.0  0.0  4.2   !n 1.000000 132 1 hch 
 assign(resid  389 and name hn   )(resid  390 and name hn   ) 0.0  0.0  3.2   !n 1.000000 hand 1 nnh 
 assign(resid  389 and name hn   )(resid  388 and name hb   ) 0.0  0.0  4.2   !n 1.000000 3 1 cnh 
 assign(resid  389 and name hb2  )(resid  388 and name hg12 ) 0.0  0.0  4.2   !n 1.000000 131 1 hch 
 assign(resid  389 and name hn   )(resid  388 and name ha   ) 0.0  0.0  2.7   !n 1.000000 1 1 cnh 
 assign(resid  389 and name hn   )(resid  388 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 0 1 cnh 
 assign(resid  390 and name hn   )(resid  389 and name hb1  ) 0.0  0.0  2.7   !n 1.000000 2 1 hnh 
 assign(resid  390 and name hn   )(resid  391 and name hn   ) 0.0  0.0  2.7   !n 1.000000 hand 1 nnh 
 assign(resid  390 and name hn   )(resid  389 and name ha   ) 2.7  0.0  5.0   !n 1.000000 0 1 cnh 
 assign(resid  390 and name hn   )(resid  389 and name hb2  ) 0.0  0.0  3.2   !n 1.000000 3 1 hnh 
 assign(resid  391 and name hn   )(resid  390 and name ha   ) 2.7  0.0  5.0   !n 1.000000 1 1 cnh 
 assign(resid  391 and name hn   )(resid  392 and name hn   ) 3.2  0.0  5.0   !n 1.000000 2 1 hnh 
 assign(resid  391 and name hn   )(resid  390 and name hb+  ) 0.0  0.0  5.0   !n 1.000000 8 1 cnh 
 assign(resid  392 and name hn   )(resid  391 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 7 1 cnh 
 assign(resid  392 and name hn   )(resid  393 and name hd1+ ) 0.0  0.0  6.3   !n 1.000000 10 1 cnh 
 assign(resid  392 and name hn   )(resid  393 and name hn   ) 3.2  0.0  5.0   !n 1.000000 0 1 hnh 
 assign(resid  392 and name hn   )(resid  393 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 6 1 cnh 
 assign(resid  392 and name hn   )(resid  391 and name hd+  ) 0.0  0.0  6.3   !n 1.000000 12 1 cnh 
 assign(resid  392 and name hn   )(resid  391 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 4 1 cnh 
 assign(resid  392 and name hn   )(resid  391 and name ha   ) 0.0  0.0  2.7   !n 1.000000 2 1 hnh 
 assign(resid  392 and name hn   )(resid  391 and name hb2  ) 0.0  0.0  4.2   !n 1.000000 7 1 hnh 
 assign(resid  393 and name hn   )(resid  394 and name hn   ) 3.2  0.0  5.0   !n 1.000000 0 1 hnh 
 assign(resid  393 and name hn   )(resid  392 and name ha   ) 0.0  0.0  2.7   !n 1.000000 2 1 cnh 
 assign(resid  393 and name ha   )(resid  394 and name ha   ) 0.0  0.0  5.5   ! 
 assign(resid  393 and name hn   )(resid  392 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 6 1 cnh 
 assign(resid  394 and name hn   )(resid  393 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 8 1 cnh 
 assign(resid  394 and name hn   )(resid  393 and name hb   ) 0.0  0.0  4.2   !n 1.000000 1 1 cnh 
 assign(resid  394 and name ha   )(resid  393 and name hb   ) 0.0  0.0  5.5   ! 
 assign(resid  394 and name hn   )(resid  395 and name hn   ) 3.2  0.0  5.0   !n 1.000000 hand nnh 
 assign(resid  394 and name hn   )(resid  393 and name hg2+ ) 0.0  0.0  3.5   !n 1.000000 8 1 hnh 
 assign(resid  394 and name hn   )(resid  393 and name ha   ) 0.0  0.0  2.7   !n 1.000000 2 1 cnh 
 assign(resid  394 and name hn   )(resid  393 and name hd1+ ) 0.0  0.0  6.3   !n 1.000000 15 1 cnh 
 assign(resid  395 and name hn   )(resid  394 and name ha   ) 0.0  0.0  2.7   !n 1.000000 2 1 hnh 
 assign(resid  395 and name hn   )(resid  394 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 6 1 cnh 
 assign(resid  395 and name hn   )(resid  394 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 7 1 cnh 
 assign(resid  395 and name ha   )(resid  396 and name ha+  ) 0.0  0.0  6.3   ! 
 assign(resid  395 and name hn   )(resid  396 and name ha+  ) 0.0  0.0  6.3   !n 1.000000 4 1 cnh 
 assign(resid  395 and name hn   )(resid  396 and name hn   ) 3.2  0.0  5.0   !n 1.000000 hand 1 nnh 
 assign(resid  395 and name ha   )(resid  394 and name ha   ) 0.0  0.0  5.5   ! 
 assign(resid  395 and name hn   )(resid  394 and name hd+  ) 0.0  0.0  5.0   !n 1.000000 0 1 cnh 
 assign(resid  396 and name ha1  )(resid  397 and name hn   ) 0.0  0.0  2.7   ! 
 assign(resid  396 and name hn   )(resid  395 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 5 1 cnh 
 assign(resid  396 and name ha2  )(resid  397 and name hn   ) 0.0  0.0  2.7   ! 
 assign(resid  396 and name hn   )(resid  395 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 1 1 cnh 
 assign(resid  396 and name ha+  )(resid  395 and name hd+  ) 0.0  0.0  5.8   ! 
 assign(resid  396 and name hn   )(resid  395 and name ha   ) 0.0  0.0  2.7   !n 1.000000 9 1 cnh 
 assign(resid  396 and name hn   )(resid  397 and name hn   ) 3.2  0.0  5.0   !n 1.000000 18 1 hnh 
 assign(resid  397 and name hn   )(resid  398 and name hn   ) 3.2  0.0  5.0   !n 1.000000 18 1 hnh 
 assign(resid  398 and name hg1+ )(resid  399 and name hb+  ) 0.0  0.0  5.8   ! 
 assign(resid  398 and name hn   )(resid  397 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 2 1 cnh 
 assign(resid  398 and name hn   )(resid  399 and name hn   ) 0.0  0.0  2.7   !n 1.000000 0 1 hnh 
 assign(resid  398 and name hn   )(resid  397 and name ha   ) 0.0  0.0  2.7   !n 1.000000 3 1 cnh 
 assign(resid  399 and name hn   )(resid  400 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 8 1 cnh 
 assign(resid  399 and name hn   )(resid  398 and name ha   ) 3.2  0.0  5.0   !n 1.000000 0 1 cnh 
 assign(resid  399 and name hn   )(resid  398 and name hg2+ ) 0.0  0.0  5.0   !n 1.000000 6 1 cnh 
 assign(resid  399 and name hn   )(resid  400 and name hn   ) 0.0  0.0  2.7   !n 1.000000 12 1 hnh 
 assign(resid  399 and name hn   )(resid  398 and name hg1+ ) 0.0  0.0  4.0   !n 1.000000 7 1 cnh 
 assign(resid  399 and name hn   )(resid  398 and name hb   ) 0.0  0.0  2.7   !n 1.000000 8 1 hnh 
 assign(resid  399 and name hn   )(resid  400 and name ha   ) 0.0  0.0  5.5   !n 1.000000 9 1 cnh 
 assign(resid  400 and name hn   )(resid  401 and name hn   ) 0.0  0.0  2.7   !n 1.000000 2 1 hnh 
 assign(resid  400 and name ha   )(resid  399 and name hb+  ) 0.0  0.0  5.0   ! 
 assign(resid  400 and name hb+  )(resid  401 and name hn   ) 0.0  0.0  3.5   ! 
 assign(resid  400 and name hn   )(resid  401 and name hb   ) 0.0  0.0  5.5   !n 1.000000 7 1 cnh 
 assign(resid  400 and name hn   )(resid  399 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 6 1 cnh 
 assign(resid  400 and name hb+  )(resid  401 and name hd1+ ) 0.0  0.0  4.8   ! 
 assign(resid  400 and name hn   )(resid  401 and name ha   ) 0.0  0.0  5.5   !n 1.000000 2 1 cnh 
 assign(resid  400 and name hn   )(resid  401 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 9 1 cnh 
 assign(resid  400 and name hn   )(resid  399 and name ha   ) 3.2  0.0  5.0   !n 1.000000 3 1 cnh 
 assign(resid  401 and name hn   )(resid  400 and name ha   ) 3.2  0.0  5.0   !n 1.000000 6 1 cnh 
 assign(resid  401 and name hn   )(resid  402 and name hn   ) 0.0  0.0  2.7   !n 1.000000 0 1 hnh 
 assign(resid  401 and name hn   )(resid  402 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 10 1 cnh 
 assign(resid  402 and name hn   )(resid  401 and name hg2+ ) 0.0  0.0  4.0   !n 1.000000 11 1 cnh 
 assign(resid  402 and name hn   )(resid  401 and name hd1+ ) 0.0  0.0  6.3   !n 1.000000 12 1 cnh 
 assign(resid  402 and name hn   )(resid  401 and name hb   ) 0.0  0.0  3.2   !n 1.000000 7 1 cnh 
 assign(resid  402 and name hn   )(resid  403 and name hn   ) 0.0  0.0  2.7   !n 1.000000 9 1 hnh 
 assign(resid  402 and name hn   )(resid  403 and name ha   ) 0.0  0.0  5.5   !n 1.000000 1 1 cnh 
 assign(resid  402 and name hn   )(resid  401 and name ha   ) 3.2  0.0  5.0   !n 1.000000 12 1 hnh 
 assign(resid  402 and name hn   )(resid  401 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 7 1 hnh 
 assign(resid  403 and name hn   )(resid  402 and name hb2  ) 0.0  0.0  4.2   !n 1.000000 9 1 hnh 
 assign(resid  403 and name hn   )(resid  402 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 10 1 cnh 
 assign(resid  403 and name hn   )(resid  402 and name hd+  ) 0.0  0.0  6.3   !n 1.000000 11 1 cnh 
 assign(resid  403 and name hn   )(resid  404 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 5 1 cnh 
 assign(resid  403 and name hn   )(resid  402 and name ha   ) 3.2  0.0  5.0   !n 1.000000 14 1 hnh 
 assign(resid  403 and name hn   )(resid  402 and name hb1  ) 0.0  0.0  3.2   !n 1.000000 8 1 hnh 
 assign(resid  403 and name ha   )(resid  402 and name hg1  ) 0.0  0.0  4.2   ! 
 assign(resid  403 and name ha   )(resid  402 and name hg2  ) 0.0  0.0  4.2   ! 
 assign(resid  403 and name hn   )(resid  404 and name hn   ) 0.0  0.0  2.7   !n 1.000000 18 1 hnh 
 assign(resid  404 and name hb1  )(resid  405 and name hg2+ ) 0.0  0.0  6.3   ! 
 assign(resid  404 and name ha   )(resid  403 and name hb+  ) 0.0  0.0  5.0   ! 
 assign(resid  404 and name hn   )(resid  403 and name hd+  ) 0.0  0.0  5.0   !n 1.000000 2 1 cnh 
 assign(resid  404 and name hn   )(resid  405 and name hn   ) 0.0  0.0  2.7   !n 1.000000 2 1 hnh 
 assign(resid  404 and name hn   )(resid  403 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 11 1 cnh 
 assign(resid  404 and name hn   )(resid  403 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 3 1 cnh 
 assign(resid  404 and name hn   )(resid  405 and name hg2+ ) 0.0  0.0  5.0   !n 1.000000 4 1 cnh 
 assign(resid  404 and name hn   )(resid  405 and name hb   ) 0.0  0.0  5.5   !n 1.000000 9 1 hnh 
 assign(resid  404 and name hb2  )(resid  405 and name hg2+ ) 0.0  0.0  6.3   ! 
 assign(resid  404 and name hn   )(resid  403 and name ha   ) 3.2  0.0  5.0   !n 1.000000 14 1 cnh 
 assign(resid  404 and name hn   )(resid  405 and name ha   ) 0.0  0.0  5.5   !n 1.000000 0 1 cnh 
 assign(resid  405 and name hn   )(resid  406 and name hn   ) 0.0  0.0  2.7   !n 1.000000 4 1 hnh 
 assign(resid  405 and name hn   )(resid  404 and name hb2  ) 0.0  0.0  4.2   !n 1.000000 2 1 hnh 
 assign(resid  405 and name hn   )(resid  406 and name ha   ) 0.0  0.0  5.5   !n 1.000000 21 1 hnh 
 assign(resid  405 and name hn   )(resid  406 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 4 1 cnh 
 assign(resid  405 and name hn   )(resid  404 and name ha   ) 3.2  0.0  5.0   !n 1.000000 6 1 cnh 
 assign(resid  405 and name hn   )(resid  404 and name hb1  ) 0.0  0.0  3.2   !n 1.000000 13 1 hnh 
 assign(resid  405 and name hn   )(resid  404 and name hd1  ) 0.0  0.0  4.2   !n 1.000000 7 1 hnh 
 assign(resid  405 and name hn   )(resid  406 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 3 1 cnh 
 assign(resid  406 and name hn   )(resid  405 and name hb   ) 0.0  0.0  3.2   !n 1.000000 5 1 cnh 
 assign(resid  406 and name hn   )(resid  407 and name ha   ) 0.0  0.0  5.5   !n 1.000000 3 1 cnh 
 assign(resid  406 and name hn   )(resid  407 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 8 1 cnh 
 assign(resid  406 and name hn   )(resid  405 and name hg2+ ) 0.0  0.0  5.0   !n 1.000000 10 1 cnh 
 assign(resid  406 and name hn   )(resid  405 and name hg1+ ) 0.0  0.0  4.0   !n 1.000000 7 1 cnh 
 assign(resid  406 and name hn   )(resid  405 and name ha   ) 3.2  0.0  5.0   !n 1.000000 0 1 cnh 
 assign(resid  406 and name hn   )(resid  407 and name hn   ) 0.0  0.0  2.7   !n 1.000000 19 1 hnh 
 assign(resid  406 and name ha   )(resid  405 and name hg1+ ) 0.0  0.0  4.0   ! 
 assign(resid  407 and name hn   )(resid  406 and name ha   ) 3.2  0.0  5.0   !n 1.000000 3 1 cnh 
 assign(resid  407 and name hn   )(resid  408 and name hn   ) 0.0  0.0  2.7   !n 1.000000 2 1 hnh 
 assign(resid  407 and name hn   )(resid  408 and name hd21 ) 0.0  0.0  5.5   ! 
 assign(resid  407 and name hn   )(resid  406 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 8 1 cnh 
 assign(resid  407 and name hn   )(resid  406 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 5 1 cnh 
 assign(resid  407 and name hn   )(resid  408 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 1 1 cnh 
 assign(resid  408 and name hb2  )(resid  407 and name hb+  ) 0.0  0.0  6.3   ! 
 assign(resid  408 and name hd21 )(resid  407 and name hb+  ) 0.0  0.0  5.0   !n 1.000000 1362 1 
 assign(resid  408 and name hb1  )(resid  407 and name hb+  ) 0.0  0.0  6.3   ! 
 assign(resid  408 and name hn   )(resid  407 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 10 1 cnh 
 assign(resid  408 and name hn   )(resid  409 and name hn   ) 0.0  0.0  2.7   !n 1.000000 4 1 hnh 
 assign(resid  408 and name hn   )(resid  409 and name ha+  ) 0.0  0.0  5.0   !n 1.000000 5 1 cnh 
 assign(resid  408 and name hn   )(resid  407 and name ha   ) 3.2  0.0  5.0   !n 1.000000 3 1 cnh 
 assign(resid  408 and name hd22 )(resid  407 and name hb+  ) 0.0  0.0  5.0   !n 1.000000 1358 1 
 assign(resid  409 and name hn   )(resid  410 and name ha+  ) 0.0  0.0  6.3   !n 1.000000 5 1 cnh 
 assign(resid  409 and name hn   )(resid  408 and name ha   ) 3.2  0.0  5.0   !n 1.000000 3 1 cnh 
 assign(resid  409 and name hn   )(resid  408 and name hb2  ) 0.0  0.0  4.2   !n 1.000000 1 1 hnh 
 assign(resid  409 and name hn   )(resid  410 and name hn   ) 0.0  0.0  2.7   !n 1.000000 12 1 hnh 
 assign(resid  409 and name hn   )(resid  408 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 2 1 hnh 
 assign(resid  410 and name ha+  )(resid  409 and name ha+  ) 0.0  0.0  7.1   ! 
 assign(resid  410 and name ha+  )(resid  411 and name hb+  ) 0.0  0.0  7.1   ! 
 assign(resid  410 and name hn   )(resid  409 and name ha2  ) 2.7  0.0  5.0   !n 1.000000 2 1 hnh 
 assign(resid  410 and name hn   )(resid  411 and name hn   ) 2.7  0.0  5.0   !n 1.000000 17 1 hnh 
 assign(resid  410 and name hn   )(resid  409 and name ha1  ) 2.7  0.0  5.0   !n 1.000000 6 1 hnh 
 assign(resid  411 and name hn   )(resid  410 and name ha2  ) 0.0  0.0  2.7   !n 1.000000 11 1 hnh 
 assign(resid  411 and name hn   )(resid  412 and name hn   ) 3.2  0.0  5.0   !n 1.000000 1 1 hnh 
 assign(resid  411 and name hn   )(resid  410 and name ha1  ) 0.0  0.0  2.7   !n 1.000000 4 1 hnh 
 assign(resid  412 and name hn   )(resid  413 and name hd1  ) 3.2  0.0  5.0   !n 1.000000 8 1 hnh 
 assign(resid  412 and name hn   )(resid  411 and name ha   ) 0.0  0.0  2.7   !n 1.000000 0 1 cnh 
 assign(resid  412 and name hn   )(resid  411 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 4 1 cnh 
 assign(resid  412 and name hn   )(resid  413 and name hd2  ) 3.2  0.0  5.0   !n 1.000000 9 1 hnh 
 assign(resid  413 and name hd2  )(resid  412 and name ha   ) 0.0  0.0  2.7   ! 
 assign(resid  413 and name hd2  )(resid  412 and name hb1  ) 0.0  0.0  4.2   ! 
 assign(resid  413 and name hd1  )(resid  412 and name ha   ) 0.0  0.0  2.7   ! 
 assign(resid  413 and name hd2  )(resid  412 and name hb2  ) 0.0  0.0  4.2   ! 
 assign(resid  413 and name hd1  )(resid  412 and name hb2  ) 0.0  0.0  4.2   ! 
 assign(resid  413 and name hd1  )(resid  412 and name hb1  ) 0.0  0.0  4.2   ! 
 assign(resid  414 and name hn   )(resid  413 and name hb2  ) 0.0  0.0  4.2   !n 1.000000 6 1 hnh 
 assign(resid  414 and name hn   )(resid  413 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 5 1 hnh 
 assign(resid  414 and name hn   )(resid  413 and name hd1  ) 3.2  0.0  5.0   !n 1.000000 1 1 hnh 
 assign(resid  414 and name hn   )(resid  415 and name hn   ) 0.0  0.0  2.7   !n 1.000000 11 1 hnh 
 assign(resid  414 and name hn   )(resid  413 and name hd2  ) 3.2  0.0  5.0   !n 1.000000 8 1 hnh 
 assign(resid  414 and name ha   )(resid  413 and name hb2  ) 0.0  0.0  5.5   ! 
 assign(resid  414 and name hn   )(resid  413 and name ha   ) 0.0  0.0  2.7   !n 1.000000 3 1 cnh 
 assign(resid  415 and name hn   )(resid  416 and name hn   ) 0.0  0.0  2.7   !n 1.000000 5 1 hnh 
 assign(resid  415 and name hn   )(resid  414 and name ha   ) 2.7  0.0  5.0   !n 1.000000 1 1 cnh 
 assign(resid  415 and name hn   )(resid  414 and name hg2+ ) 0.0  0.0  4.0   !n 1.000000 7 1 cnh 
 assign(resid  415 and name hn   )(resid  416 and name hg2+ ) 0.0  0.0  5.0   !n 1.000000 6 1 cnh 
 assign(resid  415 and name ha   )(resid  414 and name hg2+ ) 0.0  0.0  5.0   ! 
 assign(resid  415 and name hn   )(resid  414 and name hb   ) 0.0  0.0  4.2   !n 1.000000 0 1 cnh 
 assign(resid  416 and name hn   )(resid  417 and name hn   ) 0.0  0.0  2.7   !n 1.000000 19 1 hnh 
 assign(resid  416 and name hn   )(resid  417 and name ha   ) 0.0  0.0  5.5   !n 1.000000 2 1 cnh 
 assign(resid  416 and name hn   )(resid  415 and name ha   ) 2.7  0.0  5.0   !n 1.000000 3 1 cnh 
 assign(resid  416 and name hn   )(resid  415 and name hb+  ) 0.0  0.0  5.0   !n 1.000000 16 1 cnh 
 assign(resid  416 and name hn   )(resid  417 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 4 1 cnh 
 assign(resid  417 and name ha   )(resid  416 and name hg1+ ) 0.0  0.0  4.0   ! 
 assign(resid  417 and name hn   )(resid  416 and name hg2+ ) 0.0  0.0  5.0   !n 1.000000 10 1 cnh 
 assign(resid  417 and name hn   )(resid  416 and name ha   ) 2.7  0.0  5.0   !n 1.000000 13 1 cnh 
 assign(resid  417 and name hn   )(resid  418 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 6 1 cnh 
 assign(resid  417 and name hn   )(resid  418 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 9 1 hnh 
 assign(resid  417 and name hn   )(resid  418 and name hn   ) 0.0  0.0  2.7   !n 1.000000 18 1 hnh 
 assign(resid  417 and name hn   )(resid  416 and name hg1+ ) 0.0  0.0  4.0   !n 1.000000 14 1 hnh 
 assign(resid  417 and name hn   )(resid  416 and name hb   ) 0.0  0.0  3.2   !n 1.000000 8 1 cnh 
 assign(resid  418 and name hn   )(resid  417 and name ha   ) 2.7  0.0  5.0   !n 1.000000 3 1 hnh 
 assign(resid  418 and name hn   )(resid  419 and name hn   ) 0.0  0.0  2.7   !n 1.000000 24 1 hnh 
 assign(resid  418 and name hn   )(resid  417 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 2 1 cnh 
 assign(resid  418 and name hn   )(resid  419 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 14 1 hnh 
 assign(resid  419 and name hn   )(resid  420 and name hb   ) 0.0  0.0  5.5   !n 1.000000 8 1 cnh 
 assign(resid  419 and name hn   )(resid  418 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 6 1 cnh 
 assign(resid  419 and name hn   )(resid  418 and name ha   ) 2.7  0.0  5.0   !n 1.000000 16 1 cnh 
 assign(resid  419 and name hn   )(resid  420 and name hn   ) 0.0  0.0  2.7   !n 1.000000 0 1 hnh 
 assign(resid  419 and name hn   )(resid  418 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 10 1 cnh 
 assign(resid  419 and name hn   )(resid  420 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 16 1 hnh 
 assign(resid  419 and name hn   )(resid  420 and name ha   ) 0.0  0.0  5.5   !n 1.000000 15 1 cnh 
 assign(resid  420 and name hn   )(resid  421 and name ha   ) 0.0  0.0  5.5   !n 1.000000 13 1 cnh 
 assign(resid  420 and name hn   )(resid  419 and name ha   ) 2.7  0.0  5.0   !n 1.000000 7 1 hnh 
 assign(resid  420 and name hn   )(resid  419 and name hd+  ) 0.0  0.0  6.3   !n 1.000000 6 1 cnh 
 assign(resid  420 and name hn   )(resid  421 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 3 1 cnh 
 assign(resid  420 and name hn   )(resid  419 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 14 1 cnh 
 assign(resid  420 and name hn   )(resid  421 and name hn   ) 0.0  0.0  2.7   !n 1.000000 5 1 hnh 
 assign(resid  420 and name hn   )(resid  419 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 10 1 cnh 
 assign(resid  421 and name hn   )(resid  420 and name hg2+ ) 0.0  0.0  5.0   !n 1.000000 8 1 cnh 
 assign(resid  421 and name ha   )(resid  420 and name hg1+ ) 0.0  0.0  3.5   ! 
 assign(resid  421 and name hn   )(resid  422 and name hg+  ) 0.0  0.0  4.0   !n 1.000000 9 1 hnh 
 assign(resid  421 and name hn   )(resid  420 and name hb   ) 0.0  0.0  3.2   !n 1.000000 6 1 cnh 
 assign(resid  421 and name hn   )(resid  422 and name hn   ) 0.0  0.0  2.7   !n 1.000000 1 1 hnh 
 assign(resid  421 and name hn   )(resid  422 and name ha   ) 0.0  0.0  5.5   !n 1.000000 0 1 hnh 
 assign(resid  421 and name hn   )(resid  420 and name ha   ) 2.7  0.0  5.0   !n 1.000000 1 1 cnh 
 assign(resid  421 and name hn   )(resid  422 and name hb+  ) 0.0  0.0  5.0   !n 1.000000 7 1 cnh 
 assign(resid  422 and name hn   )(resid  421 and name ha   ) 2.7  0.0  5.0   !n 1.000000 1 1 cnh 
 assign(resid  422 and name hn   )(resid  421 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 2 1 cnh 
 assign(resid  422 and name hn   )(resid  423 and name hn   ) 0.0  0.0  2.7   !n 1.000000 hand 1 nnh 
 assign(resid  422 and name ha   )(resid  421 and name hb+  ) 0.0  0.0  5.0   ! 
 assign(resid  422 and name hn   )(resid  423 and name hb   ) 0.0  0.0  5.5   !n 1.000000 5 1 cnh 
 assign(resid  422 and name hn   )(resid  423 and name hg++ ) 0.0  0.0  7.0   !n 1.000000 14 1 hnh 
 assign(resid  422 and name hn   )(resid  423 and name ha   ) 0.0  0.0  5.5   !n 1.000000 11 1 cnh 
 assign(resid  423 and name hn   )(resid  422 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 7 1 cnh 
 assign(resid  423 and name hn   )(resid  424 and name hb+  ) 0.0  0.0  5.0   !n 1.000000 13 1 cnh 
 assign(resid  423 and name hn   )(resid  424 and name ha   ) 0.0  0.0  5.5   !n 1.000000 5 1 cnh 
 assign(resid  423 and name hn   )(resid  424 and name hn   ) 0.0  0.0  2.7   !n 1.000000 20 1 hnh 
 assign(resid  423 and name hn   )(resid  422 and name ha   ) 2.7  0.0  5.0   !n 1.000000 4 1 hnh 
 assign(resid  423 and name hn   )(resid  422 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 9 1 cnh 
 assign(resid  424 and name hn   )(resid  423 and name hb   ) 0.0  0.0  3.2   !n 1.000000 12 1 hnh 
 assign(resid  424 and name hn   )(resid  423 and name hg1+ ) 0.0  0.0  4.0   !n 1.000000 7 1 cnh 
 assign(resid  424 and name hn   )(resid  423 and name ha   ) 2.7  0.0  3.2   !n 1.000000 0 1 cnh 
 assign(resid  424 and name hn   )(resid  423 and name hg2+ ) 0.0  0.0  5.0   !n 1.000000 14 1 cnh 
 assign(resid  424 and name hn   )(resid  425 and name hn   ) 0.0  0.0  2.7   !n 1.000000 19 1 hnh 
 assign(resid  425 and name hn   )(resid  426 and name hn   ) 0.0  0.0  2.7   !n 1.000000 0 1 hnh 
 assign(resid  425 and name hn   )(resid  424 and name ha   ) 2.7  0.0  5.0   !n 1.000000 5 1 cnh 
 assign(resid  425 and name hn   )(resid  424 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 10 1 cnh 
 assign(resid  426 and name hn   )(resid  427 and name hn   ) 0.0  0.0  2.7   !n 1.000000 0 1 hnh 
 assign(resid  426 and name hn   )(resid  425 and name ha   ) 2.7  0.0  5.0   !n 1.000000 3 1 hnh 
 assign(resid  426 and name hn   )(resid  425 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 10 1 cnh 
 assign(resid  426 and name hn   )(resid  425 and name hg1  ) 0.0  0.0  4.2   !n 1.000000 15 1 hnh 
 assign(resid  426 and name hn   )(resid  425 and name hg2  ) 0.0  0.0  4.2   !n 1.000000 16 1 hnh 
 assign(resid  427 and name hn   )(resid  428 and name ha   ) 0.0  0.0  5.5   !n 1.000000 0 1 cnh 
 assign(resid  427 and name hn   )(resid  426 and name hg1  ) 0.0  0.0  4.2   !n 1.000000 9 1 hnh 
 assign(resid  427 and name ha+  )(resid  426 and name hb+  ) 0.0  0.0  7.1   ! 
 assign(resid  427 and name hn   )(resid  428 and name hn   ) 0.0  0.0  2.7   !n 1.000000 3 1 hnh 
 assign(resid  427 and name hn   )(resid  426 and name ha   ) 2.7  0.0  5.0   !n 1.000000 2 1 cnh 
 assign(resid  427 and name ha+  )(resid  428 and name ha   ) 0.0  0.0  5.0   ! 
 assign(resid  427 and name ha+  )(resid  428 and name hb+  ) 0.0  0.0  5.8   ! 
 assign(resid  427 and name hn   )(resid  426 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 7 1 cnh 
 assign(resid  427 and name hn   )(resid  426 and name hg2  ) 0.0  0.0  4.2   !n 1.000000 10 1 hnh 
 assign(resid  428 and name hn   )(resid  427 and name ha2  ) 2.7  0.0  5.0   !n 1.000000 9 1 hnh 
 assign(resid  428 and name hn   )(resid  429 and name hn   ) 3.2  0.0  5.0   !n 1.000000 3 1 hnh 
 assign(resid  428 and name hn   )(resid  427 and name ha1  ) 2.7  0.0  5.0   !n 1.000000 8 1 hnh 
 assign(resid  429 and name hn   )(resid  428 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 10 1 cnh 
 assign(resid  429 and name hn   )(resid  428 and name ha   ) 0.0  0.0  2.7   !n 1.000000 8 1 cnh 
 assign(resid  430 and name ha   )(resid  431 and name hg   ) 0.0  0.0  4.2   ! 
 assign(resid  430 and name ha   )(resid  429 and name hb   ) 0.0  0.0  5.5   ! 
 assign(resid  431 and name hn   )(resid  432 and name hn   ) 3.2  0.0  5.0   !n 1.000000 hand 1 nnh 
 assign(resid  431 and name hn   )(resid  430 and name ha   ) 0.0  0.0  2.7   !n 1.000000 1 1 cnh 
 assign(resid  431 and name hn   )(resid  430 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 7 1 cnh 
 assign(resid  432 and name hn   )(resid  431 and name ha   ) 0.0  0.0  2.7   !n 1.000000 2 1 cnh 
 assign(resid  432 and name hn   )(resid  431 and name hd++ ) 0.0  0.0  5.7   !n 1.000000 0 1 cnh 
 assign(resid  432 and name hn   )(resid  433 and name hn   ) 3.2  0.0  5.0   !n 1.000000 2 1 hnh 
 assign(resid  432 and name ha   )(resid  433 and name ha   ) 0.0  0.0  5.5   ! 
 assign(resid  433 and name hn   )(resid  432 and name hb   ) 0.0  0.0  4.2   !n 1.000000 2 1 hnh 
 assign(resid  433 and name ha   )(resid  432 and name hg1+ ) 0.0  0.0  5.0   ! 
 assign(resid  433 and name hn   )(resid  434 and name hn   ) 3.2  0.0  5.0   !n 1.000000 0 1 hnh 
 assign(resid  433 and name hn   )(resid  432 and name hg1+ ) 0.0  0.0  3.5   !n 1.000000 7 1 cnh 
 assign(resid  433 and name hn   )(resid  432 and name ha   ) 0.0  0.0  2.7   !n 1.000000 3 1 cnh 
 assign(resid  434 and name ha   )(resid  435 and name hb+  ) 0.0  0.0  5.0   ! 
 assign(resid  434 and name hn   )(resid  433 and name ha   ) 0.0  0.0  2.7   !n 1.000000 2 1 cnh 
 assign(resid  434 and name hn   )(resid  433 and name hb   ) 0.0  0.0  5.5   !n 1.000000 6 1 cnh 
 assign(resid  434 and name hn   )(resid  435 and name hn   ) 3.2  0.0  5.0   !n 1.000000 16 1 hnh 
 assign(resid  435 and name hn   )(resid  436 and name hn   ) 3.2  0.0  5.0   !n 1.000000 0 1 hnh 
 assign(resid  435 and name ha   )(resid  436 and name ha+  ) 0.0  0.0  5.0   ! 
 assign(resid  435 and name hn   )(resid  434 and name hb   ) 0.0  0.0  2.7   !n 1.000000 5 1 hnh 
 assign(resid  435 and name hn   )(resid  434 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 8 1 cnh 
 assign(resid  435 and name hn   )(resid  434 and name ha   ) 0.0  0.0  2.7   !n 1.000000 3 1 cnh 
 assign(resid  435 and name hn   )(resid  434 and name hg2+ ) 0.0  0.0  5.0   !n 1.000000 7 1 cnh 
 assign(resid  436 and name hn   )(resid  437 and name hn   ) 3.2  0.0  5.0   !n 1.000000 hand 1 nnh 
 assign(resid  436 and name hn   )(resid  435 and name ha   ) 0.0  0.0  2.7   !n 1.000000 1 1 cnh 
 assign(resid  436 and name hn   )(resid  435 and name hg+  ) 0.0  0.0  4.0   !n 1.000000 3 1 cnh 
 assign(resid  436 and name hn   )(resid  435 and name hb+  ) 0.0  0.0  5.0   !n 1.000000 5 1 cnh 
 assign(resid  437 and name hn   )(resid  438 and name hn   ) 0.0  0.0  2.7   !n 1.000000 0 1 hnh 
 assign(resid  437 and name hn   )(resid  438 and name hb1  ) 0.0  0.0  5.5   !n 1.000000 7 1 hnh 
 assign(resid  437 and name hn   )(resid  436 and name ha+  ) 0.0  0.0  3.5   !n 1.000000 3 1 cnh 
 assign(resid  438 and name hn   )(resid  437 and name hb2  ) 0.0  0.0  5.5   !n 1.000000 4 1 hnh 
 assign(resid  438 and name hn   )(resid  439 and name hn   ) 3.2  0.0  5.0   !n 1.000000 hand 1 nnh 
 assign(resid  438 and name hn   )(resid  437 and name ha   ) 2.7  0.0  5.0   !n 1.000000 4 1 cnh 
 assign(resid  438 and name hn   )(resid  437 and name hb1  ) 0.0  0.0  5.5   !n 1.000000 14 1 hnh 
 assign(resid  439 and name hn   )(resid  438 and name hg2  ) 0.0  0.0  4.2   !n 1.000000 11 1 hnh 
 assign(resid  439 and name hn   )(resid  438 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 4 1 cnh 
 assign(resid  439 and name ha   )(resid  440 and name hg   ) 0.0  0.0  4.2   ! 
 assign(resid  439 and name hn   )(resid  438 and name ha   ) 0.0  0.0  2.7   !n 1.000000 2 1 hnh 
 assign(resid  439 and name hn   )(resid  438 and name hg1  ) 0.0  0.0  4.2   !n 1.000000 10 1 hnh 
 assign(resid  439 and name hn   )(resid  438 and name hd+  ) 0.0  0.0  5.0   !n 1.000000 3 1 cnh 
 assign(resid  440 and name hn   )(resid  439 and name hb   ) 0.0  0.0  5.5   !n 1.000000 6 1 cnh 
 assign(resid  440 and name hn   )(resid  441 and name hn   ) 0.0  0.0  2.7   !n 1.000000 12 1 hnh 
 assign(resid  440 and name hn   )(resid  441 and name ha+  ) 0.0  0.0  6.3   !n 1.000000 3 1 cnh 
 assign(resid  440 and name hn   )(resid  439 and name hn   ) 3.2  0.0  5.0   !n 1.000000 hand 1 nnh 
 assign(resid  440 and name hn   )(resid  439 and name ha   ) 0.0  0.0  2.7   !n 1.000000 0 1 cnh 
 assign(resid  441 and name hn   )(resid  440 and name ha   ) 2.7  0.0  5.0   !n 1.000000 5 1 cnh 
 assign(resid  441 and name hn   )(resid  442 and name ha   ) 0.0  0.0  5.5   !n 1.000000 15 1 cnh 
 assign(resid  441 and name ha2  )(resid  442 and name hn   ) 0.0  0.0  2.7   ! 
 assign(resid  441 and name ha1  )(resid  442 and name hb   ) 0.0  0.0  5.5   ! 
 assign(resid  441 and name hn   )(resid  440 and name hg   ) 0.0  0.0  5.5   !n 1.000000 10 1 cnh 
 assign(resid  441 and name ha2  )(resid  442 and name hb   ) 0.0  0.0  5.5   ! 
 assign(resid  441 and name hn   )(resid  440 and name hb2  ) 0.0  0.0  4.2   !n 1.000000 14 1 hnh 
 assign(resid  441 and name hn   )(resid  440 and name hd1+ ) 0.0  0.0  5.0   ! 
 assign(resid  441 and name hn   )(resid  440 and name hd2+ ) 0.0  0.0  5.0   ! 
 assign(resid  441 and name ha1  )(resid  442 and name hn   ) 0.0  0.0  2.7   ! 
 assign(resid  441 and name hn   )(resid  440 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 13 1 hnh 
 assign(resid  442 and name hn   )(resid  443 and name hn   ) 3.2  0.0  5.0   !n 1.000000 0 1 hnh 
 assign(resid  442 and name hn   )(resid  441 and name hn   ) 3.2  0.0  5.0   !n 1.000000 3 1 hnh 
 assign(resid  443 and name hn   )(resid  442 and name hb   ) 0.0  0.0  5.5   !n 1.000000 4 1 cnh 
 assign(resid  443 and name hn   )(resid  442 and name hg1+ ) 0.0  0.0  3.5   !n 1.000000 7 1 cnh 
 assign(resid  443 and name hn   )(resid  444 and name hn   ) 3.2  0.0  5.0   !n 1.000000 13 1 hnh 
 assign(resid  443 and name hn   )(resid  442 and name hg2+ ) 0.0  0.0  5.0   !n 1.000000 6 1 cnh 
 assign(resid  443 and name hn   )(resid  442 and name ha   ) 0.0  0.0  2.7   !n 1.000000 1 1 cnh 
 assign(resid  444 and name ha   )(resid  445 and name hg   ) 0.0  0.0  4.2   ! 
 assign(resid  444 and name hn   )(resid  443 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 5 1 cnh 
 assign(resid  444 and name ha   )(resid  445 and name hd1+ ) 0.0  0.0  5.0   !n 1.000000 8 1 cnh 
 assign(resid  444 and name hn   )(resid  443 and name hg2+ ) 0.0  0.0  4.0   !n 1.000000 6 1 cnh 
 assign(resid  444 and name hn   )(resid  443 and name hb   ) 0.0  0.0  5.5   !n 1.000000 0 1 cnh 
 assign(resid  444 and name hn   )(resid  443 and name ha   ) 0.0  0.0  2.7   !n 1.000000 1 1 cnh 
 assign(resid  444 and name hn   )(resid  445 and name hn   ) 3.2  0.0  5.0   !n 1.000000 12 1 hnh 
 assign(resid  445 and name hn   )(resid  444 and name ha   ) 0.0  0.0  2.7   !n 1.000000 2 1 cnh 
 assign(resid  445 and name hn   )(resid  444 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 7 1 cnh 
 assign(resid  446 and name hn   )(resid  445 and name ha   ) 0.0  0.0  2.7   !n 1.000000 4 1 cnh 
 assign(resid  446 and name hn   )(resid  445 and name hd++ ) 0.0  0.0  5.7   !n 1.000000 7 1 hnh 
 assign(resid  446 and name hn   )(resid  445 and name hb1  ) 0.0  0.0  3.2   !n 1.000000 6 1 hnh 
 assign(resid  447 and name hn   )(resid  448 and name hn   ) 3.2  0.0  5.0   !n 1.000000 0 1 cnh 
 assign(resid  447 and name hn   )(resid  446 and name ha   ) 0.0  0.0  2.7   ! 
 assign(resid  447 and name hn   )(resid  446 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 3 1 cnh 
 assign(resid  447 and name hn   )(resid  446 and name hd+  ) 0.0  0.0  5.0   !n 1.000000 4 1 cnh 
 assign(resid  447 and name hn   )(resid  446 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 5 1 cnh 
 assign(resid  447 and name hn   )(resid  446 and name he+  ) 0.0  0.0  6.3   !n 1.000000 9 1 cnh 
 assign(resid  448 and name hn   )(resid  447 and name ha   ) 0.0  0.0  2.7   !n 1.000000 11 1 cnh 
 assign(resid  448 and name hn   )(resid  447 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 4 1 cnh 
 assign(resid  449 and name hn   )(resid  448 and name ha   ) 0.0  0.0  2.7   ! 
 assign(resid  449 and name hn   )(resid  448 and name hb   ) 0.0  0.0  4.2   ! 
 assign(resid  449 and name hn   )(resid  448 and name hg1+ ) 0.0  0.0  5.0   ! 
 assign(resid  449 and name hn   )(resid  448 and name hg2+ ) 0.0  0.0  4.0   ! 
 assign(resid  449 and name hn   )(resid  448 and name hd1+ ) 0.0  0.0  5.0   ! 
 assign(resid  450 and name hn   )(resid  449 and name ha   ) 0.0  0.0  2.7   ! 
 assign(resid  450 and name hn   )(resid  449 and name hg++ ) 0.0  0.0  5.7   ! 
 assign(resid  450 and name hn   )(resid  449 and name hb   ) 0.0  0.0  4.2   ! 
 assign(resid  451 and name hn   )(resid  450 and name ha   ) 0.0  0.0  2.7   ! 
 assign(resid  451 and name hn   )(resid  450 and name hb+  ) 0.0  0.0  4.0   ! 

! medium-range

 assign(resid  320 and name hn   )(resid  322 and name hn   ) 3.2  0.0  5.0   !n 1.000000 hand 1 nnh 
 assign(resid  321 and name hn   )(resid  319 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 11 1 cnh 
 assign(resid  321 and name hn   )(resid  319 and name ha   ) 0.0  0.0  4.2   !n 1.000000 4 1 cnh adjusted from 3.2 
 assign(resid  325 and name hn   )(resid  328 and name hb   ) 0.0  0.0  3.2   !n 1.000000 8 1 cnh 
 assign(resid  325 and name hn   )(resid  328 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 12 1 cnh 
 assign(resid  326 and name he2+ )(resid  323 and name hg2+ ) 0.0  0.0  7.1   !n 1.000000 1399 1 
 assign(resid  326 and name hn   )(resid  328 and name hn   ) 0.0  0.0  5.5   !n 1.000000 13 1 hnh 
 assign(resid  327 and name hn   )(resid  325 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 5 1 cnh 
 assign(resid  328 and name hn   )(resid  326 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 0 1 hnh 
 assign(resid  328 and name hn   )(resid  324 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 6 1 hnh 
 assign(resid  328 and name hn   )(resid  324 and name hb2  ) 0.0  0.0  5.5   !n 1.000000 8 1 hnh 
 assign(resid  328 and name hg1+ )(resid  332 and name hb   ) 0.0  0.0  3.5   ! cch 
 assign(resid  328 and name hn   )(resid  324 and name ha   ) 0.0  0.0  5.5   !n 1.000000 10 1 cnh 
 assign(resid  328 and name hn   )(resid  324 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 13 1 hnh 
 assign(resid  328 and name hg1+ )(resid  332 and name ha   ) 0.0  0.0  5.0   ! cch 
 assign(resid  328 and name hn   )(resid  326 and name ha   ) 0.0  0.0  4.2   !n 1.000000 1 1 cnh adjusted from 3.2 
 assign(resid  328 and name hn   )(resid  325 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 7 1 cnh 
 assign(resid  329 and name hn   )(resid  332 and name hn   ) 0.0  0.0  4.2   !n 1.000000 1 1 hnh 
 assign(resid  329 and name hn   )(resid  333 and name hn   ) 0.0  0.0  5.5   !n 1.000000 12 1 hnh 
 assign(resid  329 and name hn   )(resid  332 and name hb   ) 0.0  0.0  4.2   !n 1.000000 1 1 cnh 
 assign(resid  329 and name hb1  )(resid  332 and name hb   ) 0.0  0.0  4.2   ! 
 assign(resid  329 and name hb2  )(resid  332 and name hb   ) 0.0  0.0  4.2   ! 
 assign(resid  330 and name ha   )(resid  333 and name hb1  ) 0.0  0.0  4.2   ! 
 assign(resid  330 and name hn   )(resid  332 and name hn   ) 3.2  0.0  2.3   !n 1.000000 2 1 hnh 
 assign(resid  330 and name ha   )(resid  333 and name hb2  ) 0.0  0.0  4.2   ! 
 assign(resid  331 and name ha   )(resid  334 and name hb+  ) 0.0  0.0  4.0   ! 
 assign(resid  331 and name hn   )(resid  329 and name ha   ) 0.0  0.0  5.5   !n 1.000000 1039 1 
 assign(resid  331 and name hn   )(resid  329 and name hb+  ) 0.0  0.0  4.0   ! 
 assign(resid  332 and name hn   )(resid  334 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 1224 1 
 assign(resid  332 and name hn   )(resid  329 and name hb1  ) 0.0  0.0  4.2   ! 
 assign(resid  332 and name ha   )(resid  335 and name hb+  ) 0.0  0.0  4.0   ! 
 assign(resid  332 and name hn   )(resid  329 and name hb2  ) 0.0  0.0  4.2   ! 
 assign(resid  332 and name hn   )(resid  330 and name ha   ) 0.0  0.0  5.5   !n 1.000000 1205 1 
 assign(resid  333 and name hg   )(resid  330 and name ha   ) 0.0  0.0  4.2   ! 
 assign(resid  333 and name hn   )(resid  330 and name ha   ) 0.0  0.0  4.2   !n 1.000000 635 1 
 assign(resid  333 and name ha   )(resid  336 and name hb+  ) 0.0  0.0  4.0   ! 
 assign(resid  333 and name hn   )(resid  331 and name ha   ) 0.0  0.0  5.5   !n 1.000000 636 1 
 assign(resid  334 and name hn   )(resid  330 and name ha   ) 0.0  0.0  5.5   !n 1.000000 672 1 
 assign(resid  334 and name ha   )(resid  337 and name hb+  ) 0.0  0.0  3.5   ! 
 assign(resid  334 and name hn   )(resid  331 and name ha   ) 0.0  0.0  5.5   !n 1.000000 670 1 
 assign(resid  335 and name hn   )(resid  332 and name ha   ) 0.0  0.0  4.2   !n 1.000000 1213 1 
 assign(resid  335 and name hn   )(resid  333 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 1218 1 
 assign(resid  335 and name hn   )(resid  331 and name ha   ) 0.0  0.0  5.5   !n 1.000000 1214 1 
 assign(resid  335 and name hn   )(resid  333 and name ha   ) 0.0  0.0  5.5   !n 1.000000 1193 1 
 assign(resid  335 and name ha   )(resid  338 and name hb1  ) 0.0  0.0  4.2   ! 
 assign(resid  335 and name hn   )(resid  331 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 1220 1 
 assign(resid  335 and name ha   )(resid  339 and name hd++ ) 0.0  0.0  4.7   ! 
 assign(resid  335 and name ha   )(resid  338 and name hb2  ) 0.0  0.0  5.5   ! 
 assign(resid  336 and name ha   )(resid  339 and name hd++ ) 0.0  0.0  4.7   !mdu 
 assign(resid  336 and name ha   )(resid  339 and name hb1  ) 0.0  0.0  4.2   ! 
 assign(resid  336 and name ha   )(resid  339 and name hg   ) 0.0  0.0  5.5   ! 
 assign(resid  336 and name hn   )(resid  332 and name ha   ) 0.0  0.0  5.5   !n 1.000000 947 1 
 assign(resid  336 and name hn   )(resid  333 and name ha   ) 0.0  0.0  4.2   !n 1.000000 948 1 
 assign(resid  337 and name ha   )(resid  340 and name hb+  ) 0.0  0.0  4.0   ! 
 assign(resid  337 and name hn   )(resid  335 and name ha   ) 0.0  0.0  5.5   !n 1.000000 1067 1 
 assign(resid  337 and name hn   )(resid  340 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 1073 1 
 assign(resid  337 and name hn   )(resid  333 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 1047 1 
 assign(resid  338 and name he22 )(resid  342 and name hd++ ) 0.0  0.0  7.0   !n 1.000000 1494 1 
 assign(resid  338 and name he21 )(resid  342 and name hd++ ) 0.0  0.0  7.0   !n 1.000000 1509 1 
 assign(resid  338 and name ha   )(resid  342 and name hd++ ) 0.0  0.0  4.7   ! 
 assign(resid  339 and name ha   )(resid  342 and name hd++ ) 0.0  0.0  4.7   ! 
 assign(resid  339 and name ha   )(resid  342 and name hg   ) 0.0  0.0  4.2   ! 
 assign(resid  341 and name hn   )(resid  344 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 1381 1 
 assign(resid  341 and name ha   )(resid  344 and name hb1  ) 0.0  0.0  4.2   ! 
 assign(resid  341 and name hn   )(resid  338 and name ha   ) 0.0  0.0  4.2   !n 1.000000 1375 1 
 assign(resid  342 and name hn   )(resid  344 and name hn   ) 3.2  0.0  2.3   !n 1.000000 hand 1 nnh 
 assign(resid  342 and name hn   )(resid  340 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 18 1 hnh 
 assign(resid  342 and name hn   )(resid  340 and name hn   ) 3.2  0.0  2.3   !n 1.000000 1 1 hnh 
 assign(resid  342 and name hn   )(resid  340 and name ha   ) 0.0  0.0  5.5   !n 1.000000 3 1 cnh 
 assign(resid  342 and name hn   )(resid  338 and name ha   ) 0.0  0.0  5.5   !n 1.000000 8 1 cnh 
 assign(resid  343 and name ha   )(resid  345 and name hg+  ) 0.0  0.0  5.0   ! 
 assign(resid  344 and name hn   )(resid  341 and name hb2  ) 0.0  0.0  5.5   !n 1.000000 11 1 hnh 
 assign(resid  344 and name ha   )(resid  346 and name hg2+ ) 0.0  0.0  4.0   ! 
 assign(resid  344 and name hn   )(resid  342 and name hg   ) 0.0  0.0  5.5   !n 1.000000 2 1 cnh 
 assign(resid  344 and name hn   )(resid  342 and name hb2  ) 0.0  0.0  5.5   !n 1.000000 14 1 hnh 
 assign(resid  344 and name hn   )(resid  341 and name hb1  ) 0.0  0.0  5.5   !n 1.000000 12 1 hnh 
 assign(resid  344 and name hn   )(resid  346 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 13 1 cnh 
 assign(resid  344 and name hn   )(resid  342 and name hb1  ) 0.0  0.0  5.5   !n 1.000000 3 1 hnh 
 assign(resid  346 and name hn   )(resid  344 and name hb2  ) 0.0  0.0  4.2   !n 1.000000 5 1 hnh 
 assign(resid  346 and name hn   )(resid  344 and name hb1  ) 0.0  0.0  5.5   !n 1.000000 12 1 hnh 
 assign(resid  346 and name hn   )(resid  344 and name ha   ) 0.0  0.0  4.2   !n 1.000000 3 1 cnh 
 assign(resid  346 and name hn   )(resid  350 and name hn   ) 0.0  0.0  5.5   !n 1.000000 hand 1 nnh 
 assign(resid  346 and name hn   )(resid  344 and name hn   ) 3.2  0.0  2.3   !n 1.000000 hand 1 nnh 
 assign(resid  346 and name hn   )(resid  349 and name ha+  ) 0.0  0.0  6.3   !n 1.000000 10 1 cnh 
 assign(resid  346 and name hn   )(resid  350 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 9 1 cnh 
 assign(resid  348 and name hn   )(resid  346 and name hb   ) 0.0  0.0  3.2   !n 1.000000 5 1 cnh 
 assign(resid  348 and name hn   )(resid  346 and name ha   ) 0.0  0.0  5.5   !n 1.000000 6 1 cnh 
 assign(resid  348 and name hn   )(resid  346 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 4 1 cnh 
 assign(resid  348 and name hn   )(resid  350 and name hn   ) 3.2  0.0  2.3   !n 1.000000 11 1 hnh 
 assign(resid  349 and name ha2  )(resid  346 and name hg2+ ) 0.0  0.0  6.3   ! 
 assign(resid  349 and name ha+  )(resid  352 and name hb   ) 0.0  0.0  4.0   ! 
 assign(resid  349 and name ha1  )(resid  346 and name hg2+ ) 0.0  0.0  6.3   ! 
 assign(resid  349 and name ha+  )(resid  353 and name hg2+ ) 0.0  0.0  4.8   ! 
 assign(resid  349 and name ha+  )(resid  352 and name hg1+ ) 0.0  0.0  4.8   ! 
 assign(resid  349 and name hn   )(resid  346 and name hb   ) 0.0  0.0  5.5   !n 1.000000 1453 1 
 assign(resid  350 and name hn   )(resid  353 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 777 1 
 assign(resid  350 and name ha   )(resid  353 and name hb   ) 0.0  0.0  4.2   ! 
 assign(resid  350 and name ha   )(resid  353 and name hg2+ ) 0.0  0.0  3.5   ! 
 assign(resid  350 and name ha   )(resid  354 and name hd1+ ) 0.0  0.0  4.0   ! 
 assign(resid  350 and name hn   )(resid  347 and name ha   ) 0.0  0.0  4.2   !n 1.000000 770 1 
 assign(resid  351 and name hn   )(resid  347 and name ha   ) 0.0  0.0  5.5   !n 1.000000 1324 1 
 assign(resid  351 and name hn   )(resid  354 and name hb   ) 0.0  0.0  5.5   !n 1.000000 1329 1 
 assign(resid  351 and name hn   )(resid  349 and name ha+  ) 0.0  0.0  6.3   !n 1.000000 1327 1 
 assign(resid  351 and name ha   )(resid  354 and name hb   ) 0.0  0.0  3.2   ! 
 assign(resid  351 and name hn   )(resid  354 and name hd1+ ) 0.0  0.0  6.3   !n 1.000000 1345 1 
 assign(resid  351 and name hn   )(resid  348 and name ha   ) 0.0  0.0  3.2   ! 
 assign(resid  351 and name ha   )(resid  354 and name hg1+ ) 0.0  0.0  6.3   ! 
 assign(resid  351 and name ha   )(resid  354 and name hd1+ ) 0.0  0.0  5.0   ! 
 assign(resid  352 and name hn   )(resid  349 and name ha+  ) 0.0  0.0  5.0   !n 1.000000 115 1 
 assign(resid  352 and name ha   )(resid  355 and name hb2  ) 0.0  0.0  4.2   ! 
 assign(resid  352 and name ha   )(resid  355 and name hb1  ) 0.0  0.0  3.2   ! 
 assign(resid  353 and name ha   )(resid  356 and name hb+  ) 0.0  0.0  3.5   ! 
 assign(resid  353 and name hn   )(resid  350 and name ha   ) 0.0  0.0  4.2   !n 1.000000 867 1 
 assign(resid  354 and name hn   )(resid  351 and name ha   ) 0.0  0.0  5.5   !n 1.000000 1052 1 
 assign(resid  354 and name ha   )(resid  357 and name hb+  ) 0.0  0.0  4.0   ! hbd stronger than hbu 
 assign(resid  354 and name hn   )(resid  352 and name ha   ) 0.0  0.0  5.5   !n 1.000000 1061 1 
 assign(resid  355 and name ha   )(resid  358 and name hb1  ) 0.0  0.0  5.5   ! 
 assign(resid  355 and name hn   )(resid  357 and name he+  ) 0.0  0.0  6.3   !n 1.000000 591 1 
 assign(resid  355 and name hn   )(resid  352 and name ha   ) 0.0  0.0  4.2   !n 1.000000 579 1 
 assign(resid  355 and name hn   )(resid  351 and name ha   ) 0.0  0.0  5.5   !n 1.000000 581 1 
 assign(resid  356 and name hn   )(resid  352 and name ha   ) 0.0  0.0  5.5   !n 1.000000 925 1 
 assign(resid  356 and name hn   )(resid  354 and name ha   ) 0.0  0.0  5.5   !n 1.000000 886 1 
 assign(resid  356 and name hn   )(resid  353 and name ha   ) 0.0  0.0  5.5   !n 1.000000 924 1 
 assign(resid  357 and name ha   )(resid  361 and name ha   ) 0.0  0.0  5.5   ! 
 assign(resid  357 and name hn   )(resid  353 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 1093 1 
 assign(resid  357 and name hn   )(resid  354 and name ha   ) 0.0  0.0  4.2   !n 1.000000 1085 1 
 assign(resid  357 and name hn   )(resid  354 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 1096 1 
 assign(resid  358 and name hn   )(resid  354 and name ha   ) 0.0  0.0  5.5   !n 1.000000 988 1 
 assign(resid  358 and name hn   )(resid  354 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 1021 1 
 assign(resid  359 and name hn   )(resid  357 and name ha   ) 0.0  0.0  5.5   !n 1.000000 2 1 cnh 
 assign(resid  359 and name hn   )(resid  361 and name hn   ) 3.2  0.0  2.3   !n 1.000000 hand 1 nnh 
 assign(resid  359 and name hn   )(resid  355 and name hd1+ ) 0.0  0.0  6.3   !n 1.000000 10 1 cnh 
 assign(resid  359 and name hn   )(resid  357 and name hn   ) 3.2  0.0  2.3   !n 1.000000 0 1 hnh 
 assign(resid  359 and name hn   )(resid  357 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 1245 1 
 assign(resid  359 and name hn   )(resid  356 and name ha   ) 0.0  0.0  4.2   !n 1.000000 4 1 cnh 
 assign(resid  359 and name hn   )(resid  355 and name hd2+ ) 0.0  0.0  6.3   !n 1.000000 12 1 cnh 
 assign(resid  360 and name hn   )(resid  362 and name hn   ) 3.2  0.0  2.3   !n 1.000000 4 1 hnh 
 assign(resid  360 and name hn   )(resid  356 and name ha   ) 0.0  0.0  5.5   !n 1.000000 1 1 hnh 
 assign(resid  360 and name hn   )(resid  358 and name hn   ) 3.2  0.0  2.3   !n 1.000000 1 1 hnh 
 assign(resid  360 and name hn   )(resid  357 and name ha   ) 0.0  0.0  4.2   !n 1.000000 1 1 hnh 
 assign(resid  361 and name hn   )(resid  358 and name ha   ) 0.0  0.0  5.5   !n 1.000000 6 1 cnh 
 assign(resid  361 and name hn   )(resid  357 and name ha   ) 0.0  0.0  4.2   !n 1.000000 0 1 cnh 
 assign(resid  361 and name hn   )(resid  359 and name ha   ) 0.0  0.0  5.5   !n 1.000000 11 1 hnh 
 assign(resid  366 and name hn   )(resid  369 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 13 1 hnh 
 assign(resid  367 and name hn   )(resid  369 and name hn   ) 3.2  0.0  2.3   !n 1.000000 0 1 hnh 
 assign(resid  367 and name ha   )(resid  370 and name hb1  ) 0.0  0.0  5.5   ! 
 assign(resid  367 and name ha   )(resid  370 and name hd++ ) 0.0  0.0  5.7   ! 
 assign(resid  367 and name ha   )(resid  370 and name hb2  ) 0.0  0.0  3.2   ! 
 assign(resid  368 and name hn   )(resid  370 and name hn   ) 3.2  0.0  2.3   !n 1.000000 4 1 hnh 
 assign(resid  368 and name hn   )(resid  366 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 5 1 cnh 
 assign(resid  368 and name hn   )(resid  366 and name ha   ) 0.0  0.0  4.2   !n 1.000000 8 1 cnh 
 assign(resid  368 and name ha   )(resid  371 and name ha   ) 0.0  0.0  5.5   ! 
 assign(resid  369 and name hn   )(resid  367 and name hb   ) 0.0  0.0  5.5   !n 1.000000 9 1 cnh 
 assign(resid  369 and name hb1  )(resid  366 and name hb+  ) 0.0  0.0  5.0   ! 
 assign(resid  369 and name hn   )(resid  366 and name hb+  ) 0.0  0.0  5.0   !n 1.000000 7 1 cnh 
 assign(resid  369 and name hb2  )(resid  366 and name hb+  ) 0.0  0.0  5.0   ! 
 assign(resid  369 and name hn   )(resid  367 and name ha   ) 0.0  0.0  5.5   !n 1.000000 0 1 cnh 
 assign(resid  369 and name hn   )(resid  371 and name hn   ) 3.2  0.0  2.3   !n 1.000000 19 1 hnh 
 assign(resid  369 and name hn   )(resid  366 and name ha   ) 0.0  0.0  5.5   !n 1.000000 5 1 cnh 
 assign(resid  369 and name hn   )(resid  367 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 14 1 hnh 
 assign(resid  369 and name hn   )(resid  367 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 13 1 hnh 
 assign(resid  370 and name hn   )(resid  367 and name ha   ) 0.0  0.0  4.2   !n 1.000000 1 1 cnh 
 assign(resid  370 and name hn   )(resid  368 and name ha   ) 0.0  0.0  4.2   !n 1.000000 4 1 cnh 
 assign(resid  370 and name hn   )(resid  372 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 10 1 cnh 
 assign(resid  370 and name hn   )(resid  372 and name hn   ) 3.2  0.0  2.3   !n 1.000000 2 1 hnh 
 assign(resid  370 and name hn   )(resid  366 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 0 1 cnh 
 assign(resid  371 and name ha   )(resid  367 and name hg1+ ) 0.0  0.0  6.3   ! 
 assign(resid  372 and name hn   )(resid  368 and name ha   ) 0.0  0.0  5.5   !n 1.000000 1 1 cnh 
 assign(resid  372 and name hn   )(resid  370 and name hd++ ) 0.0  0.0  7.0   !n 1.000000 12 1 cnh 
 assign(resid  372 and name hn   )(resid  370 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 4 1 cnh 
 assign(resid  379 and name ha   )(resid  382 and name hd+  ) 0.0  0.0  6.3   ! 
 assign(resid  379 and name ha   )(resid  382 and name ha   ) 0.0  0.0  5.5   ! 
 assign(resid  379 and name ha   )(resid  377 and name he1  ) 0.0  0.0  4.2   !n 1.000000 hand 1 hch 
 assign(resid  379 and name ha   )(resid  377 and name hd1  ) 0.0  0.0  4.2   !n 1.000000 hand 1 hch 
 assign(resid  380 and name hn   )(resid  378 and name ha   ) 0.0  0.0  4.2   !n 1.000000 1 1 cnh 
 assign(resid  380 and name hn   )(resid  378 and name hb   ) 0.0  0.0  2.7   !n 1.000000 4 1 hnh 
 assign(resid  380 and name hn   )(resid  378 and name hg2+ ) 0.0  0.0  5.0   !n 1.000000 9 1 hnh 
 assign(resid  381 and name hb+  )(resid  383 and name he+  ) 0.0  0.0  4.8   ! 
 assign(resid  381 and name hn   )(resid  379 and name ha   ) 0.0  0.0  5.5   !n 1.000000 3 1 cnh 
 assign(resid  381 and name hn   )(resid  378 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 7 1 cnh 
 assign(resid  381 and name hb+  )(resid  383 and name hg+  ) 0.0  0.0  4.8   ! 
 assign(resid  381 and name hn   )(resid  379 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 8 1 cnh 
 assign(resid  381 and name hn   )(resid  378 and name hb   ) 0.0  0.0  5.5   !n 1.000000 0 1 cnh 
 assign(resid  382 and name hn   )(resid  379 and name ha   ) 0.0  0.0  5.5   !n 1.000000 6 1 cnh 
 assign(resid  382 and name hn   )(resid  378 and name hn   ) 0.0  0.0  5.5   !n 1.000000 13 1 hnh 
 assign(resid  382 and name hn   )(resid  380 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 4 1 cnh 
 assign(resid  383 and name hn   )(resid  381 and name hb+  ) 0.0  0.0  5.0   !n 1.000000 0 1 cnh 
 assign(resid  383 and name hn   )(resid  381 and name ha   ) 0.0  0.0  5.5   !n 1.000000 1 1 cnh 
 assign(resid  386 and name hg12 )(resid  388 and name hb   ) 0.0  0.0  4.2   !n 1.000000 15 1 hch 
 assign(resid  388 and name hb   )(resid  386 and name hd1+ ) 0.0  0.0  5.0   !n 1.000000 85 1 hch 
 assign(resid  388 and name hn   )(resid  392 and name ha   ) 0.0  0.0  4.2   !n 1.000000 12 1 cnh 
 assign(resid  388 and name ha   )(resid  386 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 2 1 cnh 
 assign(resid  388 and name hn   )(resid  392 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 0 1 cnh 
 assign(resid  388 and name hg2+ )(resid  391 and name hb2  ) 0.0  0.0  4.0   !n 1.000000 111 1 hch 
 assign(resid  388 and name hg2+ )(resid  390 and name hb+  ) 0.0  0.0  4.8   !n 1.000000 109 1 hch 
 assign(resid  388 and name hn   )(resid  391 and name hb2  ) 0.0  0.0  4.2   !n 1.000000 2 1 hnh 
 assign(resid  388 and name hn   )(resid  392 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 6 1 cnh 
 assign(resid  388 and name hg12 )(resid  390 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 92 1 hch 
 assign(resid  391 and name he   )(resid  393 and name hd1+ ) 0.0  0.0  5.0   !n 1.000000 5 1 cnh 
 assign(resid  391 and name hn   )(resid  387 and name ha   ) 0.0  0.0  5.5   !n 1.000000 2 1 cnh 
 assign(resid  391 and name hd2  )(resid  388 and name hg2+ ) 0.0  0.0  5.0   !n 1.000000 154 1 hch 
 assign(resid  391 and name hn   )(resid  389 and name hb1  ) 0.0  0.0  5.5   !n 1.000000 14 1 hnh 
 assign(resid  391 and name hn   )(resid  388 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 5 1 cnh 
 assign(resid  391 and name hn   )(resid  389 and name hb2  ) 0.0  0.0  4.2   !n 1.000000 1 1 hnh 
 assign(resid  391 and name hn   )(resid  389 and name hn   ) 3.2  0.0  2.3   !n 1.000000 hand 1 nnh 
 assign(resid  391 and name hn   )(resid  388 and name hb   ) 0.0  0.0  5.5   !n 1.000000 3 1 cnh 
 assign(resid  391 and name hn   )(resid  388 and name hn   ) 0.0  0.0  3.2   !n 1.000000 hand 1 nnh 
 assign(resid  391 and name hd1  )(resid  388 and name hg2+ ) 0.0  0.0  5.0   !n 1.000000 154 1 hch 
 assign(resid  391 and name hn   )(resid  388 and name hg2+ ) 0.0  0.0  5.0   !n 1.000000 11 1 cnh 
 assign(resid  393 and name hd1+ )(resid  391 and name hb+  ) 0.0  0.0  4.8   ! 
 assign(resid  395 and name hn   )(resid  393 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 9 1 cnh 
 assign(resid  396 and name ha2  )(resid  400 and name hb+  ) 0.0  0.0  5.0   ! 
 assign(resid  396 and name ha1  )(resid  400 and name hb+  ) 0.0  0.0  5.0   ! 
 assign(resid  397 and name hn   )(resid  400 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 9 1 cnh 
 assign(resid  397 and name hn   )(resid  401 and name hd1+ ) 0.0  0.0  6.3   !n 1.000000 10 1 cnh 
 assign(resid  397 and name hn   )(resid  400 and name hn   ) 0.0  0.0  5.5   !n 1.000000 0 1 hnh 
 assign(resid  397 and name hn   )(resid  401 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 8 1 cnh 
 assign(resid  398 and name hg1+ )(resid  402 and name hd+  ) 0.0  0.0  5.8   ! 
 assign(resid  398 and name hg1+ )(resid  402 and name hg+  ) 0.0  0.0  5.8   ! 
 assign(resid  398 and name hg1+ )(resid  402 and name hb2  ) 0.0  0.0  5.0   ! 
 assign(resid  398 and name hg1+ )(resid  402 and name hb1  ) 0.0  0.0  5.0   ! 
 assign(resid  398 and name hn   )(resid  400 and name hn   ) 3.2  0.0  2.3   !n 1.000000 17 1 hnh 
 assign(resid  398 and name ha   )(resid  401 and name hb   ) 0.0  0.0  2.7   ! 
 assign(resid  399 and name ha   )(resid  402 and name hg+  ) 0.0  0.0  6.3   ! 
 assign(resid  399 and name hn   )(resid  397 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 1 1 cnh 
 assign(resid  399 and name hn   )(resid  397 and name ha   ) 0.0  0.0  4.2   !n 1.000000 2 1 cnh 
 assign(resid  399 and name ha   )(resid  402 and name hb1  ) 0.0  0.0  3.2   ! 
 assign(resid  399 and name hn   )(resid  401 and name hn   ) 0.0  0.0  5.5   !n 1.000000 12 1 hnh 
 assign(resid  399 and name ha   )(resid  402 and name hb2  ) 0.0  0.0  4.2   ! 
 assign(resid  399 and name ha   )(resid  402 and name hd+  ) 0.0  0.0  6.3   ! 
 assign(resid  400 and name hn   )(resid  398 and name hb   ) 0.0  0.0  5.5   !n 1.000000 15 1 cnh 
 assign(resid  400 and name hn   )(resid  398 and name ha   ) 0.0  0.0  5.5   !n 1.000000 0 1 cnh 
 assign(resid  400 and name ha   )(resid  403 and name hb+  ) 0.0  0.0  3.5   ! 
 assign(resid  400 and name hn   )(resid  403 and name hd+  ) 0.0  0.0  6.3   !n 1.000000 5 1 cnh 
 assign(resid  400 and name ha   )(resid  403 and name hd+  ) 0.0  0.0  4.0   ! 
 assign(resid  400 and name hn   )(resid  402 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 14 1 cnh 
 assign(resid  400 and name hn   )(resid  398 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 11 1 cnh 
 assign(resid  400 and name hn   )(resid  402 and name hn   ) 0.0  0.0  5.5   !n 1.000000 0 1 hnh 
 assign(resid  400 and name hn   )(resid  397 and name hb+  ) 0.0  0.0  5.0   !n 1.000000 1 1 cnh 
 assign(resid  400 and name hn   )(resid  397 and name ha   ) 0.0  0.0  5.5   !n 1.000000 13 1 cnh 
 assign(resid  400 and name ha   )(resid  403 and name hg+  ) 0.0  0.0  5.0   ! 
 assign(resid  401 and name ha   )(resid  404 and name hb2  ) 0.0  0.0  3.2   ! 
 assign(resid  401 and name hn   )(resid  399 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 18 1 cnh 
 assign(resid  401 and name hn   )(resid  397 and name hn   ) 0.0  0.0  5.5   !n 1.000000 19 1 hnh 
 assign(resid  401 and name hn   )(resid  399 and name ha   ) 0.0  0.0  5.5   !n 1.000000 5 1 cnh 
 assign(resid  401 and name ha   )(resid  405 and name hg2+ ) 0.0  0.0  6.3   ! 
 assign(resid  401 and name ha   )(resid  404 and name hb1  ) 0.0  0.0  2.7   ! 
 assign(resid  401 and name hn   )(resid  397 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 3 1 cnh 
 assign(resid  401 and name hn   )(resid  398 and name ha   ) 0.0  0.0  4.2   !n 1.000000 2 1 cnh 
 assign(resid  402 and name he   )(resid  398 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 288 1 
 assign(resid  402 and name hn   )(resid  399 and name ha   ) 0.0  0.0  4.2   !n 1.000000 0 1 cnh 
 assign(resid  402 and name ha   )(resid  405 and name hg2+ ) 0.0  0.0  4.0   ! 
 assign(resid  402 and name hn   )(resid  398 and name ha   ) 0.0  0.0  5.5   !n 1.000000 4 1 cnh 
 assign(resid  402 and name hn   )(resid  399 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 2 1 cnh 
 assign(resid  402 and name ha   )(resid  405 and name hb   ) 0.0  0.0  3.2   ! 
 assign(resid  402 and name hn   )(resid  398 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 10 1 cnh 
 assign(resid  403 and name hn   )(resid  400 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 8 1 cnh 
 assign(resid  403 and name ha   )(resid  406 and name hb+  ) 0.0  0.0  4.0   ! 
 assign(resid  403 and name hn   )(resid  400 and name ha   ) 0.0  0.0  4.2   !n 1.000000 9 1 cnh 
 assign(resid  403 and name hn   )(resid  405 and name hn   ) 3.2  0.0  2.3   !n 1.000000 12 1 hnh 
 assign(resid  403 and name hn   )(resid  399 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 4 1 cnh 
 assign(resid  403 and name hn   )(resid  399 and name ha   ) 0.0  0.0  4.2   !n 1.000000 2 1 cnh 
 assign(resid  403 and name hn   )(resid  401 and name ha   ) 0.0  0.0  5.5   !n 1.000000 15 1 hnh 
 assign(resid  404 and name hb1  )(resid  401 and name hg2+ ) 0.0  0.0  6.3   ! 
 assign(resid  404 and name hb1  )(resid  401 and name hd1+ ) 0.0  0.0  6.3   ! 
 assign(resid  404 and name ha   )(resid  407 and name hb+  ) 0.0  0.0  3.5   ! 
 assign(resid  404 and name hn   )(resid  401 and name hg2+ ) 0.0  0.0  5.0   !n 1.000000 12 1 cnh 
 assign(resid  404 and name hn   )(resid  401 and name ha   ) 0.0  0.0  3.2   !n 1.000000 7 1 cnh 
 assign(resid  404 and name hn   )(resid  407 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 1 1 cnh 
 assign(resid  404 and name hn   )(resid  400 and name ha   ) 0.0  0.0  4.2   !n 1.000000 9 1 cnh 
 assign(resid  404 and name hn   )(resid  406 and name hn   ) 3.2  0.0  2.3   !n 1.000000 1 1 hnh 
 assign(resid  404 and name hn   )(resid  402 and name hn   ) 3.2  0.0  2.3   !n 1.000000 0 1 hnh 
 assign(resid  404 and name hb2  )(resid  401 and name hd1+ ) 0.0  0.0  6.3   ! 
 assign(resid  404 and name hb2  )(resid  401 and name hg2+ ) 0.0  0.0  6.3   ! 
 assign(resid  404 and name hn   )(resid  401 and name hd1+ ) 0.0  0.0  6.3   !n 1.000000 6 1 cnh 
 assign(resid  405 and name hn   )(resid  401 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 5 1 cnh 
 assign(resid  405 and name hn   )(resid  402 and name ha   ) 0.0  0.0  3.2   !n 1.000000 11 1 hnh 
 assign(resid  405 and name hn   )(resid  407 and name hn   ) 3.2  0.0  2.3   !n 1.000000 0 1 hnh 
 assign(resid  405 and name ha   )(resid  408 and name hb2  ) 0.0  0.0  3.2   ! 
 assign(resid  405 and name hn   )(resid  403 and name ha   ) 0.0  0.0  5.5   !n 1.000000 9 1 hnh 
 assign(resid  405 and name hn   )(resid  401 and name ha   ) 0.0  0.0  4.2   !n 1.000000 10 1 hnh 
 assign(resid  405 and name ha   )(resid  408 and name hb1  ) 0.0  0.0  4.2   ! 
 assign(resid  406 and name hn   )(resid  408 and name hn   ) 3.2  0.0  2.3   !n 1.000000 5 1 hnh 
 assign(resid  406 and name hn   )(resid  402 and name ha   ) 0.0  0.0  4.2   !n 1.000000 1 1 cnh 
 assign(resid  406 and name hn   )(resid  403 and name ha   ) 0.0  0.0  4.2   !n 1.000000 7 1 hnh 
 assign(resid  407 and name hn   )(resid  404 and name hb2  ) 0.0  0.0  5.5   !n 1.000000 16 1 hnh 
 assign(resid  407 and name hn   )(resid  409 and name hn   ) 3.2  0.0  2.3   !n 1.000000 1 1 hnh 
 assign(resid  407 and name hn   )(resid  403 and name ha   ) 0.0  0.0  4.2   !n 1.000000 5 1 hnh 
 assign(resid  407 and name hn   )(resid  405 and name ha   ) 0.0  0.0  5.5   !n 1.000000 0 1 cnh 
 assign(resid  407 and name hn   )(resid  405 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 10 1 cnh 
 assign(resid  407 and name hn   )(resid  405 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 9 1 cnh 
 assign(resid  407 and name hn   )(resid  403 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 7 1 cnh 
 assign(resid  407 and name hn   )(resid  404 and name ha   ) 0.0  0.0  4.2   !n 1.000000 2 1 cnh 
 assign(resid  408 and name hb1  )(resid  405 and name hg2+ ) 0.0  0.0  6.3   ! 
 assign(resid  408 and name hb2  )(resid  405 and name hg2+ ) 0.0  0.0  6.3   ! 
 assign(resid  408 and name hd21 )(resid  405 and name ha   ) 0.0  0.0  5.5   !n 1.000000 1354 1 
 assign(resid  408 and name hn   )(resid  406 and name ha   ) 0.0  0.0  4.2   !n 1.000000 2 1 cnh 
 assign(resid  408 and name hn   )(resid  410 and name hn   ) 3.2  0.0  5.0   !n 1.000000 3 1 hnh 
 assign(resid  408 and name hn   )(resid  405 and name ha   ) 0.0  0.0  4.2   !n 1.000000 0 1 cnh 
 assign(resid  408 and name hd22 )(resid  404 and name ha   ) 0.0  0.0  4.2   !n 1.000000 1360 1 
 assign(resid  408 and name hn   )(resid  405 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 9 1 cnh 
 assign(resid  408 and name hn   )(resid  405 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 13 1 cnh 
 assign(resid  408 and name hn   )(resid  410 and name ha+  ) 0.0  0.0  6.3   !n 1.000000 6 1 cnh 
 assign(resid  408 and name hd22 )(resid  405 and name ha   ) 0.0  0.0  5.5   !n 1.000000 1354 1 
 assign(resid  408 and name hn   )(resid  406 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 12 1 cnh 
 assign(resid  408 and name hn   )(resid  404 and name ha   ) 0.0  0.0  4.2   !n 1.000000 1 1 cnh 
 assign(resid  408 and name hn   )(resid  406 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 8 1 cnh 
 assign(resid  408 and name hd21 )(resid  404 and name ha   ) 0.0  0.0  4.2   !n 1.000000 1355 1 
 assign(resid  409 and name hn   )(resid  406 and name ha   ) 0.0  0.0  4.2   !n 1.000000 1 1 cnh 
 assign(resid  409 and name hn   )(resid  405 and name ha   ) 0.0  0.0  5.5   !n 1.000000 9 1 cnh 
 assign(resid  409 and name hn   )(resid  407 and name ha   ) 0.0  0.0  4.2   !n 1.000000 2 1 cnh 
 assign(resid  409 and name hn   )(resid  405 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 8 1 cnh 
 assign(resid  409 and name hn   )(resid  407 and name hb+  ) 0.0  0.0  5.0   !n 1.000000 7 1 cnh 
 assign(resid  410 and name hn   )(resid  408 and name hb2  ) 0.0  0.0  4.2   !n 1.000000 14 1 hnh 
 assign(resid  410 and name hn   )(resid  407 and name ha   ) 0.0  0.0  5.5   !n 1.000000 4 1 cnh 
 assign(resid  410 and name hn   )(resid  406 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 9 1 cnh 
 assign(resid  410 and name hn   )(resid  406 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 0 1 cnh 
 assign(resid  410 and name ha+  )(resid  406 and name ha   ) 0.0  0.0  5.0   ! 
 assign(resid  410 and name hn   )(resid  406 and name ha   ) 0.0  0.0  3.2   !n 1.000000 3 1 cnh 
 assign(resid  410 and name hn   )(resid  408 and name hb1  ) 0.0  0.0  3.2   !n 1.000000 14 1 hnh 
 assign(resid  410 and name hn   )(resid  408 and name ha   ) 0.0  0.0  5.5   !n 1.000000 5 1 cnh 
 assign(resid  413 and name hb1  )(resid  416 and name hg2+ ) 0.0  0.0  4.0   ! 
 assign(resid  413 and name hb2  )(resid  416 and name hg2+ ) 0.0  0.0  4.0   ! 
 assign(resid  414 and name hn   )(resid  416 and name hn   ) 3.2  0.0  2.3   !n 1.000000 0 1 hnh 
 assign(resid  414 and name ha   )(resid  417 and name hb1  ) 0.0  0.0  4.2   ! 
 assign(resid  414 and name ha   )(resid  417 and name hb2  ) 0.0  0.0  4.2   ! 
 assign(resid  415 and name hn   )(resid  413 and name hb2  ) 0.0  0.0  4.2   !n 1.000000 12 1 hnh 
 assign(resid  415 and name hn   )(resid  413 and name ha   ) 0.0  0.0  4.2   !n 1.000000 8 1 cnh 
 assign(resid  415 and name hn   )(resid  417 and name hn   ) 3.2  0.0  2.3   !n 1.000000 5 1 hnh 
 assign(resid  415 and name ha   )(resid  418 and name hb+  ) 0.0  0.0  3.0   ! 
 assign(resid  415 and name ha   )(resid  418 and name hg+  ) 0.0  0.0  4.0   ! 
 assign(resid  415 and name hn   )(resid  413 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 11 1 hnh 
 assign(resid  416 and name hn   )(resid  414 and name ha   ) 0.0  0.0  4.2   !n 1.000000 17 1 cnh 
 assign(resid  416 and name hn   )(resid  413 and name hb2  ) 0.0  0.0  3.2   !n 1.000000 11 1 hnh 
 assign(resid  416 and name ha   )(resid  419 and name hb+  ) 0.0  0.0  5.0   ! 
 assign(resid  416 and name ha   )(resid  419 and name hg+  ) 0.0  0.0  5.0   ! 
 assign(resid  416 and name hb   )(resid  413 and name hb+  ) 0.0  0.0  4.0   ! 
 assign(resid  416 and name hn   )(resid  413 and name ha   ) 0.0  0.0  5.5   !n 1.000000 1 1 cnh 
 assign(resid  416 and name hg2+ )(resid  413 and name hg+  ) 0.0  0.0  4.8   ! 
 assign(resid  416 and name hn   )(resid  414 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 13 1 hnh 
 assign(resid  416 and name hn   )(resid  418 and name hn   ) 3.2  0.0  2.3   !n 1.000000 5 1 hnh 
 assign(resid  416 and name hn   )(resid  413 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 19 1 hnh 
 assign(resid  416 and name hn   )(resid  414 and name hb   ) 0.0  0.0  5.5   !n 1.000000 14 1 cnh 
 assign(resid  416 and name hn   )(resid  413 and name hd+  ) 0.0  0.0  5.0   !n 1.000000 15 1 cnh 
 assign(resid  416 and name hn   )(resid  413 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 10 1 hnh 
 assign(resid  417 and name hn   )(resid  414 and name ha   ) 0.0  0.0  4.2   !n 1.000000 2 1 cnh 
 assign(resid  417 and name hn   )(resid  413 and name hb1  ) 0.0  0.0  5.5   !n 1.000000 8 1 hnh 
 assign(resid  417 and name hn   )(resid  413 and name hd+  ) 0.0  0.0  6.3   !n 1.000000 12 1 cnh 
 assign(resid  417 and name hn   )(resid  414 and name hb   ) 0.0  0.0  5.5   !n 1.000000 1 1 cnh 
 assign(resid  417 and name hn   )(resid  415 and name ha   ) 0.0  0.0  5.5   !n 1.000000 0 1 cnh 
 assign(resid  417 and name hn   )(resid  419 and name hn   ) 3.2  0.0  2.3   !n 1.000000 2 1 hnh 
 assign(resid  417 and name hn   )(resid  414 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 0 1 hnh 
 assign(resid  417 and name ha   )(resid  420 and name hb   ) 0.0  0.0  3.2   ! 
 assign(resid  418 and name hn   )(resid  416 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 17 1 hnh 
 assign(resid  418 and name hn   )(resid  416 and name hb   ) 0.0  0.0  5.5   !n 1.000000 9 1 cnh 
 assign(resid  418 and name hn   )(resid  420 and name hb   ) 0.0  0.0  5.5   !n 1.000000 12 1 cnh 
 assign(resid  418 and name hn   )(resid  414 and name hb   ) 0.0  0.0  5.5   !n 1.000000 10 1 cnh 
 assign(resid  418 and name hn   )(resid  415 and name ha   ) 0.0  0.0  4.2   !n 1.000000 8 1 cnh 
 assign(resid  418 and name hn   )(resid  416 and name ha   ) 0.0  0.0  4.2   !n 1.000000 5 1 hnh 
 assign(resid  418 and name hn   )(resid  420 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 16 1 hnh 
 assign(resid  418 and name hn   )(resid  416 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 18 1 hnh 
 assign(resid  418 and name hn   )(resid  420 and name hn   ) 3.2  0.0  2.3   !n 1.000000 0 1 hnh 
 assign(resid  418 and name hn   )(resid  414 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 15 1 hnh 
 assign(resid  419 and name hn   )(resid  415 and name ha   ) 0.0  0.0  4.2   !n 1.000000 2 1 cnh 
 assign(resid  419 and name hn   )(resid  416 and name ha   ) 0.0  0.0  3.2   !n 1.000000 0 1 cnh 
 assign(resid  419 and name hn   )(resid  416 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 18 1 hnh 
 assign(resid  419 and name ha   )(resid  422 and name hb+  ) 0.0  0.0  3.5   ! 
 assign(resid  419 and name ha   )(resid  422 and name hg+  ) 0.0  0.0  4.0   ! 
 assign(resid  419 and name hn   )(resid  421 and name hn   ) 3.2  0.0  2.3   !n 1.000000 20 1 hnh 
 assign(resid  419 and name hn   )(resid  417 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 5 1 cnh 
 assign(resid  420 and name hn   )(resid  416 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 18 1 hnh 
 assign(resid  420 and name hn   )(resid  422 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 7 1 cnh 
 assign(resid  420 and name hn   )(resid  418 and name ha   ) 0.0  0.0  4.2   !n 1.000000 1 1 hnh 
 assign(resid  420 and name ha   )(resid  423 and name hb   ) 0.0  0.0  3.2   ! 
 assign(resid  420 and name ha   )(resid  423 and name hg1+ ) 0.0  0.0  6.3   ! 
 assign(resid  420 and name hn   )(resid  417 and name ha   ) 0.0  0.0  4.2   !n 1.000000 2 1 cnh 
 assign(resid  420 and name hn   )(resid  422 and name hn   ) 3.2  0.0  2.3   !n 1.000000 3 1 hnh 
 assign(resid  420 and name hn   )(resid  423 and name hb   ) 0.0  0.0  5.5   !n 1.000000 2 1 hnh 
 assign(resid  420 and name hn   )(resid  416 and name ha   ) 0.0  0.0  4.2   !n 1.000000 11 1 cnh 
 assign(resid  421 and name hn   )(resid  419 and name ha   ) 0.0  0.0  4.2   !n 1.000000 2 1 cnh 
 assign(resid  421 and name hn   )(resid  417 and name ha   ) 0.0  0.0  4.2   !n 1.000000 3 1 hnh 
 assign(resid  421 and name hb2  )(resid  418 and name ha   ) 0.0  0.0  2.7   ! 
 assign(resid  421 and name hn   )(resid  424 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 0 1 cnh 
 assign(resid  421 and name hn   )(resid  418 and name ha   ) 0.0  0.0  4.2   !n 1.000000 5 1 hnh 
 assign(resid  421 and name ha   )(resid  424 and name hb+  ) 0.0  0.0  3.0   ! 
 assign(resid  421 and name hb1  )(resid  418 and name ha   ) 0.0  0.0  2.7   ! 
 assign(resid  422 and name hn   )(resid  420 and name hb   ) 0.0  0.0  5.5   !n 1.000000 6 1 cnh 
 assign(resid  422 and name ha   )(resid  425 and name hg+  ) 0.0  0.0  5.0   ! 
 assign(resid  422 and name hn   )(resid  418 and name ha   ) 0.0  0.0  4.2   !n 1.000000 3 1 hnh 
 assign(resid  422 and name hn   )(resid  419 and name ha   ) 0.0  0.0  4.2   !n 1.000000 6 1 hnh 
 assign(resid  422 and name ha   )(resid  425 and name hd+  ) 0.0  0.0  4.0   ! 
 assign(resid  422 and name hn   )(resid  425 and name hd+  ) 0.0  0.0  6.3   !n 1.000000 13 1 cnh 
 assign(resid  422 and name hn   )(resid  424 and name hn   ) 3.2  0.0  2.3   !n 1.000000 hand 1 nnh 
 assign(resid  422 and name hn   )(resid  420 and name ha   ) 0.0  0.0  5.5   !n 1.000000 12 1 cnh 
 assign(resid  422 and name hn   )(resid  419 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 4 1 cnh 
 assign(resid  422 and name hn   )(resid  425 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 14 1 cnh 
 assign(resid  422 and name hn   )(resid  420 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 9 1 cnh 
 assign(resid  422 and name hn   )(resid  424 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 10 1 cnh 
 assign(resid  422 and name ha   )(resid  425 and name hb+  ) 0.0  0.0  3.5   ! 
 assign(resid  423 and name hn   )(resid  421 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 6 1 cnh 
 assign(resid  423 and name hn   )(resid  425 and name hn   ) 3.2  0.0  2.3   !n 1.000000 0 1 hnh 
 assign(resid  423 and name ha   )(resid  426 and name hb+  ) 0.0  0.0  4.0   ! 
 assign(resid  423 and name hn   )(resid  419 and name ha   ) 0.0  0.0  4.2   !n 1.000000 3 1 hnh 
 assign(resid  423 and name hn   )(resid  420 and name ha   ) 0.0  0.0  4.2   !n 1.000000 1 1 cnh 
 assign(resid  423 and name hn   )(resid  421 and name hn   ) 3.2  0.0  2.3   !n 1.000000 0 1 hnh 
 assign(resid  423 and name hn   )(resid  421 and name ha   ) 0.0  0.0  5.5   !n 1.000000 4 1 cnh 
 assign(resid  424 and name hn   )(resid  426 and name hn   ) 3.2  0.0  2.3   !n 1.000000 0 1 hnh 
 assign(resid  424 and name hn   )(resid  421 and name ha   ) 0.0  0.0  4.2   !n 1.000000 10 1 cnh 
 assign(resid  424 and name hn   )(resid  420 and name ha   ) 0.0  0.0  5.5   !n 1.000000 9 1 cnh 
 assign(resid  424 and name hn   )(resid  422 and name ha   ) 0.0  0.0  4.2   !n 1.000000 3 1 hnh 
 assign(resid  425 and name hn   )(resid  422 and name ha   ) 0.0  0.0  4.2   !n 1.000000 12 1 hnh 
 assign(resid  425 and name hn   )(resid  427 and name hn   ) 3.2  0.0  2.3   !n 1.000000 hand 1 nnh 
 assign(resid  425 and name hn   )(resid  423 and name ha   ) 0.0  0.0  5.5   !n 1.000000 2 1 cnh 
 assign(resid  425 and name hn   )(resid  421 and name ha   ) 0.0  0.0  5.5   !n 1.000000 4 1 cnh 
 assign(resid  426 and name hn   )(resid  424 and name ha   ) 0.0  0.0  5.5   !n 1.000000 6 1 cnh 
 assign(resid  426 and name hn   )(resid  423 and name ha   ) 0.0  0.0  4.2   !n 1.000000 4 1 cnh 
 assign(resid  426 and name hn   )(resid  428 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 1 1 cnh 
 assign(resid  426 and name hn   )(resid  422 and name ha   ) 0.0  0.0  5.5   !n 1.000000 13 1 hnh 
 assign(resid  427 and name hn   )(resid  425 and name ha   ) 0.0  0.0  5.5   !n 1.000000 1 1 cnh 
 assign(resid  427 and name hn   )(resid  423 and name ha   ) 0.0  0.0  5.5   !n 1.000000 10 1 cnh 
 assign(resid  427 and name hn   )(resid  424 and name ha   ) 0.0  0.0  4.2   !n 1.000000 3 1 cnh 
 assign(resid  427 and name hn   )(resid  425 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 6 1 cnh 
 assign(resid  428 and name hn   )(resid  430 and name hd+  ) 0.0  0.0  5.0   !n 1.000000 13 1 cnh 
 assign(resid  428 and name hn   )(resid  424 and name ha   ) 0.0  0.0  3.2   !n 1.000000 2 1 cnh 
 assign(resid  428 and name hn   )(resid  426 and name hg2  ) 0.0  0.0  5.5   !n 1.000000 12 1 hnh 
 assign(resid  428 and name hn   )(resid  426 and name ha   ) 0.0  0.0  5.5   !n 1.000000 1 1 cnh 
 assign(resid  428 and name hn   )(resid  426 and name hg1  ) 0.0  0.0  5.5   !n 1.000000 11 1 hnh 
 assign(resid  428 and name hn   )(resid  426 and name hn   ) 3.2  0.0  5.0   !n 1.000000 20 1 hnh 
 assign(resid  428 and name hn   )(resid  425 and name ha   ) 0.0  0.0  5.5   !n 1.000000 12 1 cnh 
 assign(resid  428 and name hn   )(resid  424 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 10 1 cnh 
 assign(resid  428 and name hn   )(resid  426 and name hb+  ) 0.0  0.0  5.0   !n 1.000000 6 1 cnh 
 assign(resid  434 and name hn   )(resid  432 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 8 1 cnh 
 assign(resid  435 and name hn   )(resid  438 and name ha   ) 0.0  0.0  5.5   !n 1.000000 10 1 hnh 
 assign(resid  435 and name hn   )(resid  438 and name hn   ) 0.0  0.0  4.2   !n 1.000000 18 1 hnh 
 assign(resid  435 and name hn   )(resid  438 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 20 1 hnh 
 assign(resid  435 and name hn   )(resid  439 and name ha   ) 0.0  0.0  4.2   !n 1.000000 1 1 cnh 
 assign(resid  436 and name hn   )(resid  434 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 7 1 cnh 
 assign(resid  438 and name hn   )(resid  434 and name ha   ) 0.0  0.0  5.5   !n 1.000000 0 1 cnh 
 assign(resid  438 and name hn   )(resid  436 and name ha+  ) 0.0  0.0  5.0   !n 1.000000 6 1 cnh 
 assign(resid  438 and name hn   )(resid  434 and name hb   ) 0.0  0.0  5.5   !n 1.000000 1 1 cnh 
 assign(resid  438 and name hn   )(resid  434 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 13 1 hnh 
 assign(resid  441 and name hn   )(resid  439 and name hg1+ ) 0.0  0.0  3.5   !n 1.000000 15 1 hnh 
 assign(resid  441 and name ha1  )(resid  439 and name hg1+ ) 0.0  0.0  5.0   ! 
 assign(resid  441 and name ha2  )(resid  439 and name hg1+ ) 0.0  0.0  4.0   ! 
 assign(resid  441 and name hn   )(resid  439 and name hb   ) 0.0  0.0  4.2   !n 1.000000 1 1 cnh 
 assign(resid  441 and name hn   )(resid  439 and name ha   ) 0.0  0.0  4.2   !n 1.000000 3 1 cnh 
 assign(resid  444 and name ha   )(resid  442 and name hg1+ ) 0.0  0.0  4.0   ! 
 assign(resid  444 and name ha   )(resid  442 and name hb   ) 0.0  0.0  5.5   !n 1.000000 11 1 cnh 
 assign(resid  444 and name hn   )(resid  442 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 9 1 cnh 

! long-range

 assign(resid  318 and name hn   )(resid  446 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 9 1 cnh 
 assign(resid  318 and name hn   )(resid  448 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 10 1 cnh 
 assign(resid  318 and name hn   )(resid  446 and name hn   ) 0.0  0.0  4.2   !n 1.000000 hand 1 nnh 
 assign(resid  318 and name hn   )(resid  448 and name hn   ) 0.0  0.0  5.5   !n 1.000000 hand 1 nnh 
 assign(resid  318 and name hn   )(resid  445 and name hd2+ ) 0.0  0.0  6.3   !n 1.000000 16 1 hnh 
 assign(resid  318 and name hn   )(resid  445 and name hb1  ) 0.0  0.0  5.5   !n 1.000000 17 1 hnh 
 assign(resid  318 and name hn   )(resid  447 and name ha   ) 0.0  0.0  4.2   !n 1.000000 2 1 cnh 
 assign(resid  318 and name hn   )(resid  447 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 0 1 cnh 
 assign(resid  319 and name ha   )(resid  445 and name hb2  ) 0.0  0.0  4.2   ! 
 assign(resid  319 and name hb+  )(resid  352 and name hg1+ ) 0.0  0.0  4.8    
 assign(resid  319 and name hn   )(resid  445 and name hd2+ ) 0.0  0.0  5.0   !n 1.000000 2 1 hnh 
 assign(resid  319 and name hb+  )(resid  352 and name hd1+ ) 0.0  0.0  7.1    
 assign(resid  319 and name hn   )(resid  351 and name hb+  ) 0.0  0.0  5.0   !n 1.000000 2 1 hnh 
 assign(resid  319 and name ha   )(resid  443 and name hg2+ ) 0.0  0.0  5.0   ! oder 
 assign(resid  319 and name ha   )(resid  445 and name hg   ) 0.0  0.0  4.2   !n 1.000000 hand 1 hch 
 assign(resid  319 and name hb+  )(resid  355 and name hd1+ ) 0.0  0.0  4.8    
 assign(resid  319 and name ha   )(resid  352 and name hg1+ ) 0.0  0.0  5.0   ! entweder 
 assign(resid  320 and name hb2  )(resid  446 and name hb+  ) 0.0  0.0  6.3   ! 
 assign(resid  320 and name hn   )(resid  444 and name hn   ) 0.0  0.0  5.5   !n 1.000000 14 1 hnh 
 assign(resid  320 and name hn   )(resid  445 and name hd2+ ) 0.0  0.0  5.0   !n 1.000000 1 1 cnh 
 assign(resid  320 and name hn   )(resid  443 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 10 1 cnh 
 assign(resid  320 and name hn   )(resid  445 and name ha   ) 0.0  0.0  3.2   !n 1.000000 9 1 cnh 
 assign(resid  320 and name hn   )(resid  446 and name hn   ) 0.0  0.0  4.2   !n 1.000000 6 1 hnh 
 assign(resid  320 and name hb2  )(resid  446 and name hg+  ) 0.0  0.0  4.0   ! 
 assign(resid  320 and name hn   )(resid  355 and name hd++ ) 0.0  0.0  7.0   !n 1.000000 0 1 cnh 
 assign(resid  320 and name hb1  )(resid  446 and name hg+  ) 0.0  0.0  4.0   ! 
 assign(resid  320 and name ha   )(resid  355 and name hd1+ ) 0.0  0.0  4.0    
 assign(resid  320 and name hn   )(resid  445 and name hg   ) 0.0  0.0  5.5   !n 1.000000 7 1 cnh 
 assign(resid  320 and name hn   )(resid  444 and name hb+  ) 0.0  0.0  5.0   !n 1.000000 2 1 cnh 
 assign(resid  321 and name hn   )(resid  444 and name ha   ) 0.0  0.0  5.5   !n 1.000000 14 1 cnh 
 assign(resid  321 and name hn   )(resid  445 and name ha   ) 0.0  0.0  4.2   !n 1.000000 15 1 cnh 
 assign(resid  321 and name hn   )(resid  444 and name hb+  ) 0.0  0.0  4.0   !n 1.000000 10 1 cnh 
 assign(resid  321 and name hn   )(resid  444 and name hn   ) 0.0  0.0  4.2   !n 1.000000 4 1 hnh 
 assign(resid  321 and name hn   )(resid  443 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 12 1 cnh 
 assign(resid  321 and name hn   )(resid  443 and name ha   ) 0.0  0.0  5.5   !n 1.000000 1 1 cnh 
 assign(resid  321 and name hn   )(resid  355 and name hd++ ) 0.0  0.0  4.7   !n 1.000000 7 1 cnh 
 assign(resid  321 and name hn   )(resid  445 and name hg   ) 0.0  0.0  5.5   !n 1.000000 16 1 cnh 
 assign(resid  321 and name hn   )(resid  445 and name hd2+ ) 0.0  0.0  6.3   !n 1.000000 8 1 cnh 
 assign(resid  321 and name ha   )(resid  355 and name hd1+ ) 0.0  0.0  5.0    
 assign(resid  321 and name hn   )(resid  446 and name hn   ) 0.0  0.0  5.5   !n 1.000000 1 1 hnh 
 assign(resid  322 and name hb+  )(resid  330 and name hg+  ) 0.0  0.0  4.8   ! 
 assign(resid  322 and name hn   )(resid  330 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 2 1 cnh 
 assign(resid  322 and name ha   )(resid  443 and name ha   ) 0.0  0.0  2.7   ! 
 assign(resid  322 and name hb2  )(resid  355 and name hd++ ) 0.0  0.0  4.7   ! 
 assign(resid  322 and name hb1  )(resid  355 and name hd++ ) 0.0  0.0  4.7   ! 
 assign(resid  322 and name hn   )(resid  355 and name hd1+ ) 0.0  0.0  6.3   !n 1.000000 5 1 cnh 
 assign(resid  322 and name ha   )(resid  444 and name hb+  ) 0.0  0.0  6.3   ! 
 assign(resid  322 and name hn   )(resid  355 and name hd2+ ) 0.0  0.0  6.3   !n 1.000000 6 1 cnh 
 assign(resid  323 and name hn   )(resid  442 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 10 1 cnh 
 assign(resid  323 and name hn   )(resid  442 and name hb   ) 0.0  0.0  4.2   !n 1.000000 4 1 cnh 
 assign(resid  323 and name hn   )(resid  443 and name ha   ) 0.0  0.0  4.2   !n 1.000000 0 1 cnh 
 assign(resid  323 and name hn   )(resid  333 and name hd++ ) 0.0  0.0  5.7   !n 1.000000 14 1 hnh 
 assign(resid  323 and name hg2+ )(resid  419 and name he+  ) 0.0  0.0  4.8   !n 1.000000 7 1 hnh 
 assign(resid  323 and name hn   )(resid  444 and name hn   ) 0.0  0.0  5.5   !n 1.000000 15 1 hnh 
 assign(resid  323 and name hn   )(resid  442 and name hn   ) 0.0  0.0  3.2   !n 1.000000 0 1 hnh 
 assign(resid  323 and name hn   )(resid  333 and name hg   ) 0.0  0.0  5.5   !n 1.000000 13 1 hnh 
 assign(resid  324 and name hb1  )(resid  330 and name ha   ) 0.0  0.0  4.2   ! 
 assign(resid  324 and name hb2  )(resid  330 and name ha   ) 0.0  0.0  4.2   ! 
 assign(resid  325 and name hn   )(resid  441 and name hn   ) 0.0  0.0  4.2   !n 1.000000 1 1 hnh 
 assign(resid  325 and name hn   )(resid  416 and name hg2+ ) 0.0  0.0  5.0   !n 1.000000 0 1 cnh 
 assign(resid  325 and name hn   )(resid  330 and name ha   ) 0.0  0.0  5.5   !n 1.000000 4 1 cnh 
 assign(resid  325 and name hn   )(resid  440 and name hd++ ) 0.0  0.0  7.0   !n 1.000000 11 1 cnh 
 assign(resid  325 and name hn   )(resid  440 and name ha   ) 0.0  0.0  5.5   !n 1.000000 1 1 cnh 
 assign(resid  325 and name ha   )(resid  416 and name hg2+ ) 0.0  0.0  3.5   ! 
 assign(resid  325 and name hn   )(resid  441 and name ha1  ) 0.0  0.0  3.2   !n hnh 
 assign(resid  325 and name ha   )(resid  416 and name hb   ) 0.0  0.0  3.2   ! 
 assign(resid  325 and name hn   )(resid  441 and name ha2  ) 0.0  0.0  3.2   !n 1.000000 5 1 hnh 
 assign(resid  325 and name hn   )(resid  333 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 7 1 cnh 
 assign(resid  325 and name hn   )(resid  442 and name hn   ) 0.0  0.0  4.2   !n 1.000000 14 1 hnh 
 assign(resid  325 and name hb+  )(resid  413 and name hg+  ) 0.0  0.0  4.8   ! 
 assign(resid  326 and name hn   )(resid  416 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 6 1 cnh 
 assign(resid  326 and name hn   )(resid  415 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 4 1 cnh 
 assign(resid  327 and name ha+  )(resid  413 and name hg+  ) 0.0  0.0  7.1   ! 
 assign(resid  328 and name hg1+ )(resid  440 and name hd++ ) 0.0  0.0  5.0   ! cch 
 assign(resid  328 and name hn   )(resid  440 and name ha   ) 0.0  0.0  5.5   !n 1.000000 8 1 cnh 
 assign(resid  328 and name hg2+ )(resid  440 and name hb+  ) 0.0  0.0  4.3   ! cch 
 assign(resid  328 and name hg2+ )(resid  440 and name ha   ) 0.0  0.0  4.0   ! cch 
 assign(resid  328 and name hg1+ )(resid  440 and name ha   ) 0.0  0.0  5.0   ! cch 
 assign(resid  328 and name hg1+ )(resid  440 and name hb+  ) 0.0  0.0  5.8   ! cch 
 assign(resid  329 and name hn   )(resid  324 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 7 1 cnh 
 assign(resid  329 and name hn   )(resid  324 and name hb1  ) 0.0  0.0  5.5   !n 1.000000 9 1 hnh 
 assign(resid  330 and name hn   )(resid  324 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 1 1 cnh 
 assign(resid  330 and name ha   )(resid  324 and name hg+  ) 0.0  0.0  5.0   ! 
 assign(resid  333 and name hb1  )(resid  324 and name ha   ) 0.0  0.0  5.5   ! 
 assign(resid  333 and name hn   )(resid  328 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 647 1 
 assign(resid  333 and name ha   )(resid  440 and name hd++ ) 0.0  0.0  4.2   ! 
 assign(resid  333 and name hn   )(resid  440 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 639 1 
 assign(resid  333 and name hb2  )(resid  324 and name ha   ) 0.0  0.0  5.5   ! 
 assign(resid  333 and name hn   )(resid  324 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 642 1 
 assign(resid  333 and name ha   )(resid  440 and name hb1  ) 0.0  0.0  4.2   ! 
 assign(resid  334 and name ha   )(resid  356 and name hb+  ) 0.0  0.0  4.0   ! 
 assign(resid  335 and name ha   )(resid  363 and name hg+  ) 0.0  0.0  5.0   ! 
 assign(resid  335 and name ha   )(resid  356 and name hb+  ) 0.0  0.0  5.0   ! 
 assign(resid  336 and name ha   )(resid  393 and name hd1+ ) 0.0  0.0  5.0   ! 
 assign(resid  336 and name hn   )(resid  440 and name hd1+ ) 0.0  0.0  5.0   ! 
 assign(resid  336 and name ha   )(resid  393 and name hg2+ ) 0.0  0.0  4.0   ! 
 assign(resid  336 and name hn   )(resid  440 and name hd2+ ) 0.0  0.0  5.0   ! 
 assign(resid  336 and name hn   )(resid  393 and name hd1+ ) 0.0  0.0  5.0   ! 
 assign(resid  336 and name hb+  )(resid  393 and name hg2+ ) 0.0  0.0  4.3   ! 
 assign(resid  337 and name hn   )(resid  433 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 1071 1 
 assign(resid  337 and name ha   )(resid  433 and name hg1+ ) 0.0  0.0  5.0   ! 
 assign(resid  337 and name ha   )(resid  433 and name hg2+ ) 0.0  0.0  4.0   ! 
 assign(resid  337 and name ha   )(resid  393 and name hg2+ ) 0.0  0.0  5.0   ! 
 assign(resid  337 and name hb+  )(resid  322 and name hz   ) 0.0  0.0  6.3    
 assign(resid  337 and name hn   )(resid  443 and name hd1+ ) 0.0  0.0  6.3   !n 1.000000 1074 1 
 assign(resid  338 and name he22 )(resid  363 and name hn   ) 0.0  0.0  4.2   ! 
 assign(resid  338 and name he22 )(resid  357 and name hg+  ) 0.0  0.0  5.0   ! 
 assign(resid  338 and name ha   )(resid  353 and name hg2+ ) 0.0  0.0  5.0   ! 
 assign(resid  338 and name hn   )(resid  433 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 877 1 
 assign(resid  338 and name he22 )(resid  364 and name hb+  ) 0.0  0.0  5.0    
 assign(resid  338 and name he22 )(resid  353 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 1494 1 
 assign(resid  338 and name he22 )(resid  353 and name ha   ) 0.0  0.0  4.2    
 assign(resid  338 and name he21 )(resid  353 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 1509 1 
 assign(resid  338 and name he21 )(resid  357 and name he+  ) 0.0  0.0  4.0   ! 
 assign(resid  338 and name he21 )(resid  356 and name hb+  ) 0.0  0.0  3.5    
 assign(resid  338 and name he21 )(resid  353 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 1509 1 
 assign(resid  338 and name he21 )(resid  364 and name hb+  ) 0.0  0.0  6.3    
 assign(resid  338 and name he22 )(resid  357 and name hb+  ) 0.0  0.0  5.0   ! 
 assign(resid  338 and name he21 )(resid  357 and name hg+  ) 0.0  0.0  6.3   ! 
 assign(resid  338 and name he22 )(resid  356 and name hb+  ) 0.0  0.0  4.0    
 assign(resid  338 and name ha   )(resid  353 and name hg1+ ) 0.0  0.0  5.0   ! 
 assign(resid  338 and name he22 )(resid  357 and name hd+  ) 0.0  0.0  5.0   ! 
 assign(resid  338 and name he21 )(resid  357 and name hb+  ) 0.0  0.0  5.0   ! 
 assign(resid  338 and name he21 )(resid  364 and name ha   ) 0.0  0.0  4.2    
 assign(resid  338 and name ha   )(resid  356 and name hb+  ) 0.0  0.0  5.0   !e 
 assign(resid  338 and name he21 )(resid  353 and name ha   ) 0.0  0.0  4.2    
 assign(resid  338 and name he22 )(resid  364 and name ha   ) 0.0  0.0  3.2    
 assign(resid  338 and name he22 )(resid  357 and name he+  ) 0.0  0.0  4.0   ! 
 assign(resid  338 and name hg+  )(resid  356 and name hb+  ) 0.0  0.0  4.8    
 assign(resid  338 and name he21 )(resid  363 and name hn   ) 0.0  0.0  4.2   ! 
 assign(resid  338 and name he22 )(resid  353 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 1494 1 
 assign(resid  338 and name ha   )(resid  352 and name hg2+ ) 0.0  0.0  4.0   !o 
 assign(resid  339 and name hn   )(resid  386 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 708 1 
 assign(resid  339 and name hn   )(resid  365 and name ha   ) 0.0  0.0  5.5   !n 1.000000 709 1 
 assign(resid  340 and name hn   )(resid  386 and name hd1+ ) 0.0  0.0  6.3   !n 1.000000 1299 1 
 assign(resid  340 and name hb+  )(resid  395 and name hg+  ) 0.0  0.0  4.3   ! 
 assign(resid  340 and name hb+  )(resid  385 and name ha1  ) 0.0  0.0  5.0   ! 
 assign(resid  340 and name ha   )(resid  385 and name ha2  ) 0.0  0.0  2.7   ! 
 assign(resid  340 and name hn   )(resid  386 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 1298 1 
 assign(resid  340 and name hn   )(resid  385 and name ha+  ) 0.0  0.0  6.3   !n 1.000000 1291 1 
 assign(resid  340 and name hn   )(resid  433 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 1301 1 
 assign(resid  340 and name ha   )(resid  386 and name hg2+ ) 0.0  0.0  3.5   ! 
 assign(resid  340 and name hb+  )(resid  395 and name hd+  ) 0.0  0.0  5.8   ! 
 assign(resid  340 and name ha   )(resid  385 and name ha1  ) 0.0  0.0  3.2   ! 
 assign(resid  340 and name hb+  )(resid  395 and name hb+  ) 0.0  0.0  4.8   ! 
 assign(resid  340 and name ha   )(resid  433 and name hg2+ ) 0.0  0.0  6.3   ! 
 assign(resid  340 and name hb+  )(resid  395 and name ha   ) 0.0  0.0  6.3   ! 
 assign(resid  340 and name hn   )(resid  393 and name hd1+ ) 0.0  0.0  6.3   !n 1.000000 1302 1 
 assign(resid  340 and name ha   )(resid  393 and name hg2+ ) 0.0  0.0  6.3   ! 
 assign(resid  340 and name ha   )(resid  386 and name hb   ) 0.0  0.0  3.2   ! 
 assign(resid  341 and name hn   )(resid  395 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 1376 1 
 assign(resid  341 and name hb2  )(resid  353 and name hg2+ ) 0.0  0.0  4.0   ! 
 assign(resid  341 and name hb1  )(resid  353 and name hg2+ ) 0.0  0.0  4.0   ! 
 assign(resid  341 and name ha   )(resid  353 and name hg2+ ) 0.0  0.0  5.0   ! 
 assign(resid  342 and name hn   )(resid  353 and name hg2+ ) 0.0  0.0  5.0   !n 1.000000 12 1 hnh 
 assign(resid  342 and name hn   )(resid  353 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 0 1 cnh 
 assign(resid  342 and name hn   )(resid  395 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 10 1 cnh 
 assign(resid  343 and name hn   )(resid  353 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 12 1 hnh 
 assign(resid  344 and name hn   )(resid  353 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 15 1 hnh 
 assign(resid  344 and name ha   )(resid  349 and name ha+  ) 0.0  0.0  5.0   ! 
 assign(resid  344 and name hn   )(resid  349 and name ha+  ) 0.0  0.0  6.3   !n 1.000000 7 1 cnh 
 assign(resid  344 and name ha   )(resid  376 and name hb1  ) 0.0  0.0  5.5   ! 
 assign(resid  344 and name hn   )(resid  377 and name hn   ) 0.0  0.0  5.5   !n 1.000000 18 1 hnh 
 assign(resid  349 and name ha1  )(resid  344 and name hb1  ) 0.0  0.0  4.2   ! 
 assign(resid  349 and name ha2  )(resid  344 and name hb2  ) 0.0  0.0  3.2   ! 
 assign(resid  349 and name ha1  )(resid  344 and name hb2  ) 0.0  0.0  3.2   ! 
 assign(resid  349 and name ha2  )(resid  344 and name hb1  ) 0.0  0.0  4.2   ! 
 assign(resid  350 and name he   )(resid  345 and name ha   ) 0.0  0.0  5.5   !n 1.000000 96 1 
 assign(resid  352 and name hg1+ )(resid  445 and name hd1+ ) 0.0  0.0  4.8   ! 
 assign(resid  352 and name hg1+ )(resid  443 and name hg2+ ) 0.0  0.0  4.8   ! 
 assign(resid  352 and name ha   )(resid  319 and name hb+  ) 0.0  0.0  4.0   ! 
 assign(resid  352 and name ha   )(resid  319 and name ha   ) 0.0  0.0  5.5   ! 
 assign(resid  353 and name ha   )(resid  338 and name hg2  ) 0.0  0.0  3.2   ! 
 assign(resid  353 and name ha   )(resid  338 and name hg1  ) 0.0  0.0  3.2   ! 
 assign(resid  356 and name ha   )(resid  361 and name hb+  ) 0.0  0.0  5.0   ! hbu 
 assign(resid  357 and name ha   )(resid  362 and name ha   ) 0.0  0.0  5.5   ! 
 assign(resid  357 and name ha   )(resid  362 and name hd++ ) 0.0  0.0  5.7   ! 
 assign(resid  357 and name hn   )(resid  338 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 1095 1 
 assign(resid  361 and name hb2  )(resid  331 and name hd+  ) 0.0  0.0  5.0   ! 
 assign(resid  361 and name hb2  )(resid  331 and name hg+  ) 0.0  0.0  6.3   ! 
 assign(resid  361 and name hb1  )(resid  331 and name hd+  ) 0.0  0.0  5.0   ! 
 assign(resid  361 and name hn   )(resid  331 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 1045 1 
 assign(resid  361 and name hn   )(resid  331 and name he+  ) 0.0  0.0  6.3   !n 1.000000 7 1 cnh 
 assign(resid  361 and name hb1  )(resid  331 and name hg+  ) 0.0  0.0  6.3   ! 
 assign(resid  362 and name ha   )(resid  357 and name hd+  ) 0.0  0.0  5.0   ! 
 assign(resid  362 and name hn   )(resid  357 and name hb1  ) 0.0  0.0  5.5   !n 1.000000 9 1 hnh 
 assign(resid  362 and name hn   )(resid  357 and name hb2  ) 0.0  0.0  5.5   !n 1.000000 12 1 hnh 
 assign(resid  362 and name hn   )(resid  357 and name ha   ) 0.0  0.0  3.2   !n 1.000000 0 1 cnh 
 assign(resid  362 and name hn   )(resid  357 and name hd+  ) 0.0  0.0  6.3   !n 1.000000 9 1 cnh 
 assign(resid  362 and name hn   )(resid  357 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 3 1 cnh 
 assign(resid  363 and name hn   )(resid  357 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 11 1 cnh 
 assign(resid  365 and name hb1  )(resid  342 and name hd1+ ) 0.0  0.0  5.0   ! 
 assign(resid  365 and name hb1  )(resid  342 and name hd2+ ) 0.0  0.0  4.0   ! 
 assign(resid  365 and name he   )(resid  342 and name hd++ ) 0.0  0.0  7.0   ! 
 assign(resid  365 and name hn   )(resid  338 and name he22 ) 0.0  0.0  5.5   !n 1.000000 15 1 hnh 
 assign(resid  365 and name hb2  )(resid  342 and name hd2+ ) 0.0  0.0  4.0   ! 
 assign(resid  365 and name hn   )(resid  342 and name hd1+ ) 0.0  0.0  6.3   !n 1.000000 6 1 hnh 
 assign(resid  365 and name hb2  )(resid  342 and name hd1+ ) 0.0  0.0  5.0   ! 
 assign(resid  365 and name hn   )(resid  342 and name hd2+ ) 0.0  0.0  6.3   !n 1.000000 14 1 hnh 
 assign(resid  366 and name hn   )(resid  339 and name hd2+ ) 0.0  0.0  6.3   !n 1.000000 8 1 cnh 
 assign(resid  366 and name hn   )(resid  339 and name hd1+ ) 0.0  0.0  6.3   !n 1.000000 5 1 cnh 
 assign(resid  367 and name hg1+ )(resid  374 and name hd2  ) 0.0  0.0  4.0   ! 
 assign(resid  367 and name hg2+ )(resid  374 and name he1  ) 0.0  0.0  4.0   ! 
 assign(resid  367 and name hg2+ )(resid  374 and name hd1  ) 0.0  0.0  4.0   ! 
 assign(resid  367 and name hg1+ )(resid  374 and name he2  ) 0.0  0.0  4.0   ! 
 assign(resid  367 and name hg2+ )(resid  386 and name hd1+ ) 0.0  0.0  4.8   ! 
 assign(resid  370 and name hn   )(resid  388 and name hd1+ ) 0.0  0.0  6.3   !n 1.000000 12 1 cnh 
 assign(resid  370 and name hb2  )(resid  388 and name hd1+ ) 0.0  0.0  4.0   ! 
 assign(resid  372 and name hn   )(resid  367 and name ha   ) 0.0  0.0  5.5   !n 1.000000 8 1 cnh 
 assign(resid  372 and name hb+  )(resid  367 and name ha   ) 0.0  0.0  5.0   ! 
 assign(resid  372 and name hn   )(resid  367 and name hb   ) 0.0  0.0  5.5   !n 1.000000 9 1 cnh 
 assign(resid  372 and name hn   )(resid  388 and name hd1+ ) 0.0  0.0  6.3   !n 1.000000 0 1 cnh 
 assign(resid  372 and name hn   )(resid  367 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 11 1 cnh 
 assign(resid  372 and name hn   )(resid  388 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 7 1 cnh 
 assign(resid  372 and name hn   )(resid  388 and name ha   ) 0.0  0.0  5.5   !n 1.000000 10 1 cnh 
 assign(resid  373 and name hn   )(resid  387 and name hb+  ) 0.0  0.0  5.0   !n 1.000000 1337 1 
 assign(resid  373 and name hn   )(resid  388 and name hb   ) 0.0  0.0  4.2   !n 1.000000 4 1 cnh 
 assign(resid  373 and name hn   )(resid  386 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 6 1 cnh 
 assign(resid  373 and name hn   )(resid  388 and name ha   ) 0.0  0.0  3.2   !n 1.000000 14 1 hnh 
 assign(resid  373 and name hn   )(resid  387 and name hn   ) 0.0  0.0  3.2   !n 1.000000 10 1 hnh 
 assign(resid  373 and name hn   )(resid  386 and name ha   ) 0.0  0.0  5.5   !n 1.000000 1 1 hnh 
 assign(resid  373 and name hn   )(resid  388 and name hn   ) 0.0  0.0  5.5   !n 1.000000 0 1 hnh 
 assign(resid  373 and name hn   )(resid  386 and name hd1+ ) 0.0  0.0  6.3   !n 1.000000 9 1 cnh 
 assign(resid  373 and name hn   )(resid  367 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 9 1 hnh 
 assign(resid  374 and name hn   )(resid  386 and name hg12 ) 0.0  0.0  5.5   !n 1.000000 9 1 hnh 
 assign(resid  374 and name hn   )(resid  386 and name hg11 ) 0.0  0.0  5.5   !n 1.000000 8 1 hnh 
 assign(resid  374 and name hb2  )(resid  343 and name hb+  ) 0.0  0.0  3.5   ! 
 assign(resid  374 and name hb1  )(resid  343 and name hb+  ) 0.0  0.0  3.5   ! 
 assign(resid  374 and name hn   )(resid  367 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 10 1 hnh 
 assign(resid  375 and name hn   )(resid  385 and name ha1  ) 0.0  0.0  5.5   !n 1.000000 12 1 hnh 
 assign(resid  375 and name hn   )(resid  386 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 5 1 cnh 
 assign(resid  375 and name hn   )(resid  387 and name hn   ) 0.0  0.0  5.5   !n 1.000000 1 1 hnh 
 assign(resid  375 and name hn   )(resid  385 and name ha2  ) 0.0  0.0  5.5   !n 1.000000 14 1 hnh 
 assign(resid  375 and name hn   )(resid  385 and name hn   ) 0.0  0.0  4.2   !n 1.000000 10 1 hnh 
 assign(resid  375 and name hn   )(resid  384 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 7 1 cnh 
 assign(resid  375 and name hn   )(resid  386 and name ha   ) 0.0  0.0  3.2   !n 1.000000 3 1 hnh 
 assign(resid  375 and name hn   )(resid  386 and name hb   ) 0.0  0.0  5.5   !n 1.000000 2 1 cnh 
 assign(resid  377 and name hb+  )(resid  395 and name he+  ) 0.0  0.0  4.3   !n 1.000000 hand 1 cch 
 assign(resid  377 and name hn   )(resid  384 and name ha   ) 0.0  0.0  5.5   !n 1.000000 5 1 cnh 
 assign(resid  377 and name hn   )(resid  344 and name ha   ) 0.0  0.0  5.5   !n 1.000000 6 1 cnh 
 assign(resid  377 and name hn   )(resid  384 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 4 1 hnh 
 assign(resid  377 and name hb+  )(resid  384 and name hb2  ) 0.0  0.0  5.0   !n 1.000000 hand 1 hch 
 assign(resid  377 and name hn   )(resid  385 and name hn   ) 0.0  0.0  5.5   !n 1.000000 hand 1 hnh 
 assign(resid  377 and name hb+  )(resid  384 and name hb1  ) 0.0  0.0  4.0   !n 1.000000 hand 1 hch 
 assign(resid  377 and name hn   )(resid  384 and name hb2  ) 0.0  0.0  4.2   !n 1.000000 3 1 hnh 
 assign(resid  377 and name hn   )(resid  343 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 1 1 cnh 
 assign(resid  382 and name hn   )(resid  377 and name hz   ) 0.0  0.0  4.2   !n 1.000000 3 1 hnh 
 assign(resid  382 and name ha   )(resid  377 and name he1  ) 0.0  0.0  4.2   !n 1.000000 hch 
 assign(resid  382 and name hn   )(resid  400 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 8 1 cnh 
 assign(resid  383 and name he+  )(resid  401 and name hb   ) 0.0  0.0  5.0   ! 
 assign(resid  383 and name hg+  )(resid  400 and name hb+  ) 0.0  0.0  4.8   !n 1.000000 hand 1 hch 
 assign(resid  383 and name hb1  )(resid  401 and name hd1+ ) 0.0  0.0  4.0   !n 1.000000 hand 1 hch 
 assign(resid  383 and name he+  )(resid  401 and name ha   ) 0.0  0.0  5.0   ! 
 assign(resid  383 and name hn   )(resid  377 and name ha   ) 0.0  0.0  4.2   !n 1.000000 7 1 cnh 
 assign(resid  383 and name ha   )(resid  396 and name ha1  ) 0.0  0.0  3.2   !n 1.000000 hand 1 hnh 
 assign(resid  383 and name ha   )(resid  396 and name ha2  ) 0.0  0.0  3.2   !n 1.000000 hand 1 hnh 
 assign(resid  383 and name hb2  )(resid  401 and name hd1+ ) 0.0  0.0  4.0   !n 1.000000 hand 1 hch 
 assign(resid  383 and name hn   )(resid  378 and name hn   ) 0.0  0.0  4.2   !n 1.000000 4 1 hnh 
 assign(resid  383 and name ha   )(resid  395 and name hg+  ) 0.0  0.0  5.0   ! 
 assign(resid  384 and name hn   )(resid  401 and name hd1+ ) 0.0  0.0  6.3   !n 1.000000 12 1 cnh 
 assign(resid  384 and name hn   )(resid  400 and name hb+  ) 0.0  0.0  6.3   ! 
 assign(resid  384 and name hn   )(resid  396 and name ha+  ) 0.0  0.0  4.0   !n 1.000000 5 1 hnh 
 assign(resid  384 and name hn   )(resid  394 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 6 1 cnh 
 assign(resid  384 and name hn   )(resid  395 and name he+  ) 0.0  0.0  6.3   ! 
 assign(resid  384 and name hn   )(resid  395 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 7 1 cnh 
 assign(resid  384 and name hn   )(resid  394 and name ha   ) 0.0  0.0  5.5   !n 1.000000 8 1 cnh 
 assign(resid  384 and name hn   )(resid  395 and name hn   ) 0.0  0.0  3.2   !n 1.000000 0 1 hnh 
 assign(resid  385 and name hn   )(resid  375 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 1 1 cnh 
 assign(resid  385 and name hn   )(resid  394 and name hd+  ) 0.0  0.0  6.3   !n 1.000000 8 1 cnh 
 assign(resid  385 and name hn   )(resid  340 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 9 1 cnh 
 assign(resid  385 and name ha2  )(resid  394 and name hd+  ) 0.0  0.0  6.3   ! 
 assign(resid  385 and name ha2  )(resid  394 and name ha   ) 0.0  0.0  2.7   ! 
 assign(resid  385 and name ha2  )(resid  393 and name hg2+ ) 0.0  0.0  6.3   ! 
 assign(resid  385 and name hn   )(resid  375 and name hb   ) 0.0  0.0  2.7   !n 1.000000 6 1 cnh 
 assign(resid  385 and name ha1  )(resid  393 and name hg2+ ) 0.0  0.0  6.3   ! 
 assign(resid  385 and name ha1  )(resid  394 and name hd+  ) 0.0  0.0  6.3   ! 
 assign(resid  385 and name ha2  )(resid  340 and name hb+  ) 0.0  0.0  3.5   ! 
 assign(resid  385 and name hn   )(resid  340 and name ha   ) 0.0  0.0  5.5   !n 1.000000 0 1 cnh 
 assign(resid  385 and name hn   )(resid  375 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 7 1 cnh 
 assign(resid  386 and name hd1+ )(resid  339 and name hd++ ) 0.0  0.0  5.5   !n 1.000000 hand 1 cch 
 assign(resid  386 and name hg2+ )(resid  393 and name hd1+ ) 0.0  0.0  5.8   ! 
 assign(resid  386 and name hg2+ )(resid  340 and name hb+  ) 0.0  0.0  4.3   !n 1.000000 39 1 hch 
 assign(resid  386 and name ha   )(resid  374 and name hb1  ) 0.0  0.0  5.5   ! 
 assign(resid  386 and name hn   )(resid  394 and name ha   ) 0.0  0.0  4.2   !n 1.000000 10 1 hnh 
 assign(resid  386 and name hg2+ )(resid  339 and name hb2  ) 0.0  0.0  5.0   !n 1.000000 36 1 hch 
 assign(resid  386 and name hb   )(resid  374 and name ha   ) 0.0  0.0  3.2   !n 1.000000 2 1 hch 
 assign(resid  386 and name hg1+ )(resid  374 and name ha   ) 0.0  0.0  4.0   ! 
 assign(resid  386 and name ha   )(resid  374 and name hb2  ) 0.0  0.0  5.5   ! 
 assign(resid  386 and name hn   )(resid  340 and name ha   ) 0.0  0.0  4.2   !n 1.000000 14 1 hnh 
 assign(resid  386 and name ha   )(resid  373 and name hg2+ ) 0.0  0.0  6.3   ! 
 assign(resid  386 and name hn   )(resid  340 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 4 1 cnh 
 assign(resid  386 and name hn   )(resid  393 and name hb   ) 0.0  0.0  4.2   !n 1.000000 2 1 cnh 
 assign(resid  386 and name hg2+ )(resid  393 and name hb   ) 0.0  0.0  3.5   !n 1.000000 36 1 hch 
 assign(resid  386 and name hg1+ )(resid  373 and name ha   ) 0.0  0.0  6.3   ! 
 assign(resid  386 and name hd1+ )(resid  372 and name hb+  ) 0.0  0.0  5.8   !n 1.000000 hand 1 cch 
 assign(resid  386 and name ha   )(resid  374 and name ha   ) 0.0  0.0  2.7   ! 
 assign(resid  386 and name hg2+ )(resid  339 and name hd++ ) 0.0  0.0  5.0   !n 1.000000 hand 1 cch 
 assign(resid  386 and name hn   )(resid  393 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 3 1 cnh 
 assign(resid  386 and name hg2+ )(resid  393 and name hg2+ ) 0.0  0.0  4.8   ! 
 assign(resid  387 and name ha   )(resid  392 and name ha   ) 0.0  0.0  2.2   ! 
 assign(resid  387 and name hn   )(resid  375 and name hg2+ ) 0.0  0.0  5.0   !n 1.000000 11 1 cnh 
 assign(resid  387 and name hd22 )(resid  373 and name hb   ) 0.0  0.0  5.5   !n 1.000000 1431 1 
 assign(resid  387 and name ha   )(resid  392 and name hg+  ) 0.0  0.0  6.3   ! 
 assign(resid  387 and name hd21 )(resid  375 and name hg2+ ) 0.0  0.0  4.0   !n 1.000000 1434 1 
 assign(resid  387 and name hd21 )(resid  392 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 1431 1 
 assign(resid  387 and name ha   )(resid  373 and name hb   ) 0.0  0.0  5.5   ! 
 assign(resid  387 and name hd21 )(resid  373 and name hb   ) 0.0  0.0  4.2   !n 1.000000 1431 1 
 assign(resid  387 and name hd22 )(resid  373 and name hg2+ ) 0.0  0.0  5.0   !n 1.000000 1431 1 
 assign(resid  387 and name hd22 )(resid  392 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 1431 1 
 assign(resid  387 and name hn   )(resid  373 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 11 1 hnh 
 assign(resid  387 and name ha   )(resid  392 and name hb1  ) 0.0  0.0  5.5   ! 
 assign(resid  387 and name hn   )(resid  372 and name hb+  ) 0.0  0.0  5.0   !n 1.000000 9 1 cnh 
 assign(resid  387 and name hb+  )(resid  375 and name hg2+ ) 0.0  0.0  5.8   !n 1.000000 54 1 hch 
 assign(resid  387 and name hd21 )(resid  373 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 1431 1 
 assign(resid  387 and name hd22 )(resid  375 and name hg2+ ) 0.0  0.0  4.0   !n 1.000000 1434 1 
 assign(resid  387 and name hb+  )(resid  373 and name hg2+ ) 0.0  0.0  5.8   !n 1.000000 54 1 hch 
 assign(resid  387 and name hn   )(resid  373 and name hb   ) 0.0  0.0  4.2   !n 1.000000 3 1 cnh 
 assign(resid  387 and name hb+  )(resid  373 and name hb   ) 0.0  0.0  3.5   !n 1.000000 54 1 hch 
 assign(resid  387 and name hn   )(resid  374 and name ha   ) 0.0  0.0  4.2   !n 1.000000 5 1 hnh 
 assign(resid  387 and name hn   )(resid  367 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 0 1 hnh 
 assign(resid  388 and name hg2+ )(resid  370 and name hd++ ) 0.0  0.0  6.5   !n 1.000000 hand 1 cch 
 assign(resid  388 and name hg2+ )(resid  370 and name hb+  ) 0.0  0.0  5.8   !n 1.000000 hand 1 cch 
 assign(resid  388 and name hb   )(resid  372 and name hb+  ) 0.0  0.0  3.5   !n 1.000000 hand 1 cch 
 assign(resid  388 and name hd1+ )(resid  370 and name hd++ ) 0.0  0.0  5.0   !n 1.000000 hand 1 cch 
 assign(resid  388 and name hb   )(resid  370 and name hb2  ) 0.0  0.0  4.2   !n 1.000000 82 1 hch 
 assign(resid  388 and name hn   )(resid  372 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 8 1 cnh 
 assign(resid  388 and name hb   )(resid  372 and name ha   ) 0.0  0.0  4.2   !n 1.000000 80 1 hch 
 assign(resid  389 and name hn   )(resid  372 and name hb+  ) 0.0  0.0  5.0   !n 1.000000 5 1 cnh 
 assign(resid  389 and name hn   )(resid  371 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 8 1 cnh 
 assign(resid  389 and name hn   )(resid  372 and name ha   ) 0.0  0.0  4.2   !n 1.000000 7 1 cnh 
 assign(resid  389 and name hn   )(resid  373 and name hn   ) 0.0  0.0  5.5   !n 1.000000 11 1 hnh 
 assign(resid  391 and name hd1  )(resid  370 and name hd++ ) 0.0  0.0  5.7   !n 1.000000 155 1 hch 
 assign(resid  391 and name hn   )(resid  370 and name hd++ ) 0.0  0.0  7.0   !n 1.000000 13 1 hnh 
 assign(resid  391 and name hd2  )(resid  370 and name hd++ ) 0.0  0.0  5.7   !n 1.000000 156 1 hch 
 assign(resid  391 and name he   )(resid  339 and name hb1  ) 0.0  0.0  5.5   !n 1.000000 12 1 hnh 
 assign(resid  392 and name hn   )(resid  387 and name ha   ) 0.0  0.0  5.5   !n 1.000000 11 1 cnh 
 assign(resid  392 and name ha   )(resid  387 and name hb+  ) 0.0  0.0  5.0   ! 
 assign(resid  392 and name hn   )(resid  435 and name hg2  ) 0.0  0.0  5.5   !n 1.000000 13 1 hnh 
 assign(resid  392 and name hn   )(resid  436 and name ha+  ) 0.0  0.0  6.3   !n 1.000000 1 1 cnh 
 assign(resid  392 and name hn   )(resid  435 and name hg1  ) 0.0  0.0  5.5   !n 1.000000 2 1 cnh 
 assign(resid  393 and name hd1+ )(resid  339 and name hd2+ ) 0.0  0.0  4.8   ! 
 assign(resid  393 and name hn   )(resid  386 and name hn   ) 0.0  0.0  4.2   ! ! nnh 918 hn 
 assign(resid  393 and name hn   )(resid  385 and name ha1  ) 0.0  0.0  5.5   !n 1.000000 17 1 hnh 
 assign(resid  393 and name hn   )(resid  386 and name hb   ) 0.0  0.0  5.5   !n 1.000000 0 1 cnh 
 assign(resid  393 and name hn   )(resid  387 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 5 1 cnh 
 assign(resid  393 and name hn   )(resid  387 and name ha   ) 0.0  0.0  4.2   !n 1.000000 3 1 cnh 
 assign(resid  393 and name hd1+ )(resid  339 and name hd1+ ) 0.0  0.0  4.8   ! 
 assign(resid  393 and name hd1+ )(resid  336 and name hb+  ) 0.0  0.0  5.8    
 assign(resid  393 and name hb   )(resid  340 and name hb+  ) 0.0  0.0  6.3    
 assign(resid  393 and name hn   )(resid  386 and name hg2+ ) 0.0  0.0  4.0   !n 1.000000 9 1 cnh 
 assign(resid  394 and name hb+  )(resid  434 and name hg2+ ) 0.0  0.0  4.8   ! 
 assign(resid  394 and name hn   )(resid  340 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 13 1 cnh 
 assign(resid  394 and name hn   )(resid  434 and name hb   ) 0.0  0.0  4.2   !n 1.000000 5 1 cnh 
 assign(resid  394 and name ha   )(resid  340 and name hb+  ) 0.0  0.0  6.3    
 assign(resid  394 and name hn   )(resid  401 and name hd1+ ) 0.0  0.0  6.3   !n 1.000000 16 1 cnh 
 assign(resid  394 and name ha   )(resid  385 and name ha1  ) 0.0  0.0  2.2   ! 
 assign(resid  394 and name hn   )(resid  435 and name ha   ) 0.0  0.0  4.2   !n 1.000000 3 1 cnh 
 assign(resid  394 and name hn   )(resid  434 and name hg2+ ) 0.0  0.0  5.0   !n 1.000000 11 1 cnh 
 assign(resid  394 and name hn   )(resid  434 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 10 1 cnh 
 assign(resid  394 and name hn   )(resid  435 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 7 1 cnh 
 assign(resid  394 and name hn   )(resid  385 and name ha1  ) 0.0  0.0  5.5   !n 1.000000 2 1 hnh 
 assign(resid  394 and name hb+  )(resid  434 and name hg1+ ) 0.0  0.0  5.8   ! 
 assign(resid  395 and name hn   )(resid  434 and name hg++ ) 0.0  0.0  7.0   !n 1.000000 15 1 cnh 
 assign(resid  395 and name hn   )(resid  385 and name ha+  ) 0.0  0.0  5.0   !n 1.000000 3 1 cnh 
 assign(resid  395 and name hb1  )(resid  433 and name ha   ) 0.0  0.0  4.2   ! 
 assign(resid  395 and name ha   )(resid  401 and name hd1+ ) 0.0  0.0  4.0   ! 
 assign(resid  395 and name hn   )(resid  383 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 9 1 hnh 
 assign(resid  395 and name hd+  )(resid  431 and name hd++ ) 0.0  0.0  5.5   !n 1.000000 9 1 cnh 
 assign(resid  395 and name hn   )(resid  433 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 14 1 cnh 
 assign(resid  395 and name hn   )(resid  433 and name ha   ) 0.0  0.0  5.5   !n 1.000000 11 1 cnh 
 assign(resid  395 and name hn   )(resid  401 and name hd1+ ) 0.0  0.0  6.3   !n 1.000000 16 1 cnh 
 assign(resid  395 and name ha   )(resid  433 and name ha   ) 0.0  0.0  2.2   ! 
 assign(resid  395 and name ha   )(resid  432 and name ha   ) 0.0  0.0  5.5   ! 
 assign(resid  395 and name hn   )(resid  384 and name ha   ) 0.0  0.0  5.5   !n 1.000000 12 1 cnh 
 assign(resid  395 and name hn   )(resid  383 and name he+  ) 0.0  0.0  6.3   !n 1.000000 17 1 cnh 
 assign(resid  395 and name hn   )(resid  383 and name ha   ) 0.0  0.0  5.5   !n 1.000000 13 1 cnh 
 assign(resid  395 and name hb2  )(resid  433 and name hg2+ ) 0.0  0.0  3.5   ! 
 assign(resid  395 and name hb2  )(resid  433 and name ha   ) 0.0  0.0  5.5   ! 
 assign(resid  395 and name ha   )(resid  433 and name hg++ ) 0.0  0.0  4.2   ! 
 assign(resid  395 and name hb1  )(resid  433 and name hg2+ ) 0.0  0.0  3.5   ! 
 assign(resid  395 and name hn   )(resid  340 and name hb+  ) 0.0  0.0  5.0   !n 1.000000 10 1 cnh 
 assign(resid  396 and name ha1  )(resid  401 and name hd1+ ) 0.0  0.0  4.0   ! 
 assign(resid  396 and name ha+  )(resid  383 and name hb+  ) 0.0  0.0  4.8   ! 
 assign(resid  396 and name ha+  )(resid  401 and name hg2+ ) 0.0  0.0  5.8   ! 
 assign(resid  396 and name hn   )(resid  433 and name hg2+ ) 0.0  0.0  5.0   !n 1.000000 6 1 cnh 
 assign(resid  396 and name hn   )(resid  401 and name hg1+ ) 0.0  0.0  4.0   !n 1.000000 4 1 cnh 
 assign(resid  396 and name ha+  )(resid  431 and name hd++ ) 0.0  0.0  5.5   ! 
 assign(resid  396 and name hn   )(resid  433 and name ha   ) 0.0  0.0  4.2   !n 1.000000 0 1 cnh 
 assign(resid  396 and name ha+  )(resid  401 and name hg1+ ) 0.0  0.0  4.8   ! 
 assign(resid  396 and name hn   )(resid  431 and name hd++ ) 0.0  0.0  7.0   !n 1.000000 14 1 cnh 
 assign(resid  396 and name hn   )(resid  432 and name hb   ) 0.0  0.0  4.2   !n 1.000000 2 1 cnh 
 assign(resid  396 and name hn   )(resid  401 and name hd1+ ) 0.0  0.0  4.0   !n 1.000000 13 1 cnh 
 assign(resid  396 and name ha+  )(resid  383 and name hg+  ) 0.0  0.0  5.8   ! 
 assign(resid  396 and name ha2  )(resid  401 and name hd1+ ) 0.0  0.0  4.0   ! 
 assign(resid  397 and name hn   )(resid  383 and name ha   ) 0.0  0.0  4.2   !n 1.000000 4 1 cnh 
 assign(resid  397 and name hn   )(resid  383 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 0 1 cnh 
 assign(resid  397 and name hn   )(resid  382 and name hb+  ) 0.0  0.0  5.0   !n 1.000000 7 1 cnh 
 assign(resid  397 and name hn   )(resid  382 and name hd+  ) 0.0  0.0  6.3   !n 1.000000 12 1 cnh 
 assign(resid  397 and name hn   )(resid  431 and name hd++ ) 0.0  0.0  5.7   !n 1.000000 1 1 cnh 
 assign(resid  397 and name hn   )(resid  383 and name hb+  ) 0.0  0.0  5.0   !n 1.000000 6 1 cnh 
 assign(resid  398 and name hn   )(resid  442 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 11 1 hnh 
 assign(resid  398 and name ha   )(resid  432 and name hb   ) 0.0  0.0  4.2   ! 
 assign(resid  398 and name hn   )(resid  430 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 12 1 hnh 
 assign(resid  398 and name hn   )(resid  431 and name ha   ) 0.0  0.0  5.5   !n 1.000000 4 1 cnh 
 assign(resid  398 and name hn   )(resid  431 and name hd++ ) 0.0  0.0  5.7   !n 1.000000 8 1 hnh 
 assign(resid  398 and name hn   )(resid  432 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 9 1 hnh 
 assign(resid  400 and name ha   )(resid  383 and name hg+  ) 0.0  0.0  6.3   ! 
 assign(resid  400 and name hn   )(resid  382 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 8 1 cnh 
 assign(resid  401 and name hn   )(resid  396 and name ha+  ) 0.0  0.0  6.3   !n 1.000000 17 1 cnh 
 assign(resid  401 and name hn   )(resid  383 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 9 1 cnh 
 assign(resid  401 and name hb   )(resid  432 and name hb   ) 0.0  0.0  3.2   ! 
 assign(resid  401 and name hb   )(resid  432 and name hg1+ ) 0.0  0.0  5.0   ! 
 assign(resid  401 and name hn   )(resid  432 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 0 1 cnh 
 assign(resid  401 and name hd1+ )(resid  383 and name he+  ) 0.0  0.0  5.8    
 assign(resid  401 and name hn   )(resid  383 and name he+  ) 0.0  0.0  6.3   !n 1.000000 20 1 cnh 
 assign(resid  401 and name hd1+ )(resid  434 and name hg1+ ) 0.0  0.0  5.8    
 assign(resid  401 and name hn   )(resid  432 and name hb   ) 0.0  0.0  5.5   !n 1.000000 19 1 cnh 
 assign(resid  401 and name hb   )(resid  432 and name hg2+ ) 0.0  0.0  5.0   ! 
 assign(resid  401 and name hd1+ )(resid  434 and name hg2+ ) 0.0  0.0  5.8    
 assign(resid  402 and name hg+  )(resid  412 and name he2  ) 0.0  0.0  5.0   ! 
 assign(resid  402 and name hg+  )(resid  412 and name hd2  ) 0.0  0.0  6.3   ! 
 assign(resid  402 and name hn   )(resid  439 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 13 1 cnh 
 assign(resid  404 and name hn   )(resid  383 and name he+  ) 0.0  0.0  5.0   !n 1.000000 13 1 cnh 
 assign(resid  404 and name hb2  )(resid  383 and name he+  ) 0.0  0.0  4.0   ! 
 assign(resid  404 and name hb1  )(resid  383 and name he+  ) 0.0  0.0  4.0   ! 
 assign(resid  405 and name ha   )(resid  437 and name ha   ) 0.0  0.0  5.5   ! 
 assign(resid  405 and name hg1+ )(resid  438 and name ha   ) 0.0  0.0  5.0   ! 
 assign(resid  405 and name hn   )(resid  412 and name hd1  ) 0.0  0.0  5.5   !n 1.000000 1 1 hnh 
 assign(resid  405 and name hn   )(resid  439 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 9 1 cnh 
 assign(resid  405 and name hg2+ )(resid  439 and name hg2+ ) 0.0  0.0  4.3   ! 
 assign(resid  405 and name hg2+ )(resid  437 and name ha   ) 0.0  0.0  5.0    
 assign(resid  405 and name hg1+ )(resid  437 and name ha   ) 0.0  0.0  5.0    
 assign(resid  408 and name hb2  )(resid  437 and name hb2  ) 0.0  0.0  5.5   ! 
 assign(resid  408 and name hn   )(resid  437 and name hb1  ) 0.0  0.0  5.5   !n 1.000000 20 1 hnh 
 assign(resid  408 and name hb1  )(resid  437 and name hb1  ) 0.0  0.0  5.5   ! 
 assign(resid  408 and name hb2  )(resid  437 and name hb1  ) 0.0  0.0  4.2   ! 
 assign(resid  408 and name hb1  )(resid  437 and name hb2  ) 0.0  0.0  5.5   ! 
 assign(resid  410 and name hn   )(resid  437 and name ha   ) 0.0  0.0  5.5   !n 1.000000 13 1 cnh 
 assign(resid  410 and name ha2  )(resid  437 and name hb2  ) 0.0  0.0  4.2   ! 
 assign(resid  410 and name hn   )(resid  405 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 10 1 cnh 
 assign(resid  410 and name ha+  )(resid  405 and name hb   ) 0.0  0.0  6.3   ! 
 assign(resid  410 and name hn   )(resid  405 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 11 1 cnh 
 assign(resid  410 and name ha+  )(resid  405 and name hg1+ ) 0.0  0.0  4.3   ! 
 assign(resid  410 and name hn   )(resid  437 and name hb1  ) 0.0  0.0  5.5   !n 1.000000 7 1 hnh 
 assign(resid  410 and name ha+  )(resid  405 and name hg2+ ) 0.0  0.0  7.1   ! 
 assign(resid  410 and name ha1  )(resid  437 and name hb2  ) 0.0  0.0  4.2   ! 
 assign(resid  410 and name hn   )(resid  405 and name ha   ) 0.0  0.0  5.5   !n 1.000000 1 1 cnh 
 assign(resid  410 and name hn   )(resid  437 and name hb2  ) 0.0  0.0  4.2   !n 1.000000 0 1 hnh 
 assign(resid  411 and name hn   )(resid  438 and name ha   ) 0.0  0.0  4.2   !n 1.000000 1 1 cnh 
 assign(resid  411 and name hn   )(resid  405 and name hg1+ ) 0.0  0.0  4.0   !n 1.000000 5 1 cnh 
 assign(resid  411 and name ha   )(resid  406 and name hg+  ) 0.0  0.0  4.0   ! 
 assign(resid  411 and name hn   )(resid  439 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 8 1 cnh 
 assign(resid  411 and name ha   )(resid  405 and name ha   ) 0.0  0.0  5.5   ! 
 assign(resid  411 and name hn   )(resid  405 and name hb   ) 0.0  0.0  5.5   !n 1.000000 6 1 cnh 
 assign(resid  411 and name ha   )(resid  405 and name hg1+ ) 0.0  0.0  5.0   ! 
 assign(resid  411 and name hn   )(resid  405 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 7 1 cnh 
 assign(resid  411 and name hn   )(resid  437 and name hb2  ) 0.0  0.0  5.5   !n 1.000000 9 1 hnh 
 assign(resid  412 and name hn   )(resid  405 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 6 1 cnh 
 assign(resid  412 and name hn   )(resid  402 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 9 1 cnh 
 assign(resid  412 and name hn   )(resid  405 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 10 1 cnh 
 assign(resid  412 and name hn   )(resid  406 and name hg1  ) 0.0  0.0  5.5   !n 1.000000 5 1 hnh 
 assign(resid  412 and name hn   )(resid  406 and name hg2  ) 0.0  0.0  5.5   !n 1.000000 10 1 hnh 
 assign(resid  413 and name hd1  )(resid  439 and name hg2+ ) 0.0  0.0  3.5   ! 
 assign(resid  413 and name hd1  )(resid  439 and name hg1+ ) 0.0  0.0  4.0   ! 
 assign(resid  413 and name hd2  )(resid  439 and name hg2+ ) 0.0  0.0  3.5   ! 
 assign(resid  413 and name hd+  )(resid  325 and name hb+  ) 0.0  0.0  5.8   ! 
 assign(resid  413 and name hd2  )(resid  439 and name hg1+ ) 0.0  0.0  4.0   ! 
 assign(resid  414 and name hn   )(resid  326 and name hb1  ) 0.0  0.0  5.5   !n 1.000000 9 1 hnh 
 assign(resid  414 and name hn   )(resid  326 and name hb2  ) 0.0  0.0  5.5   !n 1.000000 10 1 hnh 
 assign(resid  415 and name hn   )(resid  326 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 13 1 hnh 
 assign(resid  416 and name hg1+ )(resid  325 and name hb+  ) 0.0  0.0  4.8    
 assign(resid  416 and name hg2+ )(resid  325 and name hb+  ) 0.0  0.0  4.3   ! 
 assign(resid  416 and name hn   )(resid  325 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 13 1 cnh 
 assign(resid  416 and name hg2+ )(resid  441 and name ha2  ) 0.0  0.0  4.0   ! 
 assign(resid  417 and name hn   )(resid  325 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 14 1 cnh 
 assign(resid  417 and name ha   )(resid  442 and name hg++ ) 0.0  0.0  4.7   ! 
 assign(resid  417 and name hn   )(resid  412 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 5 1 cnh 
 assign(resid  418 and name hn   )(resid  413 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 4 1 cnh 
 assign(resid  419 and name hn   )(resid  323 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 14 1 cnh 
 assign(resid  420 and name ha   )(resid  442 and name hg1+ ) 0.0  0.0  3.0   ! 
 assign(resid  420 and name ha   )(resid  430 and name hg+  ) 0.0  0.0  4.0   ! 
 assign(resid  420 and name ha   )(resid  430 and name hb+  ) 0.0  0.0  5.0   ! 
 assign(resid  420 and name hg1+ )(resid  430 and name hg+  ) 0.0  0.0  4.8   ! 
 assign(resid  421 and name hn   )(resid  442 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 10 1 cnh 
 assign(resid  423 and name hg2+ )(resid  444 and name hb+  ) 0.0  0.0  4.8   ! 
 assign(resid  423 and name hn   )(resid  444 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 0 1 cnh 
 assign(resid  423 and name hn   )(resid  430 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 10 1 cnh 
 assign(resid  424 and name hn   )(resid  430 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 13 1 cnh 
 assign(resid  424 and name hn   )(resid  430 and name hd+  ) 0.0  0.0  6.3   !n 1.000000 11 1 cnh 
 assign(resid  428 and name hn   )(resid  423 and name ha   ) 0.0  0.0  5.5   !n 1.000000 0 1 cnh 
 assign(resid  428 and name hn   )(resid  423 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 8 1 cnh 
 assign(resid  428 and name ha   )(resid  446 and name hb+  ) 0.0  0.0  5.0   ! 
 assign(resid  428 and name hn   )(resid  423 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 7 1 cnh 
 assign(resid  429 and name hn   )(resid  423 and name hg1+ ) 0.0  0.0  4.0   !n 1.000000 3 1 cnh 
 assign(resid  429 and name hn   )(resid  445 and name hg   ) 0.0  0.0  5.5   !n 1.000000 0 1 cnh 
 assign(resid  429 and name hn   )(resid  445 and name hn   ) 0.0  0.0  3.2   !n 1.000000 14 1 hnh 
 assign(resid  429 and name hn   )(resid  446 and name ha   ) 0.0  0.0  5.5   !n 1.000000 6 1 cnh 
 assign(resid  429 and name hn   )(resid  446 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 11 1 cnh 
 assign(resid  429 and name hn   )(resid  445 and name hb1  ) 0.0  0.0  4.2   !n 1.000000 7 1 hnh 
 assign(resid  429 and name hn   )(resid  445 and name hb2  ) 0.0  0.0  3.2   !n 1.000000 5 1 hnh 
 assign(resid  429 and name hn   )(resid  444 and name ha   ) 0.0  0.0  4.2   !n 1.000000 7 1 cnh 
 assign(resid  430 and name hb+  )(resid  442 and name hg++ ) 0.0  0.0  5.5   ! 
 assign(resid  430 and name ha   )(resid  442 and name hg1+ ) 0.0  0.0  3.0   ! 
 assign(resid  430 and name ha   )(resid  423 and name hg1+ ) 0.0  0.0  3.5   ! 
 assign(resid  430 and name ha   )(resid  423 and name hg2+ ) 0.0  0.0  5.0   ! 
 assign(resid  430 and name ha   )(resid  444 and name hb+  ) 0.0  0.0  5.0   ! 
 assign(resid  430 and name hb+  )(resid  420 and name hg++ ) 0.0  0.0  5.5   ! 
 assign(resid  431 and name hb+  )(resid  445 and name hd2+ ) 0.0  0.0  5.8   ! 
 assign(resid  431 and name hn   )(resid  442 and name ha   ) 0.0  0.0  5.5   !n 1.000000 2 1 cnh 
 assign(resid  431 and name hg   )(resid  445 and name hd2+ ) 0.0  0.0  3.5   ! 
 assign(resid  431 and name hb+  )(resid  443 and name hd1+ ) 0.0  0.0  4.8   ! 
 assign(resid  431 and name hn   )(resid  443 and name hn   ) 0.0  0.0  3.2   !n 1.000000 3 1 hnh 
 assign(resid  431 and name hn   )(resid  444 and name ha   ) 0.0  0.0  4.2   !n 1.000000 4 1 cnh 
 assign(resid  431 and name hb+  )(resid  443 and name hb   ) 0.0  0.0  3.5   ! 
 assign(resid  431 and name hn   )(resid  443 and name hb   ) 0.0  0.0  3.2   !n 1.000000 6 1 cnh 
 assign(resid  431 and name hn   )(resid  443 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 13 1 cnh 
 assign(resid  431 and name hn   )(resid  442 and name hg1+ ) 0.0  0.0  4.0   !n 1.000000 11 1 cnh 
 assign(resid  431 and name hn   )(resid  443 and name ha   ) 0.0  0.0  5.5   !n 1.000000 0 1 cnh 
 assign(resid  432 and name hn   )(resid  396 and name ha+  ) 0.0  0.0  6.3   !n 1.000000 0 1 hnh 
 assign(resid  432 and name hn   )(resid  442 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 6 1 cnh 
 assign(resid  432 and name hg1+ )(resid  439 and name hg1+ ) 0.0  0.0  4.3   ! 
 assign(resid  432 and name hn   )(resid  397 and name ha   ) 0.0  0.0  5.5   !n 1.000000 8 1 cnh 
 assign(resid  432 and name hn   )(resid  443 and name hb   ) 0.0  0.0  5.5   !n 1.000000 9 1 cnh 
 assign(resid  432 and name hn   )(resid  401 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 10 1 cnh 
 assign(resid  432 and name hn   )(resid  395 and name ha   ) 0.0  0.0  5.5   !n 1.000000 12 1 cnh 
 assign(resid  432 and name hn   )(resid  398 and name ha   ) 0.0  0.0  5.5   !n 1.000000 11 1 cnh 
 assign(resid  432 and name hn   )(resid  442 and name ha   ) 0.0  0.0  5.5   !n 1.000000 7 1 cnh 
 assign(resid  432 and name hn   )(resid  443 and name hn   ) 0.0  0.0  5.5   !n 1.000000 1 1 hnh 
 assign(resid  432 and name hg1+ )(resid  401 and name hg2+ ) 0.0  0.0  4.3   ! 
 assign(resid  432 and name hn   )(resid  398 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 13 1 hnh 
 assign(resid  432 and name hn   )(resid  396 and name hn   ) 0.0  0.0  3.2   !n 1.000000 17 1 hnh 
 assign(resid  433 and name hn   )(resid  395 and name ha   ) 0.0  0.0  5.5   !n 1.000000 10 1 cnh 
 assign(resid  433 and name hb   )(resid  333 and name hd++ ) 0.0  0.0  4.7   ! 
 assign(resid  433 and name hg1+ )(resid  440 and name hd++ ) 0.0  0.0  5.5   ! 
 assign(resid  433 and name hn   )(resid  443 and name hn   ) 0.0  0.0  5.5   !n 1.000000 10 1 hnh 
 assign(resid  433 and name hb   )(resid  440 and name hb2  ) 0.0  0.0  5.5   ! 
 assign(resid  433 and name hn   )(resid  441 and name ha+  ) 0.0  0.0  6.3   !n 1.000000 2 1 cnh 
 assign(resid  433 and name hn   )(resid  441 and name hn   ) 0.0  0.0  3.2   !n 1.000000 4 1 hnh 
 assign(resid  433 and name hb   )(resid  333 and name hg   ) 0.0  0.0  5.5   ! 
 assign(resid  433 and name hb   )(resid  333 and name hb2  ) 0.0  0.0  5.5   ! 
 assign(resid  433 and name hn   )(resid  440 and name hn   ) 0.0  0.0  5.5   !n 1.000000 1 1 hnh 
 assign(resid  433 and name hn   )(resid  443 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 6 1 cnh 
 assign(resid  433 and name hn   )(resid  439 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 15 1 hnh 
 assign(resid  433 and name hn   )(resid  401 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 11 1 cnh 
 assign(resid  433 and name hn   )(resid  442 and name ha   ) 0.0  0.0  4.2   !n 1.000000 4 1 cnh 
 assign(resid  434 and name hn   )(resid  394 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 14 1 cnh 
 assign(resid  434 and name hn   )(resid  394 and name ha   ) 0.0  0.0  5.5   !n 1.000000 9 1 hnh 
 assign(resid  434 and name hg1+ )(resid  401 and name hg2+ ) 0.0  0.0  4.3   ! 
 assign(resid  434 and name ha   )(resid  440 and name hb2  ) 0.0  0.0  5.5   ! 
 assign(resid  434 and name hb   )(resid  439 and name ha   ) 0.0  0.0  3.2   !n 1.000000 hand 1 hch 
 assign(resid  434 and name ha   )(resid  440 and name hb1  ) 0.0  0.0  4.2   ! 
 assign(resid  434 and name hn   )(resid  393 and name ha   ) 0.0  0.0  4.2   !n 1.000000 1 1 hnh 
 assign(resid  434 and name hn   )(resid  439 and name ha   ) 0.0  0.0  5.5   !n 1.000000 1 1 cnh 
 assign(resid  434 and name hn   )(resid  440 and name hn   ) 0.0  0.0  5.5   !n 1.000000 19 1 hnh 
 assign(resid  434 and name hn   )(resid  401 and name hd1+ ) 0.0  0.0  6.3   !n 1.000000 15 1 cnh 
 assign(resid  434 and name hn   )(resid  394 and name hn   ) 0.0  0.0  3.2   !n 1.000000 hand 1 nnh 
 assign(resid  434 and name hn   )(resid  395 and name ha   ) 0.0  0.0  4.2   !n 1.000000 0 1 hnh 
 assign(resid  434 and name hn   )(resid  340 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 18 1 cnh 
 assign(resid  434 and name hn   )(resid  396 and name hn   ) 0.0  0.0  5.5   !n 1.000000 17 1 hnh 
 assign(resid  434 and name ha   )(resid  440 and name ha   ) 0.0  0.0  5.5   ! 
 assign(resid  434 and name hn   )(resid  394 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 7 1 cnh 
 assign(resid  434 and name hn   )(resid  440 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 16 1 cnh 
 assign(resid  434 and name hn   )(resid  393 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 0 1 cnh 
 assign(resid  434 and name hn   )(resid  395 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 13 1 cnh 
 assign(resid  435 and name hb+  )(resid  440 and name hg   ) 0.0  0.0  3.5   ! 
 assign(resid  435 and name hn   )(resid  393 and name ha   ) 0.0  0.0  5.5   !n 1.000000 2 1 cnh 
 assign(resid  435 and name hn   )(resid  393 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 18 1 hnh 
 assign(resid  435 and name ha   )(resid  336 and name hb+  ) 0.0  0.0  6.3   ! 
 assign(resid  435 and name ha   )(resid  393 and name hd1+ ) 0.0  0.0  4.0   ! 
 assign(resid  435 and name ha   )(resid  393 and name hg2+ ) 0.0  0.0  5.0   ! 
 assign(resid  435 and name hn   )(resid  393 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 11 1 cnh 
 assign(resid  435 and name hn   )(resid  440 and name hb2  ) 0.0  0.0  5.5   !n 1.000000 12 1 hnh 
 assign(resid  435 and name ha   )(resid  393 and name ha   ) 0.0  0.0  2.2   ! 
 assign(resid  435 and name hn   )(resid  440 and name hg   ) 0.0  0.0  4.2   !n 1.000000 6 1 cnh 
 assign(resid  435 and name hn   )(resid  440 and name hn   ) 0.0  0.0  4.2   !n 1.000000 17 1 hnh 
 assign(resid  435 and name hb+  )(resid  440 and name hd++ ) 0.0  0.0  6.5   ! 
 assign(resid  435 and name hn   )(resid  393 and name hd1+ ) 0.0  0.0  6.3   !n 1.000000 9 1 cnh 
 assign(resid  435 and name ha   )(resid  393 and name hg1+ ) 0.0  0.0  4.0   ! 
 assign(resid  436 and name ha+  )(resid  391 and name ha   ) 0.0  0.0  6.3   ! 
 assign(resid  436 and name hn   )(resid  392 and name hb+  ) 0.0  0.0  5.0   !n 1.000000 4 1 cnh 
 assign(resid  436 and name hn   )(resid  393 and name hd1+ ) 0.0  0.0  6.3   !n 1.000000 9 1 cnh 
 assign(resid  436 and name hn   )(resid  394 and name hn   ) 0.0  0.0  5.5   !n 1.000000 11 1 hnh 
 assign(resid  436 and name ha+  )(resid  392 and name hb1  ) 0.0  0.0  5.0   ! 
 assign(resid  436 and name hn   )(resid  392 and name hn   ) 0.0  0.0  3.2   !n 1.000000 hand 1 nnh 
 assign(resid  436 and name ha+  )(resid  392 and name hb2  ) 0.0  0.0  3.5   ! 
 assign(resid  436 and name hn   )(resid  393 and name ha   ) 0.0  0.0  4.2   !n 1.000000 0 1 cnh 
 assign(resid  437 and name hb1  )(resid  410 and name ha+  ) 0.0  0.0  4.0   ! 
 assign(resid  437 and name ha   )(resid  408 and name hd21 ) 0.0  0.0  4.2   ! 
 assign(resid  437 and name ha   )(resid  408 and name hb2  ) 0.0  0.0  4.2   ! 
 assign(resid  438 and name he   )(resid  328 and name hg2+ ) 0.0  0.0  5.0   ! 
 assign(resid  438 and name hn   )(resid  405 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 11 1 cnh 
 assign(resid  439 and name hb   )(resid  413 and name hd+  ) 0.0  0.0  5.0   ! 
 assign(resid  439 and name hn   )(resid  413 and name hd2  ) 0.0  0.0  5.5   !n 1.000000 6 1 hnh 
 assign(resid  439 and name hn   )(resid  413 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 12 1 cnh 
 assign(resid  439 and name hn   )(resid  413 and name hd1  ) 0.0  0.0  5.5   !n 1.000000 3 1 hnh 
 assign(resid  439 and name hn   )(resid  412 and name ha   ) 0.0  0.0  5.5   !n 1.000000 15 1 hnh 
 assign(resid  439 and name hn   )(resid  434 and name ha   ) 0.0  0.0  5.5   !n 1.000000 10 1 cnh 
 assign(resid  439 and name ha   )(resid  434 and name ha   ) 0.0  0.0  2.7   ! 
 assign(resid  439 and name hb   )(resid  412 and name ha   ) 0.0  0.0  4.2   ! 
 assign(resid  439 and name hn   )(resid  405 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 17 1 hnh 
 assign(resid  439 and name ha   )(resid  434 and name hg1+ ) 0.0  0.0  4.0   ! 
 assign(resid  439 and name ha   )(resid  405 and name hg2+ ) 0.0  0.0  5.0   ! 
 assign(resid  440 and name hd1+ )(resid  336 and name hb+  ) 0.0  0.0  4.8    
 assign(resid  440 and name hn   )(resid  401 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 12 1 cnh 
 assign(resid  440 and name hn   )(resid  432 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 8 1 cnh 
 assign(resid  440 and name hb2  )(resid  333 and name ha   ) 0.0  0.0  3.2   !n 1.000000 hand 1 hch 
 assign(resid  440 and name hn   )(resid  433 and name hb   ) 0.0  0.0  5.5   !n 1.000000 13 1 cnh 
 assign(resid  440 and name hn   )(resid  434 and name hb   ) 0.0  0.0  5.5   !n 1.000000 5 1 cnh 
 assign(resid  440 and name hn   )(resid  434 and name ha   ) 0.0  0.0  3.2   !n 1.000000 1 1 cnh 
 assign(resid  441 and name hn   )(resid  433 and name hg1+ ) 0.0  0.0  6.3   !n 1.000000 13 1 cnh 
 assign(resid  441 and name hn   )(resid  333 and name hd++ ) 0.0  0.0  5.7   ! 
 assign(resid  441 and name hn   )(resid  434 and name ha   ) 0.0  0.0  5.5   !n 1.000000 4 1 cnh 
 assign(resid  441 and name ha2  )(resid  324 and name ha   ) 0.0  0.0  2.7   ! 
 assign(resid  441 and name hn   )(resid  432 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 1 1 hnh 
 assign(resid  441 and name ha1  )(resid  325 and name hb+  ) 0.0  0.0  4.0   ! 
 assign(resid  441 and name ha2  )(resid  325 and name hb+  ) 0.0  0.0  3.5   ! 
 assign(resid  441 and name ha1  )(resid  324 and name ha   ) 0.0  0.0  2.2   ! 
 assign(resid  441 and name ha1  )(resid  333 and name hb1  ) 0.0  0.0  4.2   ! 
 assign(resid  441 and name hn   )(resid  324 and name ha   ) 0.0  0.0  5.5   !n 1.000000 17 1 cnh 
 assign(resid  441 and name hn   )(resid  325 and name hb+  ) 0.0  0.0  5.0   !n 1.000000 2 1 cnh 
 assign(resid  441 and name ha2  )(resid  333 and name hd++ ) 0.0  0.0  5.7   ! 
 assign(resid  441 and name hn   )(resid  433 and name hb   ) 0.0  0.0  4.2   !n 1.000000 8 1 cnh 
 assign(resid  441 and name hn   )(resid  413 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 9 1 cnh 
 assign(resid  441 and name ha1  )(resid  333 and name hd++ ) 0.0  0.0  5.7   ! 
 assign(resid  441 and name hn   )(resid  432 and name ha   ) 0.0  0.0  5.5   !n 1.000000 0 1 cnh 
 assign(resid  442 and name hn   )(resid  333 and name hg   ) 0.0  0.0  5.5   !n 1.000000 8 1 cnh 
 assign(resid  442 and name hn   )(resid  325 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 10 1 cnh 
 assign(resid  442 and name hn   )(resid  324 and name ha   ) 0.0  0.0  4.2   !n 1.000000 13 1 cnh 
 assign(resid  442 and name hn   )(resid  333 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 4 1 cnh 
 assign(resid  442 and name ha   )(resid  431 and name hb+  ) 0.0  0.0  6.3   ! 
 assign(resid  442 and name hn   )(resid  324 and name hd+  ) 0.0  0.0  6.3   !n 1.000000 2 1 cnh 
 assign(resid  442 and name hn   )(resid  322 and name ha   ) 0.0  0.0  5.5   !n 1.000000 1 1 cnh 
 assign(resid  442 and name hn   )(resid  323 and name hg2+ ) 0.0  0.0  6.3   !n 1.000000 11 1 cnh 
 assign(resid  442 and name hn   )(resid  323 and name hd1+ ) 0.0  0.0  6.3   !n 1.000000 15 1 cnh 
 assign(resid  442 and name ha   )(resid  432 and name ha   ) 0.0  0.0  2.7   ! 
 assign(resid  442 and name hn   )(resid  322 and name hb2  ) 0.0  0.0  5.5   !n 1.000000 15 1 hnh 
 assign(resid  443 and name hd1+ )(resid  433 and name hg2+ ) 0.0  0.0  4.8    
 assign(resid  443 and name hg2+ )(resid  355 and name hd1+ ) 0.0  0.0  5.8    
 assign(resid  443 and name hd1+ )(resid  337 and name hb+  ) 0.0  0.0  5.8    
 assign(resid  443 and name hn   )(resid  431 and name ha   ) 0.0  0.0  5.5   !n 1.000000 12 1 cnh 
 assign(resid  443 and name hn   )(resid  432 and name ha   ) 0.0  0.0  4.2   !n 1.000000 0 1 cnh 
 assign(resid  443 and name hn   )(resid  431 and name hb+  ) 0.0  0.0  5.0   !n 1.000000 2 1 cnh 
 assign(resid  443 and name hn   )(resid  430 and name ha   ) 0.0  0.0  5.5   !n 1.000000 11 1 cnh 
 assign(resid  443 and name hg2+ )(resid  322 and name ha   ) 0.0  0.0  5.0    
 assign(resid  444 and name ha   )(resid  319 and name ha   ) 0.0  0.0  5.5   ! 
 assign(resid  444 and name hn   )(resid  321 and name hb+  ) 0.0  0.0  5.0   !n 1.000000 4 1 cnh 
 assign(resid  444 and name ha   )(resid  423 and name hg1+ ) 0.0  0.0  3.5   ! 
 assign(resid  444 and name hn   )(resid  322 and name ha   ) 0.0  0.0  4.2   !n 1.000000 2 1 cnh 
 assign(resid  444 and name ha   )(resid  430 and name ha   ) 0.0  0.0  2.2   ! 
 assign(resid  444 and name ha   )(resid  423 and name hg2+ ) 0.0  0.0  4.0   ! 
 assign(resid  445 and name hn   )(resid  430 and name ha   ) 0.0  0.0  4.2   !n 1.000000 1 1 cnh 
 assign(resid  445 and name hd2+ )(resid  352 and name hd1+ ) 0.0  0.0  4.8   !n 1.000000 hand 1 cch 
 assign(resid  445 and name hd1+ )(resid  352 and name hd1+ ) 0.0  0.0  5.8    
 assign(resid  445 and name hd2+ )(resid  348 and name hg+  ) 0.0  0.0  4.8   !n 1.000000 hand 1 cch 
 assign(resid  445 and name hb1  )(resid  429 and name hb   ) 0.0  0.0  4.2   !n 1.000000 hand 1 hch 
 assign(resid  445 and name hn   )(resid  431 and name hn   ) 0.0  0.0  5.5   !n 1.000000 14 1 hnh 
 assign(resid  445 and name hd2+ )(resid  319 and name hb+  ) 0.0  0.0  4.8   !n 1.000000 hand 1 cch 
 assign(resid  445 and name hd2+ )(resid  352 and name hg2+ ) 0.0  0.0  4.8   !n 1.000000 hand 1 cch 
 assign(resid  445 and name hn   )(resid  429 and name hb   ) 0.0  0.0  4.2   !n 1.000000 0 1 cnh 
 assign(resid  445 and name hn   )(resid  423 and name hg1+ ) 0.0  0.0  5.0   !n 1.000000 6 1 cnh 
 assign(resid  445 and name hb2  )(resid  429 and name hb   ) 0.0  0.0  3.2   !n 1.000000 hand 1 hch 
 assign(resid  445 and name ha   )(resid  319 and name ha   ) 0.0  0.0  2.2   ! 
 assign(resid  446 and name hn   )(resid  317 and name ha   ) 0.0  0.0  5.5   !n 1.000000 9 1 cnh 
 assign(resid  446 and name hn   )(resid  320 and name hb1  ) 0.0  0.0  5.5   !n 1.000000 17 1 hnh 
 assign(resid  446 and name hb+  )(resid  428 and name hb+  ) 0.0  0.0  5.8   ! 
 assign(resid  446 and name hn   )(resid  318 and name hg+  ) 0.0  0.0  6.3   !n 1.000000 0 1 cnh 
 assign(resid  446 and name hn   )(resid  429 and name hn   ) 0.0  0.0  5.5   !n 1.000000 hand 1 nnh 
 assign(resid  446 and name hn   )(resid  319 and name ha   ) 0.0  0.0  4.2   !n 1.000000 12 1 hnh 
 assign(resid  446 and name hn   )(resid  318 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 6 1 cnh 
 assign(resid  446 and name hn   )(resid  320 and name hb2  ) 0.0  0.0  5.5   !n 1.000000 18 1 hnh 
 assign(resid  447 and name hn   )(resid  428 and name ha   ) 0.0  0.0  5.5   !n 1.000000 1 1 cnh 
 assign(resid  447 and name hn   )(resid  317 and name ha   ) 0.0  0.0  5.5   !n 1.000000 7 1 cnh 
 assign(resid  447 and name hn   )(resid  428 and name hb+  ) 0.0  0.0  5.0   !n 1.000000 6 1 cnh 
 assign(resid  448 and name hn   )(resid  316 and name hb+  ) 0.0  0.0  6.3   !n 1.000000 0 1 cnh 
 assign(resid  448 and name hn   )(resid  317 and name hg+  ) 0.0  0.0  5.0   !n 1.000000 6 1 cnh 
 assign(resid  448 and name hn   )(resid  317 and name ha   ) 0.0  0.0  4.2   !n 1.000000 10 1 cnh 

! Hbond

assign(resid 318 and name HN )(resid 446 and name O ) 2.1 0.3 0.4 
assign(resid 318 and name  N )(resid 446 and name O ) 3.1 0.5 0.4 

assign(resid 446 and name HN )(resid 318 and name O ) 2.1 0.3 0.4 
assign(resid 446 and name  N )(resid 318 and name O ) 3.1 0.5 0.4 

assign(resid 320 and name HN )(resid 444 and name O ) 2.1 0.3 0.4 
assign(resid 320 and name  N )(resid 444 and name O ) 3.1 0.5 0.4 

assign(resid 321 and name HN )(resid 444 and name O ) 2.1 0.3 0.4 
assign(resid 321 and name  N )(resid 444 and name O ) 3.1 0.5 0.4 

assign(resid 444 and name HN )(resid 321 and name O ) 2.1 0.3 0.4 
assign(resid 444 and name  N )(resid 321 and name O ) 3.1 0.5 0.4 

assign(resid 323 and name HN )(resid 442 and name O ) 2.1 0.3 0.4 
assign(resid 323 and name  N )(resid 442 and name O ) 3.1 0.5 0.4 

assign(resid 442 and name HN )(resid 323 and name O ) 2.1 0.3 0.4 
assign(resid 442 and name  N )(resid 323 and name O ) 3.1 0.5 0.4 

assign(resid 328 and name HN )(resid 325 and name O ) 2.1 0.3 0.4 
assign(resid 328 and name  N )(resid 325 and name O ) 3.1 0.5 0.4 

assign(resid 435 and name HN )(resid 438 and name O ) 2.1 0.3 0.4 
assign(resid 435 and name  N )(resid 438 and name O ) 3.1 0.5 0.4 

assign(resid 438 and name HN )(resid 435 and name O ) 2.1 0.3 0.4 
assign(resid 438 and name  N )(resid 435 and name O ) 3.1 0.5 0.4 

assign(resid 440 and name HN )(resid 433 and name O ) 2.1 0.3 0.4 
assign(resid 440 and name  N )(resid 433 and name O ) 3.1 0.5 0.4 

assign(resid 441 and name HN )(resid 433 and name O ) 2.1 0.3 0.4 
assign(resid 441 and name  N )(resid 433 and name O ) 3.1 0.5 0.4 

assign(resid 433 and name HN )(resid 441 and name O ) 2.1 0.3 0.4 
assign(resid 433 and name  N )(resid 441 and name O ) 3.1 0.5 0.4 

assign(resid 443 and name HN )(resid 431 and name O ) 2.1 0.3 0.4 
assign(resid 443 and name  N )(resid 431 and name O ) 3.1 0.5 0.4 

assign(resid 431 and name HN )(resid 443 and name O ) 2.1 0.3 0.4 
assign(resid 431 and name  N )(resid 443 and name O ) 3.1 0.5 0.4 

assign(resid 445 and name HN )(resid 429 and name O ) 2.1 0.3 0.4 
assign(resid 445 and name  N )(resid 429 and name O ) 3.1 0.5 0.4 

assign(resid 429 and name HN )(resid 445 and name O ) 2.1 0.3 0.4 
assign(resid 429 and name  N )(resid 445 and name O ) 3.1 0.5 0.4 

assign(resid 432 and name HN )(resid 396 and name O ) 2.1 0.3 0.4 
assign(resid 432 and name  N )(resid 396 and name O ) 3.1 0.5 0.4 

assign(resid 396 and name HN )(resid 432 and name O ) 2.1 0.3 0.4 
assign(resid 396 and name  N )(resid 432 and name O ) 3.1 0.5 0.4 

assign(resid 434 and name HN )(resid 394 and name O ) 2.1 0.3 0.4 
assign(resid 434 and name  N )(resid 394 and name O ) 3.1 0.5 0.4 

assign(resid 394 and name HN )(resid 434 and name O ) 2.1 0.3 0.4 
assign(resid 394 and name  N )(resid 434 and name O ) 3.1 0.5 0.4 

assign(resid 436 and name HN )(resid 392 and name O ) 2.1 0.3 0.4 
assign(resid 436 and name  N )(resid 392 and name O ) 3.1 0.5 0.4 

assign(resid 395 and name HN )(resid 384 and name O ) 2.1 0.3 0.4 
assign(resid 395 and name  N )(resid 384 and name O ) 3.1 0.5 0.4 

assign(resid 384 and name HN )(resid 395 and name O ) 2.1 0.3 0.4 
assign(resid 384 and name  N )(resid 395 and name O ) 3.1 0.5 0.4 

assign(resid 393 and name HN )(resid 386 and name O ) 2.1 0.3 0.4 
assign(resid 393 and name  N )(resid 386 and name O ) 3.1 0.5 0.4 

assign(resid 386 and name HN )(resid 393 and name O ) 2.1 0.3 0.4 
assign(resid 386 and name  N )(resid 393 and name O ) 3.1 0.5 0.4 

assign(resid 391 and name HN )(resid 388 and name O ) 2.1 0.3 0.4 
assign(resid 391 and name  N )(resid 388 and name O ) 3.1 0.5 0.4 

assign(resid 388 and name HN )(resid 391 and name O ) 2.1 0.3 0.4 
assign(resid 388 and name  N )(resid 391 and name O ) 3.1 0.5 0.4 

assign(resid 383 and name HN )(resid 378 and name O ) 2.1 0.3 0.4 
assign(resid 383 and name  N )(resid 378 and name O ) 3.1 0.5 0.4 

assign(resid 378 and name HN )(resid 383 and name O ) 2.1 0.3 0.4 
assign(resid 378 and name  N )(resid 383 and name O ) 3.1 0.5 0.4 

assign(resid 385 and name HN )(resid 375 and name O ) 2.1 0.3 0.4 
assign(resid 385 and name  N )(resid 375 and name O ) 3.1 0.5 0.4 

assign(resid 375 and name HN )(resid 385 and name O ) 2.1 0.3 0.4 
assign(resid 375 and name  N )(resid 385 and name O ) 3.1 0.5 0.4 

assign(resid 387 and name HN )(resid 373 and name O ) 2.1 0.3 0.4 
assign(resid 387 and name  N )(resid 373 and name O ) 3.1 0.5 0.4 

assign(resid 373 and name HN )(resid 387 and name O ) 2.1 0.3 0.4 
assign(resid 373 and name  N )(resid 387 and name O ) 3.1 0.5 0.4 

assign(resid 340 and name HN )(resid 336 and name O ) 2.1 0.3 0.4 
assign(resid 340 and name  N )(resid 336 and name O ) 3.1 0.5 0.4 

assign(resid 339 and name HN )(resid 335 and name O ) 2.1 0.3 0.4 
assign(resid 339 and name  N )(resid 335 and name O ) 3.1 0.5 0.4 

assign(resid 338 and name HN )(resid 334 and name O ) 2.1 0.3 0.4 
assign(resid 338 and name  N )(resid 334 and name O ) 3.1 0.5 0.4 

assign(resid 337 and name HN )(resid 333 and name O ) 2.1 0.3 0.4 
assign(resid 337 and name  N )(resid 333 and name O ) 3.1 0.5 0.4 

assign(resid 336 and name HN )(resid 332 and name O ) 2.1 0.3 0.4 
assign(resid 336 and name  N )(resid 332 and name O ) 3.1 0.5 0.4 

assign(resid 335 and name HN )(resid 331 and name O ) 2.1 0.3 0.4 
assign(resid 335 and name  N )(resid 331 and name O ) 3.1 0.5 0.4 

assign(resid 334 and name HN )(resid 330 and name O ) 2.1 0.3 0.4 
assign(resid 334 and name  N )(resid 330 and name O ) 3.1 0.5 0.4 

assign(resid 359 and name HN )(resid 355 and name O ) 2.1 0.3 0.4 
assign(resid 359 and name  N )(resid 355 and name O ) 3.1 0.5 0.4 

assign(resid 358 and name HN )(resid 354 and name O ) 2.1 0.3 0.4 
assign(resid 358 and name  N )(resid 354 and name O ) 3.1 0.5 0.4 

assign(resid 357 and name HN )(resid 353 and name O ) 2.1 0.3 0.4 
assign(resid 357 and name  N )(resid 353 and name O ) 3.1 0.5 0.4 

assign(resid 356 and name HN )(resid 352 and name O ) 2.1 0.3 0.4 
assign(resid 356 and name  N )(resid 352 and name O ) 3.1 0.5 0.4 

assign(resid 355 and name HN )(resid 351 and name O ) 2.1 0.3 0.4 
assign(resid 355 and name  N )(resid 351 and name O ) 3.1 0.5 0.4 

assign(resid 354 and name HN )(resid 350 and name O ) 2.1 0.3 0.4 
assign(resid 354 and name  N )(resid 350 and name O ) 3.1 0.5 0.4 

assign(resid 353 and name HN )(resid 349 and name O ) 2.1 0.3 0.4 
assign(resid 353 and name  N )(resid 349 and name O ) 3.1 0.5 0.4 

assign(resid 352 and name HN )(resid 348 and name O ) 2.1 0.3 0.4 
assign(resid 352 and name  N )(resid 348 and name O ) 3.1 0.5 0.4 

assign(resid 409 and name HN )(resid 405 and name O ) 2.1 0.3 0.4 
assign(resid 409 and name  N )(resid 405 and name O ) 3.1 0.5 0.4 

assign(resid 408 and name HN )(resid 404 and name O ) 2.1 0.3 0.4 
assign(resid 408 and name  N )(resid 404 and name O ) 3.1 0.5 0.4 

assign(resid 407 and name HN )(resid 403 and name O ) 2.1 0.3 0.4 
assign(resid 407 and name  N )(resid 403 and name O ) 3.1 0.5 0.4 

assign(resid 406 and name HN )(resid 402 and name O ) 2.1 0.3 0.4 
assign(resid 406 and name  N )(resid 402 and name O ) 3.1 0.5 0.4 

assign(resid 405 and name HN )(resid 401 and name O ) 2.1 0.3 0.4 
assign(resid 405 and name  N )(resid 401 and name O ) 3.1 0.5 0.4 

assign(resid 404 and name HN )(resid 400 and name O ) 2.1 0.3 0.4 
assign(resid 404 and name  N )(resid 400 and name O ) 3.1 0.5 0.4 

assign(resid 403 and name HN )(resid 399 and name O ) 2.1 0.3 0.4 
assign(resid 403 and name  N )(resid 399 and name O ) 3.1 0.5 0.4 

assign(resid 402 and name HN )(resid 398 and name O ) 2.1 0.3 0.4 
assign(resid 402 and name  N )(resid 398 and name O ) 3.1 0.5 0.4 

assign(resid 426 and name HN )(resid 422 and name O ) 2.1 0.3 0.4 
assign(resid 426 and name  N )(resid 422 and name O ) 3.1 0.5 0.4 

assign(resid 425 and name HN )(resid 421 and name O ) 2.1 0.3 0.4 
assign(resid 425 and name  N )(resid 421 and name O ) 3.1 0.5 0.4 

assign(resid 424 and name HN )(resid 420 and name O ) 2.1 0.3 0.4 
assign(resid 424 and name  N )(resid 420 and name O ) 3.1 0.5 0.4 

assign(resid 423 and name HN )(resid 419 and name O ) 2.1 0.3 0.4 
assign(resid 423 and name  N )(resid 419 and name O ) 3.1 0.5 0.4 

assign(resid 422 and name HN )(resid 418 and name O ) 2.1 0.3 0.4 
assign(resid 422 and name  N )(resid 418 and name O ) 3.1 0.5 0.4 

assign(resid 421 and name HN )(resid 417 and name O ) 2.1 0.3 0.4 
assign(resid 421 and name  N )(resid 417 and name O ) 3.1 0.5 0.4 

assign(resid 420 and name HN )(resid 416 and name O ) 2.1 0.3 0.4 
assign(resid 420 and name  N )(resid 416 and name O ) 3.1 0.5 0.4 

assign(resid 419 and name HN )(resid 415 and name O ) 2.1 0.3 0.4 
assign(resid 419 and name  N )(resid 415 and name O ) 3.1 0.5 0.4 

assign(resid 418 and name HN )(resid 414 and name O ) 2.1 0.3 0.4 
assign(resid 418 and name  N )(resid 414 and name O ) 3.1 0.5 0.4 



!!!!!!

assign(resid 333 and name HN )(resid 329 and name O ) 2.1 0.3 0.4 
assign(resid 333 and name  N )(resid 329 and name O ) 3.1 0.5 0.4 

assign(resid 361 and name HN )(resid 356 and name O ) 2.1 0.3 0.4 
assign(resid 361 and name  N )(resid 356 and name O ) 3.1 0.5 0.4 

assign(resid 401 and name HN )(resid 397 and name O ) 2.1 0.3 0.4 
assign(resid 401 and name  N )(resid 397 and name O ) 3.1 0.5 0.4 

assign(resid 410 and name HN )(resid 405 and name O ) 2.1 0.3 0.4 
assign(resid 410 and name  N )(resid 405 and name O ) 3.1 0.5 0.4 

assign(resid 417 and name HN )(resid 413 and name O ) 2.1 0.3 0.4 
assign(resid 417 and name  N )(resid 413 and name O ) 3.1 0.5 0.4 

assign(resid 428 and name HN )(resid 423 and name O ) 2.1 0.3 0.4 
assign(resid 428 and name  N )(resid 423 and name O ) 3.1 0.5 0.4 





! DIHEDRAL RESTRAINTS

! Talos

assign(resid  316 and name c )(resid  317 and name n  )
      (resid  317 and name ca)(resid  317 and name c  ) 1 -104.4   38.5  2

assign(resid  317 and name n )(resid  317 and name ca )
      (resid  317 and name c )(resid  318 and name n  ) 1  152.0   23.1  2


assign(resid  317 and name c )(resid  318 and name n  )
      (resid  318 and name ca)(resid  318 and name c  ) 1 -127.8   26.3  2

assign(resid  318 and name n )(resid  318 and name ca )
      (resid  318 and name c )(resid  319 and name n  ) 1  153.7   25.1  2


assign(resid  320 and name c )(resid  321 and name n  )
      (resid  321 and name ca)(resid  321 and name c  ) 1 -137.9   35.1  2

assign(resid  321 and name n )(resid  321 and name ca )
      (resid  321 and name c )(resid  322 and name n  ) 1  148.7   20.0  2


assign(resid  322 and name c )(resid  323 and name n  )
      (resid  323 and name ca)(resid  323 and name c  ) 1 -112.3   31.9  2

assign(resid  323 and name n )(resid  323 and name ca )
      (resid  323 and name c )(resid  324 and name n  ) 1  135.2   32.8  2


assign(resid  323 and name c )(resid  324 and name n  )
      (resid  324 and name ca)(resid  324 and name c  ) 1  -62.8   15.3  2

assign(resid  324 and name n )(resid  324 and name ca )
      (resid  324 and name c )(resid  325 and name n  ) 1  143.6   18.7  2


assign(resid  325 and name c )(resid  326 and name n  )
      (resid  326 and name ca)(resid  326 and name c  ) 1  -78.3   52.8  2

assign(resid  326 and name n )(resid  326 and name ca )
      (resid  326 and name c )(resid  327 and name n  ) 1  140.9   28.8  2


assign(resid  327 and name c )(resid  328 and name n  )
      (resid  328 and name ca)(resid  328 and name c  ) 1 -110.2   29.7  2

assign(resid  328 and name n )(resid  328 and name ca )
      (resid  328 and name c )(resid  329 and name n  ) 1  136.1   22.6  2


assign(resid  328 and name c )(resid  329 and name n  )
      (resid  329 and name ca)(resid  329 and name c  ) 1  -78.4   23.2  2

assign(resid  329 and name n )(resid  329 and name ca )
      (resid  329 and name c )(resid  330 and name n  ) 1  130.8   37.9  2


assign(resid  329 and name c )(resid  330 and name n  )
      (resid  330 and name ca)(resid  330 and name c  ) 1  -59.3   14.8  2

assign(resid  330 and name n )(resid  330 and name ca )
      (resid  330 and name c )(resid  331 and name n  ) 1  -38.0   17.6  2


assign(resid  330 and name c )(resid  331 and name n  )
      (resid  331 and name ca)(resid  331 and name c  ) 1  -61.2   18.1  2

assign(resid  331 and name n )(resid  331 and name ca )
      (resid  331 and name c )(resid  332 and name n  ) 1  -43.8   16.0  2


assign(resid  331 and name c )(resid  332 and name n  )
      (resid  332 and name ca)(resid  332 and name c  ) 1  -61.9   14.4  2

assign(resid  332 and name n )(resid  332 and name ca )
      (resid  332 and name c )(resid  333 and name n  ) 1  -41.8   16.4  2


assign(resid  332 and name c )(resid  333 and name n  )
      (resid  333 and name ca)(resid  333 and name c  ) 1  -63.5   15.6  2

assign(resid  333 and name n )(resid  333 and name ca )
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assign(resid  333 and name c )(resid  334 and name n  )
      (resid  334 and name ca)(resid  334 and name c  ) 1  -61.0   14.4  2

assign(resid  334 and name n )(resid  334 and name ca )
      (resid  334 and name c )(resid  335 and name n  ) 1  -44.2   16.4  2


assign(resid  334 and name c )(resid  335 and name n  )
      (resid  335 and name ca)(resid  335 and name c  ) 1  -59.7   12.6  2

assign(resid  335 and name n )(resid  335 and name ca )
      (resid  335 and name c )(resid  336 and name n  ) 1  -41.8   16.3  2


assign(resid  335 and name c )(resid  336 and name n  )
      (resid  336 and name ca)(resid  336 and name c  ) 1  -63.7   18.7  2

assign(resid  336 and name n )(resid  336 and name ca )
      (resid  336 and name c )(resid  337 and name n  ) 1  -41.1   18.1  2


assign(resid  336 and name c )(resid  337 and name n  )
      (resid  337 and name ca)(resid  337 and name c  ) 1  -63.9   14.7  2

assign(resid  337 and name n )(resid  337 and name ca )
      (resid  337 and name c )(resid  338 and name n  ) 1  -39.0   17.8  2


assign(resid  337 and name c )(resid  338 and name n  )
      (resid  338 and name ca)(resid  338 and name c  ) 1  -63.4   17.1  2

assign(resid  338 and name n )(resid  338 and name ca )
      (resid  338 and name c )(resid  339 and name n  ) 1  -37.4   17.8  2


assign(resid  338 and name c )(resid  339 and name n  )
      (resid  339 and name ca)(resid  339 and name c  ) 1  -64.6   15.0  2

assign(resid  339 and name n )(resid  339 and name ca )
      (resid  339 and name c )(resid  340 and name n  ) 1  -42.0   21.0  2


assign(resid  339 and name c )(resid  340 and name n  )
      (resid  340 and name ca)(resid  340 and name c  ) 1  -72.0   19.7  2

assign(resid  340 and name n )(resid  340 and name ca )
      (resid  340 and name c )(resid  341 and name n  ) 1  -21.5   28.9  2


assign(resid  343 and name c )(resid  344 and name n  )
      (resid  344 and name ca)(resid  344 and name c  ) 1  -75.6   27.3  2

assign(resid  344 and name n )(resid  344 and name ca )
      (resid  344 and name c )(resid  345 and name n  ) 1  134.6   31.6  2


assign(resid  345 and name c )(resid  346 and name n  )
      (resid  346 and name ca)(resid  346 and name c  ) 1 -105.9   44.2  2

assign(resid  346 and name n )(resid  346 and name ca )
      (resid  346 and name c )(resid  347 and name n  ) 1  159.7   28.1  2


assign(resid  346 and name c )(resid  347 and name n  )
      (resid  347 and name ca)(resid  347 and name c  ) 1  -55.9   14.4  2

assign(resid  347 and name n )(resid  347 and name ca )
      (resid  347 and name c )(resid  348 and name n  ) 1  -36.8   18.4  2


assign(resid  347 and name c )(resid  348 and name n  )
      (resid  348 and name ca)(resid  348 and name c  ) 1  -65.6   15.5  2

assign(resid  348 and name n )(resid  348 and name ca )
      (resid  348 and name c )(resid  349 and name n  ) 1  -38.0   20.2  2


assign(resid  348 and name c )(resid  349 and name n  )
      (resid  349 and name ca)(resid  349 and name c  ) 1  -67.8   17.3  2

assign(resid  349 and name n )(resid  349 and name ca )
      (resid  349 and name c )(resid  350 and name n  ) 1  -42.8   14.3  2


assign(resid  349 and name c )(resid  350 and name n  )
      (resid  350 and name ca)(resid  350 and name c  ) 1  -64.9   17.1  2

assign(resid  350 and name n )(resid  350 and name ca )
      (resid  350 and name c )(resid  351 and name n  ) 1  -39.4   20.9  2


assign(resid  350 and name c )(resid  351 and name n  )
      (resid  351 and name ca)(resid  351 and name c  ) 1  -67.1   14.8  2

assign(resid  351 and name n )(resid  351 and name ca )
      (resid  351 and name c )(resid  352 and name n  ) 1  -39.9   16.0  2


assign(resid  351 and name c )(resid  352 and name n  )
      (resid  352 and name ca)(resid  352 and name c  ) 1  -66.5   19.0  2

assign(resid  352 and name n )(resid  352 and name ca )
      (resid  352 and name c )(resid  353 and name n  ) 1  -42.9   16.7  2


assign(resid  352 and name c )(resid  353 and name n  )
      (resid  353 and name ca)(resid  353 and name c  ) 1  -59.9   14.8  2

assign(resid  353 and name n )(resid  353 and name ca )
      (resid  353 and name c )(resid  354 and name n  ) 1  -44.6   16.3  2


assign(resid  353 and name c )(resid  354 and name n  )
      (resid  354 and name ca)(resid  354 and name c  ) 1  -65.2   14.1  2

assign(resid  354 and name n )(resid  354 and name ca )
      (resid  354 and name c )(resid  355 and name n  ) 1  -43.0   12.8  2


assign(resid  354 and name c )(resid  355 and name n  )
      (resid  355 and name ca)(resid  355 and name c  ) 1  -62.6   15.7  2

assign(resid  355 and name n )(resid  355 and name ca )
      (resid  355 and name c )(resid  356 and name n  ) 1  -42.4   15.1  2


assign(resid  355 and name c )(resid  356 and name n  )
      (resid  356 and name ca)(resid  356 and name c  ) 1  -65.0   16.8  2

assign(resid  356 and name n )(resid  356 and name ca )
      (resid  356 and name c )(resid  357 and name n  ) 1  -42.4   16.7  2


assign(resid  356 and name c )(resid  357 and name n  )
      (resid  357 and name ca)(resid  357 and name c  ) 1  -64.2   17.5  2

assign(resid  357 and name n )(resid  357 and name ca )
      (resid  357 and name c )(resid  358 and name n  ) 1  -39.9   16.7  2


assign(resid  357 and name c )(resid  358 and name n  )
      (resid  358 and name ca)(resid  358 and name c  ) 1  -65.1   16.6  2

assign(resid  358 and name n )(resid  358 and name ca )
      (resid  358 and name c )(resid  359 and name n  ) 1  -37.3   15.2  2


assign(resid  358 and name c )(resid  359 and name n  )
      (resid  359 and name ca)(resid  359 and name c  ) 1  -67.5   21.0  2

assign(resid  359 and name n )(resid  359 and name ca )
      (resid  359 and name c )(resid  360 and name n  ) 1  -28.2   17.8  2


assign(resid  359 and name c )(resid  360 and name n  )
      (resid  360 and name ca)(resid  360 and name c  ) 1  -105.7   27.1  2

assign(resid  360 and name n )(resid  360 and name ca )
      (resid  360 and name c )(resid  361 and name n  ) 1  -33.6   34.0  2


assign(resid  361 and name c )(resid  362 and name n  )
      (resid  362 and name ca)(resid  362 and name c  ) 1  -75.6   16.4  2

assign(resid  362 and name n )(resid  362 and name ca )
      (resid  362 and name c )(resid  363 and name n  ) 1  134.9   44.4  2



assign(resid  366 and name c )(resid  367 and name n  )
      (resid  367 and name ca)(resid  367 and name c  ) 1  -59.1   15.6  2

assign(resid  367 and name n )(resid  367 and name ca )
      (resid  367 and name c )(resid  368 and name n  ) 1  -33.7   18.0  2


assign(resid  367 and name c )(resid  368 and name n  )
      (resid  368 and name ca)(resid  368 and name c  ) 1  -67.8   16.5  2

assign(resid  368 and name n )(resid  368 and name ca )
      (resid  368 and name c )(resid  369 and name n  ) 1  -34.1   20.2  2


assign(resid  368 and name c )(resid  369 and name n  )
      (resid  369 and name ca)(resid  369 and name c  ) 1  -71.2   20.0  2

assign(resid  369 and name n )(resid  369 and name ca )
      (resid  369 and name c )(resid  370 and name n  ) 1  -25.0   26.6  2


assign(resid  370 and name c )(resid  371 and name n  )
      (resid  371 and name ca)(resid  371 and name c  ) 1   62.9   29.3  2

assign(resid  371 and name n )(resid  371 and name ca )
      (resid  371 and name c )(resid  372 and name n  ) 1   41.3   18.8  2


assign(resid  371 and name c )(resid  372 and name n  )
      (resid  372 and name ca)(resid  372 and name c  ) 1 -117.9   35.9  2

assign(resid  372 and name n )(resid  372 and name ca )
      (resid  372 and name c )(resid  373 and name n  ) 1  146.0   28.5  2


assign(resid  372 and name c )(resid  373 and name n  )
      (resid  373 and name ca)(resid  373 and name c  ) 1 -124.6   42.3  2

assign(resid  373 and name n )(resid  373 and name ca )
      (resid  373 and name c )(resid  374 and name n  ) 1  139.3   27.0  2


assign(resid  373 and name c )(resid  374 and name n  )
      (resid  374 and name ca)(resid  374 and name c  ) 1  -93.3   28.4  2

assign(resid  374 and name n )(resid  374 and name ca )
      (resid  374 and name c )(resid  375 and name n  ) 1  127.2   21.8  2


assign(resid  374 and name c )(resid  375 and name n  )
      (resid  375 and name ca)(resid  375 and name c  ) 1 -100.4   29.4  2

assign(resid  375 and name n )(resid  375 and name ca )
      (resid  375 and name c )(resid  376 and name n  ) 1  132.1   30.6  2


assign(resid  375 and name c )(resid  376 and name n  )
      (resid  376 and name ca)(resid  376 and name c  ) 1  -63.4   17.2  2

assign(resid  376 and name n )(resid  376 and name ca )
      (resid  376 and name c )(resid  377 and name n  ) 1  144.4   19.9  2


assign(resid  377 and name c )(resid  378 and name n  )
      (resid  378 and name ca)(resid  378 and name c  ) 1 -119.7   36.5  2

assign(resid  378 and name n )(resid  378 and name ca )
      (resid  378 and name c )(resid  379 and name n  ) 1  166.9   23.3  2


assign(resid  379 and name c )(resid  380 and name n  )
      (resid  380 and name ca)(resid  380 and name c  ) 1  -73.2   23.5  2

assign(resid  380 and name n )(resid  380 and name ca )
      (resid  380 and name c )(resid  381 and name n  ) 1  -30.1   17.5  2


assign(resid  382 and name c )(resid  383 and name n  )
      (resid  383 and name ca)(resid  383 and name c  ) 1 -132.8   32.2  2

assign(resid  383 and name n )(resid  383 and name ca )
      (resid  383 and name c )(resid  384 and name n  ) 1  158.7   23.7  2


assign(resid  383 and name c )(resid  384 and name n  )
      (resid  384 and name ca)(resid  384 and name c  ) 1 -130.2   36.5  2

assign(resid  384 and name n )(resid  384 and name ca )
      (resid  384 and name c )(resid  385 and name n  ) 1  137.5   26.6  2


assign(resid  385 and name c )(resid  386 and name n  )
      (resid  386 and name ca)(resid  386 and name c  ) 1 -133.1   25.8  2

assign(resid  386 and name n )(resid  386 and name ca )
      (resid  386 and name c )(resid  387 and name n  ) 1  139.3   21.9  2


assign(resid  386 and name c )(resid  387 and name n  )
      (resid  387 and name ca)(resid  387 and name c  ) 1 -107.3   19.7  2

assign(resid  387 and name n )(resid  387 and name ca )
      (resid  387 and name c )(resid  388 and name n  ) 1  130.5   18.9  2


assign(resid  387 and name c )(resid  388 and name n  )
      (resid  388 and name ca)(resid  388 and name c  ) 1 -127.6   28.2  2

assign(resid  388 and name n )(resid  388 and name ca )
      (resid  388 and name c )(resid  389 and name n  ) 1  126.9   25.2  2


assign(resid  392 and name c )(resid  393 and name n  )
      (resid  393 and name ca)(resid  393 and name c  ) 1 -109.9   22.5  2

assign(resid  393 and name n )(resid  393 and name ca )
      (resid  393 and name c )(resid  394 and name n  ) 1  128.1   16.9  2


assign(resid  393 and name c )(resid  394 and name n  )
      (resid  394 and name ca)(resid  394 and name c  ) 1 -126.4   29.3  2

assign(resid  394 and name n )(resid  394 and name ca )
      (resid  394 and name c )(resid  395 and name n  ) 1  156.8   21.6  2


assign(resid  394 and name c )(resid  395 and name n  )
      (resid  395 and name ca)(resid  395 and name c  ) 1 -127.6   20.2  2

assign(resid  395 and name n )(resid  395 and name ca )
      (resid  395 and name c )(resid  396 and name n  ) 1  141.3   21.5  2


assign(resid  395 and name c )(resid  396 and name n  )
      (resid  396 and name ca)(resid  396 and name c  ) 1 -135.2   38.7  2

assign(resid  396 and name n )(resid  396 and name ca )
      (resid  396 and name c )(resid  397 and name n  ) 1  142.3   29.7  2


assign(resid  397 and name c )(resid  398 and name n  )
      (resid  398 and name ca)(resid  398 and name c  ) 1  -61.4   19.1  2

assign(resid  398 and name n )(resid  398 and name ca )
      (resid  398 and name c )(resid  399 and name n  ) 1  -41.3   16.7  2


assign(resid  398 and name c )(resid  399 and name n  )
      (resid  399 and name ca)(resid  399 and name c  ) 1  -59.9   15.2  2

assign(resid  399 and name n )(resid  399 and name ca )
      (resid  399 and name c )(resid  400 and name n  ) 1  -39.6   15.7  2


assign(resid  399 and name c )(resid  400 and name n  )
      (resid  400 and name ca)(resid  400 and name c  ) 1  -63.2   15.8  2

assign(resid  400 and name n )(resid  400 and name ca )
      (resid  400 and name c )(resid  401 and name n  ) 1  -44.4   14.0  2


assign(resid  400 and name c )(resid  401 and name n  )
      (resid  401 and name ca)(resid  401 and name c  ) 1  -68.2   16.2  2

assign(resid  401 and name n )(resid  401 and name ca )
      (resid  401 and name c )(resid  402 and name n  ) 1  -39.0   15.4  2


assign(resid  401 and name c )(resid  402 and name n  )
      (resid  402 and name ca)(resid  402 and name c  ) 1  -61.7   14.1  2

assign(resid  402 and name n )(resid  402 and name ca )
      (resid  402 and name c )(resid  403 and name n  ) 1  -42.8   14.5  2


assign(resid  402 and name c )(resid  403 and name n  )
      (resid  403 and name ca)(resid  403 and name c  ) 1  -63.8   12.2  2

assign(resid  403 and name n )(resid  403 and name ca )
      (resid  403 and name c )(resid  404 and name n  ) 1  -38.8   14.6  2


assign(resid  403 and name c )(resid  404 and name n  )
      (resid  404 and name ca)(resid  404 and name c  ) 1  -64.2   16.0  2

assign(resid  404 and name n )(resid  404 and name ca )
      (resid  404 and name c )(resid  405 and name n  ) 1  -45.8   17.9  2


assign(resid  404 and name c )(resid  405 and name n  )
      (resid  405 and name ca)(resid  405 and name c  ) 1  -64.2   15.2  2

assign(resid  405 and name n )(resid  405 and name ca )
      (resid  405 and name c )(resid  406 and name n  ) 1  -42.8   18.1  2


assign(resid  405 and name c )(resid  406 and name n  )
      (resid  406 and name ca)(resid  406 and name c  ) 1  -63.7   15.8  2

assign(resid  406 and name n )(resid  406 and name ca )
      (resid  406 and name c )(resid  407 and name n  ) 1  -39.1   17.6  2


assign(resid  406 and name c )(resid  407 and name n  )
      (resid  407 and name ca)(resid  407 and name c  ) 1  -63.6   15.8  2

assign(resid  407 and name n )(resid  407 and name ca )
      (resid  407 and name c )(resid  408 and name n  ) 1  -27.3   19.2  2


assign(resid  410 and name c )(resid  411 and name n  )
      (resid  411 and name ca)(resid  411 and name c  ) 1 -113.7   40.3  2

assign(resid  411 and name n )(resid  411 and name ca )
      (resid  411 and name c )(resid  412 and name n  ) 1  125.8   25.8  2


assign(resid  411 and name c )(resid  412 and name n  )
      (resid  412 and name ca)(resid  412 and name c  ) 1  -98.3   37.5  2

assign(resid  412 and name n )(resid  412 and name ca )
      (resid  412 and name c )(resid  413 and name n  ) 1  130.7   24.6  2


assign(resid  412 and name c )(resid  413 and name n  )
      (resid  413 and name ca)(resid  413 and name c  ) 1  -61.3   16.2  2

assign(resid  413 and name n )(resid  413 and name ca )
      (resid  413 and name c )(resid  414 and name n  ) 1  141.2   20.0  2


assign(resid  414 and name c )(resid  415 and name n  )
      (resid  415 and name ca)(resid  415 and name c  ) 1  -63.1   14.8  2

assign(resid  415 and name n )(resid  415 and name ca )
      (resid  415 and name c )(resid  416 and name n  ) 1  -39.0   14.5  2


assign(resid  415 and name c )(resid  416 and name n  )
      (resid  416 and name ca)(resid  416 and name c  ) 1  -66.7   16.5  2

assign(resid  416 and name n )(resid  416 and name ca )
      (resid  416 and name c )(resid  417 and name n  ) 1  -42.2   15.7  2


assign(resid  416 and name c )(resid  417 and name n  )
      (resid  417 and name ca)(resid  417 and name c  ) 1  -61.1   14.6  2

assign(resid  417 and name n )(resid  417 and name ca )
      (resid  417 and name c )(resid  418 and name n  ) 1  -38.8   14.7  2


assign(resid  417 and name c )(resid  418 and name n  )
      (resid  418 and name ca)(resid  418 and name c  ) 1  -69.3   15.8  2

assign(resid  418 and name n )(resid  418 and name ca )
      (resid  418 and name c )(resid  419 and name n  ) 1  -40.0   18.8  2


assign(resid  418 and name c )(resid  419 and name n  )
      (resid  419 and name ca)(resid  419 and name c  ) 1  -67.8   15.8  2

assign(resid  419 and name n )(resid  419 and name ca )
      (resid  419 and name c )(resid  420 and name n  ) 1  -39.8   16.7  2


assign(resid  419 and name c )(resid  420 and name n  )
      (resid  420 and name ca)(resid  420 and name c  ) 1  -64.2   14.6  2

assign(resid  420 and name n )(resid  420 and name ca )
      (resid  420 and name c )(resid  421 and name n  ) 1  -44.7   15.3  2


assign(resid  420 and name c )(resid  421 and name n  )
      (resid  421 and name ca)(resid  421 and name c  ) 1  -59.5   15.9  2

assign(resid  421 and name n )(resid  421 and name ca )
      (resid  421 and name c )(resid  422 and name n  ) 1  -38.5   16.4  2


assign(resid  421 and name c )(resid  422 and name n  )
      (resid  422 and name ca)(resid  422 and name c  ) 1  -68.0   16.8  2

assign(resid  422 and name n )(resid  422 and name ca )
      (resid  422 and name c )(resid  423 and name n  ) 1  -38.9   18.3  2


assign(resid  422 and name c )(resid  423 and name n  )
      (resid  423 and name ca)(resid  423 and name c  ) 1  -64.1   15.5  2

assign(resid  423 and name n )(resid  423 and name ca )
      (resid  423 and name c )(resid  424 and name n  ) 1  -38.6   16.9  2


assign(resid  424 and name c )(resid  425 and name n  )
      (resid  425 and name ca)(resid  425 and name c  ) 1  -63.7   17.5  2

assign(resid  425 and name n )(resid  425 and name ca )
      (resid  425 and name c )(resid  426 and name n  ) 1  -30.6   27.5  2


assign(resid  426 and name c )(resid  427 and name n  )
      (resid  427 and name ca)(resid  427 and name c  ) 1   83.7   18.9  2

assign(resid  427 and name n )(resid  427 and name ca )
      (resid  427 and name c )(resid  428 and name n  ) 1   -0.1   21.8  2


assign(resid  427 and name c )(resid  428 and name n  )
      (resid  428 and name ca)(resid  428 and name c  ) 1 -117.9   34.4  2

assign(resid  428 and name n )(resid  428 and name ca )
      (resid  428 and name c )(resid  429 and name n  ) 1  149.7   26.1  2


assign(resid  428 and name c )(resid  429 and name n  )
      (resid  429 and name ca)(resid  429 and name c  ) 1 -117.1   23.0  2

assign(resid  429 and name n )(resid  429 and name ca )
      (resid  429 and name c )(resid  430 and name n  ) 1  131.4   23.4  2


assign(resid  429 and name c )(resid  430 and name n  )
      (resid  430 and name ca)(resid  430 and name c  ) 1 -101.3   27.2  2

assign(resid  430 and name n )(resid  430 and name ca )
      (resid  430 and name c )(resid  431 and name n  ) 1  132.1   25.8  2


assign(resid  430 and name c )(resid  431 and name n  )
      (resid  431 and name ca)(resid  431 and name c  ) 1 -107.3   32.1  2

assign(resid  431 and name n )(resid  431 and name ca )
      (resid  431 and name c )(resid  432 and name n  ) 1  135.6   25.2  2


assign(resid  431 and name c )(resid  432 and name n  )
      (resid  432 and name ca)(resid  432 and name c  ) 1 -115.6   19.6  2

assign(resid  432 and name n )(resid  432 and name ca )
      (resid  432 and name c )(resid  433 and name n  ) 1  128.5   16.3  2


assign(resid  432 and name c )(resid  433 and name n  )
      (resid  433 and name ca)(resid  433 and name c  ) 1 -122.0   18.8  2

assign(resid  433 and name n )(resid  433 and name ca )
      (resid  433 and name c )(resid  434 and name n  ) 1  132.2   23.1  2


assign(resid  433 and name c )(resid  434 and name n  )
      (resid  434 and name ca)(resid  434 and name c  ) 1 -131.6   26.3  2

assign(resid  434 and name n )(resid  434 and name ca )
      (resid  434 and name c )(resid  435 and name n  ) 1  142.8   22.8  2


assign(resid  434 and name c )(resid  435 and name n  )
      (resid  435 and name ca)(resid  435 and name c  ) 1 -107.6   36.3  2

assign(resid  435 and name n )(resid  435 and name ca )
      (resid  435 and name c )(resid  436 and name n  ) 1  123.5   21.5  2

assign(resid  435 and name c )(resid  436 and name n  )
      (resid  436 and name ca)(resid  436 and name c  ) 1   66.7   14.6  2

assign(resid  436 and name n )(resid  436 and name ca )
      (resid  436 and name c )(resid  437 and name n  ) 1 -121.5   19.9  2

assign(resid  436 and name c )(resid  437 and name n  )
      (resid  437 and name ca)(resid  437 and name c  ) 1 -100.3   16.3  2

assign(resid  437 and name n )(resid  437 and name ca )
      (resid  437 and name c )(resid  438 and name n  ) 1    2.1   20.1  2


assign(resid  438 and name c )(resid  439 and name n  )
      (resid  439 and name ca)(resid  439 and name c  ) 1  -79.5   18.0  2

assign(resid  439 and name n )(resid  439 and name ca )
      (resid  439 and name c )(resid  440 and name n  ) 1  120.9   22.9  2


assign(resid  441 and name c )(resid  442 and name n  )
      (resid  442 and name ca)(resid  442 and name c  ) 1 -130.0   21.5  2

assign(resid  442 and name n )(resid  442 and name ca )
      (resid  442 and name c )(resid  443 and name n  ) 1  145.5   28.7  2


assign(resid  442 and name c )(resid  443 and name n  )
      (resid  443 and name ca)(resid  443 and name c  ) 1 -124.9   21.9  2

assign(resid  443 and name n )(resid  443 and name ca )
      (resid  443 and name c )(resid  444 and name n  ) 1  134.6   29.5  2


assign(resid  443 and name c )(resid  444 and name n  )
      (resid  444 and name ca)(resid  444 and name c  ) 1 -105.2   30.3  2

assign(resid  444 and name n )(resid  444 and name ca )
      (resid  444 and name c )(resid  445 and name n  ) 1  125.6   25.7  2


assign(resid  444 and name c )(resid  445 and name n  )
      (resid  445 and name ca)(resid  445 and name c  ) 1 -101.5   24.3  2

assign(resid  445 and name n )(resid  445 and name ca )
      (resid  445 and name c )(resid  446 and name n  ) 1  127.3   20.2  2


assign(resid  445 and name c )(resid  446 and name n  )
      (resid  446 and name ca)(resid  446 and name c  ) 1 -137.2   31.1  2

assign(resid  446 and name n )(resid  446 and name ca )
      (resid  446 and name c )(resid  447 and name n  ) 1  145.4   31.1  2


assign(resid  446 and name c )(resid  447 and name n  )
      (resid  447 and name ca)(resid  447 and name c  ) 1  -85.3   24.7  2

assign(resid  447 and name n )(resid  447 and name ca )
      (resid  447 and name c )(resid  448 and name n  ) 1  131.0   18.7  2


assign(resid  447 and name c )(resid  448 and name n  )
      (resid  448 and name ca)(resid  448 and name c  ) 1  -120   50  2


assign(resid  448 and name c )(resid  449 and name n  )
      (resid  449 and name ca)(resid  449 and name c  ) 1  -120   50  2


assign(resid  449 and name c )(resid  450 and name n  )
      (resid  450 and name ca)(resid  450 and name c  ) 1  -120   50  2


! sidechain

assign (resid 320 and name N ) (resid 320 and name CA)
       (resid 320 and name CB) (resid 320 and name OG)  10 -60 30 2

assign (resid 322 and name N ) (resid 322 and name CA)
       (resid 322 and name CB) (resid 322 and name CG)  10  60 30 2

assign (resid 323 and name N ) (resid 323 and name CA)
       (resid 323 and name CB) (resid 323 and name CG1) 10 -60 30 2

assign (resid 324 and name N ) (resid 324 and name CA)
       (resid 324 and name CB) (resid 324 and name CG)  10 -30 30 2

assign (resid 332 and name N ) (resid 332 and name CA)
       (resid 332 and name CB) (resid 332 and name OG1) 10 -60 30 2

assign (resid 333 and name N ) (resid 333 and name CA)
       (resid 333 and name CB) (resid 333 and name CG)  10 180 30 2

assign (resid 338 and name N ) (resid 338 and name CA)
       (resid 338 and name CB) (resid 338 and name CG)  10 -60 30 2

assign (resid 339 and name N ) (resid 339 and name CA)
       (resid 339 and name CB) (resid 339 and name CG)  10  60 30 2

assign (resid 341 and name N ) (resid 341 and name CA)
       (resid 341 and name CB) (resid 341 and name OG)  10  60 30 2

assign (resid 342 and name N ) (resid 342 and name CA)
       (resid 342 and name CB) (resid 342 and name CG)  10 -60 30 2

assign (resid 344 and name N ) (resid 344 and name CA)
       (resid 344 and name CB) (resid 344 and name CG)  10  60 30 2

assign (resid 345 and name N ) (resid 345 and name CA)
       (resid 345 and name CB) (resid 345 and name CG)  10 -60 30 2

assign (resid 346 and name N ) (resid 346 and name CA)
       (resid 346 and name CB) (resid 346 and name OG1) 10  60 30 2

assign (resid 348 and name N ) (resid 348 and name CA)
       (resid 348 and name CB) (resid 348 and name CG)  10 -60 30 2

assign (resid 352 and name N ) (resid 352 and name CA)
       (resid 352 and name CB) (resid 352 and name CG1) 10 -60 30 2

assign (resid 355 and name N ) (resid 355 and name CA)
       (resid 355 and name CB) (resid 355 and name CG)  10 180 30 2

assign (resid 358 and name N ) (resid 358 and name CA)
       (resid 358 and name CB) (resid 358 and name CG)  10  60 30 2

assign (resid 359 and name N ) (resid 359 and name CA)
       (resid 359 and name CB) (resid 359 and name CG)  10 -60 30 2

assign (resid 360 and name N ) (resid 360 and name CA)
       (resid 360 and name CB) (resid 360 and name CG)  10 -60 30 2

assign (resid 370 and name N ) (resid 370 and name CA)
       (resid 370 and name CB) (resid 370 and name CG)  10 -60 30 2

assign (resid 373 and name N ) (resid 373 and name CA)
       (resid 373 and name CB) (resid 373 and name OG1) 10 -60 30 2

assign (resid 374 and name N ) (resid 374 and name CA)
       (resid 374 and name CB) (resid 374 and name CG)  10 -60 30 2

assign (resid 376 and name N ) (resid 376 and name CA)
       (resid 376 and name CB) (resid 376 and name CG)  10  30 30 2

assign (resid 378 and name N ) (resid 378 and name CA)
       (resid 378 and name CB) (resid 378 and name OG1) 10  60 30 2

assign (resid 384 and name N ) (resid 384 and name CA)
       (resid 384 and name CB) (resid 384 and name OG)  10  60 30 2

assign (resid 386 and name N ) (resid 386 and name CA)
       (resid 386 and name CB) (resid 386 and name CG1) 10 180 30 2

assign (resid 388 and name N ) (resid 388 and name CA)
       (resid 388 and name CB) (resid 388 and name CG1) 10 180 30 2

assign (resid 389 and name N ) (resid 389 and name CA)
       (resid 389 and name CB) (resid 389 and name CG)  10 -60 30 2

assign (resid 390 and name N ) (resid 390 and name CA)
       (resid 390 and name CB) (resid 390 and name CG)  10 180 30 2

assign (resid 391 and name N ) (resid 391 and name CA)
       (resid 391 and name CB) (resid 391 and name CG)  10 -60 30 2

assign (resid 392 and name N ) (resid 392 and name CA)
       (resid 392 and name CB) (resid 392 and name CG)  10 -60 30 2

assign (resid 393 and name N ) (resid 393 and name CA)
       (resid 393 and name CB) (resid 393 and name CG1) 10 -60 30 2

assign (resid 395 and name N ) (resid 395 and name CA)
       (resid 395 and name CB) (resid 395 and name CG)  10  60 30 2

assign (resid 401 and name N ) (resid 401 and name CA)
       (resid 401 and name CB) (resid 401 and name CG1) 10 -60 30 2

assign (resid 402 and name N ) (resid 402 and name CA)
       (resid 402 and name CB) (resid 402 and name CG)  10 180 30 2

assign (resid 404 and name N ) (resid 404 and name CA)
       (resid 404 and name CB) (resid 404 and name CG)  10 180 30 2

assign (resid 408 and name N ) (resid 408 and name CA)
       (resid 408 and name CB) (resid 408 and name CG)  10 -60 30 2

assign (resid 413 and name N ) (resid 413 and name CA)
       (resid 413 and name CB) (resid 413 and name CG)  10 -30 30 2

assign (resid 414 and name N ) (resid 414 and name CA)
       (resid 414 and name CB) (resid 414 and name OG1) 10 180 30 2

assign (resid 429 and name N ) (resid 429 and name CA)
       (resid 429 and name CB) (resid 429 and name OG1) 10 -60 30 2

assign (resid 437 and name N ) (resid 437 and name CA)
       (resid 437 and name CB) (resid 437 and name OG)  10  60 30 2

assign (resid 438 and name N ) (resid 438 and name CA)
       (resid 438 and name CB) (resid 438 and name CG)  10  60 30 2

assign (resid 440 and name N ) (resid 440 and name CA)
       (resid 440 and name CB) (resid 440 and name CG)  10  60 30 2

!assign (resid 443 and name N ) (resid 443 and name CA)
!       (resid 443 and name CB) (resid 443 and name CG1) 10 180 30 2

assign (resid 445 and name N ) (resid 445 and name CA)
       (resid 445 and name CB) (resid 445 and name CG)  10 -60 30 2




assign (resid 328 and name N ) (resid 328 and name CA)
       (resid 328 and name CB) (resid 328 and name CG1) 10 -180 30 2

assign (resid 353 and name N ) (resid 353 and name CA)
       (resid 353 and name CB) (resid 353 and name CG1) 10 -180 30 2

assign (resid 367 and name N ) (resid 367 and name CA)
       (resid 367 and name CB) (resid 367 and name CG1) 10 -180 30 2

assign (resid 375 and name N ) (resid 375 and name CA)
       (resid 375 and name CB) (resid 375 and name CG1) 10 -180 30 2

assign (resid 398 and name N ) (resid 398 and name CA)
       (resid 398 and name CB) (resid 398 and name CG1) 10 -180 30 2

assign (resid 405 and name N ) (resid 405 and name CA)
       (resid 405 and name CB) (resid 405 and name CG1) 10 -180 30 2

assign (resid 416 and name N ) (resid 416 and name CA)
       (resid 416 and name CB) (resid 416 and name CG1) 10 -180 30 2

assign (resid 420 and name N ) (resid 420 and name CA)
       (resid 420 and name CB) (resid 420 and name CG1) 10 -180 30 2

assign (resid 423 and name N ) (resid 423 and name CA)
       (resid 423 and name CB) (resid 423 and name CG1) 10 -180 30 2

assign (resid 432 and name N ) (resid 432 and name CA)
       (resid 432 and name CB) (resid 432 and name CG1) 10 -180 30 2

assign (resid 433 and name N ) (resid 433 and name CA)
       (resid 433 and name CB) (resid 433 and name CG1) 10 -180 30 2

assign (resid 439 and name N ) (resid 439 and name CA)
       (resid 439 and name CB) (resid 439 and name CG1) 10 -180 30 2

assign (resid 433 and name N ) (resid 433 and name CA)
       (resid 433 and name CB) (resid 433 and name CG1) 10 -180 30 2

assign (resid 442 and name N ) (resid 442 and name CA)
       (resid 442 and name CB) (resid 442 and name CG1) 10 -180 30 2

assign (resid 449 and name N ) (resid 449 and name CA)
       (resid 449 and name CB) (resid 449 and name CG1) 10 -180 30 2


! J-COUPLINGS

assign(resid 320  and name hn )(resid 320 and name n ) 
      (resid 320  and name ca )(resid 320 and name ha) 11.54 1.0
assign(resid 322  and name hn )(resid 322 and name n ) 
      (resid 322  and name ca )(resid 322 and name ha) 10.11 1.0
assign(resid 323  and name hn )(resid 323 and name n ) 
      (resid 323  and name ca )(resid 323 and name ha) 9.58 1.0
assign(resid 326  and name hn )(resid 326 and name n ) 
      (resid 326  and name ca )(resid 326 and name ha) 2.78 1.0
assign(resid 328  and name hn )(resid 328 and name n ) 
      (resid 328  and name ca )(resid 328 and name ha) 9.23 1.0
assign(resid 330  and name hn )(resid 330 and name n ) 
      (resid 330  and name ca )(resid 330 and name ha) 2.84 1.0
assign(resid 331  and name hn )(resid 331 and name n ) 
      (resid 331  and name ca )(resid 331 and name ha) 3.62 1.0
assign(resid 334  and name hn )(resid 334 and name n ) 
      (resid 334  and name ca )(resid 334 and name ha) 3.79 1.0
assign(resid 335  and name hn )(resid 335 and name n ) 
      (resid 335  and name ca )(resid 335 and name ha) 3.70 1.0
assign(resid 336  and name hn )(resid 336 and name n ) 
      (resid 336  and name ca )(resid 336 and name ha) 4.62 1.0
assign(resid 337  and name hn )(resid 337 and name n ) 
      (resid 337  and name ca )(resid 337 and name ha) 3.87 1.0
assign(resid 338  and name hn )(resid 338 and name n ) 
      (resid 338  and name ca )(resid 338 and name ha) 4.70 1.0
assign(resid 340  and name hn )(resid 340 and name n ) 
      (resid 340  and name ca )(resid 340 and name ha) 4.30 1.0
assign(resid 341  and name hn )(resid 341 and name n ) 
      (resid 341  and name ca )(resid 341 and name ha) 9.92 1.0
assign(resid 342  and name hn )(resid 342 and name n ) 
      (resid 342  and name ca )(resid 342 and name ha) 2.75 1.0
assign(resid 343  and name hn )(resid 343 and name n ) 
      (resid 343  and name ca )(resid 343 and name ha) 8.02 1.0
assign(resid 345  and name hn )(resid 345 and name n ) 
      (resid 345  and name ca )(resid 345 and name ha) 9.09 1.0
assign(resid 348  and name hn )(resid 348 and name n ) 
      (resid 348  and name ca )(resid 348 and name ha) 3.64 1.0
assign(resid 350  and name hn )(resid 350 and name n ) 
      (resid 350  and name ca )(resid 350 and name ha) 8.22 1.0
assign(resid 354  and name hn )(resid 354 and name n ) 
      (resid 354  and name ca )(resid 354 and name ha) 8.13 1.0
assign(resid 356  and name hn )(resid 356 and name n ) 
      (resid 356  and name ca )(resid 356 and name ha) 4.40 1.0
assign(resid 358  and name hn )(resid 358 and name n ) 
      (resid 358  and name ca )(resid 358 and name ha) 3.58 1.0
assign(resid 361  and name hn )(resid 361 and name n ) 
      (resid 361  and name ca )(resid 361 and name ha) 8.19 1.0
assign(resid 365  and name hn )(resid 365 and name n ) 
      (resid 365  and name ca )(resid 365 and name ha) 9.44 1.0
assign(resid 367  and name hn )(resid 367 and name n ) 
      (resid 367  and name ca )(resid 367 and name ha) 4.60 1.0
assign(resid 369  and name hn )(resid 369 and name n ) 
      (resid 369  and name ca )(resid 369 and name ha) 8.35 1.0
assign(resid 372  and name hn )(resid 372 and name n ) 
      (resid 372  and name ca )(resid 372 and name ha) 8.58 1.0
assign(resid 373  and name hn )(resid 373 and name n ) 
      (resid 373  and name ca )(resid 373 and name ha) 10.55 1.0
assign(resid 374  and name hn )(resid 374 and name n ) 
      (resid 374  and name ca )(resid 374 and name ha) 8.30 1.0
assign(resid 381  and name hn )(resid 381 and name n ) 
      (resid 381  and name ca )(resid 381 and name ha) 8.95 1.0
assign(resid 384  and name hn )(resid 384 and name n ) 
      (resid 384  and name ca )(resid 384 and name ha) 8.21 1.0
assign(resid 387  and name hn )(resid 387 and name n ) 
      (resid 387  and name ca )(resid 387 and name ha) 10.75 1.0
assign(resid 388  and name hn )(resid 388 and name n ) 
      (resid 388  and name ca )(resid 388 and name ha) 8.27 1.0
assign(resid 391  and name hn )(resid 391 and name n ) 
      (resid 391  and name ca )(resid 391 and name ha) 9.47 1.0
assign(resid 392  and name hn )(resid 392 and name n ) 
      (resid 392  and name ca )(resid 392 and name ha) 9.28 1.0
assign(resid 393  and name hn )(resid 393 and name n ) 
      (resid 393  and name ca )(resid 393 and name ha) 9.51 1.0
assign(resid 394  and name hn )(resid 394 and name n ) 
      (resid 394  and name ca )(resid 394 and name ha) 8.61 1.0
assign(resid 395  and name hn )(resid 395 and name n ) 
      (resid 395  and name ca )(resid 395 and name ha) 9.14 1.0
assign(resid 397  and name hn )(resid 397 and name n ) 
      (resid 397  and name ca )(resid 397 and name ha) 4.95 1.0
assign(resid 398  and name hn )(resid 398 and name n ) 
      (resid 398  and name ca )(resid 398 and name ha) 2.60 1.0
assign(resid 399  and name hn )(resid 399 and name n ) 
      (resid 399  and name ca )(resid 399 and name ha) 4.06 1.0
assign(resid 402  and name hn )(resid 402 and name n ) 
      (resid 402  and name ca )(resid 402 and name ha) 3.29 1.0
assign(resid 403  and name hn )(resid 403 and name n ) 
      (resid 403  and name ca )(resid 403 and name ha) 4.56 1.0
assign(resid 404  and name hn )(resid 404 and name n ) 
      (resid 404  and name ca )(resid 404 and name ha) 4.89 1.0
assign(resid 405  and name hn )(resid 405 and name n ) 
      (resid 405  and name ca )(resid 405 and name ha) 4.84 1.0
!assign(resid 408  and name hn )(resid 408 and name n ) 
!      (resid 408  and name ca )(resid 408 and name ha) 10.68 1.0
assign(resid 411  and name hn )(resid 411 and name n ) 
      (resid 411  and name ca )(resid 411 and name ha) 9.49 1.0
assign(resid 414  and name hn )(resid 414 and name n ) 
      (resid 414  and name ca )(resid 414 and name ha) 2.63 1.0
assign(resid 417  and name hn )(resid 417 and name n ) 
      (resid 417  and name ca )(resid 417 and name ha) 4.59 1.0
assign(resid 418  and name hn )(resid 418 and name n ) 
      (resid 418  and name ca )(resid 418 and name ha) 4.97 1.0
assign(resid 420  and name hn )(resid 420 and name n ) 
      (resid 420  and name ca )(resid 420 and name ha) 4.50 1.0
assign(resid 421  and name hn )(resid 421 and name n ) 
      (resid 421  and name ca )(resid 421 and name ha) 4.58 1.0
assign(resid 422  and name hn )(resid 422 and name n ) 
      (resid 422  and name ca )(resid 422 and name ha) 4.85 1.0
assign(resid 423  and name hn )(resid 423 and name n ) 
      (resid 423  and name ca )(resid 423 and name ha) 4.86 1.0
assign(resid 424  and name hn )(resid 424 and name n ) 
      (resid 424  and name ca )(resid 424 and name ha) 4.83 1.0
assign(resid 426  and name hn )(resid 426 and name n ) 
      (resid 426  and name ca )(resid 426 and name ha) 8.88 1.0
assign(resid 428  and name hn )(resid 428 and name n ) 
      (resid 428  and name ca )(resid 428 and name ha) 10.21 1.0
assign(resid 429  and name hn )(resid 429 and name n ) 
      (resid 429  and name ca )(resid 429 and name ha) 9.42 1.0
assign(resid 431  and name hn )(resid 431 and name n ) 
      (resid 431  and name ca )(resid 431 and name ha) 10.40 1.0
assign(resid 432  and name hn )(resid 432 and name n ) 
      (resid 432  and name ca )(resid 432 and name ha) 9.64 1.0
assign(resid 434  and name hn )(resid 434 and name n ) 
      (resid 434  and name ca )(resid 434 and name ha) 9.91 1.0
assign(resid 435  and name hn )(resid 435 and name n ) 
      (resid 435  and name ca )(resid 435 and name ha) 8.30 1.0
assign(resid 440  and name hn )(resid 440 and name n ) 
      (resid 440  and name ca )(resid 440 and name ha) 8.14 1.0
assign(resid 443  and name hn )(resid 443 and name n ) 
      (resid 443  and name ca )(resid 443 and name ha) 10.26 1.0
assign(resid 444  and name hn )(resid 444 and name n ) 
      (resid 444  and name ca )(resid 444 and name ha) 8.44 1.0
assign(resid 445  and name hn )(resid 445 and name n ) 
      (resid 445  and name ca )(resid 445 and name ha) 9.01 1.0
assign(resid 449  and name hn )(resid 449 and name n ) 
      (resid 449  and name ca )(resid 449 and name ha) 9.37 1.0
assign(resid 450  and name hn )(resid 450 and name n ) 
      (resid 450  and name ca )(resid 450 and name ha) 8.51 1.0


  Entry H atom name         Submitted Coord H atom name
    1    H    ASN 316           H        ASN 316 117.747  12.469  -0.840
    2    HA   ASN 316           HA       ASN 316 116.514  12.424  -2.723
    3   1HB   ASN 316          1HB       ASN 316 119.386  12.082  -3.644
    4   2HB   ASN 316          2HB       ASN 316 118.084  12.697  -4.663
    5   1HD2  ASN 316          1HD2      ASN 316 120.364  14.317  -4.019
    6   2HD2  ASN 316          2HD2      ASN 316 119.845  15.599  -3.035
    7    H    ARG 317           H        ARG 317 115.622  10.158  -2.177
    8    HA   ARG 317           HA       ARG 317 116.492   8.196  -4.277
    9   1HB   ARG 317          1HB       ARG 317 115.432   7.789  -1.462
   10   2HB   ARG 317          2HB       ARG 317 115.746   6.481  -2.603
   11   1HG   ARG 317          1HG       ARG 317 118.119   7.234  -2.761
   12   2HG   ARG 317          2HG       ARG 317 117.785   8.452  -1.530
   13   1HD   ARG 317          1HD       ARG 317 117.487   5.447  -1.163
   14   2HD   ARG 317          2HD       ARG 317 118.769   6.460  -0.469
   15    HE   ARG 317           HE       ARG 317 116.262   7.626   0.208
   16   1HH1  ARG 317          1HH1      ARG 317 118.175   4.811   0.816
   17   2HH1  ARG 317          2HH1      ARG 317 117.532   4.563   2.404
   18   1HH2  ARG 317          1HH2      ARG 317 115.421   7.308   2.278
   19   2HH2  ARG 317          2HH2      ARG 317 115.977   5.973   3.231
   20    H    GLN 318           H        GLN 318 114.820   7.243  -5.485
   21    HA   GLN 318           HA       GLN 318 112.013   8.049  -4.794
   22   1HB   GLN 318          1HB       GLN 318 113.390   8.060  -7.502
   23   2HB   GLN 318          2HB       GLN 318 111.696   8.465  -7.221
   24   1HG   GLN 318          1HG       GLN 318 112.366  10.331  -5.768
   25   2HG   GLN 318          2HG       GLN 318 114.065   9.919  -6.011
   26   1HE2  GLN 318          1HE2      GLN 318 113.094  12.483  -6.782
   27   2HE2  GLN 318          2HE2      GLN 318 113.120  12.590  -8.475
   28    H    ALA 319           H        ALA 319 110.421   6.469  -5.382
   29    HA   ALA 319           HA       ALA 319 111.169   3.722  -5.374
   30   1HB   ALA 319          1HB       ALA 319 108.965   4.511  -4.737
   31   2HB   ALA 319          2HB       ALA 319 108.773   3.452  -6.132
   32   3HB   ALA 319          3HB       ALA 319 108.704   5.202  -6.338
   33    H    SER 320           H        SER 320 111.735   2.338  -7.045
   34    HA   SER 320           HA       SER 320 111.721   3.474  -9.819
   35   1HB   SER 320          1HB       SER 320 113.658   1.902  -8.180
   36   2HB   SER 320          2HB       SER 320 113.611   1.570  -9.909
   37    HG   SER 320           HG       SER 320 114.899   3.259  -9.921
   38    H    GLU 321           H        GLU 321 111.052   0.643  -7.804
   39    HA   GLU 321           HA       GLU 321 109.134  -0.365  -9.756
   40   1HB   GLU 321          1HB       GLU 321 111.541  -0.830 -10.625
   41   2HB   GLU 321          2HB       GLU 321 111.605  -2.048  -9.350
   42   1HG   GLU 321          1HG       GLU 321 109.500  -3.042 -10.260
   43   2HG   GLU 321          2HG       GLU 321 109.578  -1.889 -11.592
   44    H    PHE 322           H        PHE 322 107.836  -2.029  -8.791
   45    HA   PHE 322           HA       PHE 322 108.749  -2.946  -6.100
   46   1HB   PHE 322          1HB       PHE 322 106.369  -2.505  -5.361
   47   2HB   PHE 322          2HB       PHE 322 107.310  -1.074  -5.743
   48    HD1  PHE 322           HD1      PHE 322 107.050  -0.045  -8.081
   49    HD2  PHE 322           HD2      PHE 322 104.331  -2.948  -6.457
   50    HE1  PHE 322           HE1      PHE 322 105.298   0.698  -9.675
   51    HE2  PHE 322           HE2      PHE 322 102.586  -2.210  -8.050
   52    HZ   PHE 322           HZ       PHE 322 103.062  -0.381  -9.645
   53    H    ILE 323           H        ILE 323 108.187  -5.010  -5.547
   54    HA   ILE 323           HA       ILE 323 106.835  -6.663  -7.653
   55    HB   ILE 323           HB       ILE 323 109.072  -7.129  -5.670
   56   1HG1  ILE 323          1HG1      ILE 323 109.250  -7.925  -8.520
   57   2HG1  ILE 323          2HG1      ILE 323 109.124  -6.191  -8.223
   58   1HG2  ILE 323          1HG2      ILE 323 108.680  -9.347  -5.630
   59   2HG2  ILE 323          2HG2      ILE 323 108.567  -9.398  -7.389
   60   3HG2  ILE 323          3HG2      ILE 323 107.136  -9.047  -6.424
   61   1HD1  ILE 323          1HD1      ILE 323 110.959  -7.329  -6.327
   62   2HD1  ILE 323          2HD1      ILE 323 111.274  -6.116  -7.568
   63   3HD1  ILE 323          3HD1      ILE 323 111.427  -7.830  -7.952
   64    HA   PRO 324           HA       PRO 324 103.761  -7.400  -4.602
   65   1HB   PRO 324          1HB       PRO 324 102.947  -9.876  -5.819
   66   2HB   PRO 324          2HB       PRO 324 102.176  -8.292  -5.966
   67   1HG   PRO 324          1HG       PRO 324 103.542  -9.669  -7.970
   68   2HG   PRO 324          2HG       PRO 324 103.044  -7.979  -8.006
   69   1HD   PRO 324          1HD       PRO 324 105.711  -9.122  -7.623
   70   2HD   PRO 324          2HD       PRO 324 105.239  -7.485  -8.126
   71    H    ALA 325           H        ALA 325 103.534  -8.532  -2.743
   72    HA   ALA 325           HA       ALA 325 105.347 -10.709  -2.012
   73   1HB   ALA 325          1HB       ALA 325 103.459  -8.892  -0.795
   74   2HB   ALA 325          2HB       ALA 325 104.776  -9.788  -0.041
   75   3HB   ALA 325          3HB       ALA 325 103.191 -10.545  -0.238
   76    H    GLN 326           H        GLN 326 104.611 -12.914  -1.729
   77    HA   GLN 326           HA       GLN 326 103.122 -13.849  -3.914
   78   1HB   GLN 326          1HB       GLN 326 104.747 -15.108  -2.502
   79   2HB   GLN 326          2HB       GLN 326 103.536 -15.200  -1.224
   80   1HG   GLN 326          1HG       GLN 326 103.213 -17.231  -2.335
   81   2HG   GLN 326          2HG       GLN 326 102.023 -16.198  -3.127
   82   1HE2  GLN 326          1HE2      GLN 326 104.636 -14.824  -4.392
   83   2HE2  GLN 326          2HE2      GLN 326 104.944 -15.837  -5.717
   84    H    GLY 327           H        GLY 327 101.012 -13.954  -4.330
   85   1HA   GLY 327          1HA       GLY 327  98.725 -14.541  -3.693
   86   2HA   GLY 327          2HA       GLY 327  99.075 -13.961  -2.066
   87    H    VAL 328           H        VAL 328 100.457 -11.714  -4.094
   88    HA   VAL 328           HA       VAL 328  97.902 -10.202  -4.462
   89    HB   VAL 328           HB       VAL 328 100.475  -9.151  -3.237
   90   1HG1  VAL 328          1HG1      VAL 328  97.746  -7.858  -3.528
   91   2HG1  VAL 328          2HG1      VAL 328  99.142  -7.491  -4.541
   92   3HG1  VAL 328          3HG1      VAL 328  99.182  -7.121  -2.817
   93   1HG2  VAL 328          1HG2      VAL 328  98.079 -10.438  -2.111
   94   2HG2  VAL 328          2HG2      VAL 328  98.459  -8.882  -1.372
   95   3HG2  VAL 328          3HG2      VAL 328  99.661 -10.173  -1.377
   96    H    ASP 329           H        ASP 329  97.842  -9.022  -6.365
   97    HA   ASP 329           HA       ASP 329  99.923  -9.421  -8.370
   98   1HB   ASP 329          1HB       ASP 329  97.424  -7.705  -8.203
   99   2HB   ASP 329          2HB       ASP 329  98.383  -7.905  -9.670
  100    H    GLU 330           H        GLU 330 101.283  -7.737  -9.261
  101    HA   GLU 330           HA       GLU 330 102.473  -5.999  -7.352
  102   1HB   GLU 330          1HB       GLU 330 103.479  -6.907  -9.469
  103   2HB   GLU 330          2HB       GLU 330 102.486  -5.768 -10.378
  104   1HG   GLU 330          1HG       GLU 330 103.531  -3.891  -9.114
  105   2HG   GLU 330          2HG       GLU 330 104.576  -5.051  -8.294
  106    H    LYS 331           H        LYS 331 100.023  -5.313  -9.872
  107    HA   LYS 331           HA       LYS 331  99.864  -2.482  -9.476
  108   1HB   LYS 331          1HB       LYS 331  98.841  -3.891 -11.288
  109   2HB   LYS 331          2HB       LYS 331  97.667  -4.472 -10.108
  110   1HG   LYS 331          1HG       LYS 331  96.982  -2.099  -9.693
  111   2HG   LYS 331          2HG       LYS 331  98.064  -1.600 -10.994
  112   1HD   LYS 331          1HD       LYS 331  95.590  -3.326 -11.191
  113   2HD   LYS 331          2HD       LYS 331  95.924  -1.803 -12.017
  114   1HE   LYS 331          1HE       LYS 331  97.678  -2.855 -13.354
  115   2HE   LYS 331          2HE       LYS 331  97.478  -4.379 -12.458
  116   1HZ   LYS 331          1HZ       LYS 331  95.129  -4.386 -13.141
  117   2HZ   LYS 331          2HZ       LYS 331  96.175  -4.458 -14.479
  118   3HZ   LYS 331          3HZ       LYS 331  95.397  -3.001 -14.082
  119    H    THR 332           H        THR 332  98.203  -5.202  -7.887
  120    HA   THR 332           HA       THR 332  96.614  -3.722  -6.027
  121    HB   THR 332           HB       THR 332  98.067  -6.377  -5.769
  122    HG1  THR 332           HG1      THR 332  96.394  -5.799  -7.516
  123   1HG2  THR 332          1HG2      THR 332  96.130  -6.856  -4.191
  124   2HG2  THR 332          2HG2      THR 332  95.792  -5.125  -4.221
  125   3HG2  THR 332          3HG2      THR 332  97.333  -5.713  -3.594
  126    H    LEU 333           H        LEU 333  99.981  -4.887  -5.845
  127    HA   LEU 333           HA       LEU 333 100.620  -3.902  -3.234
  128   1HB   LEU 333          1HB       LEU 333 102.130  -5.404  -4.238
  129   2HB   LEU 333          2HB       LEU 333 102.112  -4.544  -5.775
  130    HG   LEU 333           HG       LEU 333 103.416  -2.730  -4.856
  131   1HD1  LEU 333          1HD1      LEU 333 103.520  -4.153  -2.201
  132   2HD1  LEU 333          2HD1      LEU 333 102.262  -2.969  -2.559
  133   3HD1  LEU 333          3HD1      LEU 333 103.956  -2.486  -2.571
  134   1HD2  LEU 333          1HD2      LEU 333 105.145  -4.608  -3.592
  135   2HD2  LEU 333          2HD2      LEU 333 105.245  -3.995  -5.239
  136   3HD2  LEU 333          3HD2      LEU 333 104.319  -5.455  -4.898
  137    H    ALA 334           H        ALA 334 100.724  -2.347  -6.442
  138    HA   ALA 334           HA       ALA 334 102.050   0.044  -5.601
  139   1HB   ALA 334          1HB       ALA 334 101.022  -1.151  -7.945
  140   2HB   ALA 334          2HB       ALA 334 101.994   0.317  -7.842
  141   3HB   ALA 334          3HB       ALA 334 100.234   0.422  -7.822
  142    H    ASP 335           H        ASP 335  98.579  -0.745  -5.922
  143    HA   ASP 335           HA       ASP 335  97.595   1.882  -5.342
  144   1HB   ASP 335          1HB       ASP 335  96.469  -0.910  -4.943
  145   2HB   ASP 335          2HB       ASP 335  95.512   0.562  -4.779
  146    H    ALA 336           H        ALA 336  98.053  -0.966  -3.203
  147    HA   ALA 336           HA       ALA 336  97.437   0.476  -0.762
  148   1HB   ALA 336          1HB       ALA 336  98.419  -1.535   0.262
  149   2HB   ALA 336          2HB       ALA 336  99.110  -2.001  -1.292
  150   3HB   ALA 336          3HB       ALA 336  97.360  -1.986  -1.073
  151    H    ALA 337           H        ALA 337 100.348  -0.035  -2.679
  152    HA   ALA 337           HA       ALA 337 102.313   0.957  -0.893
  153   1HB   ALA 337          1HB       ALA 337 103.242   1.744  -3.265
  154   2HB   ALA 337          2HB       ALA 337 101.884   0.794  -3.868
  155   3HB   ALA 337          3HB       ALA 337 103.131   0.026  -2.885
  156    H    GLN 338           H        GLN 338  99.924   2.539  -2.957
  157    HA   GLN 338           HA       GLN 338 100.924   5.227  -2.587
  158   1HB   GLN 338          1HB       GLN 338  98.519   3.831  -3.679
  159   2HB   GLN 338          2HB       GLN 338  98.355   5.544  -3.319
  160   1HG   GLN 338          1HG       GLN 338 100.625   5.734  -4.622
  161   2HG   GLN 338          2HG       GLN 338 100.132   4.194  -5.319
  162   1HE2  GLN 338          1HE2      GLN 338 100.195   7.079  -6.466
  163   2HE2  GLN 338          2HE2      GLN 338  98.637   7.305  -7.076
  164    H    LEU 339           H        LEU 339  97.988   3.586  -1.292
  165    HA   LEU 339           HA       LEU 339  97.210   5.778   0.299
  166   1HB   LEU 339          1HB       LEU 339  96.033   3.807   1.667
  167   2HB   LEU 339          2HB       LEU 339  95.482   4.276   0.071
  168    HG   LEU 339           HG       LEU 339  97.617   2.282  -0.021
  169   1HD1  LEU 339          1HD1      LEU 339  95.151   1.890   1.630
  170   2HD1  LEU 339          2HD1      LEU 339  96.762   1.203   1.849
  171   3HD1  LEU 339          3HD1      LEU 339  95.686   0.552   0.613
  172   1HD2  LEU 339          1HD2      LEU 339  94.760   2.381  -1.057
  173   2HD2  LEU 339          2HD2      LEU 339  96.024   1.291  -1.621
  174   3HD2  LEU 339          3HD2      LEU 339  96.158   3.024  -1.915
  175    H    ALA 340           H        ALA 340  99.324   3.082   1.090
  176    HA   ALA 340           HA       ALA 340  99.769   3.776   3.874
  177   1HB   ALA 340          1HB       ALA 340 101.358   2.287   1.769
  178   2HB   ALA 340          2HB       ALA 340 100.253   1.592   2.956
  179   3HB   ALA 340          3HB       ALA 340 101.772   2.317   3.484
  180    H    SER 341           H        SER 341 100.855   5.068   0.816
  181    HA   SER 341           HA       SER 341 103.149   6.474   2.105
  182   1HB   SER 341          1HB       SER 341 103.941   6.695  -0.195
  183   2HB   SER 341          2HB       SER 341 103.456   5.028   0.091
  184    HG   SER 341           HG       SER 341 102.562   5.742  -1.840
  185    H    LEU 342           H        LEU 342 100.013   7.210   1.715
  186    HA   LEU 342           HA       LEU 342  99.979   9.681   0.248
  187   1HB   LEU 342          1HB       LEU 342  98.327   8.821   2.641
  188   2HB   LEU 342          2HB       LEU 342  97.859   9.997   1.412
  189    HG   LEU 342           HG       LEU 342  98.340   7.048   1.008
  190   1HD1  LEU 342          1HD1      LEU 342  95.947   7.100   0.337
  191   2HD1  LEU 342          2HD1      LEU 342  95.903   8.813   0.726
  192   3HD1  LEU 342          3HD1      LEU 342  96.177   7.632   2.003
  193   1HD2  LEU 342          1HD2      LEU 342  97.783   7.486  -1.350
  194   2HD2  LEU 342          2HD2      LEU 342  99.221   8.387  -0.866
  195   3HD2  LEU 342          3HD2      LEU 342  97.669   9.212  -1.001
  196    H    ALA 343           H        ALA 343 100.321   8.918   3.652
  197    HA   ALA 343           HA       ALA 343 100.667  11.766   4.353
  198   1HB   ALA 343          1HB       ALA 343  99.193  10.719   5.809
  199   2HB   ALA 343          2HB       ALA 343 100.698  10.480   6.698
  200   3HB   ALA 343          3HB       ALA 343 100.041   9.175   5.711
  201    H    ASP 344           H        ASP 344 102.809   9.420   3.373
  202    HA   ASP 344           HA       ASP 344 104.927   9.695   5.323
  203   1HB   ASP 344          1HB       ASP 344 106.328   9.016   3.315
  204   2HB   ASP 344          2HB       ASP 344 105.012   7.914   3.727
  205    H    GLU 345           H        GLU 345 106.232  11.352   5.685
  206    HA   GLU 345           HA       GLU 345 106.037  13.776   3.977
  207   1HB   GLU 345          1HB       GLU 345 107.249  13.167   6.691
  208   2HB   GLU 345          2HB       GLU 345 107.209  14.763   5.951
  209   1HG   GLU 345          1HG       GLU 345 104.731  14.640   5.845
  210   2HG   GLU 345          2HG       GLU 345 104.794  13.070   6.647
  211    H    THR 346           H        THR 346 107.812  11.046   3.934
  212    HA   THR 346           HA       THR 346 110.530  12.072   3.748
  213    HB   THR 346           HB       THR 346 111.062   9.808   3.362
  214    HG1  THR 346           HG1      THR 346 108.498   9.104   2.527
  215   1HG2  THR 346          1HG2      THR 346 109.856   8.571   4.953
  216   2HG2  THR 346          2HG2      THR 346 108.327   9.357   4.548
  217   3HG2  THR 346          3HG2      THR 346 109.561  10.236   5.455
  218    HA   PRO 347           HA       PRO 347 110.533  13.497  -0.452
  219   1HB   PRO 347          1HB       PRO 347 113.065  11.964  -0.746
  220   2HB   PRO 347          2HB       PRO 347 112.759  13.691  -1.015
  221   1HG   PRO 347          1HG       PRO 347 114.106  12.771   1.126
  222   2HG   PRO 347          2HG       PRO 347 113.111  14.233   1.170
  223   1HD   PRO 347          1HD       PRO 347 112.586  11.567   2.337
  224   2HD   PRO 347          2HD       PRO 347 112.003  13.167   2.848
  225    H    GLU 348           H        GLU 348 111.456  10.149   0.288
  226    HA   GLU 348           HA       GLU 348 110.818   8.987  -2.262
  227   1HB   GLU 348          1HB       GLU 348 110.858   7.928   0.580
  228   2HB   GLU 348          2HB       GLU 348 110.735   6.904  -0.850
  229   1HG   GLU 348          1HG       GLU 348 112.875   7.841  -1.685
  230   2HG   GLU 348          2HG       GLU 348 113.008   8.808  -0.216
  231    H    GLY 349           H        GLY 349 108.860   9.906   0.526
  232   1HA   GLY 349          1HA       GLY 349 106.619   8.263   0.170
  233   2HA   GLY 349          2HA       GLY 349 106.532   9.896   0.832
  234    H    ARG 350           H        ARG 350 107.508  11.218  -1.533
  235    HA   ARG 350           HA       ARG 350 105.054  11.260  -3.164
  236   1HB   ARG 350          1HB       ARG 350 107.739  12.666  -3.367
  237   2HB   ARG 350          2HB       ARG 350 106.328  13.053  -4.352
  238   1HG   ARG 350          1HG       ARG 350 105.046  13.533  -2.269
  239   2HG   ARG 350          2HG       ARG 350 106.513  13.245  -1.332
  240   1HD   ARG 350          1HD       ARG 350 107.641  15.058  -2.700
  241   2HD   ARG 350          2HD       ARG 350 106.046  15.437  -3.378
  242    HE   ARG 350           HE       ARG 350 105.552  15.378  -0.673
  243   1HH1  ARG 350          1HH1      ARG 350 107.898  16.935  -2.679
  244   2HH1  ARG 350          2HH1      ARG 350 108.074  18.301  -1.631
  245   1HH2  ARG 350          1HH2      ARG 350 105.778  17.155   0.699
  246   2HH2  ARG 350          2HH2      ARG 350 106.877  18.426   0.278
  247    H    SER 351           H        SER 351 108.415  10.143  -3.545
  248    HA   SER 351           HA       SER 351 108.290   9.521  -6.320
  249   1HB   SER 351          1HB       SER 351 109.793   7.998  -4.180
  250   2HB   SER 351          2HB       SER 351 110.275   8.262  -5.854
  251    HG   SER 351           HG       SER 351 111.260   9.664  -4.207
  252    H    ILE 352           H        ILE 352 107.342   7.624  -3.465
  253    HA   ILE 352           HA       ILE 352 106.816   5.164  -4.857
  254    HB   ILE 352           HB       ILE 352 105.699   6.312  -2.277
  255   1HG1  ILE 352          1HG1      ILE 352 108.081   4.487  -2.720
  256   2HG1  ILE 352          2HG1      ILE 352 108.215   6.228  -2.477
  257   1HG2  ILE 352          1HG2      ILE 352 105.523   3.671  -3.625
  258   2HG2  ILE 352          2HG2      ILE 352 104.399   4.431  -2.491
  259   3HG2  ILE 352          3HG2      ILE 352 105.869   3.640  -1.896
  260   1HD1  ILE 352          1HD1      ILE 352 106.680   5.669  -0.361
  261   2HD1  ILE 352          2HD1      ILE 352 108.438   5.540  -0.286
  262   3HD1  ILE 352          3HD1      ILE 352 107.456   4.095  -0.531
  263    H    VAL 353           H        VAL 353 104.622   7.775  -3.739
  264    HA   VAL 353           HA       VAL 353 102.210   6.616  -4.742
  265    HB   VAL 353           HB       VAL 353 102.989   9.534  -4.431
  266   1HG1  VAL 353          1HG1      VAL 353 100.691   8.588  -5.474
  267   2HG1  VAL 353          2HG1      VAL 353 100.753  10.039  -4.474
  268   3HG1  VAL 353          3HG1      VAL 353 100.284   8.496  -3.760
  269   1HG2  VAL 353          1HG2      VAL 353 102.985   7.444  -2.500
  270   2HG2  VAL 353          2HG2      VAL 353 101.551   8.424  -2.187
  271   3HG2  VAL 353          3HG2      VAL 353 103.147   9.175  -2.205
  272    H    ILE 354           H        ILE 354 104.665   8.612  -6.311
  273    HA   ILE 354           HA       ILE 354 103.214   8.836  -8.852
  274    HB   ILE 354           HB       ILE 354 106.143   9.165  -8.105
  275   1HG1  ILE 354          1HG1      ILE 354 104.179  11.403  -8.537
  276   2HG1  ILE 354          2HG1      ILE 354 104.252  10.597  -6.970
  277   1HG2  ILE 354          1HG2      ILE 354 105.099   8.965 -10.622
  278   2HG2  ILE 354          2HG2      ILE 354 106.529   9.916 -10.223
  279   3HG2  ILE 354          3HG2      ILE 354 104.953  10.699 -10.336
  280   1HD1  ILE 354          1HD1      ILE 354 105.977  12.627  -7.956
  281   2HD1  ILE 354          2HD1      ILE 354 106.928  11.146  -7.858
  282   3HD1  ILE 354          3HD1      ILE 354 106.098  11.757  -6.426
  283    H    LEU 355           H        LEU 355 105.538   6.593  -7.394
  284    HA   LEU 355           HA       LEU 355 106.282   5.125  -9.717
  285   1HB   LEU 355          1HB       LEU 355 107.430   4.809  -7.645
  286   2HB   LEU 355          2HB       LEU 355 105.935   4.445  -6.788
  287    HG   LEU 355           HG       LEU 355 106.130   2.598  -8.943
  288   1HD1  LEU 355          1HD1      LEU 355 108.317   2.138  -9.176
  289   2HD1  LEU 355          2HD1      LEU 355 108.433   1.805  -7.448
  290   3HD1  LEU 355          3HD1      LEU 355 108.710   3.439  -8.052
  291   1HD2  LEU 355          1HD2      LEU 355 105.117   1.611  -7.163
  292   2HD2  LEU 355          2HD2      LEU 355 105.952   2.645  -6.005
  293   3HD2  LEU 355          3HD2      LEU 355 106.752   1.205  -6.639
  294    H    ALA 356           H        ALA 356 103.493   4.775  -7.538
  295    HA   ALA 356           HA       ALA 356 102.358   2.420  -8.738
  296   1HB   ALA 356          1HB       ALA 356 100.395   4.289  -7.726
  297   2HB   ALA 356          2HB       ALA 356 101.815   4.299  -6.678
  298   3HB   ALA 356          3HB       ALA 356 100.961   2.787  -6.993
  299    H    LYS 357           H        LYS 357 101.813   5.898  -9.364
  300    HA   LYS 357           HA       LYS 357  99.713   5.435 -11.238
  301   1HB   LYS 357          1HB       LYS 357 101.623   7.765 -11.014
  302   2HB   LYS 357          2HB       LYS 357 100.017   7.818 -11.720
  303   1HG   LYS 357          1HG       LYS 357  99.105   7.085  -9.482
  304   2HG   LYS 357          2HG       LYS 357 100.723   7.318  -8.822
  305   1HD   LYS 357          1HD       LYS 357 100.627   9.682  -9.778
  306   2HD   LYS 357          2HD       LYS 357  98.907   9.396 -10.052
  307   1HE   LYS 357          1HE       LYS 357  98.503   9.066  -7.694
  308   2HE   LYS 357          2HE       LYS 357 100.245   9.058  -7.345
  309   1HZ   LYS 357          1HZ       LYS 357 100.421  11.302  -8.137
  310   2HZ   LYS 357          2HZ       LYS 357  99.199  11.250  -6.958
  311   3HZ   LYS 357          3HZ       LYS 357  98.791  11.324  -8.606
  312    H    GLN 358           H        GLN 358 103.153   6.147 -11.760
  313    HA   GLN 358           HA       GLN 358 102.935   6.273 -14.608
  314   1HB   GLN 358          1HB       GLN 358 105.338   6.431 -14.493
  315   2HB   GLN 358          2HB       GLN 358 104.692   7.250 -13.075
  316   1HG   GLN 358          1HG       GLN 358 105.022   5.107 -11.792
  317   2HG   GLN 358          2HG       GLN 358 105.870   4.470 -13.203
  318   1HE2  GLN 358          1HE2      GLN 358 108.025   4.449 -12.412
  319   2HE2  GLN 358          2HE2      GLN 358 108.838   5.837 -11.873
  320    H    ARG 359           H        ARG 359 104.028   3.673 -12.436
  321    HA   ARG 359           HA       ARG 359 104.841   1.982 -14.630
  322   1HB   ARG 359          1HB       ARG 359 104.436   1.557 -11.661
  323   2HB   ARG 359          2HB       ARG 359 105.148   0.342 -12.725
  324   1HG   ARG 359          1HG       ARG 359 106.773   2.207 -13.459
  325   2HG   ARG 359          2HG       ARG 359 106.215   3.075 -12.030
  326   1HD   ARG 359          1HD       ARG 359 106.935   1.258 -10.574
  327   2HD   ARG 359          2HD       ARG 359 107.387   0.273 -11.981
  328    HE   ARG 359           HE       ARG 359 108.942   2.473 -10.906
  329   1HH1  ARG 359          1HH1      ARG 359 107.972   0.807 -13.776
  330   2HH1  ARG 359          2HH1      ARG 359 109.371   1.282 -14.677
  331   1HH2  ARG 359          1HH2      ARG 359 110.770   3.094 -12.075
  332   2HH2  ARG 359          2HH2      ARG 359 110.953   2.572 -13.716
  333    H    PHE 360           H        PHE 360 101.984   1.906 -12.443
  334    HA   PHE 360           HA       PHE 360 100.918  -0.277 -14.214
  335   1HB   PHE 360          1HB       PHE 360 101.122  -0.017 -11.211
  336   2HB   PHE 360          2HB       PHE 360 100.111  -1.234 -11.990
  337    HD1  PHE 360           HD1      PHE 360 103.572  -0.087 -11.417
  338    HD2  PHE 360           HD2      PHE 360 101.088  -3.087 -13.237
  339    HE1  PHE 360           HE1      PHE 360 105.562  -1.532 -11.753
  340    HE2  PHE 360           HE2      PHE 360 103.078  -4.530 -13.574
  341    HZ   PHE 360           HZ       PHE 360 105.315  -3.753 -12.832
  342    H    ASN 361           H        ASN 361 100.071   2.371 -11.998
  343    HA   ASN 361           HA       ASN 361  97.352   2.497 -13.182
  344   1HB   ASN 361          1HB       ASN 361  97.499   0.642 -11.480
  345   2HB   ASN 361          2HB       ASN 361  97.895   1.863 -10.267
  346   1HD2  ASN 361          1HD2      ASN 361  95.619   0.563  -9.645
  347   2HD2  ASN 361          2HD2      ASN 361  94.233   1.461 -10.036
  348    H    LEU 362           H        LEU 362  97.673   4.739 -13.629
  349    HA   LEU 362           HA       LEU 362  98.511   6.744 -11.754
  350   1HB   LEU 362          1HB       LEU 362  96.466   6.784 -14.002
  351   2HB   LEU 362          2HB       LEU 362  97.207   8.210 -13.277
  352    HG   LEU 362           HG       LEU 362  98.895   6.020 -14.485
  353   1HD1  LEU 362          1HD1      LEU 362  97.187   8.005 -15.839
  354   2HD1  LEU 362          2HD1      LEU 362  97.941   6.546 -16.482
  355   3HD1  LEU 362          3HD1      LEU 362  98.874   8.037 -16.354
  356   1HD2  LEU 362          1HD2      LEU 362  99.301   8.624 -13.246
  357   2HD2  LEU 362          2HD2      LEU 362 100.000   8.569 -14.864
  358   3HD2  LEU 362          3HD2      LEU 362 100.491   7.388 -13.651
  359    H    ARG 363           H        ARG 363  97.553   6.094  -9.718
  360    HA   ARG 363           HA       ARG 363  94.646   6.746  -9.500
  361   1HB   ARG 363          1HB       ARG 363  95.034   4.282  -9.820
  362   2HB   ARG 363          2HB       ARG 363  96.023   4.290  -8.359
  363   1HG   ARG 363          1HG       ARG 363  93.832   3.598  -7.680
  364   2HG   ARG 363          2HG       ARG 363  94.010   5.269  -7.146
  365   1HD   ARG 363          1HD       ARG 363  92.806   6.039  -9.183
  366   2HD   ARG 363          2HD       ARG 363  92.578   4.345  -9.664
  367    HE   ARG 363           HE       ARG 363  91.713   4.901  -6.927
  368   1HH1  ARG 363          1HH1      ARG 363  90.887   4.875 -10.284
  369   2HH1  ARG 363          2HH1      ARG 363  89.188   4.711  -9.994
  370   1HH2  ARG 363          1HH2      ARG 363  89.500   4.688  -6.543
  371   2HH2  ARG 363          2HH2      ARG 363  88.403   4.606  -7.882
  372    H    GLU 364           H        GLU 364  94.064   7.142  -7.176
  373    HA   GLU 364           HA       GLU 364  96.456   8.026  -5.596
  374   1HB   GLU 364          1HB       GLU 364  93.758   9.365  -5.886
  375   2HB   GLU 364          2HB       GLU 364  95.162  10.002  -5.029
  376   1HG   GLU 364          1HG       GLU 364  96.441   9.982  -7.162
  377   2HG   GLU 364          2HG       GLU 364  94.986   9.444  -8.002
  378    H    ARG 365           H        ARG 365  94.727   8.995  -3.512
  379    HA   ARG 365           HA       ARG 365  94.210   6.415  -2.134
  380   1HB   ARG 365          1HB       ARG 365  94.255   7.801  -0.146
  381   2HB   ARG 365          2HB       ARG 365  95.576   8.333  -1.189
  382   1HG   ARG 365          1HG       ARG 365  94.108  10.125  -2.096
  383   2HG   ARG 365          2HG       ARG 365  92.840   9.624  -0.977
  384   1HD   ARG 365          1HD       ARG 365  94.326  10.109   0.937
  385   2HD   ARG 365          2HD       ARG 365  95.596  10.619  -0.188
  386    HE   ARG 365           HE       ARG 365  93.176  12.133   0.454
  387   1HH1  ARG 365          1HH1      ARG 365  95.654  11.460  -1.861
  388   2HH1  ARG 365          2HH1      ARG 365  95.498  12.987  -2.660
  389   1HH2  ARG 365          1HH2      ARG 365  92.967  14.125  -0.584
  390   2HH2  ARG 365          2HH2      ARG 365  93.980  14.493  -1.939
  391    H    ASP 366           H        ASP 366  92.217   6.213  -0.825
  392    HA   ASP 366           HA       ASP 366  89.929   7.805  -1.931
  393   1HB   ASP 366          1HB       ASP 366  90.102   4.864  -1.206
  394   2HB   ASP 366          2HB       ASP 366  88.593   5.687  -1.604
  395    H    VAL 367           H        VAL 367  91.470   8.435   0.396
  396    HA   VAL 367           HA       VAL 367  90.180   7.466   2.804
  397    HB   VAL 367           HB       VAL 367  91.859   9.925   2.231
  398   1HG1  VAL 367          1HG1      VAL 367  90.559   8.998   4.620
  399   2HG1  VAL 367          2HG1      VAL 367  91.592  10.412   4.413
  400   3HG1  VAL 367          3HG1      VAL 367  92.305   8.852   4.828
  401   1HG2  VAL 367          1HG2      VAL 367  93.539   8.163   3.405
  402   2HG2  VAL 367          2HG2      VAL 367  93.338   8.267   1.656
  403   3HG2  VAL 367          3HG2      VAL 367  92.470   7.035   2.571
  404    H    GLN 368           H        GLN 368  89.976  10.517   0.955
  405    HA   GLN 368           HA       GLN 368  88.113  11.796   2.705
  406   1HB   GLN 368          1HB       GLN 368  88.801  12.187  -0.223
  407   2HB   GLN 368          2HB       GLN 368  87.889  13.347   0.744
  408   1HG   GLN 368          1HG       GLN 368  89.781  13.578   2.292
  409   2HG   GLN 368          2HG       GLN 368  90.695  12.381   1.372
  410   1HE2  GLN 368          1HE2      GLN 368  91.697  15.035   1.693
  411   2HE2  GLN 368          2HE2      GLN 368  91.664  15.813   0.185
  412    H    SER 369           H        SER 369  87.651   9.581   0.023
  413    HA   SER 369           HA       SER 369  84.744  10.081  -0.136
  414   1HB   SER 369          1HB       SER 369  86.848   8.557  -1.530
  415   2HB   SER 369          2HB       SER 369  85.316   7.702  -1.418
  416    HG   SER 369           HG       SER 369  84.385   9.183  -2.645
  417    H    LEU 370           H        LEU 370  86.994   7.869   1.386
  418    HA   LEU 370           HA       LEU 370  84.750   6.182   2.388
  419   1HB   LEU 370          1HB       LEU 370  87.764   5.869   2.485
  420   2HB   LEU 370          2HB       LEU 370  86.584   4.633   2.919
  421    HG   LEU 370           HG       LEU 370  87.096   5.828   0.189
  422   1HD1  LEU 370          1HD1      LEU 370  87.006   2.942   1.110
  423   2HD1  LEU 370          2HD1      LEU 370  88.490   3.892   1.032
  424   3HD1  LEU 370          3HD1      LEU 370  87.583   3.551  -0.442
  425   1HD2  LEU 370          1HD2      LEU 370  84.649   4.638   1.335
  426   2HD2  LEU 370          2HD2      LEU 370  85.168   3.918  -0.189
  427   3HD2  LEU 370          3HD2      LEU 370  84.846   5.651  -0.096
  428    H    HIS 371           H        HIS 371  86.530   8.843   3.392
  429    HA   HIS 371           HA       HIS 371  86.879   9.834   5.512
  430   1HB   HIS 371          1HB       HIS 371  84.444   9.175   5.656
  431   2HB   HIS 371          2HB       HIS 371  84.956   7.665   6.410
  432    HD1  HIS 371           HD1      HIS 371  85.566  11.400   6.962
  433    HD2  HIS 371           HD2      HIS 371  85.073   7.887   9.153
  434    HE1  HIS 371           HE1      HIS 371  85.636  12.063   9.406
  435    H    ALA 372           H        ALA 372  88.888   8.169   4.755
  436    HA   ALA 372           HA       ALA 372  89.347   6.140   6.867
  437   1HB   ALA 372          1HB       ALA 372  91.256   5.557   5.417
  438   2HB   ALA 372          2HB       ALA 372  90.956   6.992   4.438
  439   3HB   ALA 372          3HB       ALA 372  89.775   5.681   4.467
  440    H    THR 373           H        THR 373  91.738   6.132   7.702
  441    HA   THR 373           HA       THR 373  92.430   8.928   8.548
  442    HB   THR 373           HB       THR 373  92.635   6.229   9.905
  443    HG1  THR 373           HG1      THR 373  91.112   8.573  10.304
  444   1HG2  THR 373          1HG2      THR 373  93.212   8.213  11.775
  445   2HG2  THR 373          2HG2      THR 373  94.134   8.685  10.348
  446   3HG2  THR 373          3HG2      THR 373  94.367   7.086  11.059
  447    H    PHE 374           H        PHE 374  94.510   9.595   8.139
  448    HA   PHE 374           HA       PHE 374  96.416   7.729   6.830
  449   1HB   PHE 374          1HB       PHE 374  96.615  10.677   7.532
  450   2HB   PHE 374          2HB       PHE 374  97.680   9.793   6.447
  451    HD1  PHE 374           HD1      PHE 374  96.860   8.964   4.268
  452    HD2  PHE 374           HD2      PHE 374  94.404  11.385   6.833
  453    HE1  PHE 374           HE1      PHE 374  95.342   9.448   2.367
  454    HE2  PHE 374           HE2      PHE 374  92.888  11.866   4.932
  455    HZ   PHE 374           HZ       PHE 374  93.361  10.901   2.696
  456    H    VAL 375           H        VAL 375  98.450   7.246   7.795
  457    HA   VAL 375           HA       VAL 375  98.801   8.103  10.646
  458    HB   VAL 375           HB       VAL 375  99.399   5.473   9.256
  459   1HG1  VAL 375          1HG1      VAL 375 100.432   4.715  11.280
  460   2HG1  VAL 375          2HG1      VAL 375  99.947   6.170  12.150
  461   3HG1  VAL 375          3HG1      VAL 375 101.184   6.264  10.896
  462   1HG2  VAL 375          1HG2      VAL 375  97.935   5.314  11.733
  463   2HG2  VAL 375          2HG2      VAL 375  97.426   4.813  10.121
  464   3HG2  VAL 375          3HG2      VAL 375  97.143   6.468  10.660
  465    HA   PRO 376           HA       PRO 376 102.145  10.030   8.283
  466   1HB   PRO 376          1HB       PRO 376 103.143  11.262  10.623
  467   2HB   PRO 376          2HB       PRO 376 102.057  11.993   9.429
  468   1HG   PRO 376          1HG       PRO 376 101.446  10.829  12.068
  469   2HG   PRO 376          2HG       PRO 376 100.601  12.093  11.163
  470   1HD   PRO 376          1HD       PRO 376  99.643   9.570  11.439
  471   2HD   PRO 376          2HD       PRO 376  99.300  10.589  10.023
  472    H    PHE 377           H        PHE 377 104.454   9.688   8.276
  473    HA   PHE 377           HA       PHE 377 105.283   7.142   9.338
  474   1HB   PHE 377          1HB       PHE 377 106.088   8.156   7.228
  475   2HB   PHE 377          2HB       PHE 377 106.849   9.456   8.146
  476    HD1  PHE 377           HD1      PHE 377 108.794   9.009   9.600
  477    HD2  PHE 377           HD2      PHE 377 107.049   5.925   7.165
  478    HE1  PHE 377           HE1      PHE 377 110.815   7.607   9.927
  479    HE2  PHE 377           HE2      PHE 377 109.071   4.524   7.492
  480    HZ   PHE 377           HZ       PHE 377 110.953   5.363   8.874
  481    H    THR 378           H        THR 378 106.344   6.681  11.220
  482    HA   THR 378           HA       THR 378 107.361   8.976  12.864
  483    HB   THR 378           HB       THR 378 107.011   7.224  14.743
  484    HG1  THR 378           HG1      THR 378 106.378   5.374  14.028
  485   1HG2  THR 378          1HG2      THR 378 104.897   8.681  13.204
  486   2HG2  THR 378          2HG2      THR 378 105.503   8.981  14.833
  487   3HG2  THR 378          3HG2      THR 378 104.409   7.630  14.533
  488    H    ALA 379           H        ALA 379 109.476   8.780  13.636
  489    HA   ALA 379           HA       ALA 379 111.262   6.977  12.229
  490   1HB   ALA 379          1HB       ALA 379 111.824   8.681  14.668
  491   2HB   ALA 379          2HB       ALA 379 111.651   9.368  13.053
  492   3HB   ALA 379          3HB       ALA 379 112.950   8.224  13.390
  493    H    GLN 380           H        GLN 380 109.599   6.891  15.311
  494    HA   GLN 380           HA       GLN 380 111.317   5.126  16.749
  495   1HB   GLN 380          1HB       GLN 380 108.304   5.506  16.744
  496   2HB   GLN 380          2HB       GLN 380 109.194   4.649  18.003
  497   1HG   GLN 380          1HG       GLN 380 110.484   6.675  18.503
  498   2HG   GLN 380          2HG       GLN 380 109.651   7.540  17.211
  499   1HE2  GLN 380          1HE2      GLN 380 109.479   8.490  19.883
  500   2HE2  GLN 380          2HE2      GLN 380 107.893   8.265  20.446
  501    H    SER 381           H        SER 381 108.574   4.456  14.567
  502    HA   SER 381           HA       SER 381 109.236   1.561  14.603
  503   1HB   SER 381          1HB       SER 381 106.993   3.204  13.407
  504   2HB   SER 381          2HB       SER 381 107.110   1.453  13.254
  505    HG   SER 381           HG       SER 381 107.314   2.632  15.791
  506    H    ARG 382           H        ARG 382 109.842   4.367  12.807
  507    HA   ARG 382           HA       ARG 382 110.847   4.748  10.706
  508   1HB   ARG 382          1HB       ARG 382 111.524   1.816  11.130
  509   2HB   ARG 382          2HB       ARG 382 112.269   2.850   9.912
  510   1HG   ARG 382          1HG       ARG 382 113.035   4.379  11.727
  511   2HG   ARG 382          2HG       ARG 382 112.375   3.254  12.915
  512   1HD   ARG 382          1HD       ARG 382 113.859   1.458  11.928
  513   2HD   ARG 382          2HD       ARG 382 114.627   2.724  10.948
  514    HE   ARG 382           HE       ARG 382 115.653   3.554  12.912
  515   1HH1  ARG 382          1HH1      ARG 382 113.029   1.420  13.627
  516   2HH1  ARG 382          2HH1      ARG 382 113.345   1.398  15.329
  517   1HH2  ARG 382          1HH2      ARG 382 116.070   3.530  15.129
  518   2HH2  ARG 382          2HH2      ARG 382 115.062   2.589  16.179
  519    H    MET 383           H        MET 383 108.122   4.343  10.661
  520    HA   MET 383           HA       MET 383 107.717   3.313   7.942
  521   1HB   MET 383          1HB       MET 383 106.022   1.591   8.810
  522   2HB   MET 383          2HB       MET 383 107.727   1.202   9.038
  523   1HG   MET 383          1HG       MET 383 107.659   1.637  11.324
  524   2HG   MET 383          2HG       MET 383 106.259   2.699  11.185
  525   1HE   MET 383          1HE       MET 383 107.343  -1.274  11.135
  526   2HE   MET 383          2HE       MET 383 107.135  -0.492   9.570
  527   3HE   MET 383          3HE       MET 383 105.977  -1.709  10.099
  528    H    SER 384           H        SER 384 105.353   3.385   7.371
  529    HA   SER 384           HA       SER 384 103.626   5.156   8.993
  530   1HB   SER 384          1HB       SER 384 103.628   6.918   7.370
  531   2HB   SER 384          2HB       SER 384 105.322   6.499   7.594
  532    HG   SER 384           HG       SER 384 104.081   6.565   5.350
  533    H    GLY 385           H        GLY 385 101.412   5.316   7.849
  534   1HA   GLY 385          1HA       GLY 385 100.840   3.786   5.510
  535   2HA   GLY 385          2HA       GLY 385 100.561   2.764   6.909
  536    H    ILE 386           H        ILE 386  98.328   2.839   5.992
  537    HA   ILE 386           HA       ILE 386  96.797   5.169   7.082
  538    HB   ILE 386           HB       ILE 386  97.279   5.419   4.677
  539   1HG1  ILE 386          1HG1      ILE 386  94.420   4.742   5.417
  540   2HG1  ILE 386          2HG1      ILE 386  95.182   6.330   5.423
  541   1HG2  ILE 386          1HG2      ILE 386  97.465   3.514   3.472
  542   2HG2  ILE 386          2HG2      ILE 386  95.701   3.445   3.469
  543   3HG2  ILE 386          3HG2      ILE 386  96.615   2.584   4.704
  544   1HD1  ILE 386          1HD1      ILE 386  94.607   6.630   3.273
  545   2HD1  ILE 386          2HD1      ILE 386  93.829   5.047   3.263
  546   3HD1  ILE 386          3HD1      ILE 386  95.530   5.196   2.821
  547    H    ASN 387           H        ASN 387  94.645   4.600   7.762
  548    HA   ASN 387           HA       ASN 387  93.965   1.674   7.625
  549   1HB   ASN 387          1HB       ASN 387  93.383   3.571   9.921
  550   2HB   ASN 387          2HB       ASN 387  93.259   1.812   9.922
  551   1HD2  ASN 387          1HD2      ASN 387  95.123   4.065  11.262
  552   2HD2  ASN 387          2HD2      ASN 387  96.649   3.332  11.178
  553    H    ILE 388           H        ILE 388  91.851   1.309   6.961
  554    HA   ILE 388           HA       ILE 388  89.865   3.474   7.298
  555    HB   ILE 388           HB       ILE 388  90.486   3.893   5.046
  556   1HG1  ILE 388          1HG1      ILE 388  88.361   1.769   4.673
  557   2HG1  ILE 388          2HG1      ILE 388  88.000   3.332   5.413
  558   1HG2  ILE 388          1HG2      ILE 388  90.425   0.938   4.468
  559   2HG2  ILE 388          2HG2      ILE 388  91.904   1.774   4.939
  560   3HG2  ILE 388          3HG2      ILE 388  91.072   2.220   3.450
  561   1HD1  ILE 388          1HD1      ILE 388  89.416   3.135   2.755
  562   2HD1  ILE 388          2HD1      ILE 388  88.563   4.514   3.444
  563   3HD1  ILE 388          3HD1      ILE 388  87.656   3.117   2.862
  564    H    ASP 389           H        ASP 389  87.734   2.652   7.311
  565    HA   ASP 389           HA       ASP 389  86.728   0.511   8.557
  566   1HB   ASP 389          1HB       ASP 389  86.117   1.667   5.847
  567   2HB   ASP 389          2HB       ASP 389  85.033   0.513   6.621
  568    H    ASN 390           H        ASN 390  87.309   0.263   5.079
  569    HA   ASN 390           HA       ASN 390  87.019  -2.653   5.252
  570   1HB   ASN 390          1HB       ASN 390  85.848  -1.028   3.686
  571   2HB   ASN 390          2HB       ASN 390  87.388  -0.865   2.840
  572   1HD2  ASN 390          1HD2      ASN 390  87.619  -2.295   1.120
  573   2HD2  ASN 390          2HD2      ASN 390  86.858  -3.807   0.995
  574    H    ARG 391           H        ARG 391  89.723  -0.589   5.225
  575    HA   ARG 391           HA       ARG 391  91.446  -2.852   4.304
  576   1HB   ARG 391          1HB       ARG 391  91.440  -0.011   3.239
  577   2HB   ARG 391          2HB       ARG 391  92.727  -1.161   2.921
  578   1HG   ARG 391          1HG       ARG 391  91.364  -2.518   1.596
  579   2HG   ARG 391          2HG       ARG 391  89.879  -1.902   2.316
  580   1HD   ARG 391          1HD       ARG 391  90.136  -0.971   0.057
  581   2HD   ARG 391          2HD       ARG 391  90.341   0.326   1.248
  582    HE   ARG 391           HE       ARG 391  92.905  -0.564   0.980
  583   1HH1  ARG 391          1HH1      ARG 391  90.433   0.262  -1.296
  584   2HH1  ARG 391          2HH1      ARG 391  91.552   0.738  -2.526
  585   1HH2  ARG 391          1HH2      ARG 391  94.364   0.060  -0.620
  586   2HH2  ARG 391          2HH2      ARG 391  93.771   0.627  -2.145
  587    H    MET 392           H        MET 392  93.455  -2.887   5.334
  588    HA   MET 392           HA       MET 392  94.273  -0.479   6.895
  589   1HB   MET 392          1HB       MET 392  94.081  -3.357   7.845
  590   2HB   MET 392          2HB       MET 392  95.082  -2.159   8.668
  591   1HG   MET 392          1HG       MET 392  93.094  -0.710   8.961
  592   2HG   MET 392          2HG       MET 392  92.096  -1.941   8.183
  593   1HE   MET 392          1HE       MET 392  90.516  -2.655  11.088
  594   2HE   MET 392          2HE       MET 392  90.853  -1.267  10.056
  595   3HE   MET 392          3HE       MET 392  91.387  -1.258  11.735
  596    H    ILE 393           H        ILE 393  96.090   0.055   5.689
  597    HA   ILE 393           HA       ILE 393  97.982  -2.179   5.007
  598    HB   ILE 393           HB       ILE 393  97.089   0.248   3.421
  599   1HG1  ILE 393          1HG1      ILE 393  96.616  -2.731   3.233
  600   2HG1  ILE 393          2HG1      ILE 393  95.420  -1.438   3.303
  601   1HG2  ILE 393          1HG2      ILE 393  98.728  -1.800   2.088
  602   2HG2  ILE 393          2HG2      ILE 393  99.592  -0.904   3.338
  603   3HG2  ILE 393          3HG2      ILE 393  98.835  -0.040   2.000
  604   1HD1  ILE 393          1HD1      ILE 393  95.350  -1.598   1.050
  605   2HD1  ILE 393          2HD1      ILE 393  96.839  -2.542   0.995
  606   3HD1  ILE 393          3HD1      ILE 393  96.913  -0.781   1.068
  607    H    ARG 394           H        ARG 394 100.200  -1.666   5.213
  608    HA   ARG 394           HA       ARG 394 100.855   1.117   6.082
  609   1HB   ARG 394          1HB       ARG 394 101.730  -1.471   7.386
  610   2HB   ARG 394          2HB       ARG 394 102.321   0.132   7.831
  611   1HG   ARG 394          1HG       ARG 394  99.822   0.746   8.126
  612   2HG   ARG 394          2HG       ARG 394  99.546  -0.998   8.148
  613   1HD   ARG 394          1HD       ARG 394 101.623  -0.856   9.862
  614   2HD   ARG 394          2HD       ARG 394 100.877   0.722  10.164
  615    HE   ARG 394           HE       ARG 394  98.851  -1.319  10.014
  616   1HH1  ARG 394          1HH1      ARG 394 101.359  -0.029  12.013
  617   2HH1  ARG 394          2HH1      ARG 394 100.606  -0.521  13.492
  618   1HH2  ARG 394          1HH2      ARG 394  97.865  -1.963  11.939
  619   2HH2  ARG 394          2HH2      ARG 394  98.633  -1.613  13.451
  620    H    LYS 395           H        LYS 395 103.135   1.638   5.780
  621    HA   LYS 395           HA       LYS 395 104.669  -0.217   4.025
  622   1HB   LYS 395          1HB       LYS 395 105.129   1.565   2.484
  623   2HB   LYS 395          2HB       LYS 395 103.396   1.663   2.795
  624   1HG   LYS 395          1HG       LYS 395 103.905   3.871   3.180
  625   2HG   LYS 395          2HG       LYS 395 104.283   3.255   4.789
  626   1HD   LYS 395          1HD       LYS 395 106.645   2.996   4.150
  627   2HD   LYS 395          2HD       LYS 395 106.279   3.591   2.531
  628   1HE   LYS 395          1HE       LYS 395 105.294   5.674   3.804
  629   2HE   LYS 395          2HE       LYS 395 106.329   5.110   5.131
  630   1HZ   LYS 395          1HZ       LYS 395 107.209   5.568   2.327
  631   2HZ   LYS 395          2HZ       LYS 395 108.193   5.016   3.597
  632   3HZ   LYS 395          3HZ       LYS 395 107.548   6.587   3.640
  633    H    GLY 396           H        GLY 396 106.671  -0.490   4.930
  634   1HA   GLY 396          1HA       GLY 396 107.900   1.727   6.467
  635   2HA   GLY 396          2HA       GLY 396 107.506   0.254   7.356
  636    H    SER 397           H        SER 397 110.095   0.867   7.388
  637    HA   SER 397           HA       SER 397 111.731  -0.297   5.318
  638   1HB   SER 397          1HB       SER 397 112.049  -0.280   8.343
  639   2HB   SER 397          2HB       SER 397 113.342  -0.528   7.173
  640    HG   SER 397           HG       SER 397 113.038   1.566   6.446
  641    H    VAL 398           H        VAL 398 112.399  -2.510   5.131
  642    HA   VAL 398           HA       VAL 398 110.407  -4.463   5.475
  643    HB   VAL 398           HB       VAL 398 113.406  -4.507   5.145
  644   1HG1  VAL 398          1HG1      VAL 398 113.264  -6.924   4.729
  645   2HG1  VAL 398          2HG1      VAL 398 111.542  -6.903   5.116
  646   3HG1  VAL 398          3HG1      VAL 398 112.733  -6.557   6.373
  647   1HG2  VAL 398          1HG2      VAL 398 111.710  -5.724   3.107
  648   2HG2  VAL 398          2HG2      VAL 398 112.893  -4.426   2.949
  649   3HG2  VAL 398          3HG2      VAL 398 111.243  -4.057   3.439
  650    H    ASP 399           H        ASP 399 113.072  -3.559   7.620
  651    HA   ASP 399           HA       ASP 399 112.710  -5.666   9.540
  652   1HB   ASP 399          1HB       ASP 399 113.773  -2.836   9.661
  653   2HB   ASP 399          2HB       ASP 399 113.907  -3.969  11.005
  654    H    ALA 400           H        ALA 400 111.322  -2.367   9.325
  655    HA   ALA 400           HA       ALA 400 109.777  -2.564  11.764
  656   1HB   ALA 400          1HB       ALA 400 109.026  -0.450  11.119
  657   2HB   ALA 400          2HB       ALA 400 108.958  -0.885   9.412
  658   3HB   ALA 400          3HB       ALA 400 110.513  -0.559  10.178
  659    H    ILE 401           H        ILE 401 108.843  -2.916   8.326
  660    HA   ILE 401           HA       ILE 401 106.112  -3.548   8.865
  661    HB   ILE 401           HB       ILE 401 107.934  -4.294   6.561
  662   1HG1  ILE 401          1HG1      ILE 401 107.914  -1.890   6.953
  663   2HG1  ILE 401          2HG1      ILE 401 106.923  -2.239   5.539
  664   1HG2  ILE 401          1HG2      ILE 401 105.170  -3.810   5.895
  665   2HG2  ILE 401          2HG2      ILE 401 105.280  -5.053   7.145
  666   3HG2  ILE 401          3HG2      ILE 401 106.138  -5.259   5.618
  667   1HD1  ILE 401          1HD1      ILE 401 105.264  -1.100   6.562
  668   2HD1  ILE 401          2HD1      ILE 401 106.144  -1.065   8.090
  669   3HD1  ILE 401          3HD1      ILE 401 105.147  -2.461   7.678
  670    H    ARG 402           H        ARG 402 108.923  -5.663   8.313
  671    HA   ARG 402           HA       ARG 402 107.574  -8.155   8.365
  672   1HB   ARG 402          1HB       ARG 402 109.824  -8.031   7.610
  673   2HB   ARG 402          2HB       ARG 402 110.344  -7.161   9.053
  674   1HG   ARG 402          1HG       ARG 402 110.454  -9.068  10.334
  675   2HG   ARG 402          2HG       ARG 402 109.177  -9.879   9.431
  676   1HD   ARG 402          1HD       ARG 402 111.139 -11.030   8.756
  677   2HD   ARG 402          2HD       ARG 402 110.899  -9.844   7.456
  678    HE   ARG 402           HE       ARG 402 112.393  -8.460   9.330
  679   1HH1  ARG 402          1HH1      ARG 402 112.688 -11.476   7.666
  680   2HH1  ARG 402          2HH1      ARG 402 114.419 -11.447   7.659
  681   1HH2  ARG 402          1HH2      ARG 402 114.649  -8.417   9.324
  682   2HH2  ARG 402          2HH2      ARG 402 115.527  -9.720   8.595
  683    H    ARG 403           H        ARG 403 109.003  -6.246  11.014
  684    HA   ARG 403           HA       ARG 403 108.274  -8.038  13.153
  685   1HB   ARG 403          1HB       ARG 403 108.607  -5.024  12.970
  686   2HB   ARG 403          2HB       ARG 403 108.508  -5.922  14.484
  687   1HG   ARG 403          1HG       ARG 403 110.527  -7.138  13.981
  688   2HG   ARG 403          2HG       ARG 403 110.578  -6.477  12.346
  689   1HD   ARG 403          1HD       ARG 403 110.771  -4.177  13.349
  690   2HD   ARG 403          2HD       ARG 403 110.933  -4.945  14.941
  691    HE   ARG 403           HE       ARG 403 112.771  -6.291  13.349
  692   1HH1  ARG 403          1HH1      ARG 403 112.119  -3.001  14.186
  693   2HH1  ARG 403          2HH1      ARG 403 113.772  -2.505  14.046
  694   1HH2  ARG 403          1HH2      ARG 403 114.927  -5.652  13.165
  695   2HH2  ARG 403          2HH2      ARG 403 115.359  -4.002  13.469
  696    H    HIS 404           H        HIS 404 106.582  -5.444  11.416
  697    HA   HIS 404           HA       HIS 404 104.269  -5.352  13.128
  698   1HB   HIS 404          1HB       HIS 404 104.699  -3.512  11.748
  699   2HB   HIS 404          2HB       HIS 404 105.014  -4.513  10.336
  700    HD1  HIS 404           HD1      HIS 404 102.846  -5.805   9.365
  701    HD2  HIS 404           HD2      HIS 404 102.073  -2.595  11.906
  702    HE1  HIS 404           HE1      HIS 404 100.423  -5.160   8.986
  703    H    VAL 405           H        VAL 405 104.994  -7.277  10.194
  704    HA   VAL 405           HA       VAL 405 102.337  -8.368   9.928
  705    HB   VAL 405           HB       VAL 405 105.099  -9.298   9.098
  706   1HG1  VAL 405          1HG1      VAL 405 103.795 -10.739   7.466
  707   2HG1  VAL 405          2HG1      VAL 405 102.354 -10.390   8.421
  708   3HG1  VAL 405          3HG1      VAL 405 103.704 -11.263   9.147
  709   1HG2  VAL 405          1HG2      VAL 405 104.171  -8.535   6.848
  710   2HG2  VAL 405          2HG2      VAL 405 104.472  -7.250   8.018
  711   3HG2  VAL 405          3HG2      VAL 405 102.827  -7.825   7.744
  712    H    GLU 406           H        GLU 406 105.285  -9.628  11.516
  713    HA   GLU 406           HA       GLU 406 104.050 -12.023  12.495
  714   1HB   GLU 406          1HB       GLU 406 106.384 -10.349  13.475
  715   2HB   GLU 406          2HB       GLU 406 106.035 -11.986  14.033
  716   1HG   GLU 406          1HG       GLU 406 106.205 -12.796  11.686
  717   2HG   GLU 406          2HG       GLU 406 106.637 -11.164  11.176
  718    H    ALA 407           H        ALA 407 104.236  -8.716  13.805
  719    HA   ALA 407           HA       ALA 407 103.167  -9.370  16.406
  720   1HB   ALA 407          1HB       ALA 407 103.105  -7.022  16.658
  721   2HB   ALA 407          2HB       ALA 407 102.769  -6.764  14.946
  722   3HB   ALA 407          3HB       ALA 407 104.382  -7.255  15.463
  723    H    ASN 408           H        ASN 408 101.740  -8.509  13.307
  724    HA   ASN 408           HA       ASN 408  98.984  -8.350  14.124
  725   1HB   ASN 408          1HB       ASN 408 100.584  -8.844  11.632
  726   2HB   ASN 408          2HB       ASN 408  98.847  -9.131  11.585
  727   1HD2  ASN 408          1HD2      ASN 408 101.324  -6.645  11.843
  728   2HD2  ASN 408          2HD2      ASN 408 100.271  -5.317  11.763
  729    H    GLY 409           H        GLY 409 101.230 -10.931  13.499
  730   1HA   GLY 409          1HA       GLY 409 100.859 -13.263  14.142
  731   2HA   GLY 409          2HA       GLY 409  99.120 -12.964  14.043
  732    H    GLY 410           H        GLY 410 101.077 -11.499  11.638
  733   1HA   GLY 410          1HA       GLY 410 100.029 -13.505   9.661
  734   2HA   GLY 410          2HA       GLY 410 100.275 -11.804   9.280
  735    H    HIS 411           H        HIS 411 101.531 -12.968   7.456
  736    HA   HIS 411           HA       HIS 411 104.379 -13.275   8.300
  737   1HB   HIS 411          1HB       HIS 411 102.735 -15.238   6.667
  738   2HB   HIS 411          2HB       HIS 411 104.456 -15.400   7.014
  739    HD1  HIS 411           HD1      HIS 411 105.006 -15.345   9.738
  740    HD2  HIS 411           HD2      HIS 411 101.155 -16.445   8.582
  741    HE1  HIS 411           HE1      HIS 411 103.978 -16.542  11.719
  742    H    PHE 412           H        PHE 412 105.892 -12.987   6.568
  743    HA   PHE 412           HA       PHE 412 104.784 -11.589   4.149
  744   1HB   PHE 412          1HB       PHE 412 107.240 -10.720   4.124
  745   2HB   PHE 412          2HB       PHE 412 106.155 -10.092   5.362
  746    HD1  PHE 412           HD1      PHE 412 106.431 -10.656   7.697
  747    HD2  PHE 412           HD2      PHE 412 108.952 -12.425   4.694
  748    HE1  PHE 412           HE1      PHE 412 107.939 -11.517   9.468
  749    HE2  PHE 412           HE2      PHE 412 110.463 -13.277   6.470
  750    HZ   PHE 412           HZ       PHE 412 109.956 -12.826   8.855
  751    HA   PRO 413           HA       PRO 413 106.211 -14.885   1.697
  752   1HB   PRO 413          1HB       PRO 413 106.855 -13.230  -0.559
  753   2HB   PRO 413          2HB       PRO 413 105.385 -14.180  -0.291
  754   1HG   PRO 413          1HG       PRO 413 105.607 -11.407  -0.292
  755   2HG   PRO 413          2HG       PRO 413 104.216 -12.352   0.247
  756   1HD   PRO 413          1HD       PRO 413 106.210 -10.903   1.836
  757   2HD   PRO 413          2HD       PRO 413 104.598 -11.475   2.296
  758    H    THR 414           H        THR 414 108.189 -15.871   1.714
  759    HA   THR 414           HA       THR 414 110.603 -14.465   2.328
  760    HB   THR 414           HB       THR 414 110.360 -16.717   2.951
  761    HG1  THR 414           HG1      THR 414 112.209 -17.554   2.156
  762   1HG2  THR 414          1HG2      THR 414 110.354 -18.126   0.458
  763   2HG2  THR 414          2HG2      THR 414 109.023 -16.970   0.463
  764   3HG2  THR 414          3HG2      THR 414 109.149 -18.174   1.743
  765    H    ASP 415           H        ASP 415 109.256 -15.597  -0.768
  766    HA   ASP 415           HA       ASP 415 111.607 -15.185  -2.353
  767   1HB   ASP 415          1HB       ASP 415 108.631 -15.016  -2.944
  768   2HB   ASP 415          2HB       ASP 415 109.880 -15.032  -4.190
  769    H    VAL 416           H        VAL 416 109.071 -13.057  -1.164
  770    HA   VAL 416           HA       VAL 416 110.038 -10.760  -2.731
  771    HB   VAL 416           HB       VAL 416 107.966 -11.228  -0.589
  772   1HG1  VAL 416          1HG1      VAL 416 108.494  -8.668  -2.131
  773   2HG1  VAL 416          2HG1      VAL 416 108.947  -8.918  -0.443
  774   3HG1  VAL 416          3HG1      VAL 416 107.245  -8.928  -0.913
  775   1HG2  VAL 416          1HG2      VAL 416 108.136 -11.360  -3.490
  776   2HG2  VAL 416          2HG2      VAL 416 106.869 -10.244  -2.967
  777   3HG2  VAL 416          3HG2      VAL 416 106.853 -11.925  -2.419
  778    H    ASP 417           H        ASP 417 110.114 -11.817   0.670
  779    HA   ASP 417           HA       ASP 417 111.597  -9.594   1.722
  780   1HB   ASP 417          1HB       ASP 417 110.510 -11.507   2.982
  781   2HB   ASP 417          2HB       ASP 417 111.827 -12.542   2.429
  782    H    GLN 418           H        GLN 418 112.624 -12.510  -0.052
  783    HA   GLN 418           HA       GLN 418 115.467 -11.921   0.035
  784   1HB   GLN 418          1HB       GLN 418 113.647 -13.446  -1.856
  785   2HB   GLN 418          2HB       GLN 418 115.404 -13.415  -2.030
  786   1HG   GLN 418          1HG       GLN 418 115.629 -14.302   0.278
  787   2HG   GLN 418          2HG       GLN 418 113.872 -14.389   0.401
  788   1HE2  GLN 418          1HE2      GLN 418 112.830 -16.200  -0.543
  789   2HE2  GLN 418          2HE2      GLN 418 113.647 -17.407  -1.412
  790    H    LYS 419           H        LYS 419 112.909 -11.162  -2.393
  791    HA   LYS 419           HA       LYS 419 114.544  -9.673  -4.185
  792   1HB   LYS 419          1HB       LYS 419 111.635  -9.514  -3.363
  793   2HB   LYS 419          2HB       LYS 419 112.297  -8.542  -4.678
  794   1HG   LYS 419          1HG       LYS 419 113.072 -10.612  -5.801
  795   2HG   LYS 419          2HG       LYS 419 112.353 -11.569  -4.508
  796   1HD   LYS 419          1HD       LYS 419 110.134 -10.560  -5.045
  797   2HD   LYS 419          2HD       LYS 419 110.881  -9.717  -6.403
  798   1HE   LYS 419          1HE       LYS 419 111.326 -11.743  -7.565
  799   2HE   LYS 419          2HE       LYS 419 111.064 -12.726  -6.110
  800   1HZ   LYS 419          1HZ       LYS 419 108.761 -11.560  -6.132
  801   2HZ   LYS 419          2HZ       LYS 419 109.030 -12.897  -7.145
  802   3HZ   LYS 419          3HZ       LYS 419 109.087 -11.322  -7.779
  803    H    VAL 420           H        VAL 420 112.993  -8.734  -1.153
  804    HA   VAL 420           HA       VAL 420 113.618  -5.921  -1.181
  805    HB   VAL 420           HB       VAL 420 113.048  -8.084   0.829
  806   1HG1  VAL 420          1HG1      VAL 420 113.332  -6.543   2.692
  807   2HG1  VAL 420          2HG1      VAL 420 113.841  -5.260   1.594
  808   3HG1  VAL 420          3HG1      VAL 420 114.863  -6.677   1.827
  809   1HG2  VAL 420          1HG2      VAL 420 111.433  -6.513  -0.591
  810   2HG2  VAL 420          2HG2      VAL 420 111.727  -5.413   0.754
  811   3HG2  VAL 420          3HG2      VAL 420 111.029  -7.004   1.052
  812    H    ASP 421           H        ASP 421 115.375  -8.829  -0.163
  813    HA   ASP 421           HA       ASP 421 117.653  -7.471   0.949
  814   1HB   ASP 421          1HB       ASP 421 116.879  -9.896   1.228
  815   2HB   ASP 421          2HB       ASP 421 117.551 -10.205  -0.373
  816    H    GLN 422           H        GLN 422 116.847  -8.609  -2.271
  817    HA   GLN 422           HA       GLN 422 119.402  -8.092  -3.511
  818   1HB   GLN 422          1HB       GLN 422 116.570  -8.185  -4.606
  819   2HB   GLN 422          2HB       GLN 422 118.047  -8.405  -5.550
  820   1HG   GLN 422          1HG       GLN 422 118.620 -10.388  -4.205
  821   2HG   GLN 422          2HG       GLN 422 117.159 -10.160  -3.239
  822   1HE2  GLN 422          1HE2      GLN 422 117.569 -12.568  -4.733
  823   2HE2  GLN 422          2HE2      GLN 422 116.429 -12.622  -5.990
  824    H    VAL 423           H        VAL 423 116.472  -6.145  -3.014
  825    HA   VAL 423           HA       VAL 423 117.259  -3.865  -4.586
  826    HB   VAL 423           HB       VAL 423 115.506  -4.260  -2.141
  827   1HG1  VAL 423          1HG1      VAL 423 116.450  -1.885  -2.527
  828   2HG1  VAL 423          2HG1      VAL 423 114.700  -2.049  -2.384
  829   3HG1  VAL 423          3HG1      VAL 423 115.442  -1.864  -3.973
  830   1HG2  VAL 423          1HG2      VAL 423 114.909  -5.364  -4.357
  831   2HG2  VAL 423          2HG2      VAL 423 114.744  -3.740  -5.026
  832   3HG2  VAL 423          3HG2      VAL 423 113.689  -4.264  -3.714
  833    H    ALA 424           H        ALA 424 117.903  -4.857  -1.241
  834    HA   ALA 424           HA       ALA 424 119.228  -2.424  -0.427
  835   1HB   ALA 424          1HB       ALA 424 120.266  -4.481   1.095
  836   2HB   ALA 424          2HB       ALA 424 118.748  -5.173   0.522
  837   3HB   ALA 424          3HB       ALA 424 118.743  -3.658   1.427
  838    H    ARG 425           H        ARG 425 120.463  -5.542  -1.691
  839    HA   ARG 425           HA       ARG 425 123.218  -4.834  -1.408
  840   1HB   ARG 425          1HB       ARG 425 123.575  -6.959  -2.305
  841   2HB   ARG 425          2HB       ARG 425 121.911  -7.111  -1.747
  842   1HG   ARG 425          1HG       ARG 425 121.129  -6.513  -4.042
  843   2HG   ARG 425          2HG       ARG 425 122.808  -6.498  -4.578
  844   1HD   ARG 425          1HD       ARG 425 121.364  -8.889  -3.374
  845   2HD   ARG 425          2HD       ARG 425 121.797  -8.687  -5.084
  846    HE   ARG 425           HE       ARG 425 123.641  -9.389  -2.945
  847   1HH1  ARG 425          1HH1      ARG 425 123.240  -7.725  -5.949
  848   2HH1  ARG 425          2HH1      ARG 425 124.906  -7.869  -6.396
  849   1HH2  ARG 425          1HH2      ARG 425 125.815  -9.579  -3.522
  850   2HH2  ARG 425          2HH2      ARG 425 126.361  -8.916  -5.026
  851    H    GLN 426           H        GLN 426 120.902  -4.194  -3.955
  852    HA   GLN 426           HA       GLN 426 122.974  -3.324  -5.868
  853   1HB   GLN 426          1HB       GLN 426 121.146  -4.218  -6.984
  854   2HB   GLN 426          2HB       GLN 426 120.011  -3.709  -5.737
  855   1HG   GLN 426          1HG       GLN 426 119.759  -1.595  -6.633
  856   2HG   GLN 426          2HG       GLN 426 121.363  -1.598  -7.361
  857   1HE2  GLN 426          1HE2      GLN 426 121.188  -1.647  -9.606
  858   2HE2  GLN 426          2HE2      GLN 426 120.031  -2.532 -10.477
  859    H    GLY 427           H        GLY 427 121.576  -2.056  -3.102
  860   1HA   GLY 427          1HA       GLY 427 122.182   0.089  -2.213
  861   2HA   GLY 427          2HA       GLY 427 122.508   0.646  -3.855
  862    H    ALA 428           H        ALA 428 119.567  -1.088  -3.314
  863    HA   ALA 428           HA       ALA 428 118.044   1.478  -3.616
  864   1HB   ALA 428          1HB       ALA 428 116.248  -0.222  -4.360
  865   2HB   ALA 428          2HB       ALA 428 117.553  -1.410  -4.363
  866   3HB   ALA 428          3HB       ALA 428 117.636  -0.004  -5.426
  867    H    THR 429           H        THR 429 115.936   1.531  -2.388
  868    HA   THR 429           HA       THR 429 116.324   0.250   0.314
  869    HB   THR 429           HB       THR 429 114.722   2.689  -0.542
  870    HG1  THR 429           HG1      THR 429 117.385   2.326   0.294
  871   1HG2  THR 429          1HG2      THR 429 113.889   2.030   1.546
  872   2HG2  THR 429          2HG2      THR 429 115.160   3.171   1.985
  873   3HG2  THR 429          3HG2      THR 429 115.458   1.436   2.091
  874    HA   PRO 430           HA       PRO 430 112.596  -1.913  -1.051
  875   1HB   PRO 430          1HB       PRO 430 112.832  -3.910   0.799
  876   2HB   PRO 430          2HB       PRO 430 113.682  -3.919  -0.757
  877   1HG   PRO 430          1HG       PRO 430 114.706  -3.305   1.952
  878   2HG   PRO 430          2HG       PRO 430 115.529  -4.045   0.572
  879   1HD   PRO 430          1HD       PRO 430 115.837  -1.419   1.383
  880   2HD   PRO 430          2HD       PRO 430 116.219  -2.038  -0.240
  881    H    LEU 431           H        LEU 431 110.909  -0.680  -0.297
  882    HA   LEU 431           HA       LEU 431 110.326  -0.622   2.630
  883   1HB   LEU 431          1HB       LEU 431 108.796   0.566   0.287
  884   2HB   LEU 431          2HB       LEU 431 108.551   0.926   1.994
  885    HG   LEU 431           HG       LEU 431 110.868   1.702   0.227
  886   1HD1  LEU 431          1HD1      LEU 431 108.996   3.254   0.328
  887   2HD1  LEU 431          2HD1      LEU 431 110.352   3.934   1.228
  888   3HD1  LEU 431          3HD1      LEU 431 109.002   3.196   2.091
  889   1HD2  LEU 431          1HD2      LEU 431 111.896   0.792   2.236
  890   2HD2  LEU 431          2HD2      LEU 431 110.741   1.643   3.262
  891   3HD2  LEU 431          3HD2      LEU 431 111.946   2.551   2.348
  892    H    VAL 432           H        VAL 432 108.823  -2.099   3.401
  893    HA   VAL 432           HA       VAL 432 107.487  -3.853   1.394
  894    HB   VAL 432           HB       VAL 432 107.897  -4.072   4.395
  895   1HG1  VAL 432          1HG1      VAL 432 106.918  -6.262   4.241
  896   2HG1  VAL 432          2HG1      VAL 432 106.857  -6.178   2.481
  897   3HG1  VAL 432          3HG1      VAL 432 105.794  -5.158   3.449
  898   1HG2  VAL 432          1HG2      VAL 432 109.735  -4.436   2.400
  899   2HG2  VAL 432          2HG2      VAL 432 109.039  -6.052   2.516
  900   3HG2  VAL 432          3HG2      VAL 432 109.767  -5.302   3.936
  901    H    VAL 433           H        VAL 433 105.285  -3.709   1.123
  902    HA   VAL 433           HA       VAL 433 103.790  -1.986   3.054
  903    HB   VAL 433           HB       VAL 433 103.560  -2.436   0.070
  904   1HG1  VAL 433          1HG1      VAL 433 101.448  -1.298   0.066
  905   2HG1  VAL 433          2HG1      VAL 433 101.580  -0.910   1.781
  906   3HG1  VAL 433          3HG1      VAL 433 101.311  -2.576   1.272
  907   1HG2  VAL 433          1HG2      VAL 433 104.948  -0.573   1.463
  908   2HG2  VAL 433          2HG2      VAL 433 103.381   0.235   1.375
  909   3HG2  VAL 433          3HG2      VAL 433 104.216  -0.239  -0.106
  910    H    VAL 434           H        VAL 434 102.017  -2.930   3.992
  911    HA   VAL 434           HA       VAL 434 101.383  -5.729   3.158
  912    HB   VAL 434           HB       VAL 434 100.784  -5.872   5.673
  913   1HG1  VAL 434          1HG1      VAL 434 103.496  -5.729   6.067
  914   2HG1  VAL 434          2HG1      VAL 434 103.387  -5.913   4.316
  915   3HG1  VAL 434          3HG1      VAL 434 102.647  -7.114   5.377
  916   1HG2  VAL 434          1HG2      VAL 434 100.915  -3.327   5.901
  917   2HG2  VAL 434          2HG2      VAL 434 102.667  -3.510   5.814
  918   3HG2  VAL 434          3HG2      VAL 434 101.768  -4.256   7.135
  919    H    GLU 435           H        GLU 435  99.186  -6.377   3.620
  920    HA   GLU 435           HA       GLU 435  97.260  -4.200   4.192
  921   1HB   GLU 435          1HB       GLU 435  96.916  -4.240   1.904
  922   2HB   GLU 435          2HB       GLU 435  97.582  -5.862   1.732
  923   1HG   GLU 435          1HG       GLU 435  95.495  -6.782   2.740
  924   2HG   GLU 435          2HG       GLU 435  94.825  -5.150   2.786
  925    H    GLY 436           H        GLY 436  95.824  -4.935   5.727
  926   1HA   GLY 436          1HA       GLY 436  94.860  -6.402   7.300
  927   2HA   GLY 436          2HA       GLY 436  95.187  -7.740   6.193
  928    H    SER 437           H        SER 437  96.553  -9.188   7.144
  929    HA   SER 437           HA       SER 437  98.661  -8.140   8.998
  930   1HB   SER 437          1HB       SER 437  98.524 -10.757   9.549
  931   2HB   SER 437          2HB       SER 437  97.382  -9.610  10.236
  932    HG   SER 437           HG       SER 437  95.990 -10.903   9.302
  933    H    ARG 438           H        ARG 438  98.564  -8.860   5.842
  934    HA   ARG 438           HA       ARG 438 101.105 -10.456   5.938
  935   1HB   ARG 438          1HB       ARG 438 100.307 -11.613   3.980
  936   2HB   ARG 438          2HB       ARG 438  98.973 -11.593   5.134
  937   1HG   ARG 438          1HG       ARG 438  98.172  -9.470   3.978
  938   2HG   ARG 438          2HG       ARG 438  99.350  -9.818   2.715
  939   1HD   ARG 438          1HD       ARG 438  98.292 -12.059   2.384
  940   2HD   ARG 438          2HD       ARG 438  97.049 -11.609   3.569
  941    HE   ARG 438           HE       ARG 438  97.419  -9.613   1.467
  942   1HH1  ARG 438          1HH1      ARG 438  95.842 -12.526   2.453
  943   2HH1  ARG 438          2HH1      ARG 438  94.492 -12.304   1.392
  944   1HH2  ARG 438          1HH2      ARG 438  95.662  -9.317   0.082
  945   2HH2  ARG 438          2HH2      ARG 438  94.390 -10.492   0.052
  946    H    VAL 439           H        VAL 439 102.366 -10.148   3.819
  947    HA   VAL 439           HA       VAL 439 102.564  -7.248   3.262
  948    HB   VAL 439           HB       VAL 439 104.184  -9.639   2.328
  949   1HG1  VAL 439          1HG1      VAL 439 105.855  -8.063   1.663
  950   2HG1  VAL 439          2HG1      VAL 439 104.974  -6.725   2.402
  951   3HG1  VAL 439          3HG1      VAL 439 104.331  -7.517   0.963
  952   1HG2  VAL 439          1HG2      VAL 439 104.501  -7.747   4.672
  953   2HG2  VAL 439          2HG2      VAL 439 105.807  -8.775   4.081
  954   3HG2  VAL 439          3HG2      VAL 439 104.336  -9.502   4.726
  955    H    LEU 440           H        LEU 440 101.862  -6.368   1.364
  956    HA   LEU 440           HA       LEU 440 100.648  -8.166  -0.656
  957   1HB   LEU 440          1HB       LEU 440  99.925  -5.862  -1.623
  958   2HB   LEU 440          2HB       LEU 440  99.162  -6.445  -0.160
  959    HG   LEU 440           HG       LEU 440 100.824  -5.036   1.144
  960   1HD1  LEU 440          1HD1      LEU 440 101.905  -4.722  -1.474
  961   2HD1  LEU 440          2HD1      LEU 440 102.465  -3.953   0.009
  962   3HD1  LEU 440          3HD1      LEU 440 101.250  -3.158  -0.993
  963   1HD2  LEU 440          1HD2      LEU 440  98.875  -3.785  -0.771
  964   2HD2  LEU 440          2HD2      LEU 440  99.616  -2.926   0.577
  965   3HD2  LEU 440          3HD2      LEU 440  98.567  -4.308   0.883
  966    H    GLY 441           H        GLY 441 103.428  -6.173  -0.099
  967   1HA   GLY 441          1HA       GLY 441 104.965  -7.478  -1.997
  968   2HA   GLY 441          2HA       GLY 441 104.313  -6.126  -2.894
  969    H    VAL 442           H        VAL 442 106.959  -6.066  -2.776
  970    HA   VAL 442           HA       VAL 442 107.655  -4.113  -0.604
  971    HB   VAL 442           HB       VAL 442 109.470  -5.664  -2.487
  972   1HG1  VAL 442          1HG1      VAL 442 110.234  -3.398  -1.501
  973   2HG1  VAL 442          2HG1      VAL 442 111.296  -4.782  -1.246
  974   3HG1  VAL 442          3HG1      VAL 442 110.247  -4.225   0.060
  975   1HG2  VAL 442          1HG2      VAL 442 108.078  -6.852  -0.533
  976   2HG2  VAL 442          2HG2      VAL 442 109.369  -6.173   0.460
  977   3HG2  VAL 442          3HG2      VAL 442 109.760  -7.283  -0.854
  978    H    ILE 443           H        ILE 443 108.272  -2.074  -1.235
  979    HA   ILE 443           HA       ILE 443 108.205  -1.391  -4.139
  980    HB   ILE 443           HB       ILE 443 108.105   0.278  -1.599
  981   1HG1  ILE 443          1HG1      ILE 443 105.917  -0.386  -3.600
  982   2HG1  ILE 443          2HG1      ILE 443 106.095  -1.149  -2.020
  983   1HG2  ILE 443          1HG2      ILE 443 108.834   1.861  -3.092
  984   2HG2  ILE 443          2HG2      ILE 443 107.134   1.877  -3.563
  985   3HG2  ILE 443          3HG2      ILE 443 108.299   0.935  -4.494
  986   1HD1  ILE 443          1HD1      ILE 443 105.526   1.766  -2.602
  987   2HD1  ILE 443          2HD1      ILE 443 105.995   1.178  -1.007
  988   3HD1  ILE 443          3HD1      ILE 443 104.495   0.620  -1.746
  989    H    ALA 444           H        ALA 444 110.312  -1.609  -4.923
  990    HA   ALA 444           HA       ALA 444 112.589  -1.105  -3.106
  991   1HB   ALA 444          1HB       ALA 444 113.863  -2.087  -4.956
  992   2HB   ALA 444          2HB       ALA 444 112.465  -1.956  -6.023
  993   3HB   ALA 444          3HB       ALA 444 112.432  -3.072  -4.658
  994    H    LEU 445           H        LEU 445 113.364   0.923  -2.969
  995    HA   LEU 445           HA       LEU 445 112.801   2.871  -5.138
  996   1HB   LEU 445          1HB       LEU 445 114.065   3.424  -2.451
  997   2HB   LEU 445          2HB       LEU 445 113.057   4.487  -3.422
  998    HG   LEU 445           HG       LEU 445 111.811   1.944  -2.433
  999   1HD1  LEU 445          1HD1      LEU 445 112.506   2.414  -0.324
 1000   2HD1  LEU 445          2HD1      LEU 445 111.252   3.653  -0.391
 1001   3HD1  LEU 445          3HD1      LEU 445 112.931   4.077  -0.727
 1002   1HD2  LEU 445          1HD2      LEU 445 109.917   3.628  -2.048
 1003   2HD2  LEU 445          2HD2      LEU 445 110.378   3.344  -3.728
 1004   3HD2  LEU 445          3HD2      LEU 445 110.930   4.800  -2.898
 1005    H    LYS 446           H        LYS 446 114.550   3.927  -6.226
 1006    HA   LYS 446           HA       LYS 446 117.251   2.779  -5.613
 1007   1HB   LYS 446          1HB       LYS 446 115.892   3.519  -8.210
 1008   2HB   LYS 446          2HB       LYS 446 117.607   3.119  -8.097
 1009   1HG   LYS 446          1HG       LYS 446 116.951   0.945  -7.012
 1010   2HG   LYS 446          2HG       LYS 446 115.269   1.336  -7.376
 1011   1HD   LYS 446          1HD       LYS 446 115.771   1.431  -9.764
 1012   2HD   LYS 446          2HD       LYS 446 117.482   1.146  -9.439
 1013   1HE   LYS 446          1HE       LYS 446 117.159  -1.092  -8.962
 1014   2HE   LYS 446          2HE       LYS 446 115.514  -0.830  -8.351
 1015   1HZ   LYS 446          1HZ       LYS 446 114.978  -1.626 -10.392
 1016   2HZ   LYS 446          2HZ       LYS 446 116.443  -1.139 -11.101
 1017   3HZ   LYS 446          3HZ       LYS 446 115.205  -0.005 -10.838
 1018    H    ASP 447           H        ASP 447 119.074   4.155  -6.191
 1019    HA   ASP 447           HA       ASP 447 118.606   6.972  -5.437
 1020   1HB   ASP 447          1HB       ASP 447 120.436   5.507  -4.530
 1021   2HB   ASP 447          2HB       ASP 447 121.149   5.475  -6.143
 1022    H    ILE 448           H        ILE 448 119.136   8.753  -6.796
 1023    HA   ILE 448           HA       ILE 448 119.400   8.076  -9.705
 1024    HB   ILE 448           HB       ILE 448 117.271   9.143  -8.739
 1025   1HG1  ILE 448          1HG1      ILE 448 117.142  10.800 -10.630
 1026   2HG1  ILE 448          2HG1      ILE 448 118.861  10.531 -10.918
 1027   1HG2  ILE 448          1HG2      ILE 448 117.453  11.627  -8.423
 1028   2HG2  ILE 448          2HG2      ILE 448 119.208  11.462  -8.495
 1029   3HG2  ILE 448          3HG2      ILE 448 118.304  10.701  -7.186
 1030   1HD1  ILE 448          1HD1      ILE 448 118.456   8.158 -11.338
 1031   2HD1  ILE 448          2HD1      ILE 448 117.423   9.126 -12.391
 1032   3HD1  ILE 448          3HD1      ILE 448 116.746   8.358 -10.954
 1033    H    VAL 449           H        VAL 449 120.781   9.479 -10.966
 1034    HA   VAL 449           HA       VAL 449 122.967  10.693  -9.341
 1035    HB   VAL 449           HB       VAL 449 122.819   9.850 -12.253
 1036   1HG1  VAL 449          1HG1      VAL 449 124.729  11.384 -10.805
 1037   2HG1  VAL 449          2HG1      VAL 449 124.866  10.762 -12.450
 1038   3HG1  VAL 449          3HG1      VAL 449 125.444   9.797 -11.091
 1039   1HG2  VAL 449          1HG2      VAL 449 124.450   8.052 -11.034
 1040   2HG2  VAL 449          2HG2      VAL 449 122.723   7.785 -11.268
 1041   3HG2  VAL 449          3HG2      VAL 449 123.321   8.385  -9.721
 1042    H    LYS 450           H        LYS 450 123.367  12.881  -9.463
 1043    HA   LYS 450           HA       LYS 450 122.350  14.409 -11.800
 1044   1HB   LYS 450          1HB       LYS 450 121.766  15.028  -8.883
 1045   2HB   LYS 450          2HB       LYS 450 121.370  16.094 -10.232
 1046   1HG   LYS 450          1HG       LYS 450 119.990  14.260 -11.221
 1047   2HG   LYS 450          2HG       LYS 450 120.311  13.289  -9.784
 1048   1HD   LYS 450          1HD       LYS 450 119.310  15.099  -8.385
 1049   2HD   LYS 450          2HD       LYS 450 118.897  15.970  -9.863
 1050   1HE   LYS 450          1HE       LYS 450 117.326  14.330 -10.534
 1051   2HE   LYS 450          2HE       LYS 450 117.998  13.113  -9.430
 1052   1HZ   LYS 450          1HZ       LYS 450 116.821  15.681  -8.520
 1053   2HZ   LYS 450          2HZ       LYS 450 117.279  14.359  -7.557
 1054   3HZ   LYS 450          3HZ       LYS 450 115.941  14.233  -8.597
 1055    H    GLY 451           H        GLY 451 123.647  16.236 -12.254
 1056   1HA   GLY 451          1HA       GLY 451 126.188  16.361 -10.710
 1057   2HA   GLY 451          2HA       GLY 451 125.958  16.982 -12.346