*HEADER    CYTOKINE                                20-OCT-00   1G2S              
*TITLE     SOLUTION STRUCTURE OF EOTAXIN-3                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: EOTAXIN-3;                                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: SMALL INDUCIBLE CYTOKINE A26, MACROPHAGE                    
*COMPND   5 INFLAMMATORY PROTEIN 4-ALPHA;                                        
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGAN: LUNG;                                                         
*SOURCE   5 GENE: EOTAXIN-3;                                                     
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET28A+                                   
*KEYWDS    BETA-BETA-BETA-ALPHA HELIX                                            
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    J.YE, K.L.MAYER, M.R.MAYER, M.J.STONE                                 
*REVDAT   1   13-MAR-02 1G2S    0                                                

assign (resid 40 and name HD#) (resid 30 and name HN) 5.0 3.2 1.7      ! 246
assign (resid 43 and name HG2#) (resid 24 and name HA) 3.3 1.5 1.5        ! 448
assign (resid 43 and name HG2#) (resid 49 and name HB*) 5.0 3.2 1.5       ! 965
assign (resid 14 and name HE#) (resid 50 and name HA) 5.0 3.2 2.0       ! 969
assign (resid 14 and name HD#) (resid 50 and name HA) 5.0 3.2 2.0       ! 968
assign (resid 51 and name HA) (resid 52 and name HB*) 5.0 3.2 1.0       ! 1035
assign (resid 53 and name HB*) (resid 62 and name HD#) 5.0 3.2 2.5       ! 1082
assign (resid 27 and name HE#) (resid 68 and name HA) 5.0 3.2 2.0       ! 1580
assign (resid 65 and name HD1#) (resid 42 and name HA) 5.0 3.2 1.5 !1507
assign (resid 65 and name HB*) (resid 26 and name HA) 5.0 3.2 1.0 !1688 1689
assign (resid 65 and name HD2#) (resid 27 and name HA) 5.0 3.2 1.5 !517
assign (resid 40 and name HG2#) (resid 27 and name HA) 5.0 3.2 1.5 !518
assign (resid 27 and name HE#) (resid 66 and name HA) 5.0 3.2 2.0 !1544
assign (resid 67 and name HB*) (resid 68 and name HG#) 5.0 3.2 1.5 !1553
assign (resid 29 and name HA) (resid 40 and name HD#) 5.0 3.2 1.5 !580
assign (resid 10 and name HA) (resid 38 and name HB*) 5.0 3.2 1.5 !684
assign (resid 30 and name HG2#) (resid 38 and name HA) 5.0 3.2 1.5 !688
assign (resid 51 and name HG2#) (resid 41 and name HN) 3.3 1.5 1.7        ! 346
assign (resid 14 and name HE#) (resid 39 and name HN) 5.0 3.2 2.2        ! 320
assign (resid 21 and name HD#) (resid 22 and name HN) 5.0 3.2 2.2        ! 127
assign (resid 61 and name HD#) (resid 19 and name HN) 5.0 3.2 2.2        ! 100
assign (resid 42 and name HG2#) (resid 26 and name HN) 5.0 3.2 1.7        ! 190
assign (resid 24 and name HG1#) (resid 41 and name HE#) 5.0 3.2 3.5        ! 1671
assign (resid 24 and name HG1#) (resid 41 and name HD#) 3.3 1.5 3.5        ! 440
assign (resid 6 and name HG2#) (resid 7 and name HB*) 5.0 3.2 2.5        ! 15
assign (resid 12 and name HA) (resid 36 and name HB*) 5.0 3.2 1.0        ! 80
assign (resid 15 and name HB*) (resid 17 and name HB*) 5.0 3.2 2.0        ! 136
assign (resid 15 and name HB*) (resid 17 and name HG*) 5.0 3.2 2.0        ! 138
assign (resid 43 and name HA) (resid 44 and name HG*) 5.0 3.2 1.5        ! 1566
assign (resid 26 and name HB*) (resid 25 and name HB*) 5.0 3.2 2.0       ! 482
assign (resid 26 and name HB*) (resid 25 and name HG#) 5.0 3.2 2.0       ! 483
assign (resid 21 and name HZ2) (resid 65 and name HD2#) 3.3 1.5 3.5      ! 1538
assign (resid 62 and name HD#) (resid 29 and name HD#) 3.3 1.5 3.5      ! 1594 1439
assign (resid 62 and name HD#) (resid 27 and name HE#) 5.0 3.2 3.5      ! 1440
assign (resid 65 and name HD2#) (resid 26 and name HA) 5.0 3.2 1.5      ! 480
assign (resid 1 and name HA) (resid 1 and name HB*) 3.3 1.5 0.0 ! 1  
assign (resid 1 and name HA) (resid 1 and name HG2#) 5.0 3.2 1.5 ! 2  
assign (resid 4 and name HA) (resid 4 and name HB*) 3.3 1.5 1.0 ! 3  
assign (resid 5 and name HB*) (resid 5 and name HA) 5.0 3.2 1.0 ! 5  4  
assign (resid 6 and name HA) (resid 6 and name HB*) 3.3 1.5 0.0 ! 6  
assign (resid 6 and name HA) (resid 6 and name HG1#) 5.0 3.2 1.5 ! 7  
assign (resid 7 and name HA) (resid 7 and name HB*) 2.7 0.9 1.0 ! 19  17  
assign (resid 8 and name HA) (resid 8 and name HG#) 5.0 3.2 1.5 ! 22  
assign (resid 8 and name HA) (resid 8 and name HB*) 3.3 1.5 1.0 ! 24  23  
assign (resid 8 and name HA) (resid 8 and name HD#) 3.3 1.5 1.5 ! 25  
assign (resid 9 and name HB*) (resid 9 and name HA) 2.7 0.9 1.0 ! 27  
assign (resid 9 and name HG2#) (resid 9 and name HA) 3.3 1.5 1.5 ! 32  
assign (resid 9 and name HG2#) (resid 9 and name HB*) 2.7 0.9 2.5 ! 33  28  
assign (resid 10 and name HB1) (resid 34 and name HA) 5.0 3.2 0.0      ! 46
assign (resid 10 and name HB2) (resid 34 and name HA) 5.0 3.2 0.0      ! 42
assign (resid 10 and name HA) (resid 10 and name HB1) 3.3 1.5  0.0  ! 44 50
assign (resid 10 and name HA) (resid 10 and name HB2) 3.3 1.5  0.0      ! 43 51
assign (resid 10 and name HA) (resid 9 and name HG2#) 5.0 3.2 1.5 ! 53  31  
assign (resid 11 and name HA) (resid 50 and name HB*) 3.3 1.5 1.0 ! 56  55  
assign (resid 11 and name HB*) (resid 50 and name HA) 5.0 3.2 1.0 ! 65  
assign (resid 11 and name HB*) (resid 11 and name HA) 2.7 0.9 1.0 ! 70  69  66  58  57  
assign (resid 12 and name HB*) (resid 12 and name HA) 5.0 3.2 1.0 ! 89  88  84  83  
assign (resid 13 and name HA) (resid 14 and name HD#) 5.0 3.2 2.0 ! 95  
assign (resid 13 and name HA) (resid 14 and name HE#) 5.0 3.2 2.0 ! 96  
assign (resid 13 and name HA) (resid 14 and name HB*) 5.0 3.2 1.0 ! 99  98  
assign (resid 13 and name HA) (resid 13 and name HG#) 3.3 1.5 1.5 ! 100  
assign (resid 13 and name HA) (resid 13 and name HB*) 3.3 1.5 1.0 ! 102  101  94  93  
assign (resid 14 and name HE#) (resid 52 and name HA) 5.0 3.2 2.0 ! 106  
assign (resid 14 and name HE#) (resid 11 and name HB*) 5.0 3.2 3.0 ! 111  64  61  
assign (resid 14 and name HD#) (resid 14 and name HE#) 2.7 0.9 4.0 ! 113  103  
assign (resid 14 and name HD#) (resid 51 and name HB*) 5.0 3.2 2.0 ! 119  
assign (resid 14 and name HD#) (resid 50 and name HB*) 5.0 3.2 3.0 ! 124  120  
assign (resid 14 and name HB*) (resid 14 and name HD#) 5.0 3.2 3.0 ! 129  127  123  122  
assign (resid 14 and name HB*) (resid 14 and name HE#) 3.3 1.5 3.0 ! 130  128  109  108  
assign (resid 15 and name HB*) (resid 15 and name HA) 2.7 0.9 1.0 ! 141  134  
assign (resid 16 and name HA) (resid 16 and name HD#) 5.0 3.2 2.0 ! 142  
assign (resid 16 and name HB*) (resid 16 and name HA) 2.7 0.9 1.0 ! 152  151  148  147  
assign (resid 16 and name HB*) (resid 16 and name HD#) 5.0 3.2 3.0 ! 154  153  
assign (resid 18 and name HD#) (resid 18 and name HG#) 5.0 3.2 3.0 ! 172  170  166  164  159  158  
assign (resid 18 and name HA) (resid 21 and name HZ2) 5.0 3.2 2.0 ! 181  
assign (resid 18 and name HA) (resid 21 and name HD#) 5.0 3.2 2.0 ! 182  
assign (resid 18 and name HA) (resid 18 and name HD#) 5.0 3.2 1.5 ! 188  187  169  
assign (resid 18 and name HA) (resid 18 and name HG#) 5.0 3.2 1.5 ! 192  190  161  
assign (resid 18 and name HB*) (resid 18 and name HD#) 5.0 3.2 2.5 ! 205  200  199  174  173  168  167  
assign (resid 18 and name HB*) (resid 18 and name HA) 2.7 0.9 1.0 ! 207  202  194  193  
assign (resid 18 and name HB*) (resid 18 and name HG2#) 5.0 3.2 2.5 ! 208  
assign (resid 19 and name HD##) (resid 19 and name HB*) 3.3 1.5 2.5 ! 225  
assign (resid 19 and name HA) (resid 19 and name HG#) 5.0 3.2 1.5 ! 237  
assign (resid 19 and name HA) (resid 19 and name HB*) 5.0 3.2 1.0 ! 238  229  
assign (resid 19 and name HA) (resid 19 and name HD##) 5.0 3.2 1.5 ! 239  218  
assign (resid 20 and name HD#) (resid 23 and name HZ3) 5.0 3.2 3.5 ! 267  
assign (resid 20 and name HD#) (resid 23 and name HE3) 5.0 3.2 3.5 ! 269  268  
assign (resid 20 and name HD#) (resid 23 and name HD#) 5.0 3.2 3.5 ! 271  
assign (resid 20 and name HD#) (resid 20 and name HG#) 5.0 3.2 3.0 ! 282  279  273  262  261  258  
assign (resid 20 and name HA) (resid 20 and name HD#) 3.3 1.5 1.5 ! 291  289  277  272  
assign (resid 20 and name HA) (resid 20 and name HG#) 3.3 1.5 1.5 ! 293  287  260  257  
assign (resid 20 and name HB*) (resid 20 and name HD#) 5.0 3.2 2.5 ! 300  299  278  275  274  247  
assign (resid 20 and name HB*) (resid 20 and name HA) 5.0 3.2 1.0 ! 303  301  294  292  252  251  
assign (resid 20 and name HB*) (resid 20 and name HG#) 5.0 3.2 2.5 ! 307  306  304  297  265  263  250  248  
assign (resid 21 and name HZ2) (resid 21 and name HD#) 3.3 1.5 4.0 ! 316  
assign (resid 21 and name HZ2) (resid 18 and name HG#) 5.0 3.2 3.5 ! 320  155  
assign (resid 21 and name HA) (resid 21 and name HD#) 5.0 3.2 2.0 ! 326  311  
assign (resid 21 and name HB*) (resid 21 and name HA) 5.0 3.2 1.0 ! 339  338  337  333  332  
assign (resid 22 and name HA) (resid 21 and name HD#) 5.0 3.2 2.0 ! 349  312  
assign (resid 22 and name HA) (resid 22 and name HB*) 2.7 0.9 0.0 ! 354  347  
assign (resid 22 and name HG2#) (resid 21 and name HB*) 5.0 3.2 2.5 ! 357  356  
assign (resid 22 and name HG2#) (resid 22 and name HA) 2.7 0.9 1.5 ! 358  355  
assign (resid 22 and name HG2#) (resid 22 and name HB*) 2.7 0.9 1.5 ! 359  348  
assign (resid 22 and name HG2#) (resid 21 and name HD#) 3.3 1.5 3.5 ! 360  315  
assign (resid 23 and name HA) (resid 23 and name HE3) 5.0 3.2 2.0 ! 362  
assign (resid 23 and name HA) (resid 23 and name HD#) 3.3 1.5 2.0 ! 363  
assign (resid 23 and name HA) (resid 22 and name HA) 5.0 3.2 0.0 ! 373  350  
assign (resid 23 and name HB*) (resid 23 and name HA) 3.3 1.5 1.0 ! 394  392  375  374  
assign (resid 23 and name HB*) (resid 23 and name HE3) 5.0 3.2 3.0 ! 396  395  
assign (resid 23 and name HB*) (resid 23 and name HD#) 5.0 3.2 3.0 ! 398  397  
assign (resid 24 and name HB*) (resid 24 and name HG2#) 5.0 3.2 1.5 ! 400  
assign (resid 24 and name HB*) (resid 21 and name HH2) 5.0 3.2 2.0 ! 402  
assign (resid 24 and name HB*) (resid 21 and name HZ2) 5.0 3.2 2.0 ! 403  
assign (resid 24 and name HB*) (resid 21 and name HE3) 5.0 3.2 2.0 ! 404  
assign (resid 24 and name HB*) (resid 43 and name HA) 5.0 3.2 0.0 ! 405  
assign (resid 24 and name HB*) (resid 21 and name HA) 5.0 3.2 0.0 ! 406  330  
assign (resid 24 and name HG2#) (resid 24 and name HG1#) 2.7 0.9 3.0 ! 417  
assign (resid 24 and name HG1#) (resid 21 and name HA) 3.3 1.5 1.5 ! 426  336  
assign (resid 24 and name HG1#) (resid 21 and name HZ3) 5.0 3.2 3.5 ! 430  
assign (resid 24 and name HG1#) (resid 24 and name HB*) 5.0 3.2 1.5 ! 439  399  
assign (resid 24 and name HA) (resid 43 and name HB*) 5.0 3.2 0.0 ! 444  
assign (resid 24 and name HA) (resid 24 and name HG2#) 2.7 0.9 1.5 ! 445  421  
assign (resid 24 and name HA) (resid 24 and name HG1#) 3.3 1.5 1.5 ! 446  438  
assign (resid 24 and name HA) (resid 24 and name HB*) 5.0 3.2 0.0 ! 449  407  
assign (resid 25 and name HD#) (resid 25 and name HG#) 5.0 3.2 3.0 ! 452  
assign (resid 25 and name HD#) (resid 43 and name HA) 5.0 3.2 1.5 ! 455  
assign (resid 25 and name HD#) (resid 44 and name HA) 5.0 3.2 1.5 ! 457  
assign (resid 25 and name HA) (resid 24 and name HA) 5.0 3.2  0.0 ! 460  
assign (resid 25 and name HA) (resid 25 and name HD#) 3.3 1.5 1.5 ! 463  458  
assign (resid 25 and name HA) (resid 44 and name HG#) 3.3 1.5 1.5 ! 466  
assign (resid 25 and name HB*) (resid 25 and name HA) 2.7 0.9 1.0 ! 470  465  464  
assign (resid 25 and name HB*) (resid 44 and name HG#) 5.0 3.2 2.5 ! 473  
assign (resid 25 and name HB*) (resid 25 and name HD#) 5.0 3.2 2.5 ! 475  469  453  451  
assign (resid 26 and name HB*) (resid 26 and name HA) 2.7 0.9 1.0 ! 492  491  478  477  
assign (resid 27 and name HA) (resid 26 and name HB*) 5.0 3.2 1.0 ! 525  
assign (resid 27 and name HA) (resid 41 and name HD*) 3.3 1.5 2.0 ! 526  
assign (resid 27 and name HA) (resid 41 and name HE#) 5.0 3.2 2.0 ! 527  
assign (resid 27 and name HB*) (resid 27 and name HA) 2.7 0.9 1.0 ! 538  536  521  520  
assign (resid 28 and name HA) (resid 39 and name HG1#) 5.0 3.2 1.5 ! 553  
assign (resid 28 and name HA) (resid 29 and name HB*) 5.0 3.2 1.0 ! 555  554  
assign (resid 28 and name HA) (resid 27 and name HB*) 5.0 3.2 1.0 ! 556  
assign (resid 28 and name HA) (resid 29 and name HD#) 5.0 3.2 2.0 ! 557  
assign (resid 28 and name HA) (resid 27 and name HA) 5.0 3.2 0.0 ! 558  524  
assign (resid 28 and name HA) (resid 29 and name HA) 5.0 3.2 0.0 ! 559  
assign (resid 28 and name HA) (resid 27 and name HE#) 3.3 1.5 2.0 ! 560  496  
assign (resid 28 and name HG#) (resid 28 and name HA) 5.0 3.2 1.5 ! 562  561  
assign (resid 28 and name HB*) (resid 28 and name HA) 5.0 3.2 1.0 ! 570  569  
assign (resid 29 and name HA) (resid 27 and name HE#) 5.0 3.2 2.0 ! 572  
assign (resid 29 and name HB*) (resid 29 and name HA) 3.3 1.5 1.0 ! 587  586  576  575  
assign (resid 30 and name HG2#) (resid 29 and name HB*) 5.0 3.2 2.5 ! 595  
assign (resid 30 and name HG2#) (resid 10 and name HB1) 5.0 3.2 1.5     ! 596 37
assign (resid 30 and name HG2#) (resid 10 and name HB2) 5.0 3.2 1.5     ! 593 36
assign (resid 30 and name HG2#) (resid 11 and name HB*) 5.0 3.2 2.5 ! 598  597  74  73  
assign (resid 30 and name HG2#) (resid 40 and name HG1#) 3.3 1.5 3.0 ! 600  
assign (resid 30 and name HG2#) (resid 29 and name HA) 5.0 3.2 1.5 ! 602  
assign (resid 30 and name HG2#) (resid 11 and name HA) 3.3 1.5 1.5 ! 603  
assign (resid 30 and name HB*) (resid 10 and name HB*) 5.0 3.2 1.0 ! 615  
assign (resid 30 and name HB*) (resid 30 and name HG2#) 2.7 0.9 1.5 ! 618  604  
assign (resid 30 and name HA) (resid 30 and name HG2#) 2.7 0.9 1.5 ! 620  605  
assign (resid 30 and name HA) (resid 30 and name HB*) 2.7 0.9 0.0 ! 623  612  
assign (resid 31 and name HB*) (resid 31 and name HA) 2.7 0.9 1.0 ! 631  630  
assign (resid 32 and name HA) (resid 32 and name HB*) 2.7 0.9 1.0 ! 635  632  
assign (resid 33 and name HA) (resid 32 and name HB*) 5.0 3.2 1.0 ! 636  
assign (resid 33 and name HB*) (resid 33 and name HA) 2.7 0.9 1.0 ! 639  638  637  
assign (resid 34 and name HB*) (resid 30 and name HB*) 5.0 3.2 1.0 ! 644  643  617  616  
assign (resid 34 and name HB*) (resid 10 and name HB1) 5.0 3.2 1.0 ! 41 647 641 649
assign (resid 34 and name HB*) (resid 10 and name HB2) 5.0 3.2 1.0 ! 40
assign (resid 34 and name HB*) (resid 30 and name HG2#) 5.0 3.2 2.5 ! 650  
assign (resid 35 and name HA) (resid 35 and name HB*) 2.7 0.9 1.0 ! 653  
assign (resid 36 and name HA) (resid 36 and name HB*) 3.3 1.5 1.0 ! 664  663  657  656  
assign (resid 37 and name HB*) (resid 37 and name HD#) 5.0 3.2 2.5 ! 669  668  
assign (resid 37 and name HB*) (resid 37 and name HA) 5.0 3.2 1.0 ! 671  670  
assign (resid 37 and name HD#) (resid 37 and name HA) 5.0 3.2 1.5 ! 672  
assign (resid 38 and name HB*) (resid 14 and name HD#) 3.3 1.5 3.0 ! 674  121  115  
assign (resid 38 and name HB*) (resid 14 and name HE#) 3.3 1.5 3.0 ! 675  112  
assign (resid 38 and name HB*) (resid 52 and name HA) 5.0 3.2 1.0 ! 676  
assign (resid 38 and name HB*) (resid 11 and name HA) 5.0 3.2 1.0 ! 677  
assign (resid 38 and name HB*) (resid 11 and name HB*) 5.0 3.2 2.0 ! 683  681  72  71  
assign (resid 38 and name HA) (resid 39 and name HB*) 5.0 3.2 1.0 ! 687  
assign (resid 38 and name HA) (resid 38 and name HB*) 2.7 0.9 1.0 ! 691  685  
assign (resid 38 and name HA) (resid 14 and name HD#) 5.0 3.2 2.0 ! 695  
assign (resid 38 and name HA) (resid 14 and name HE#) 5.0 3.2 2.0 ! 696  105  
assign (resid 39 and name HB*) (resid 41 and name HE#) 5.0 3.2 3.0 ! 698  
assign (resid 39 and name HA) (resid 39 and name HB*) 3.3 1.5 1.0 ! 704  
assign (resid 39 and name HA) (resid 29 and name HB*) 5.0 3.2 1.0 ! 707  706  589  588  
assign (resid 39 and name HA) (resid 29 and name HA) 2.7 0.9 0.0 ! 710  574  
assign (resid 39 and name HA) (resid 29 and name HD#) 3.3 1.5 2.0 ! 711  
assign (resid 39 and name HA) (resid 27 and name HD#) 5.0 3.2 2.0 ! 712  
assign (resid 39 and name HG2#) (resid 39 and name HA) 2.7 0.9 1.5 ! 714  708  
assign (resid 39 and name HG2#) (resid 29 and name HA) 5.0 3.2 1.5 ! 715  581  
assign (resid 39 and name HG2#) (resid 38 and name HA) 5.0 3.2 1.5 ! 718  692  
assign (resid 39 and name HG2#) (resid 27 and name HE#) 5.0 3.2 3.5 ! 720  500  
assign (resid 39 and name HG2#) (resid 39 and name HB*) 5.0 3.2 2.5 ! 724  700  
assign (resid 39 and name HG1#) (resid 27 and name HE#) 3.3 1.5 3.5 ! 730  512  501  
assign (resid 39 and name HG1#) (resid 39 and name HA) 3.3 1.5 1.5 ! 731  709  
assign (resid 39 and name HG1#) (resid 27 and name HA) 5.0 3.2 1.5 ! 732  519  
assign (resid 39 and name HG1#) (resid 29 and name HA) 5.0 3.2 1.5 ! 734  582  
assign (resid 39 and name HG1#) (resid 27 and name HB*) 5.0 3.2 2.5 ! 737  736  550  549  
assign (resid 39 and name HG1#) (resid 39 and name HB*) 5.0 3.2 2.5 ! 738  701  
assign (resid 39 and name HG1#) (resid 40 and name HG1#) 5.0 3.2 3.0 ! 739  
assign (resid 39 and name HG1#) (resid 62 and name HD#) 3.3 1.5 3.0 ! 741  
assign (resid 39 and name HG1#) (resid 39 and name HG2#) 2.7 0.9 3.0 ! 742  725  
assign (resid 40 and name HB*) (resid 28 and name HG#) 5.0 3.2 1.5 ! 747  746  566  565  
assign (resid 40 and name HG1#) (resid 40 and name HB*) 5.0 3.2 1.5 ! 750  748  744  
assign (resid 40 and name HA) (resid 50 and name HB*) 5.0 3.2 1.0 ! 757  755  
assign (resid 40 and name HA) (resid 40 and name HB*) 3.3 1.5 0.0 ! 758  745  
assign (resid 40 and name HA) (resid 40 and name HG1#) 3.3 1.5 1.5 ! 761  759  754  753  
assign (resid 40 and name HA) (resid 39 and name HG1#) 5.0 3.2 1.5 ! 763  735  
assign (resid 40 and name HD#) (resid 28 and name HG#) 3.3 1.5 3.0 ! 765  764  
assign (resid 40 and name HD#) (resid 40 and name HB*) 5.0 3.2 1.5 ! 766  749  
assign (resid 40 and name HD#) (resid 30 and name HA) 3.3 1.5 1.5 ! 770  621  
assign (resid 41 and name HA) (resid 41 and name HE#) 5.0 3.2 2.0 ! 773  
assign (resid 41 and name HA) (resid 27 and name HE#) 5.0 3.2 2.0 ! 774  
assign (resid 41 and name HA) (resid 40 and name HG2#) 5.0 3.2 1.5 ! 782  
assign (resid 41 and name HA) (resid 39 and name HG1#) 5.0 3.2 1.5 ! 783  733  
assign (resid 41 and name HA) (resid 27 and name HA) 2.7 0.9 0.0 ! 784  529  
assign (resid 41 and name HB*) (resid 41 and name HA) 3.3 1.5 1.0 ! 789  786  777  776  
assign (resid 42 and name HB*) (resid 48 and name HD#) 3.3 1.5 1.5 ! 797  
assign (resid 42 and name HB*) (resid 48 and name HB*) 5.0 3.2 1.0 ! 798  
assign (resid 42 and name HG2#) (resid 42 and name HB*) 2.7 0.9 1.5 ! 802  800  
assign (resid 42 and name HG2#) (resid 25 and name HD#) 5.0 3.2 3.0 ! 804  454  
assign (resid 42 and name HA) (resid 48 and name HD#) 3.3 1.5 1.5 ! 810  
assign (resid 42 and name HA) (resid 42 and name HG2#) 2.7 0.9 1.5 ! 814  806  
assign (resid 42 and name HA) (resid 42 and name HB*) 3.3 1.5 0.0 ! 815  796  
assign (resid 43 and name HB*) (resid 23 and name HD#) 5.0 3.2 2.0 ! 816  
assign (resid 43 and name HB*) (resid 23 and name HE3) 5.0 3.2 2.0 ! 817  
assign (resid 43 and name HB*) (resid 23 and name HB*) 5.0 3.2 1.0 ! 819  818  393  391  
assign (resid 43 and name HB*) (resid 43 and name HG2#) 2.7 0.9 1.5 ! 822  
assign (resid 43 and name HA) (resid 23 and name HE3) 5.0 3.2 2.0 ! 827  
assign (resid 43 and name HA) (resid 24 and name HA) 2.7 0.9 0.0 ! 832  443  
assign (resid 43 and name HA) (resid 43 and name HB*) 2.7 0.9 0.0 ! 833  826  
assign (resid 43 and name HG2#) (resid 23 and name HB*) 5.0 3.2 2.5 ! 837  836  384  383  
assign (resid 43 and name HG2#) (resid 23 and name HZ3) 5.0 3.2 3.5 ! 840  
assign (resid 43 and name HG2#) (resid 23 and name HE3) 5.0 3.2 3.5 ! 841  
assign (resid 44 and name HB*) (resid 23 and name HA) 5.0 3.2 1.0 ! 843  842  367  
assign (resid 44 and name HB*) (resid 44 and name HG#) 5.0 3.2 2.5 ! 845  844  
assign (resid 44 and name HE#) (resid 44 and name HB*) 5.0 3.2 2.5 ! 851  850  
assign (resid 44 and name HE#) (resid 23 and name HA) 5.0 3.2 1.5 ! 853  852  366  365  
assign (resid 44 and name HE#) (resid 25 and name HA) 3.3 1.5 1.5 ! 855  854  462  461  
assign (resid 44 and name HE#) (resid 44 and name HD#) 5.0 3.2 3.0 ! 857  856  
assign (resid 44 and name HE#) (resid 44 and name HG#) 5.0 3.2 3.0 ! 859  858  
assign (resid 44 and name HA) (resid 46 and name HA*) 5.0 3.2 1.0 ! 860  
assign (resid 44 and name HA) (resid 25 and name HA) 5.0 3.2 0.0 ! 862  459  
assign (resid 44 and name HA) (resid 43 and name HA) 5.0 3.2 0.0 ! 863  831  
assign (resid 44 and name HA) (resid 43 and name HB*) 5.0 3.2 0.0 ! 864  
assign (resid 44 and name HA) (resid 23 and name HA) 5.0 3.2 0.0 ! 865  364  
assign (resid 44 and name HA) (resid 44 and name HB*) 5.0 3.2 1.0 ! 867  847  846  
assign (resid 44 and name HA) (resid 44 and name HD#) 3.3 1.5 1.5 ! 868  
assign (resid 44 and name HA) (resid 25 and name HB*) 3.3 1.5 1.0 ! 869  474  
assign (resid 44 and name HA) (resid 44 and name HG#) 2.7 0.9 1.5 ! 870  
assign (resid 45 and name HB*) (resid 45 and name HA) 5.0 3.2 1.0 ! 876  875  
assign (resid 45 and name HD#) (resid 45 and name HB*) 5.0 3.2 2.5 ! 879  878  874  873  
assign (resid 46 and name HA*) (resid 42 and name HG2#) 5.0 3.2 2.5 ! 883  803  
assign (resid 47 and name HG#) (resid 47 and name HE#) 5.0 3.2 3.0 ! 885  
assign (resid 47 and name HG#) (resid 47 and name HD#) 2.7 0.9 3.0 ! 888  
assign (resid 47 and name HA) (resid 47 and name HD#) 3.3 1.5 1.5 ! 894  
assign (resid 47 and name HA) (resid 47 and name HG#) 2.7 0.9 1.5 ! 897  895  887  886  
assign (resid 47 and name HA) (resid 47 and name HB*) 2.7 0.9 1.0 ! 898  890  889  
assign (resid 48 and name HB*) (resid 48 and name HE#) 5.0 3.2 2.5 ! 900  899  
assign (resid 48 and name HB*) (resid 42 and name HA) 3.3 1.5 1.0 ! 906  905  811  809  
assign (resid 48 and name HA) (resid 47 and name HA) 5.0 3.2 0.0 ! 910  893  
assign (resid 48 and name HA) (resid 42 and name HB*) 5.0 3.2 0.0 ! 911  795  
assign (resid 48 and name HA) (resid 48 and name HB*) 2.7 0.9 1.0 ! 915  914  908  907  
assign (resid 48 and name HA) (resid 42 and name HG2#) 5.0 3.2 1.5 ! 916  807  
assign (resid 48 and name HA) (resid 42 and name HA) 2.7 0.9 0.0 ! 919  808  
assign (resid 49 and name HG2#) (resid 42 and name HA) 5.0 3.2 1.5 ! 933  
assign (resid 49 and name HG2#) (resid 48 and name HA) 5.0 3.2 1.5 ! 934  917  
assign (resid 49 and name HG2#) (resid 15 and name HB*) 5.0 3.2 2.5 ! 936  139  
assign (resid 49 and name HG2#) (resid 41 and name HB*) 5.0 3.2 2.5 ! 938  937  
assign (resid 49 and name HG1#) (resid 15 and name HA) 5.0 3.2 1.5 ! 946  133  
assign (resid 49 and name HG1#) (resid 15 and name HB*) 2.7 0.9 2.5 ! 949  140  
assign (resid 49 and name HA) (resid 48 and name HA) 5.0 3.2 0.0 ! 952  
assign (resid 49 and name HA) (resid 49 and name HG1#) 2.7 0.9 1.5 ! 954  947  
assign (resid 49 and name HA) (resid 49 and name HG2#) 2.7 0.9 1.5 ! 955  939  
assign (resid 49 and name HB*) (resid 48 and name HA) 5.0 3.2 0.0 ! 957  913  
assign (resid 49 and name HB*) (resid 49 and name HA) 3.3 1.5 0.0 ! 960  953  
assign (resid 49 and name HB*) (resid 15 and name HB*) 5.0 3.2 1.0 ! 961  135  
assign (resid 49 and name HB*) (resid 49 and name HG1#) 5.0 3.2 1.5 ! 966  951  
assign (resid 49 and name HB*) (resid 49 and name HG2#) 5.0 3.2 1.5 ! 967  940  
assign (resid 50 and name HA) (resid 40 and name HB*) 3.3 1.5 1.0 ! 970  
assign (resid 50 and name HA) (resid 40 and name HG1#) 3.3 1.5 1.5 ! 972  971  
assign (resid 50 and name HA) (resid 40 and name HD#) 3.3 1.5 1.5 ! 973  
assign (resid 50 and name HB*) (resid 14 and name HB*) 5.0 3.2 2.0 ! 984  982  
assign (resid 50 and name HB*) (resid 14 and name HE#) 5.0 3.2 3.0 ! 985  983  110  
assign (resid 50 and name HB*) (resid 50 and name HA) 5.0 3.2 1.0 ! 991  989  975  974  
assign (resid 50 and name HB*) (resid 11 and name HB*) 5.0 3.2 2.0 ! 995  993  987  986  68  67  60  59  
assign (resid 50 and name HB*) (resid 38 and name HB*) 3.3 1.5 2.0 ! 998  997  682  679  
assign (resid 51 and name HB*) (resid 57 and name HZ2) 5.0 3.2 2.0 ! 999  
assign (resid 51 and name HG2#) (resid 49 and name HB*) 5.0 3.2 1.5 ! 1015  964  
assign (resid 51 and name HG2#) (resid 49 and name HG1#) 2.7 0.9 3.0 ! 1018  941  
assign (resid 51 and name HG2#) (resid 51 and name HB*) 2.7 0.9 1.5 ! 1025  1004  
assign (resid 51 and name HA) (resid 14 and name HD#) 3.3 1.5 2.0 ! 1031  114  
assign (resid 51 and name HA) (resid 14 and name HE#) 5.0 3.2 2.0 ! 1032  104  
assign (resid 51 and name HA) (resid 49 and name HG1#) 5.0 3.2 1.5 ! 1033  944  
assign (resid 51 and name HA) (resid 50 and name HB*) 5.0 3.2 1.0 ! 1034  980  
assign (resid 51 and name HA) (resid 14 and name HB*) 3.3 1.5 1.0 ! 1037  1036  132  131  
assign (resid 51 and name HA) (resid 51 and name HG2#) 3.3 1.5 1.5 ! 1038  1024  
assign (resid 51 and name HA) (resid 51 and name HB*) 2.7 0.9 0.0 ! 1041  1003  
assign (resid 52 and name HD#) (resid 52 and name HE#) 5.0 3.2 4.0 ! 1042  
assign (resid 52 and name HB*) (resid 52 and name HD#) 5.0 3.2 3.0 ! 1047  1046  1044  1043  
assign (resid 53 and name HG#) (resid 55 and name HE#) 5.0 3.2 3.0 ! 1062  1061  
assign (resid 53 and name HG#) (resid 38 and name HA) 5.0 3.2 1.5 ! 1064  1063  686  
assign (resid 53 and name HG#) (resid 52 and name HA) 5.0 3.2 1.5 ! 1066  1065  
assign (resid 53 and name HG#) (resid 53 and name HA) 5.0 3.2 1.5 ! 1068  1067  
assign (resid 53 and name HG#) (resid 39 and name HG2#) 3.3 1.5 3.0 ! 1076  1075  722  
assign (resid 53 and name HB*) (resid 38 and name HA) 5.0 3.2 1.0 ! 1079  689  
assign (resid 53 and name HB*) (resid 52 and name HA) 5.0 3.2 1.0 ! 1080  
assign (resid 53 and name HB*) (resid 29 and name HD#) 5.0 3.2 3.0 ! 1086  1085  
assign (resid 53 and name HA) (resid 29 and name HD#) 5.0 3.2 2.0 ! 1094  
assign (resid 53 and name HA) (resid 52 and name HB*) 5.0 3.2 1.0 ! 1098  
assign (resid 53 and name HA) (resid 53 and name HB*) 5.0 3.2 1.0 ! 1100  1099  1088  1087  
assign (resid 53 and name HA) (resid 55 and name HB*) 5.0 3.2 1.0 ! 1102  
assign (resid 53 and name HA) (resid 39 and name HG2#) 3.3 1.5 1.5 ! 1104  
assign (resid 53 and name HA) (resid 39 and name HG1#) 5.0 3.2 1.5 ! 1105  
assign (resid 53 and name HA) (resid 58 and name HG2#) 5.0 3.2 1.5 ! 1106  
assign (resid 53 and name HD#) (resid 52 and name HD#) 5.0 3.2 3.5 ! 1108  
assign (resid 53 and name HD#) (resid 38 and name HA) 5.0 3.2 1.5 ! 1114  1113  694  690  
assign (resid 53 and name HD#) (resid 53 and name HG#) 5.0 3.2 3.0 ! 1118  1116  1072  1071  1070  1069  
assign (resid 53 and name HD#) (resid 38 and name HB*) 3.3 1.5 2.5 ! 1119  680  678  
assign (resid 53 and name HD#) (resid 53 and name HB*) 5.0 3.2 2.5 ! 1120  1117  1091  1090  1089  
assign (resid 53 and name HD#) (resid 53 and name HA) 5.0 3.2 1.5 ! 1123  1097  
assign (resid 53 and name HD#) (resid 52 and name HB*) 5.0 3.2 2.5 ! 1127  1126  1122  1121  1050  1049  
assign (resid 53 and name HD#) (resid 39 and name HG2#) 5.0 3.2 3.0 ! 1129  1128  717  716  
assign (resid 54 and name HB*) (resid 54 and name HG#) 5.0 3.2 2.5 ! 1134  
assign (resid 54 and name HD#) (resid 54 and name HB*) 5.0 3.2 2.5 ! 1141  1140  1136  
assign (resid 54 and name HD#) (resid 54 and name HG#) 5.0 3.2 3.0 ! 1142  
assign (resid 54 and name HA) (resid 54 and name HD#) 5.0 3.2 1.5 ! 1143  1139  
assign (resid 54 and name HA) (resid 53 and name HB*) 5.0 3.2 1.0 ! 1144  
assign (resid 54 and name HA) (resid 54 and name HB*) 2.7 0.9 1.0 ! 1148  1147  1132  1131  
assign (resid 54 and name HA) (resid 54 and name HG#) 2.7 0.9 1.5 ! 1149  
assign (resid 55 and name HB*) (resid 55 and name HE#) 5.0 3.2 2.5 ! 1151  1150  
assign (resid 55 and name HB*) (resid 57 and name HD#) 5.0 3.2 2.5 ! 1153  
assign (resid 55 and name HD#) (resid 57 and name HZ2) 5.0 3.2 3.5 ! 1156  
assign (resid 55 and name HD#) (resid 57 and name HD#) 5.0 3.2 3.5 ! 1157  
assign (resid 55 and name HD#) (resid 52 and name HB*) 5.0 3.2 2.5 ! 1158  1054  
assign (resid 55 and name HD#) (resid 55 and name HE#) 5.0 3.2 3.0 ! 1161  1160  
assign (resid 55 and name HD#) (resid 55 and name HG#) 5.0 3.2 3.0 ! 1162  
assign (resid 55 and name HD#) (resid 55 and name HB*) 5.0 3.2 2.5 ! 1163  
assign (resid 55 and name HD#) (resid 58 and name HG2#) 5.0 3.2 3.0 ! 1164  
assign (resid 55 and name HA) (resid 55 and name HE#) 5.0 3.2 1.5 ! 1166  1165  
assign (resid 55 and name HA) (resid 55 and name HG#) 3.3 1.5 1.5 ! 1169  
assign (resid 55 and name HA) (resid 55 and name HB*) 3.3 1.5 1.0 ! 1171  1170  1155  1154  
assign (resid 55 and name HA) (resid 55 and name HD#) 2.7 0.9 1.5 ! 1173  1159  
assign (resid 56 and name HA) (resid 56 and name HE#) 5.0 3.2 1.5 ! 1175  
assign (resid 56 and name HA) (resid 56 and name HD#) 5.0 3.2 1.5 ! 1176  
assign (resid 56 and name HA) (resid 56 and name HB*) 2.7 0.9 1.0 ! 1178  
assign (resid 56 and name HA) (resid 59 and name HG#) 5.0 3.2 1.5 ! 1180  1179  
assign (resid 56 and name HA) (resid 56 and name HG#) 3.3 1.5 1.5 ! 1181  1177  
assign (resid 57 and name HZ3) (resid 19 and name HD##) 5.0 3.2 3.5 ! 1182  215  
assign (resid 57 and name HZ3) (resid 19 and name HB*) 5.0 3.2 3.0 ! 1183  242  
assign (resid 57 and name HZ3) (resid 57 and name HB*) 5.0 3.2 3.0 ! 1184  
assign (resid 57 and name HE3) (resid 57 and name HZ2) 5.0 3.2 4.0 ! 1190  
assign (resid 57 and name HE3) (resid 57 and name HH2) 5.0 3.2 4.0 ! 1193  
assign (resid 57 and name HZ3) (resid 57 and name HE3) 3.3 1.5 4.0 ! 1198  1197  
assign (resid 57 and name HD#) (resid 55 and name HA) 5.0 3.2 2.0 ! 1199  1168  
assign (resid 57 and name HD#) (resid 55 and name HB*) 5.0 3.2 3.0 ! 1201  1152  
assign (resid 57 and name HZ2) (resid 57 and name HZ3) 5.0 3.2 4.0 ! 1207  1191  
assign (resid 57 and name HZ2) (resid 58 and name HG2#) 5.0 3.2 3.5 ! 1208  
assign (resid 57 and name HA) (resid 57 and name HZ3) 5.0 3.2 2.0 ! 1209  
assign (resid 57 and name HA) (resid 57 and name HD#) 5.0 3.2 2.0 ! 1210  
assign (resid 57 and name HA) (resid 60 and name HD#) 5.0 3.2 1.5 ! 1215  
assign (resid 57 and name HA) (resid 60 and name HE#) 5.0 3.2 1.5 ! 1216  
assign (resid 57 and name HA) (resid 61 and name HE#) 5.0 3.2 2.0 ! 1217  
assign (resid 57 and name HA) (resid 57 and name HE3) 5.0 3.2 2.0 ! 1218  
assign (resid 57 and name HZ2) (resid 51 and name HB*) 5.0 3.2 2.0 ! 1220  
assign (resid 57 and name HB*) (resid 57 and name HD#) 5.0 3.2 3.0 ! 1226  1203  
assign (resid 57 and name HB*) (resid 57 and name HA) 2.7 0.9 1.0 ! 1229  1219  
assign (resid 58 and name HA) (resid 51 and name HG1#) 5.0 3.2 1.5 ! 1231  
assign (resid 58 and name HA) (resid 39 and name HG1#) 5.0 3.2 1.5 ! 1233  
assign (resid 58 and name HA) (resid 41 and name HE#) 3.3 1.5 2.0 ! 1240  
assign (resid 58 and name HA) (resid 41 and name HD#) 3.3 1.5 2.0 ! 1241  
assign (resid 58 and name HA) (resid 61 and name HD#) 5.0 3.2 2.0 ! 1242  
assign (resid 58 and name HA) (resid 57 and name HZ3) 5.0 3.2 2.0 ! 1243  1185  
assign (resid 58 and name HA) (resid 57 and name HE3) 3.3 1.5 2.0 ! 1244  
assign (resid 58 and name HB*) (resid 53 and name HA) 3.3 1.5 0.0 ! 1245  1101  
assign (resid 58 and name HB*) (resid 58 and name HA) 3.3 1.5 0.0 ! 1246  1230  
assign (resid 58 and name HG1#) (resid 53 and name HA) 2.7 0.9 1.5 ! 1249  1103  
assign (resid 58 and name HG1#) (resid 58 and name HA) 3.3 1.5 1.5 ! 1251  1232  
assign (resid 58 and name HG1#) (resid 41 and name HD#) 3.3 1.5 3.5 ! 1252  
assign (resid 58 and name HG1#) (resid 41 and name HE#) 3.3 1.5 3.5 ! 1253  
assign (resid 58 and name HG1#) (resid 53 and name HB*) 3.3 1.5 2.5 ! 1254  1084  1083  
assign (resid 58 and name HG1#) (resid 58 and name HB*) 5.0 3.2 1.5 ! 1255  1247  
assign (resid 58 and name HG1#) (resid 39 and name HB*) 2.7 0.9 2.5 ! 1256  699  
assign (resid 58 and name HG1#) (resid 39 and name HG2#) 3.3 1.5 3.0 ! 1257  
assign (resid 58 and name HG1#) (resid 39 and name HG1#) 3.3 1.5 3.0 ! 1258  740  
assign (resid 58 and name HG2#) (resid 58 and name HG1#) 2.7 0.9 3.0 ! 1262  1259  
assign (resid 58 and name HG2#) (resid 58 and name HA) 5.0 3.2 1.5 ! 1265  1234  
assign (resid 58 and name HG2#) (resid 51 and name HA) 5.0 3.2 1.5 ! 1267  1039  
assign (resid 58 and name HG2#) (resid 55 and name HA) 5.0 3.2 1.5 ! 1268  1172  
assign (resid 58 and name HG2#) (resid 51 and name HB*) 2.7 0.9 1.5 ! 1269  1010  
assign (resid 59 and name HG#) (resid 54 and name HA) 5.0 3.2 1.5 ! 1280  1146  1145  
assign (resid 59 and name HG#) (resid 55 and name HA) 5.0 3.2 1.5 ! 1281  1167  
assign (resid 59 and name HB*) (resid 56 and name HA) 5.0 3.2 1.0 ! 1286  
assign (resid 59 and name HB*) (resid 59 and name HG#) 5.0 3.2 2.5 ! 1290  1289  1288  1287  
assign (resid 59 and name HA) (resid 59 and name HG#) 3.3 1.5 1.5 ! 1294  1293  1283  1282  
assign (resid 59 and name HA) (resid 59 and name HB*) 2.7 0.9 1.0 ! 1296  1295  1285  1284  
assign (resid 59 and name HA) (resid 58 and name HG1#) 3.3 1.5 1.5 ! 1298  1250  
assign (resid 60 and name HB*) (resid 61 and name HD#) 5.0 3.2 3.0 ! 1303  1302  
assign (resid 60 and name HB*) (resid 57 and name HB*) 5.0 3.2 2.0 ! 1305  1304  1224  1223  
assign (resid 60 and name HB*) (resid 57 and name HA) 5.0 3.2 1.0 ! 1307  1306  1214  1213  
assign (resid 60 and name HA) (resid 60 and name HE#) 5.0 3.2 1.5 ! 1308  
assign (resid 60 and name HA) (resid 60 and name HB*) 3.3 1.5 1.0 ! 1310  1309  
assign (resid 60 and name HA) (resid 60 and name HD#) 3.3 1.5 1.5 ! 1311  
assign (resid 60 and name HA) (resid 64 and name HD1#) 5.0 3.2 1.5 ! 1313  
assign (resid 60 and name HA) (resid 60 and name HG#) 3.3 1.5 1.5 ! 1314  
assign (resid 61 and name HA) (resid 41 and name HD#) 5.0 3.2 2.0 ! 1316  
assign (resid 61 and name HA) (resid 41 and name HE#) 5.0 3.2 2.0 ! 1317  
assign (resid 61 and name HA) (resid 21 and name HE3) 5.0 3.2 2.0 ! 1320  
assign (resid 61 and name HE#) (resid 61 and name HA) 5.0 3.2 2.0 ! 1336  
assign (resid 61 and name HE#) (resid 61 and name HB*) 3.3 1.5 3.0 ! 1339  1338  
assign (resid 61 and name HD#) (resid 24 and name HG2#) 3.3 1.5 3.5 ! 1347  414  
assign (resid 61 and name HD#) (resid 64 and name HD1#) 5.0 3.2 3.5 ! 1348  
assign (resid 61 and name HD#) (resid 61 and name HA) 2.7 0.9 2.0 ! 1349  1318  
assign (resid 27 and name HE#) (resid 27 and name HB*) 3.3 1.5 3.0 ! 1353  
assign (resid 61 and name HB*) (resid 61 and name HD#) 5.0 3.2 3.0 ! 1376  1372  1351  1350  
assign (resid 61 and name HB*) (resid 58 and name HA) 3.3 1.5 1.0 ! 1378  1239  
assign (resid 61 and name HB*) (resid 61 and name HA) 3.3 1.5 1.0 ! 1382  1381  1322  1321  
assign (resid 62 and name HA) (resid 41 and name HD#) 5.0 3.2 2.0 ! 1383  
assign (resid 62 and name HA) (resid 41 and name HE#) 5.0 3.2 2.0 ! 1384  
assign (resid 62 and name HA) (resid 27 and name HE#) 3.3 1.5 2.0 ! 1385  497  
assign (resid 62 and name HB*) (resid 59 and name HA) 3.3 1.5 0.0 ! 1402  1297  
assign (resid 62 and name HB*) (resid 62 and name HA) 3.3 1.5 0.0 ! 1403  1387  
assign (resid 62 and name HB*) (resid 62 and name HG1#) 5.0 3.2 1.5 ! 1406  
assign (resid 62 and name HG2#) (resid 62 and name HA) 2.7 0.9 1.5 ! 1409  1396  
assign (resid 62 and name HG2#) (resid 62 and name HB*) 5.0 3.2 1.5 ! 1415  1405  
assign (resid 62 and name HG1#) (resid 62 and name HG2#) 5.0 3.2 3.0 ! 1429  1416  
assign (resid 62 and name HG1#) (resid 59 and name HA) 3.3 1.5 1.5 ! 1430  1420  1301  
assign (resid 62 and name HG1#) (resid 62 and name HA) 3.3 1.5 1.5 ! 1431  1421  1397  1394  
assign (resid 62 and name HD#) (resid 59 and name HA) 3.3 1.5 1.5 ! 1433  1299  
assign (resid 62 and name HD#) (resid 62 and name HG1#) 2.7 0.9 3.0 ! 1438  1435  
assign (resid 63 and name HB*) (resid 63 and name HA) 2.7 0.9 1.0 ! 1442  
assign (resid 63 and name HB*) (resid 62 and name HG2#) 5.0 3.2 2.5 ! 1444  1407  
assign (resid 64 and name HB*) (resid 21 and name HZ2) 5.0 3.2 3.0 ! 1446  319  
assign (resid 64 and name HA) (resid 64 and name HG#) 2.7 0.9 1.5 ! 1453  
assign (resid 64 and name HD1#) (resid 21 and name HZ2) 5.0 3.2 3.5 ! 1456  323  
assign (resid 64 and name HD1#) (resid 61 and name HE#) 5.0 3.2 3.5 ! 1457  1315  
assign (resid 64 and name HD1#) (resid 21 and name HZ3) 5.0 3.2 3.5 ! 1458  
assign (resid 64 and name HD1#) (resid 61 and name HA) 3.3 1.5 1.5 ! 1459  1332  
assign (resid 64 and name HD1#) (resid 64 and name HA) 5.0 3.2 1.5 ! 1460  1455  
assign (resid 64 and name HD1#) (resid 64 and name HG#) 3.3 1.5 3.0 ! 1464  
assign (resid 64 and name HD2#) (resid 64 and name HA) 2.7 0.9 1.5 ! 1469  1454  
assign (resid 64 and name HD2#) (resid 64 and name HG#) 2.7 0.9 3.0 ! 1473  
assign (resid 64 and name HD2#) (resid 64 and name HD1#) 2.7 0.9 3.0 ! 1475  1468  
assign (resid 64 and name HB*) (resid 61 and name HA) 3.3 1.5 1.0 ! 1480  1326  1324  
assign (resid 64 and name HB*) (resid 64 and name HA) 2.7 0.9 1.0 ! 1483  1481  1452  1451  
assign (resid 64 and name HB*) (resid 64 and name HG#) 5.0 3.2 2.5 ! 1486  1484  
assign (resid 64 and name HB*) (resid 64 and name HD2#) 3.3 1.5 2.5 ! 1488  1474  1472  
assign (resid 64 and name HB*) (resid 64 and name HD1#) 5.0 3.2 2.5 ! 1490  1489  1465  1463  
assign (resid 65 and name HB*) (resid 65 and name HA) 5.0 3.2 1.0 ! 1499  1498  
assign (resid 65 and name HB*) (resid 62 and name HA) 5.0 3.2 1.0 ! 1500  1393  
assign (resid 65 and name HD1#) (resid 27 and name HA) 5.0 3.2 1.5 ! 1506  1505  516  
assign (resid 65 and name HD1#) (resid 61 and name HA) 5.0 3.2 1.5 ! 1511  1327  
assign (resid 65 and name HD1#) (resid 27 and name HB*) 5.0 3.2 2.5 ! 1516  546  545  
assign (resid 65 and name HD1#) (resid 62 and name HA) 5.0 3.2 1.5 ! 1517  1395  
assign (resid 65 and name HG#) (resid 65 and name HB*) 5.0 3.2 2.5 ! 1522 1501 1493  
assign (resid 65 and name HD1#) (resid 65 and name HB*) 5.0 3.2 2.5      ! 1514  1513  1503 1495
assign (resid 65 and name HD2#) (resid 26 and name HB*) 5.0 3.2 2.5 ! 1534  1533  490  485  
assign (resid 65 and name HD2#) (resid 62 and name HA) 5.0 3.2 1.5 ! 1535  1391  
assign (resid 65 and name HD2#) (resid 65 and name HG#) 3.3 1.5 3.0 ! 1541  1524  
assign (resid 65 and name HD2#) (resid 65 and name HB*) 3.3 1.5 2.5 ! 1542  1539  1504  1496  
assign (resid 65 and name HA) (resid 65 and name HD2#) 2.7 0.9 1.5 ! 1543  1540  
assign (resid 66 and name HA) (resid 66 and name HD#) 3.3 1.5 1.5 ! 1545  
assign (resid 66 and name HA) (resid 66 and name HG#) 3.3 1.5 1.5 ! 1546  
assign (resid 66 and name HB*) (resid 66 and name HA) 2.7 0.9 1.0 ! 1549  1548  1547  
assign (resid 67 and name HB*) (resid 67 and name HG2#) 3.3 1.5 1.5 ! 1554  
assign (resid 67 and name HA) (resid 67 and name HB*) 3.3 1.5 0.0 ! 1561  1551  
assign (resid 67 and name HG2#) (resid 68 and name HD#) 3.3 1.5 3.0 ! 1562  
assign (resid 67 and name HG2#) (resid 67 and name HA) 3.3 1.5 1.5 ! 1563  1558  
assign (resid 43 and name HA) (resid 43 and name HG2#) 2.7 0.9 1.5 ! 1565  839  838  
assign (resid 43 and name HA) (resid 24 and name HG1#) 5.0 3.2 1.5 ! 1567  425  
assign (resid 43 and name HA) (resid 24 and name HG2#) 5.0 3.2 1.5 ! 1568  416  
assign (resid 68 and name HD#) (resid 67 and name HB*) 5.0 3.2 1.5 ! 1572  1552  
assign (resid 68 and name HD#) (resid 67 and name HA) 2.7 0.9 1.5 ! 1573  1560  1559  
assign (resid 68 and name HD#) (resid 68 and name HG#) 5.0 3.2 3.0 ! 1579  1578  
assign (resid 68 and name HA) (resid 68 and name HD#) 3.3 1.5 1.5 ! 1581  1571  
assign (resid 68 and name HB*) (resid 68 and name HD#) 5.0 3.2 2.5 ! 1586  1584  1577  1576  
assign (resid 68 and name HB*) (resid 68 and name HA) 5.0 3.2 1.0 ! 1589  1588  1583  1582  
assign (resid 29 and name HD#) (resid 39 and name HG2#) 3.3 1.5 3.5 ! 1593  719  
assign (resid 29 and name HD#) (resid 29 and name HA) 3.3 1.5 2.0 ! 1595  571  
assign (resid 29 and name HD#) (resid 29 and name HB*) 5.0 3.2 3.0 ! 1597  1596  585  584  
assign (resid 29 and name HD#) (resid 27 and name HE#) 5.0 3.2 4.0 ! 1599  1352  
assign (resid 39 and name HG2#) (resid 53 and name HB*) 3.3 1.5 2.5 ! 1601  1600  1093  1092  
assign (resid 58 and name HG2#) (resid 39 and name HG2#) 5.0 3.2 3.0 ! 1604  1602  
assign (resid 29 and name HA) (resid 30 and name HA) 5.0 3.2 0.0 ! 1605  622  
assign (resid 26 and name HA) (resid 27 and name HA) 5.0 3.2 0.0 ! 1608  522  
assign (resid 41 and name HA) (resid 27 and name HB*) 3.3 1.5 1.0 ! 1612  778  539  537  
assign (resid 25 and name HB*) (resid 43 and name HA) 5.0 3.2 1.0 ! 1615  1564  468  
assign (resid 42 and name HA) (resid 48 and name HE#) 5.0 3.2 1.5 ! 1617  
assign (resid 52 and name HA) (resid 38 and name HA) 3.3 1.5 0.0 ! 1624  693  
assign (resid 52 and name HA) (resid 14 and name HD#) 3.3 1.5 2.0 ! 1625  116  
assign (resid 52 and name HA) (resid 52 and name HD#) 5.0 3.2 2.0 ! 1626  
assign (resid 52 and name HA) (resid 52 and name HB*) 3.3 1.5 1.0 ! 1628  1627  1048  1045  
assign (resid 34 and name HA) (resid 34 and name HB*) 2.7 0.9 1.0 ! 1631  1630  645  642  
assign (resid 52 and name HA) (resid 53 and name HD#) 2.7 0.9 1.5 ! 1632  1629  1115  1112  
assign (resid 14 and name HA) (resid 14 and name HE#) 3.3 1.5 2.0 ! 1633  107  
assign (resid 14 and name HA) (resid 14 and name HD#) 3.3 1.5 2.0 ! 1634  117  
assign (resid 14 and name HA) (resid 51 and name HA) 3.3 1.5 0.0 ! 1635  1040  
assign (resid 41 and name HE#) (resid 58 and name HG2#) 5.0 3.2 3.5 ! 1637  
assign (resid 41 and name HD#) (resid 58 and name HG2#) 5.0 3.2 3.5 ! 1638  
assign (resid 41 and name HD#) (resid 39 and name HG1#) 5.0 3.2 3.5 ! 1639  
assign (resid 41 and name HE#) (resid 39 and name HG1#) 3.3 1.5 3.5 ! 1640  729  
assign (resid 41 and name HD#) (resid 41 and name HA) 3.3 1.5 2.0 ! 1642  1641  772  
assign (resid 12 and name HD#) (resid 12 and name HA) 3.3 1.5 2.0 ! 1643  77  
assign (resid 41 and name HD#) (resid 41 and name HB*) 5.0 3.2 3.0 ! 1646  1645  788  787  
assign (resid 41 and name HD#) (resid 27 and name HB*) 5.0 3.2 3.0 ! 1648  1647  530  
assign (resid 41 and name HD#) (resid 39 and name HB*) 3.3 1.5 3.0 ! 1649  697  
assign (resid 41 and name HE#) (resid 27 and name HB*) 5.0 3.2 3.0 ! 1658  534  531  
assign (resid 23 and name HE3) (resid 23 and name HH2) 3.3 1.5 4.0 ! 1669  
assign (resid 11 and name HB*) (resid 14 and name HD#) 5.0 3.2 3.0 ! 1673  1672  118  
assign (resid 21 and name HH2) (resid 65 and name HD2#) 3.3 1.5 3.5 ! 1674  1537  
assign (resid 21 and name HH2) (resid 64 and name HB*) 5.0 3.2 3.0 ! 1677  1676  1447  
assign (resid 21 and name HH2) (resid 21 and name HZ3) 3.3 1.5 4.0 ! 1679  
assign (resid 21 and name HH2) (resid 21 and name HZ2) 3.3 1.5 4.0 ! 1680  317  
assign (resid 21 and name HH2) (resid 64 and name HD1#) 5.0 3.2 3.5 ! 1682  
assign (resid 65 and name HA) (resid 21 and name HZ3) 5.0 3.2 2.0 ! 1683  
assign (resid 65 and name HA) (resid 21 and name HH2) 5.0 3.2 2.0 ! 1684  1681  
assign (resid 21 and name HE3) (resid 21 and name HA) 3.3 1.5 2.0 ! 1693  329  
assign (resid 21 and name HE3) (resid 21 and name HH2) 5.0 3.2 4.0 ! 1695  
assign (resid 57 and name HH2) (resid 57 and name HZ3) 3.3 1.5 4.0 ! 1700  1194  
assign (resid 57 and name HH2) (resid 57 and name HZ2) 2.7 0.9 4.0 ! 1701  1206  
assign (resid 23 and name HH2) (resid 23 and name HZ2) 2.7 0.9 4.0 ! 1702  1698  
assign (resid 23 and name HZ3) (resid 23 and name HE3) 3.3 1.5 4.0 ! 1703  
assign (resid 23 and name HZ3) (resid 23 and name HH2) 3.3 1.5 4.0 ! 1705  
assign (resid 21 and name HZ3) (resid 21 and name HZ2) 5.0 3.2 4.0 ! 1706  318  
assign (resid 21 and name HZ3) (resid 21 and name HE3) 5.0 3.2 4.0 ! 1707  1694  
assign (resid 40 and name HG2#) (resid 40 and name HA) 3.3 1.5 1.5 ! 1717  
assign (resid 40 and name HG2#) (resid 48 and name HA) 3.3 1.5 1.5 ! 1718  918  
assign (resid 40 and name HG2#) (resid 42 and name HA) 5.0 3.2 1.5 ! 1719  794  
assign (resid 10 and name HA) (resid 34 and name HB*) 5.0 3.2 1.0 ! 49  48  
assign (resid 15 and name HB*) (resid 51 and name HG2#) 3.3 1.5 2.5 ! 137  
assign (resid 18 and name HA) (resid 17 and name HA) 5.0 3.2 0.0 ! 185  
assign (resid 19 and name HD##) (resid 23 and name HE3) 5.0 3.2 3.5 ! 211  
assign (resid 19 and name HD##) (resid 23 and name HZ3) 5.0 3.2 3.5 ! 212  
assign (resid 19 and name HD##) (resid 23 and name HD#) 5.0 3.2 3.5 ! 213  
assign (resid 20 and name HG#) (resid 23 and name HZ2) 5.0 3.2 3.5 ! 253  
assign (resid 20 and name HG#) (resid 23 and name HD#) 5.0 3.2 3.5 ! 254  
assign (resid 20 and name HB*) (resid 19 and name HA) 5.0 3.2 1.0 ! 302  
assign (resid 17 and name HA) (resid 18 and name HG#) 5.0 3.2 1.5 ! 660 157
assign (resid 43 and name HG2#) (resid 41 and name HB*) 5.0 3.2 2.5 ! 835  834  
assign (resid 52 and name HB*) (resid 51 and name HG2#) 5.0 3.2 2.5 ! 1053  1013  
assign (resid 58 and name HG2#) (resid 58 and name HB*) 5.0 3.2 1.5 ! 1264  1248  
assign (resid 65 and name HD1#) (resid 26 and name HA) 3.3 1.5 1.5 ! 1518  479  
assign (resid 65 and name HG#) (resid 65 and name HA) 5.0 3.2 1.5 ! 1520  
assign (resid 65 and name HD1#) (resid 65 and name HA) 5.0 3.2 1.5      ! 1519
assign (resid 65 and name HG#) (resid 41 and name HD#) 5.0 3.2 3.5 ! 1526  
assign (resid 65 and name HD1#) (resid 41 and name HE#) 5.0 3.2 3.5 ! 1527  
assign (resid 16 and name HA) (resid 17 and name HA) 5.0 3.2 0.0 ! 143  
assign (resid 16 and name HA) (resid 15 and name HB*) 5.0 3.2 1.0 ! 144  
assign (resid 18 and name HA) (resid 19 and name HA) 5.0 3.2 0.0 ! 186  
assign (resid 18 and name HB*) (resid 18 and name HG#) 5.0 3.2 2.5 ! 203  209  198  
assign (resid 19 and name HD##) (resid 43 and name HA) 5.0 3.2 1.5 ! 216  
assign (resid 20 and name HG#) (resid 19 and name HA) 5.0 3.2 1.5 ! 256  259  240  
assign (resid 20 and name HD#) (resid 19 and name HA) 5.0 3.2 1.5 ! 276  241  236  
assign (resid 23 and name HB*) (resid 20 and name HB*) 5.0 3.2 2.0 ! 381  379  
assign (resid 27 and name HD#) (resid 62 and name HG2#) 5.0 3.2 3.5 ! 499  
assign (resid 27 and name HD#) (resid 39 and name HG1#) 5.0 3.2 3.5 ! 501  
assign (resid 27 and name HE#) (resid 62 and name HB*) 5.0 3.2 2.0 ! 506  
assign (resid 27 and name HE#) (resid 65 and name HB*) 3.3 1.5 3.0 ! 509  
assign (resid 27 and name HE#) (resid 65 and name HD1#) 5.0 3.2 3.5 ! 510  1529  
assign (resid 27 and name HB*) (resid 62 and name HG2#) 5.0 3.2 2.5 ! 548  1716  1398  
assign (resid 28 and name HA) (resid 40 and name HD#) 5.0 3.2 1.5 ! 551  
assign (resid 28 and name HA) (resid 62 and name HG2#) 5.0 3.2 1.5 ! 552  
assign (resid 17 and name HA) (resid 17 and name HG#) 5.0 3.2 1.5 ! 661  
assign (resid 17 and name HA) (resid 17 and name HB*) 2.7 0.9 1.0 ! 665  
assign (resid 17 and name HA) (resid 18 and name HD#) 2.7 0.9 1.5 ! 667  666  176  175  
assign (resid 40 and name HA) (resid 41 and name HB*) 5.0 3.2 1.0 ! 756  
assign (resid 42 and name HG2#) (resid 48 and name HE#) 5.0 3.2 3.0 ! 805  
assign (resid 43 and name HB*) (resid 44 and name HG#) 5.0 3.2 1.5    ! 823
assign (resid 43 and name HB*) (resid 19 and name HD##) 5.0 3.2 1.5 ! 824  217  
assign (resid 43 and name HA) (resid 23 and name HA) 5.0 3.2 0.0 ! 829  361  
assign (resid 48 and name HA) (resid 48 and name HE#) 5.0 3.2 1.5 ! 912  
assign (resid 49 and name HG2#) (resid 23 and name HE3) 5.0 3.2 3.5 ! 932  
assign (resid 49 and name HB*) (resid 42 and name HA) 5.0 3.2 0.0 ! 958  
assign (resid 49 and name HB*) (resid 41 and name HB*) 5.0 3.2 1.0 ! 963  962  791  790  
assign (resid 50 and name HB*) (resid 40 and name HD#) 5.0 3.2 2.5 ! 977  976  
assign (resid 50 and name HB*) (resid 49 and name HA) 5.0 3.2 1.0 ! 978  
assign (resid 52 and name HB*) (resid 55 and name HG#) 5.0 3.2 2.5 ! 1055  1052  
assign (resid 53 and name HG#) (resid 53 and name HB*) 5.0 3.2 2.5 ! 1074  1073  
assign (resid 57 and name HB*) (resid 57 and name HE3) 5.0 3.2 3.0 ! 1228  
assign (resid 58 and name HG2#) (resid 57 and name HE3) 5.0 3.2 3.5 ! 1266  1188  
assign (resid 61 and name HE#) (resid 57 and name HZ3) 3.3 1.5 4.0 ! 1333  
assign (resid 61 and name HE#) (resid 57 and name HE3) 5.0 3.2 4.0 ! 1334  
assign (resid 27 and name HD#) (resid 65 and name HB*) 3.3 1.5 3.0 ! 1355  
assign (resid 27 and name HD#) (resid 62 and name HB*) 5.0 3.2 2.0 ! 1356  
assign (resid 27 and name HD#) (resid 65 and name HD1#) 3.3 1.5 3.5 ! 1357  
assign (resid 62 and name HG2#) (resid 59 and name HA) 5.0 3.2 1.5 ! 1410  
assign (resid 62 and name HG2#) (resid 27 and name HE#) 3.3 1.5 3.5 ! 1413  511  
assign (resid 65 and name HG#) (resid 21 and name HZ2) 5.0 3.2 3.5 ! 1530  
assign (resid 65 and name HG#) (resid 21 and name HH2) 5.0 3.2 3.5 ! 1678  1675 1528  
assign (resid 65 and name HD1#) (resid 21 and name HH2) 5.0 3.2 3.5     ! 1531
assign (resid 65 and name HG#) (resid 21 and name HZ3) 5.0 3.2 3.5 ! 1532  
assign (resid 40 and name HG2#) (resid 41 and name HB*) 5.0 3.2 2.5 ! 1720  
assign (resid 40 and name HG2#) (resid 28 and name HG#) 5.0 3.2 3.0 ! 1725  
assign (resid 41 and name HB*) (resid 49 and name HG1#) 5.0 3.2 2.5 ! 1726  
assign (resid 43 and name HG2#) (resid 23 and name HA) 5.0 3.2 1.5 ! 1728  369  
assign (resid 58 and name HG2#) (resid 57 and name HZ3) 5.0 3.2 3.5 ! 1730  1189  
assign (resid 14 and name HA) (resid 50 and name HB*) 3.3 1.5 1.0 ! 1731  1636  990  
assign (resid 14 and name HA) (resid 14 and name HB*) 5.0 3.2 1.0 ! 1735  1734  126  125  
assign (resid 6 and name HG2#) (resid 6 and name HA) 3.3 1.5 1.5 ! 1737  8  
assign (resid 6 and name HG2#) (resid 6 and name HB*) 3.3 1.5 1.5 ! 1736  
assign (resid 7 and name HB*) (resid 6 and name HB*) 5.0 3.2 1.0 ! 18  
assign (resid 6 and name HD#) (resid 6 and name HA) 5.0 3.2 1.5 ! 12  
assign (resid 6 and name HD#) (resid 6 and name HB*) 5.0 3.2 1.5 ! 11  
assign (resid 6 and name HG2#) (resid 7 and name HA) 5.0 3.2 1.5 ! 1738  
assign (resid 40 and name HD#) (resid 9 and name HB*) 5.0 3.2 2.5 ! 771  
assign (resid 8 and name HA) (resid 9 and name HG2#) 5.0 3.2 1.5 ! 21  
assign (resid 13 and name HA) (resid 12 and name HB*) 5.0 3.2 1.0 ! 97  
assign (resid 12 and name HB*) (resid 12 and name HD#) 5.0 3.2 3.0 ! 86  87  
assign (resid 10 and name HB1) (resid 12 and name HD#) 5.0 3.2 2.0 ! 35  
assign (resid 10 and name HB2) (resid 12 and name HE#) 5.0 3.2 2.0 ! 34  
assign (resid 12 and name HA) (resid 14 and name HD#) 5.0 3.2 2.0 ! 1739  
assign (resid 12 and name HA) (resid 14 and name HE#) 5.0 3.2 2.0 ! 79  
assign (resid 15 and name HB*) (resid 16 and name HD#) 5.0 3.2 3.0 ! 1740  
assign (resid 16 and name HA) (resid 18 and name HD#) 5.0 3.2 1.5 ! 145  
assign (resid 18 and name HA) (resid 19 and name HB*) 5.0 3.2 1.0 ! 191  
assign (resid 18 and name HD#) (resid 19 and name HB*) 5.0 3.2 2.5 ! 165  171  
assign (resid 24 and name HG1#) (resid 20 and name HD#) 5.0 3.2 3.0 ! 435  
assign (resid 24 and name HG2#) (resid 20 and name HD#) 3.3 1.5 3.0 ! 410  422  
assign (resid 19 and name HB*) (resid 21 and name HZ2) 5.0 3.2 3.0 ! 1743  
assign (resid 24 and name HG2#) (resid 21 and name HE3) 5.0 3.2 3.5 ! 415  
assign (resid 21 and name HB*) (resid 21 and name HD#) 5.0 3.2 3.0 ! 341  343  314  313  
assign (resid 21 and name HB*) (resid 21 and name HE3) 5.0 3.2 3.0 ! 340  345  309  308  
assign (resid 21 and name HA) (resid 21 and name HZ3) 5.0 3.2 2.0 ! 328  
assign (resid 19 and name HB*) (resid 21 and name HH2) 5.0 3.2 3.0 ! 245  
assign (resid 19 and name HB*) (resid 21 and name HD#) 5.0 3.2 3.0 ! 243  
assign (resid 19 and name HD##) (resid 21 and name HA) 5.0 3.2 1.5 ! 219  
assign (resid 22 and name HB*) (resid 23 and name HD#) 5.0 3.2 2.0 ! 346  
assign (resid 19 and name HA) (resid 23 and name HE3) 5.0 3.2 2.0 ! 235  
assign (resid 19 and name HD##) (resid 23 and name HB*) 5.0 3.2 2.5 ! 220  221  
assign (resid 21 and name HA) (resid 24 and name HG2#) 3.3 1.5 1.5 ! 336  420  
assign (resid 19 and name HB*) (resid 24 and name HG2#) 5.0 3.2 2.5 ! 228  
assign (resid 43 and name HA) (resid 25 and name HA) 5.0 3.2 0.0 ! 1714  
assign (resid 41 and name HB*) (resid 27 and name HA) 5.0 3.2 1.0 ! 1741  1742  514  513  
assign (resid 10 and name HA) (resid 30 and name HG2#) 5.0 3.2 1.5 ! 52  
assign (resid 10 and name HA) (resid 30 and name HA) 5.0 3.2 0.0 ! 47  
assign (resid 12 and name HB*) (resid 36 and name HB*) 5.0 3.2 2.0 ! 85  92  
assign (resid 40 and name HD#) (resid 40 and name HG1#) 2.7 0.9 3.0 ! 767  751  
assign (resid 30 and name HG2#) (resid 40 and name HD#) 3.3 1.5 3.0 ! 601  
assign (resid 10 and name HA) (resid 40 and name HD#) 5.0 3.2 1.5 ! 54  
assign (resid 9 and name HG2#) (resid 40 and name HD#) 3.3 1.5 3.0 ! 30  768  
assign (resid 7 and name HB*) (resid 40 and name HD#) 5.0 3.2 2.5 ! 16  
assign (resid 49 and name HB*) (resid 41 and name HD#) 5.0 3.2 2.0 ! 959  
assign (resid 49 and name HG1#) (resid 41 and name HD#) 5.0 3.2 3.5 ! 942  
assign (resid 24 and name HG1#) (resid 41 and name HB*) 5.0 3.2 2.5 ! 436  437  792  793  
assign (resid 24 and name HG2#) (resid 41 and name HB*) 5.0 3.2 2.5 ! 423  424  1727  
assign (resid 24 and name HG2#) (resid 41 and name HD#) 5.0 3.2 3.5 ! 413  
assign (resid 24 and name HG1#) (resid 42 and name HA) 5.0 3.2 1.5 ! 428  
assign (resid 24 and name HG2#) (resid 43 and name HG2#) 3.3 1.5 3.0 ! 419  
assign (resid 4 and name HA) (resid 5 and name HN) 2.7 0.9 0.2 ! 1  
assign (resid 6 and name HN) (resid 5 and name HN) 5.0 3.2 0.4 ! 2  
assign (resid 4 and name HN) (resid 5 and name HN) 5.0 3.2 0.4 ! 3  
assign (resid 5 and name HB*) (resid 5 and name HN) 5.0 3.2 1.2 ! 4  
assign (resid 5 and name HA) (resid 5 and name HN) 2.7 0.9 0.2 ! 5  
assign (resid 6 and name HG#) (resid 6 and name HN) 5.0 3.2 1.7 ! 8  
assign (resid 6 and name HB*) (resid 6 and name HN) 2.7 0.9 0.2 ! 9  
assign (resid 6 and name HA) (resid 6 and name HN) 3.3 1.5 0.2 ! 10  
assign (resid 6 and name HN) (resid 7 and name HN) 2.7 0.9 0.4 ! 14  
assign (resid 7 and name HA) (resid 7 and name HN) 2.7 0.9 0.2 ! 15  
assign (resid 6 and name HA) (resid 7 and name HN) 2.7 0.9 0.2 ! 16  
assign (resid 7 and name HB*) (resid 7 and name HN) 2.7 0.9 1.2 ! 17  
assign (resid 7 and name HB*) (resid 8 and name HN) 5.0 3.2 1.2 ! 18  
assign (resid 8 and name HD#) (resid 8 and name HN) 3.3 1.5 1.7 ! 20  
assign (resid 8 and name HG#) (resid 8 and name HN) 2.7 0.9 1.7 ! 21  
assign (resid 8 and name HB*) (resid 8 and name HN) 3.3 1.5 1.2 ! 22  
assign (resid 8 and name HA) (resid 8 and name HN) 2.7 0.9 0.2 ! 23  
assign (resid 6 and name HA) (resid 8 and name HN) 3.3 1.5 0.2 ! 24  
assign (resid 9 and name HG2#) (resid 9 and name HN) 5.0 3.2 1.7 ! 28  
assign (resid 9 and name HB*) (resid 9 and name HN) 2.7 0.9 0.2 ! 29  
assign (resid 8 and name HA) (resid 9 and name HN) 2.7 0.9 0.2 ! 30  
assign (resid 10 and name HA) (resid 10 and name HN) 3.3 1.5 0.2 ! 35  
assign (resid 9 and name HG2#) (resid 10 and name HN) 3.3 1.5 1.7 ! 36  
assign (resid 10 and name HB1) (resid 10 and name HN) 3.3 1.5 0.2  ! 34
assign (resid 10 and name HB2) (resid 10 and name HN) 2.7 0.9 0.2 ! 33 37
assign (resid 34 and name HB*) (resid 11 and name HN) 5.0 3.2 1.2 ! 38  
assign (resid 11 and name HB*) (resid 11 and name HN) 2.7 0.9 1.2 ! 44  43  
assign (resid 11 and name HA) (resid 11 and name HN) 3.3 1.5 0.2 ! 45  
assign (resid 10 and name HA) (resid 11 and name HN) 2.7 0.9 0.2 ! 46  
assign (resid 10 and name HB2) (resid 11 and name HN) 3.3 1.5 0.2      ! 41
assign (resid 10 and name HB1) (resid 11 and name HN) 2.7 0.9 0.2      ! 47
assign (resid 12 and name HD#) (resid 12 and name HN) 5.0 3.2 2.2 ! 48  
assign (resid 12 and name HA) (resid 12 and name HN) 2.7 0.9 0.2 ! 53  
assign (resid 12 and name HB*) (resid 12 and name HN) 5.0 3.2 1.2 ! 55  54  52  
assign (resid 12 and name HB*) (resid 13 and name HN) 3.3 1.5 1.2 ! 60  58  
assign (resid 12 and name HN) (resid 13 and name HN) 3.3 1.5 0.4 ! 62  49  
assign (resid 13 and name HB*) (resid 13 and name HN) 2.7 0.9 1.2 ! 64  61  
assign (resid 13 and name HG#) (resid 13 and name HN) 3.3 1.5 1.7 ! 65  
assign (resid 13 and name HA) (resid 13 and name HN) 2.7 0.9 0.2 ! 66  
assign (resid 13 and name HN) (resid 14 and name HN) 5.0 3.2 0.4 ! 67  63  
assign (resid 14 and name HD#) (resid 14 and name HN) 2.7 0.9 2.2 ! 69  
assign (resid 14 and name HB*) (resid 14 and name HN) 2.7 0.9 1.2 ! 75  71  
assign (resid 14 and name HA) (resid 14 and name HN) 2.7 0.9 0.2 ! 76  
assign (resid 14 and name HD#) (resid 15 and name HN) 5.0 3.2 2.2 ! 77  
assign (resid 15 and name HB*) (resid 15 and name HN) 2.7 0.9 1.2 ! 84  
assign (resid 15 and name HA) (resid 15 and name HN) 2.7 0.9 0.2 ! 85  
assign (resid 14 and name HB*) (resid 15 and name HN) 3.3 1.5 1.2 ! 86  80  
assign (resid 51 and name HA) (resid 15 and name HN) 3.3 1.5 0.2 ! 87  
assign (resid 17 and name HG#) (resid 17 and name HN) 3.3 1.5 1.7 ! 94  
assign (resid 17 and name HB*) (resid 17 and name HN) 2.7 0.9 1.2 ! 95  
assign (resid 17 and name HA) (resid 17 and name HN) 2.7 0.9 0.2 ! 96  
assign (resid 19 and name HD#) (resid 19 and name HN) 3.3 1.5 1.7 ! 103  
assign (resid 19 and name HB*) (resid 19 and name HN) 2.7 0.9 1.2 ! 104  
assign (resid 19 and name HG#) (resid 19 and name HN) 3.3 1.5 1.7 ! 105  
assign (resid 19 and name HA) (resid 19 and name HN) 3.3 1.5 0.2 ! 106  
assign (resid 18 and name HA) (resid 19 and name HN) 2.7 0.9 0.2 ! 107  
assign (resid 21 and name HZ2) (resid 21 and name HE1) 2.7 0.9 4.0 ! 108  
assign (resid 21 and name HD#) (resid 21 and name HE1) 2.7 0.9 4.0 ! 109  
assign (resid 21 and name HD#) (resid 21 and name HN) 5.0 3.2 2.2 ! 113  
assign (resid 21 and name HE3) (resid 21 and name HN) 5.0 3.2 2.2 ! 115  
assign (resid 21 and name HB*) (resid 21 and name HN) 2.7 0.9 1.2 ! 122  121  120  
assign (resid 20 and name HG#) (resid 21 and name HN) 5.0 3.2 1.7 ! 124  
assign (resid 20 and name HB*) (resid 21 and name HN) 5.0 3.2 1.2 ! 125  123  
assign (resid 21 and name HN) (resid 22 and name HN) 3.3 1.5 0.4 ! 129  118  
assign (resid 22 and name HB*) (resid 22 and name HN) 3.3 1.5 0.2 ! 130  
assign (resid 22 and name HA) (resid 22 and name HN) 2.7 0.9 0.2 ! 131  
assign (resid 20 and name HA) (resid 22 and name HN) 5.0 3.2 0.2 ! 132  
assign (resid 21 and name HB*) (resid 22 and name HN) 3.3 1.5 1.2 ! 133  128  
assign (resid 21 and name HA) (resid 22 and name HN) 5.0 3.2 0.2 ! 134  
assign (resid 20 and name HB*) (resid 22 and name HN) 5.0 3.2 1.2 ! 137  135  
assign (resid 23 and name HD#) (resid 23 and name HN) 3.3 1.5 2.2 ! 141  
assign (resid 23 and name HZ2) (resid 23 and name HE1) 3.3 1.5 4.0 ! 146  
assign (resid 23 and name HD#) (resid 23 and name HE1) 2.7 0.9 4.0 ! 147  
assign (resid 22 and name HN) (resid 23 and name HN) 2.7 0.9 0.4 ! 148  126  
assign (resid 23 and name HB*) (resid 23 and name HN) 2.7 0.9 1.2 ! 151  150  
assign (resid 23 and name HA) (resid 23 and name HN) 2.7 0.9 0.2 ! 152  
assign (resid 22 and name HA) (resid 23 and name HN) 5.0 3.2 0.2 ! 153  
assign (resid 21 and name HA) (resid 23 and name HN) 5.0 3.2 0.2 ! 154  
assign (resid 22 and name HB*) (resid 23 and name HN) 5.0 3.2 0.2 ! 155  
assign (resid 20 and name HG#) (resid 23 and name HN) 5.0 3.2 1.7 ! 157  
assign (resid 20 and name HB*) (resid 23 and name HN) 3.3 1.5 1.2 ! 158  156  
assign (resid 23 and name HN) (resid 24 and name HN) 2.7 0.9 0.4 ! 161  149  
assign (resid 24 and name HB*) (resid 24 and name HN) 2.7 0.9 0.2 ! 164  
assign (resid 24 and name HA) (resid 24 and name HN) 2.7 0.9 0.2 ! 165  
assign (resid 21 and name HA) (resid 24 and name HN) 5.0 3.2 0.2 ! 166  
assign (resid 22 and name HA) (resid 24 and name HN) 5.0 3.2 0.2 ! 167  
assign (resid 22 and name HB*) (resid 24 and name HN) 5.0 3.2 0.2 ! 168  
assign (resid 23 and name HA) (resid 24 and name HN) 5.0 3.2 0.2 ! 170  
assign (resid 24 and name HN) (resid 25 and name HN) 5.0 3.2 0.4 ! 178  162  
assign (resid 43 and name HA) (resid 25 and name HN) 2.7 0.9 0.2 ! 179  
assign (resid 25 and name HG#) (resid 25 and name HN) 5.0 3.2 1.7 ! 182  
assign (resid 25 and name HB*) (resid 25 and name HN) 2.7 0.9 1.2 ! 183  181  
assign (resid 25 and name HA) (resid 25 and name HN) 3.3 1.5 0.2 ! 184  
assign (resid 43 and name HA) (resid 26 and name HN) 5.0 3.2 0.2 ! 189  
assign (resid 25 and name HN) (resid 26 and name HN) 2.7 0.9 0.4 ! 191  180  
assign (resid 26 and name HB1) (resid 26 and name HN) 3.3 15 0.2      ! 193
assign (resid 26 and name HB2) (resid 26 and name HN) 5.0 3.2 0.2      ! 194
assign (resid 26 and name HA) (resid 26 and name HN) 3.3 1.5 0.2 ! 195  
assign (resid 24 and name HA) (resid 26 and name HN) 5.0 3.2 0.2 ! 196  
assign (resid 25 and name HA) (resid 26 and name HN) 5.0 3.2 0.2 ! 197  
assign (resid 24 and name HG1#) (resid 26 and name HN) 2.7 0.9 1.7 ! 198  
assign (resid 25 and name HG#) (resid 26 and name HN) 5.0 3.2 1.7 ! 200  
assign (resid 25 and name HB*) (resid 26 and name HN) 2.7 0.9 1.2 ! 201  199  
assign (resid 26 and name HN) (resid 27 and name HN) 5.0 3.2 0.4 ! 202  192  
assign (resid 27 and name HD#) (resid 27 and name HN) 2.7 0.9 2.2 ! 203  
assign (resid 27 and name HB*) (resid 27 and name HN) 5.0 3.2 1.2 ! 205  204  
assign (resid 27 and name HA) (resid 27 and name HN) 3.3 1.5 0.2 ! 209  
assign (resid 26 and name HA) (resid 27 and name HN) 2.7 0.9 0.2 ! 210  
assign (resid 26 and name HB1) (resid 27 and name HN) 3.3 1.5 0.2      ! 211
assign (resid 26 and name HB2) (resid 27 and name HN) 5.0 3.2 0.2      ! 212
assign (resid 27 and name HB*) (resid 28 and name HN) 3.3 1.5 1.2 ! 213  
assign (resid 40 and name HN) (resid 28 and name HN) 3.3 1.5 0.4 ! 217  
assign (resid 41 and name HD#) (resid 28 and name HN) 5.0 3.2 2.2 ! 218  
assign (resid 41 and name HA) (resid 28 and name HN) 5.0 3.2 0.2 ! 220  
assign (resid 28 and name HB*) (resid 28 and name HN) 2.7 0.9 1.2 ! 223  
assign (resid 28 and name HA) (resid 28 and name HN) 2.7 0.9 0.2 ! 225  
assign (resid 27 and name HA) (resid 28 and name HN) 2.7 0.9 0.2 ! 226  
assign (resid 39 and name HG1#) (resid 28 and name HN) 3.3 1.5 1.7 ! 227  
assign (resid 39 and name HG2#) (resid 28 and name HN) 5.0 3.2 1.7 ! 228  
assign (resid 28 and name HN) (resid 29 and name HN) 5.0 3.2 0.4 ! 233  221  
assign (resid 29 and name HB*) (resid 29 and name HN) 2.7 0.9 1.2 ! 235  234  
assign (resid 29 and name HA) (resid 29 and name HN) 3.3 1.5 0.2 ! 236  
assign (resid 28 and name HA) (resid 29 and name HN) 2.7 0.9 0.2 ! 237  
assign (resid 40 and name HN) (resid 30 and name HN) 5.0 3.2 0.4 ! 238  
assign (resid 38 and name HN) (resid 30 and name HN) 3.3 1.5 0.4 ! 239  
assign (resid 29 and name HD#) (resid 30 and name HN) 5.0 3.2 2.2 ! 240  
assign (resid 30 and name HB*) (resid 30 and name HN) 5.0 3.2 0.2 ! 242  
assign (resid 39 and name HA) (resid 30 and name HN) 3.3 1.5 0.2 ! 244  
assign (resid 29 and name HN) (resid 30 and name HN) 5.0 3.2 0.4 ! 247  
assign (resid 30 and name HA) (resid 30 and name HN) 2.7 0.9 0.2 ! 248  
assign (resid 39 and name HG2#) (resid 30 and name HN) 5.0 3.2 1.7 ! 249  
assign (resid 39 and name HG1#) (resid 30 and name HN) 5.0 3.2 1.7 ! 250  
assign (resid 29 and name HB*) (resid 30 and name HN) 2.7 0.9 1.2 ! 252  251  
assign (resid 30 and name HG2#) (resid 30 and name HN) 2.7 0.9 1.7 ! 253  
assign (resid 29 and name HA) (resid 30 and name HN) 2.7 0.9 0.2 ! 254  
assign (resid 30 and name HB*) (resid 31 and name HN) 2.7 0.9 0.2 ! 255  
assign (resid 31 and name HB*) (resid 31 and name HN) 2.7 0.9 1.2 ! 257  
assign (resid 30 and name HG2#) (resid 31 and name HN) 3.3 1.5 1.7 ! 258  
assign (resid 30 and name HA) (resid 31 and name HN) 2.7 0.9 0.2 ! 259  
assign (resid 31 and name HA) (resid 31 and name HN) 2.7 0.9 0.2 ! 260  
assign (resid 32 and name HB*) (resid 32 and name HN) 5.0 3.2 1.2 ! 266  
assign (resid 31 and name HA) (resid 32 and name HN) 3.3 1.5 0.2 ! 267  
assign (resid 31 and name HB*) (resid 32 and name HN) 5.0 3.2 1.2 ! 268  
assign (resid 32 and name HN) (resid 33 and name HN) 5.0 3.2 0.4 ! 269  264  
assign (resid 33 and name HB*) (resid 33 and name HN) 2.7 0.9 1.2 ! 271  
assign (resid 33 and name HA) (resid 33 and name HN) 2.7 0.9 0.2 ! 272  
assign (resid 32 and name HB*) (resid 33 and name HN) 5.0 3.2 1.2 ! 273  
assign (resid 33 and name HA) (resid 34 and name HN) 3.3 1.5 0.2 ! 277  
assign (resid 33 and name HN) (resid 34 and name HN) 2.7 0.9 0.4 ! 278  270  
assign (resid 35 and name HN) (resid 34 and name HN) 5.0 3.2 0.4 ! 279  
assign (resid 34 and name HB*) (resid 34 and name HN) 2.7 0.9 1.2 ! 281  280  
assign (resid 33 and name HB*) (resid 34 and name HN) 5.0 3.2 1.2 ! 283  
assign (resid 35 and name HB*) (resid 35 and name HN) 3.3 1.5 1.2 ! 286  
assign (resid 35 and name HA) (resid 35 and name HN) 5.0 3.2 0.2 ! 287  
assign (resid 34 and name HB*) (resid 35 and name HN) 5.0 3.2 1.2 ! 289  288  
assign (resid 34 and name HA) (resid 35 and name HN) 2.7 0.9 0.2 ! 290  
assign (resid 36 and name HB*) (resid 36 and name HN) 3.3 1.5 1.2 ! 296  295  
assign (resid 35 and name HN) (resid 36 and name HN) 3.3 1.5 0.4 ! 299  285  
assign (resid 35 and name HB*) (resid 36 and name HN) 3.3 1.5 1.2 ! 300  
assign (resid 35 and name HA) (resid 36 and name HN) 5.0 3.2 0.2 ! 301  
assign (resid 36 and name HN) (resid 37 and name HN) 5.0 3.2 0.4 ! 303  297  
assign (resid 37 and name HD#) (resid 37 and name HN) 5.0 3.2 1.7 ! 305  
assign (resid 37 and name HA) (resid 37 and name HN) 2.7 0.9 0.2 ! 307  
assign (resid 36 and name HB*) (resid 37 and name HN) 3.3 1.5 1.2 ! 309  308  
assign (resid 36 and name HG#) (resid 37 and name HN) 5.0 3.2 1.7 ! 310  
assign (resid 36 and name HA) (resid 37 and name HN) 2.7 0.9 0.2 ! 311  
assign (resid 30 and name HG2#) (resid 38 and name HN) 3.3 1.5 1.7 ! 313  
assign (resid 38 and name HB*) (resid 38 and name HN) 2.7 0.9 1.2 ! 315  
assign (resid 38 and name HA) (resid 38 and name HN) 2.7 0.9 0.2 ! 316  
assign (resid 37 and name HA) (resid 38 and name HN) 2.7 0.9 0.2 ! 317  
assign (resid 53 and name HD#) (resid 39 and name HN) 3.3 1.5 1.7 ! 322  321  
assign (resid 52 and name HA) (resid 39 and name HN) 5.0 3.2 0.2 ! 323  
assign (resid 39 and name HG2#) (resid 39 and name HN) 3.3 1.5 1.7 ! 324  
assign (resid 39 and name HB*) (resid 39 and name HN) 2.7 0.9 1.2 ! 325  
assign (resid 39 and name HA) (resid 39 and name HN) 3.3 1.5 0.2 ! 326  
assign (resid 38 and name HA) (resid 39 and name HN) 2.7 0.9 0.2 ! 327  
assign (resid 38 and name HB*) (resid 39 and name HN) 2.7 0.9 1.2 ! 328  
assign (resid 39 and name HG1#) (resid 39 and name HN) 5.0 3.2 1.7 ! 329  
assign (resid 29 and name HA) (resid 40 and name HN) 5.0 3.2 0.2 ! 332  
assign (resid 28 and name HG#) (resid 40 and name HN) 5.0 3.2 1.7 ! 334  333  
assign (resid 40 and name HG2#) (resid 40 and name HN) 2.7 0.9 1.7 ! 335  
assign (resid 40 and name HD#) (resid 40 and name HN) 3.3 1.5 1.7 ! 336  
assign (resid 40 and name HB*) (resid 40 and name HN) 2.7 0.9 0.2 ! 337  
assign (resid 40 and name HA) (resid 40 and name HN) 3.3 1.5 0.2 ! 338  
assign (resid 39 and name HG2#) (resid 40 and name HN) 5.0 3.2 1.7 ! 339  
assign (resid 39 and name HG1#) (resid 40 and name HN) 2.7 0.9 1.7 ! 340  
assign (resid 40 and name HG1#) (resid 40 and name HN) 5.0 3.2 1.7 ! 341  
assign (resid 39 and name HA) (resid 40 and name HN) 2.7 0.9 0.2 ! 342  
assign (resid 48 and name HA) (resid 41 and name HN) 5.0 3.2 0.2 ! 344  
assign (resid 49 and name HB*) (resid 41 and name HN) 5.0 3.2 0.2 ! 345  
assign (resid 41 and name HD#) (resid 41 and name HN) 3.3 1.5 2.2 ! 349  
assign (resid 40 and name HN) (resid 41 and name HN) 5.0 3.2 0.4 ! 350  330  
assign (resid 41 and name HB*) (resid 41 and name HN) 2.7 0.9 1.2 ! 353  352  
assign (resid 41 and name HA) (resid 41 and name HN) 3.3 1.5 0.2 ! 354  
assign (resid 39 and name HG1#) (resid 41 and name HN) 5.0 3.2 1.7 ! 355  
assign (resid 40 and name HG2#) (resid 41 and name HN) 5.0 3.2 1.7 ! 357  
assign (resid 43 and name HN) (resid 42 and name HN) 5.0 3.2 0.4 ! 360  
assign (resid 41 and name HN) (resid 42 and name HN) 5.0 3.2 0.4 ! 361  351  
assign (resid 25 and name HN) (resid 42 and name HN) 5.0 3.2 0.4 ! 362  177  
assign (resid 24 and name HG1#) (resid 42 and name HN) 5.0 3.2 1.7 ! 363  
assign (resid 26 and name HN) (resid 42 and name HN) 2.7 0.9 0.4 ! 364  188  
assign (resid 41 and name HD#) (resid 42 and name HN) 3.3 1.5 2.2 ! 365  
assign (resid 42 and name HG2#) (resid 42 and name HN) 5.0 3.2 1.7 ! 366  
assign (resid 42 and name HB*) (resid 42 and name HN) 2.7 0.9 0.2 ! 367  
assign (resid 41 and name HB*) (resid 42 and name HN) 3.3 1.5 1.2 ! 370  369  
assign (resid 48 and name HA) (resid 43 and name HN) 3.3 1.5 0.2 ! 371  
assign (resid 43 and name HG2#) (resid 43 and name HN) 2.7 0.9 1.7 ! 374  
assign (resid 42 and name HG2#) (resid 43 and name HN) 2.7 0.9 1.7 ! 375  
assign (resid 43 and name HB*) (resid 43 and name HN) 5.0 3.2 0.2 ! 377  
assign (resid 42 and name HB*) (resid 43 and name HN) 5.0 3.2 0.2 ! 378  
assign (resid 24 and name HA) (resid 43 and name HN) 5.0 3.2 0.2 ! 379  
assign (resid 43 and name HG2#) (resid 44 and name HN) 2.7 0.9 1.7 ! 388  
assign (resid 43 and name HB*) (resid 44 and name HN) 2.7 0.9 0.2 ! 390  
assign (resid 43 and name HN) (resid 44 and name HN) 5.0 3.2 0.4 ! 391  380  
assign (resid 44 and name HG#) (resid 44 and name HN) 2.7 0.9 1.7 ! 392  
assign (resid 44 and name HB*) (resid 44 and name HN) 2.7 0.9 1.2 ! 393  
assign (resid 44 and name HA) (resid 44 and name HN) 3.3 1.5 0.2 ! 394  
assign (resid 45 and name HA) (resid 44 and name HN) 5.0 3.2 0.2 ! 395  
assign (resid 43 and name HA) (resid 45 and name HN) 5.0 3.2 0.2 ! 403  
assign (resid 43 and name HB*) (resid 45 and name HN) 5.0 3.2 0.2 ! 404  
assign (resid 44 and name HA) (resid 45 and name HN) 5.0 3.2 0.2 ! 408  
assign (resid 46 and name HA*) (resid 45 and name HN) 5.0 3.2 1.2 ! 409  407  
assign (resid 44 and name HN) (resid 45 and name HN) 5.0 3.2 0.4 ! 412  385  
assign (resid 45 and name HB*) (resid 45 and name HN) 2.7 0.9 1.2 ! 414  413  
assign (resid 45 and name HA) (resid 45 and name HN) 3.3 1.5 0.2 ! 415  
assign (resid 43 and name HB*) (resid 46 and name HN) 5.0 3.2 0.2 ! 418  
assign (resid 43 and name HA) (resid 46 and name HN) 5.0 3.2 0.2 ! 419  
assign (resid 43 and name HN) (resid 46 and name HN) 5.0 3.2 0.4 ! 420  381  
assign (resid 44 and name HN) (resid 46 and name HN) 5.0 3.2 0.4 ! 421  384  
assign (resid 45 and name HN) (resid 46 and name HN) 3.3 1.5 0.4 ! 422  411  
assign (resid 46 and name HA*) (resid 46 and name HN) 2.7 0.9 1.2 ! 425  424  
assign (resid 44 and name HA) (resid 46 and name HN) 5.0 3.2 0.2 ! 426  
assign (resid 45 and name HB*) (resid 46 and name HN) 5.0 3.2 1.2 ! 428  427  
assign (resid 45 and name HN) (resid 47 and name HN) 3.3 1.5 0.4 ! 429  401  
assign (resid 42 and name HA) (resid 47 and name HN) 5.0 3.2 0.2 ! 432  
assign (resid 43 and name HB*) (resid 47 and name HN) 5.0 3.2 0.2 ! 433  
assign (resid 43 and name HN) (resid 47 and name HN) 3.3 1.5 0.4 ! 435  382  
assign (resid 46 and name HN) (resid 47 and name HN) 2.7 0.9 0.4 ! 437  423  
assign (resid 47 and name HG#) (resid 47 and name HN) 3.3 1.5 1.7 ! 439  438  
assign (resid 47 and name HD#) (resid 47 and name HN) 3.3 1.5 1.7 ! 440  
assign (resid 47 and name HA) (resid 47 and name HN) 2.7 0.9 0.2 ! 441  
assign (resid 46 and name HA*) (resid 47 and name HN) 2.7 0.9 1.2 ! 443  442  
assign (resid 48 and name HA) (resid 48 and name HN) 3.3 1.5 0.2 ! 448  
assign (resid 47 and name HA) (resid 48 and name HN) 2.7 0.9 0.2 ! 449  
assign (resid 47 and name HG#) (resid 48 and name HN) 5.0 3.2 1.7 ! 450  
assign (resid 41 and name HB*) (resid 49 and name HN) 5.0 3.2 1.2 ! 453  452  
assign (resid 48 and name HB*) (resid 49 and name HN) 5.0 3.2 1.2 ! 455  
assign (resid 48 and name HN) (resid 49 and name HN) 5.0 3.2 0.4 ! 457  444  
assign (resid 49 and name HG2#) (resid 49 and name HN) 2.7 0.9 1.7 ! 458  
assign (resid 49 and name HG1#) (resid 49 and name HN) 5.0 3.2 1.7 ! 459  
assign (resid 49 and name HB*) (resid 49 and name HN) 2.7 0.9 0.2 ! 460  
assign (resid 49 and name HA) (resid 49 and name HN) 3.3 1.5 0.2 ! 461  
assign (resid 48 and name HA) (resid 49 and name HN) 2.7 0.9 0.2 ! 462  
assign (resid 49 and name HN) (resid 50 and name HN) 5.0 3.2 0.4 ! 469  
assign (resid 50 and name HB2) (resid 50 and name HN) 2.7 0.9 0.2 ! 471
assign (resid 50 and name HB1) (resid 50 and name HN) 3.3 1.8 0.2       ! 470
assign (resid 50 and name HA) (resid 50 and name HN) 3.3 1.5 0.2 ! 472  
assign (resid 49 and name HB*) (resid 50 and name HN) 5.0 3.2 0.2 ! 473  
assign (resid 49 and name HG1#) (resid 50 and name HN) 3.3 1.5 1.7 ! 475  474  
assign (resid 49 and name HA) (resid 50 and name HN) 2.7 0.9 0.2 ! 476  
assign (resid 39 and name HN) (resid 51 and name HN) 3.3 1.5 0.4 ! 477  319  
assign (resid 40 and name HD#) (resid 51 and name HN) 5.0 3.2 1.7 ! 481  480  
assign (resid 39 and name HG1#) (resid 51 and name HN) 5.0 3.2 1.7 ! 482  
assign (resid 51 and name HG2#) (resid 51 and name HN) 2.7 0.9 1.7 ! 483  
assign (resid 50 and name HN) (resid 51 and name HN) 5.0 3.2 0.4 ! 484  
assign (resid 51 and name HA) (resid 51 and name HN) 3.3 1.5 0.2 ! 486  
assign (resid 51 and name HB*) (resid 51 and name HN) 5.0 3.2 0.2 ! 488  
assign (resid 50 and name HB1) (resid 51 and name HN) 5.0 3.2 0.2      ! 485
assign (resid 52 and name HD#) (resid 52 and name HN) 3.3 1.5 2.2 ! 490  
assign (resid 14 and name HB*) (resid 52 and name HN) 5.0 3.2 1.2 ! 493  492  
assign (resid 51 and name HG2#) (resid 52 and name HN) 3.3 1.5 1.7 ! 495  
assign (resid 52 and name HB*) (resid 52 and name HN) 2.7 0.9 1.2 ! 497  496  
assign (resid 52 and name HA) (resid 52 and name HN) 2.7 0.9 0.2 ! 498  
assign (resid 51 and name HA) (resid 52 and name HN) 2.7 0.9 0.2 ! 499  
assign (resid 51 and name HB*) (resid 52 and name HN) 2.7 0.9 0.2 ! 500  
assign (resid 53 and name HD#) (resid 52 and name HN) 5.0 3.2 1.7 ! 501  
assign (resid 54 and name HG#) (resid 54 and name HN) 2.7 0.9 1.7 ! 505  
assign (resid 54 and name HB*) (resid 54 and name HN) 2.7 0.9 1.2 ! 507  506  
assign (resid 54 and name HA) (resid 54 and name HN) 3.3 1.5 0.2 ! 508  
assign (resid 52 and name HB*) (resid 54 and name HN) 5.0 3.2 1.2 ! 510  509  
assign (resid 52 and name HA) (resid 54 and name HN) 5.0 3.2 0.2 ! 511  
assign (resid 53 and name HD#) (resid 54 and name HN) 5.0 3.2 1.7 ! 513  512  
assign (resid 53 and name HA) (resid 54 and name HN) 5.0 3.2 0.2 ! 514  
assign (resid 58 and name HG2#) (resid 55 and name HN) 5.0 3.2 1.7 ! 515  
assign (resid 58 and name HN) (resid 55 and name HN) 5.0 3.2 0.4 ! 517  
assign (resid 54 and name HB*) (resid 55 and name HN) 5.0 3.2 1.2 ! 518  
assign (resid 54 and name HN) (resid 55 and name HN) 2.7 0.9 0.4 ! 521  504  
assign (resid 55 and name HA) (resid 55 and name HN) 2.7 0.9 0.2 ! 523  
assign (resid 52 and name HB*) (resid 55 and name HN) 5.0 3.2 1.2 ! 525  524  
assign (resid 53 and name HA) (resid 55 and name HN) 5.0 3.2 0.2 ! 526  
assign (resid 55 and name HN) (resid 56 and name HN) 5.0 3.2 0.4 ! 528  
assign (resid 55 and name HA) (resid 56 and name HN) 2.7 0.9 0.2 ! 530  
assign (resid 56 and name HA) (resid 56 and name HN) 5.0 3.2 0.2 ! 534  
assign (resid 57 and name HE1) (resid 57 and name HN) 5.0 3.2 2.2 ! 535  
assign (resid 57 and name HD#) (resid 57 and name HN) 2.7 0.9 2.2 ! 539  
assign (resid 57 and name HD#) (resid 57 and name HE1) 2.7 0.9 4.0 ! 541  
assign (resid 57 and name HZ2) (resid 57 and name HE1) 2.7 0.9 4.0 ! 542  
assign (resid 57 and name HB*) (resid 57 and name HE1) 5.0 3.2 3.0 ! 543  
assign (resid 58 and name HG2#) (resid 57 and name HE1) 5.0 3.2 3.5 ! 549  
assign (resid 56 and name HN) (resid 57 and name HN) 5.0 3.2 0.4 ! 550  527  
assign (resid 57 and name HB*) (resid 57 and name HN) 2.7 0.9 1.2 ! 551  
assign (resid 56 and name HA) (resid 57 and name HN) 5.0 3.2 0.2 ! 553  
assign (resid 58 and name HG2#) (resid 57 and name HN) 5.0 3.2 1.7 ! 554  
assign (resid 57 and name HD#) (resid 58 and name HN) 5.0 3.2 2.2 ! 556  
assign (resid 57 and name HB*) (resid 58 and name HN) 5.0 3.2 1.2 ! 560  
assign (resid 57 and name HE3) (resid 58 and name HN) 5.0 3.2 2.2 ! 561  
assign (resid 58 and name HG2#) (resid 58 and name HN) 2.7 0.9 1.7 ! 564  
assign (resid 58 and name HG1#) (resid 58 and name HN) 5.0 3.2 1.7 ! 565  
assign (resid 58 and name HB*) (resid 58 and name HN) 2.7 0.9 0.2 ! 566  
assign (resid 58 and name HA) (resid 58 and name HN) 5.0 3.2 0.2 ! 567  
assign (resid 56 and name HA) (resid 58 and name HN) 5.0 3.2 0.2 ! 568  
assign (resid 57 and name HA) (resid 58 and name HN) 5.0 3.2 0.2 ! 569  
assign (resid 60 and name HA) (resid 59 and name HN) 5.0 3.2 0.2 ! 571  
assign (resid 57 and name HN) (resid 59 and name HN) 5.0 3.2 0.4 ! 573  540  
assign (resid 58 and name HN) (resid 59 and name HN) 2.7 0.9 0.4 ! 574  563  
assign (resid 59 and name HG#) (resid 59 and name HN) 2.7 0.9 1.7 ! 577  576  
assign (resid 59 and name HB*) (resid 59 and name HN) 2.7 0.9 1.2 ! 579  578  
assign (resid 59 and name HA) (resid 59 and name HN) 2.7 0.9 0.2 ! 580  
assign (resid 58 and name HB*) (resid 59 and name HN) 2.7 0.9 0.2 ! 581  
assign (resid 57 and name HA) (resid 59 and name HN) 5.0 3.2 0.2 ! 583  
assign (resid 58 and name HA) (resid 59 and name HN) 5.0 3.2 0.2 ! 585  584  
assign (resid 58 and name HG2#) (resid 59 and name HN) 5.0 3.2 1.7 ! 586  
assign (resid 58 and name HG1#) (resid 59 and name HN) 3.3 1.5 1.7 ! 587  
assign (resid 61 and name HD#) (resid 60 and name HN) 5.0 3.2 2.2 ! 588  
assign (resid 59 and name HN) (resid 60 and name HN) 2.7 0.9 0.4 ! 589  575  
assign (resid 60 and name HG#) (resid 60 and name HN) 3.3 1.5 1.7 ! 591  
assign (resid 60 and name HB*) (resid 60 and name HN) 2.7 0.9 1.2 ! 593  592  
assign (resid 60 and name HA) (resid 60 and name HN) 2.7 0.9 0.2 ! 594  
assign (resid 59 and name HA) (resid 60 and name HN) 5.0 3.2 0.2 ! 596  
assign (resid 57 and name HA) (resid 60 and name HN) 3.3 1.5 0.2 ! 598  
assign (resid 60 and name HB*) (resid 61 and name HN) 2.7 0.9 1.2 ! 604  603  
assign (resid 61 and name HB2) (resid 61 and name HN) 2.7 0.9 0.2      ! 606
assign (resid 61 and name HB1) (resid 61 and name HN) 5.0 3.2 0.2      ! 599
assign (resid 61 and name HA) (resid 61 and name HN) 2.7 0.9 0.2 ! 607  
assign (resid 58 and name HB*) (resid 61 and name HN) 5.0 3.2 0.2 ! 608  
assign (resid 57 and name HA) (resid 61 and name HN) 5.0 3.2 0.2 ! 609  
assign (resid 60 and name HA) (resid 61 and name HN) 5.0 3.2 0.2 ! 610  
assign (resid 58 and name HA) (resid 61 and name HN) 5.0 3.2 0.2 ! 611  
assign (resid 61 and name HD#) (resid 62 and name HN) 5.0 3.2 2.2 ! 612  
assign (resid 61 and name HN) (resid 62 and name HN) 2.7 0.9 0.4 ! 617  
assign (resid 62 and name HG1#) (resid 62 and name HN) 2.7 0.9 1.7 ! 618  
assign (resid 62 and name HG2#) (resid 62 and name HN) 2.7 0.9 1.7 ! 619  
assign (resid 62 and name HA) (resid 62 and name HN) 2.7 0.9 0.2 ! 621  
assign (resid 59 and name HA) (resid 62 and name HN) 3.3 1.5 0.2 ! 622  
assign (resid 58 and name HA) (resid 62 and name HN) 5.0 3.2 0.2 ! 623  
assign (resid 61 and name HA) (resid 62 and name HN) 3.3 1.5 0.2 ! 624  
assign (resid 61 and name HN) (resid 63 and name HN) 5.0 3.2 0.4 ! 625  
assign (resid 62 and name HN) (resid 63 and name HN) 2.7 0.9 0.4 ! 626  616  
assign (resid 62 and name HA) (resid 63 and name HN) 5.0 3.2 0.2 ! 628  
assign (resid 62 and name HG2#) (resid 63 and name HN) 3.3 1.5 1.7 ! 633  
assign (resid 62 and name HG1#) (resid 63 and name HN) 5.0 3.2 1.7 ! 634  
assign (resid 63 and name HB*) (resid 63 and name HN) 2.7 0.9 1.2 ! 635  
assign (resid 63 and name HA) (resid 63 and name HN) 2.7 0.9 0.2 ! 636  
assign (resid 59 and name HA) (resid 63 and name HN) 5.0 3.2 0.2 ! 637  
assign (resid 61 and name HA) (resid 63 and name HN) 5.0 3.2 0.2 ! 638  
assign (resid 21 and name HH2) (resid 64 and name HN) 5.0 3.2 2.2 ! 639  
assign (resid 21 and name HZ3) (resid 64 and name HN) 5.0 3.2 2.2 ! 640  
assign (resid 64 and name HD1#) (resid 64 and name HN) 5.0 3.2 1.7 ! 644  
assign (resid 64 and name HD2#) (resid 64 and name HN) 5.0 3.2 1.7 ! 646  
assign (resid 64 and name HG#) (resid 64 and name HN) 2.7 0.9 1.7 ! 648  
assign (resid 64 and name HB2) (resid 64 and name HN) 2.7 0.9 0.2      ! 649
assign (resid 64 and name HB1) (resid 64 and name HN) 5.0 3.3 0.2      ! 647
assign (resid 61 and name HA) (resid 64 and name HN) 3.3 1.5 0.2 ! 651  
assign (resid 63 and name HB*) (resid 64 and name HN) 3.3 1.5 1.2 ! 652  
assign (resid 21 and name HH2) (resid 65 and name HN) 5.0 3.2 2.2 ! 653  
assign (resid 27 and name HD#) (resid 65 and name HN) 5.0 3.2 2.2 ! 654  
assign (resid 64 and name HB2) (resid 65 and name HN) 3.3 1.5 0.2      ! 656
assign (resid 64 and name HB1) (resid 65 and name HN) 5.0 3.2 0.2      ! 658
assign (resid 65 and name HG#) (resid 65 and name HN) 2.7 0.9 1.7 ! 655  
assign (resid 65 and name HD1#) (resid 65 and name HN) 3.3 1.5 1.7 ! 659
assign (resid 65 and name HD2#) (resid 65 and name HN) 5.0 3.2 1.7 ! 660  
assign (resid 64 and name HN) (resid 65 and name HN) 2.7 0.9 0.4 ! 662  645  
assign (resid 65 and name HB*) (resid 65 and name HN) 2.7 0.9 1.2 ! 664  663  
assign (resid 65 and name HA) (resid 65 and name HN) 2.7 0.9 0.2 ! 665  
assign (resid 61 and name HA) (resid 65 and name HN) 3.3 1.5 0.2 ! 666  
assign (resid 63 and name HB*) (resid 65 and name HN) 5.0 3.2 1.2 ! 667  
assign (resid 27 and name HE#) (resid 66 and name HN) 5.0 3.2 2.2 ! 672  
assign (resid 65 and name HA) (resid 66 and name HN) 3.3 1.5 0.2 ! 675  
assign (resid 27 and name HE#) (resid 67 and name HN) 5.0 3.2 2.2 ! 677  
assign (resid 67 and name HG2#) (resid 67 and name HN) 5.0 3.2 1.7 ! 679  
assign (resid 67 and name HB*) (resid 67 and name HN) 2.7 0.9 0.2 ! 680  
assign (resid 67 and name HA) (resid 67 and name HN) 2.7 0.9 0.2 ! 681  
assign (resid 69 and name HG#) (resid 69 and name HN) 5.0 3.2 1.7 ! 682  
assign (resid 69 and name HB*) (resid 69 and name HN) 2.7 0.9 1.2 ! 683  
assign (resid 69 and name HA) (resid 69 and name HN) 2.7 0.9 0.2 ! 684  
assign (resid 70 and name HB*) (resid 70 and name HN) 5.0 3.2 1.2 ! 689  688  
assign (resid 71 and name HB*) (resid 71 and name HN) 5.0 3.2 1.2 ! 691  
assign (resid 71 and name HA) (resid 71 and name HN) 5.0 3.2 0.2 ! 692  
assign (resid 58 and name HN) (resid 57 and name HN) 3.3 1.5 0.4 ! 693  562  
assign (resid 61 and name HD#) (resid 61 and name HN) 2.7 0.9 2.2 ! 694  
assign (resid 59 and name HN) (resid 61 and name HN) 5.0 3.2 0.4 ! 695  570  
assign (resid 57 and name HZ2) (resid 61 and name HN) 5.0 3.2 2.2 ! 696  
assign (resid 60 and name HN) (resid 61 and name HN) 2.7 0.9 0.4 ! 698  590  
assign (resid 52 and name HN) (resid 51 and name HN) 5.0 3.2 0.4 ! 702  
assign (resid 23 and name HN) (resid 21 and name HN) 5.0 3.2 0.4 ! 706  140  
assign (resid 27 and name HD#) (resid 40 and name HN) 5.0 3.2 2.2 ! 707  
assign (resid 47 and name HN) (resid 48 and name HN) 5.0 3.2 0.4 ! 716  430  
assign (resid 61 and name HN) (resid 64 and name HN) 5.0 3.2 0.4 ! 717  697  
assign (resid 25 and name HN) (resid 43 and name HN) 5.0 3.2 0.4 ! 724  176  
assign (resid 28 and name HN) (resid 42 and name HN) 5.0 3.2 0.4 ! 725  216  
assign (resid 44 and name HN) (resid 23 and name HN) 5.0 3.2 0.4 ! 729  
assign (resid 23 and name HE1) (resid 23 and name HN) 5.0 3.2 2.2 ! 731  
assign (resid 10 and name HN) (resid 11 and name HN) 5.0 3.2 0.4 ! 732  
assign (resid 41 and name HD#) (resid 26 and name HN) 5.0 3.2 2.2 ! 747  
assign (resid 43 and name HN) (resid 26 and name HN) 5.0 3.2 0.4 ! 748  
assign (resid 31 and name HN) (resid 30 and name HN) 5.0 3.2 0.4 ! 750  
assign (resid 3 and name HA*) (resid 3 and name HN) 5.0 3.2 1.2 ! 751  
assign (resid 2 and name HA) (resid 3 and name HN) 5.0 3.2 0.2 ! 752  
assign (resid 50 and name HN) (resid 15 and name HN) 5.0 3.2 0.4 ! 757  463  
assign (resid 57 and name HE1) (resid 58 and name HN) 5.0 3.2 2.2 ! 758  
assign (resid 58 and name HN) (resid 60 and name HN) 5.0 3.2 0.4 ! 759  555  
assign (resid 28 and name HN) (resid 27 and name HN) 5.0 3.2 0.4  ! 762  222  
assign (resid 40 and name HD#) (resid 39 and name HN) 5.0 3.2 1.7 ! 764  
assign (resid 14 and name HE#) (resid 14 and name HN) 5.0 3.2 2.2 ! 769  
assign (resid 45 and name HA) (resid 46 and name HN) 3.3 1.5 0.2 ! 774  
assign (resid 4 and name HB*) (resid 5 and name HN) 5.0 3.2 1.2 ! 775  
assign (resid 57 and name HE3) (resid 57 and name HN) 5.0 3.2 2.2 ! 776  
assign (resid 41 and name HD#) (resid 27 and name HN) 5.0 3.2 2.2 ! 778  
assign (resid 42 and name HA) (resid 49 and name HN) 2.7 0.9 0.2 ! 779  
assign (resid 16 and name HA) (resid 17 and name HN) 3.3 1.5 0.2 ! 88  
assign (resid 18 and name HD#) (resid 17 and name HN) 5.0 3.2 1.7 ! 90  
assign (resid 16 and name HB*) (resid 17 and name HN) 5.0 3.2 1.2 ! 92  91  
assign (resid 57 and name HZ2) (resid 19 and name HN) 5.0 3.2 2.2 ! 98  
assign (resid 57 and name HH2) (resid 19 and name HN) 3.3 1.5 2.2 ! 99  
assign (resid 57 and name HZ3) (resid 19 and name HN) 5.0 3.2 2.2 ! 101  
assign (resid 57 and name HE3) (resid 19 and name HN) 5.0 3.2 2.2 ! 102  
assign (resid 20 and name HB*) (resid 23 and name HE1) 5.0 3.2 3.0 ! 143  
assign (resid 20 and name HG#) (resid 23 and name HE1) 5.0 3.2 3.5 ! 144  
assign (resid 44 and name HA) (resid 25 and name HN) 5.0 3.2 0.2 ! 171  
assign (resid 43 and name HB*) (resid 25 and name HN) 5.0 3.2 0.2 ! 173  
assign (resid 24 and name HA) (resid 25 and name HN) 2.7 0.9 0.2 ! 186  
assign (resid 58 and name HG1#) (resid 61 and name HN) 5.0 3.2 1.7 ! 600  
assign (resid 62 and name HG1#) (resid 61 and name HN) 5.0 3.2 1.7 ! 602  
assign (resid 60 and name HG#) (resid 61 and name HN) 3.3 1.5 1.7 ! 605  
assign (resid 59 and name HB*) (resid 62 and name HN) 5.0 3.2 1.2 ! 615  
assign (resid 60 and name HB*) (resid 63 and name HN) 5.0 3.2 1.2 ! 630  629  
assign (resid 64 and name HG#) (resid 65 and name HN) 5.0 3.2 1.7 ! 657  
assign (resid 64 and name HD1#) (resid 65 and name HN) 5.0 3.2 1.7 ! 661  
assign (resid 65 and name HD2#) (resid 66 and name HN) 5.0 3.2 1.7 ! 668  
assign (resid 66 and name HB*) (resid 66 and name HN) 2.7 0.9 1.2 ! 670  669  
assign (resid 66 and name HA) (resid 66 and name HN) 2.7 0.9 0.2 ! 673  
assign (resid 63 and name HA) (resid 66 and name HN) 5.0 3.2 0.2 ! 674  
assign (resid 60 and name HN) (resid 58 and name HA) 5.0 3.2 0.2 ! 780  
assign (resid 58 and name HG1#) (resid 62 and name HN) 5.0 3.2 1.7 ! 781  
assign (resid 15 and name HB*) (resid 17 and name HN) 5.0 3.2 1.2 ! 783  
assign (resid 50 and name HB2) (resid 15 and name HN) 5.0 3.2 0.2      ! 79
assign (resid 24 and name HG2#) (resid 23 and name HN) 3.3 1.5 1.7 ! 139  
assign (resid 43 and name HB*) (resid 25 and name HN) 5.0 3.2 1.2 ! 173  
assign (resid 28 and name HG#) (resid 27 and name HN) 5.0 3.2 1.7 ! 206  
assign (resid 40 and name HD#) (resid 28 and name HN) 5.0 3.2 1.7 ! 215  
assign (resid 40 and name HB*) (resid 28 and name HN) 3.3 1.5 0.2 ! 214  
assign (resid 38 and name HB*) (resid 30 and name HN) 5.0 3.2 1.2 ! 245  
assign (resid 36 and name HG#) (resid 36 and name HN) 3.3 1.5 1.7 ! 294  
assign (resid 34 and name HB*) (resid 36 and name HN) 2.7 0.9 1.2 ! 293  302  
assign (resid 29 and name HA) (resid 38 and name HN) 5.0 3.2 0.2 ! 768  
assign (resid 42 and name HG2#) (resid 41 and name HN) 5.0 3.2 1.7 ! 347  
assign (resid 27 and name HA) (resid 42 and name HN) 3.3 1.5 0.2 ! 728  
assign (resid 43 and name HG2#) (resid 42 and name HN) 5.0 3.2 1.7 ! 359  
assign (resid 48 and name HB*) (resid 43 and name HN) 5.0 3.2 1.2 ! 373  
assign (resid 23 and name HA) (resid 44 and name HN) 3.3 1.5 0.2 ! 786  
assign (resid 43 and name HA) (resid 44 and name HN) 2.7 0.9 0.2 ! 389  
assign (resid 40 and name HD#) (resid 50 and name HN) 5.0 3.2 1.7 ! 467  
assign (resid 14 and name HA) (resid 50 and name HN) 5.0 3.2 0.2 ! 465  
assign (resid 56 and name HB*) (resid 56 and name HN) 3.3 1.5 1.2 ! 531  
assign (resid 56 and name HB*) (resid 58 and name HN) 5.0 3.2 1.2 ! 558  
assign (resid 6 and name HG1#) (resid 6 and name HN) 5.0 3.2 1.7 ! 6  
assign (resid 6 and name HD#) (resid 6 and name HN) 5.0 3.2 1.7 ! 7  
assign (resid 6 and name HB*) (resid 7 and name HN) 5.0 3.2 0.2 ! 11  
assign (resid 6 and name HD#) (resid 7 and name HN) 5.0 3.2 1.7 ! 12  
assign (resid 8 and name HB*) (resid 9 and name HN) 5.0 3.2 1.2 ! 26  
assign (resid 8 and name HG#) (resid 9 and name HN) 5.0 3.2 1.7 ! 27  
assign (resid 38 and name HB*) (resid 11 and name HN) 5.0 3.2 1.2 ! 40  
assign (resid 30 and name HG2#) (resid 11 and name HN) 3.3 1.5 1.7 ! 42  
assign (resid 11 and name HB*) (resid 12 and name HN) 5.0 3.2 1.2 ! 50  
assign (resid 50 and name HB*) (resid 13 and name HN) 5.0 3.2 1.2 ! 57  
assign (resid 13 and name HG#) (resid 14 and name HN) 5.0 3.2 1.7 ! 72  
assign (resid 13 and name HB*) (resid 14 and name HN) 3.3 1.5 1.2 ! 74  73  
assign (resid 51 and name HG2#) (resid 15 and name HN) 5.0 3.2 1.7 ! 82  
assign (resid 49 and name HG1#) (resid 15 and name HN) 5.0 3.2 1.7 ! 83  
assign (resid 64 and name HD1#) (resid 21 and name HE1) 5.0 3.2 3.5 ! 112  
assign (resid 61 and name HE#) (resid 21 and name HN) 5.0 3.2 2.2 ! 114  
assign (resid 24 and name HG2#) (resid 21 and name HN) 5.0 3.2 1.7 ! 116  
assign (resid 48 and name HD#) (resid 43 and name HN) 5.0 3.2 1.7 ! 372  
assign (resid 44 and name HB*) (resid 45 and name HN) 5.0 3.2 1.2 ! 398  397  
assign (resid 43 and name HG2#) (resid 45 and name HN) 5.0 3.2 1.7 ! 399  
assign (resid 44 and name HG#) (resid 45 and name HN) 5.0 3.2 1.7 ! 400  
assign (resid 45 and name HG#) (resid 45 and name HN) 5.0 3.2 1.7 ! 410  
assign (resid 62 and name HA) (resid 65 and name HN) 5.0 3.2 0.2 ! 2398  
assign (resid 59 and name HN) (resid 59 and name HE2#) 5.0 3.2 1.7 ! 2402  
assign (resid 60 and name HA) (resid 63 and name HN) 5.0 3.2 0.2 ! 2408  
assign (resid 57 and name HA) (resid 57 and name HN) 3.3 1.5 0.2 ! 2413  
assign (resid 56 and name HA) (resid 59 and name HN) 3.3 1.5 0.2 ! 2421  
assign (resid 56 and name HA) (resid 60 and name HN) 5.0 3.2 0.2 ! 2423  
assign (resid 43 and name HA) (resid 43 and name HN) 3.3 1.5 0.2 ! 2428  
assign (resid 21 and name HA) (resid 21 and name HN) 3.3 1.5 0.2 ! 2436  
assign (resid 42 and name HA) (resid 42 and name HN) 5.0 3.2 0.2 ! 2495  
assign (resid 48 and name HB*) (resid 48 and name HN) 5.0 3.2 1.2 ! 2508  2506  
assign (resid 28 and name HB*) (resid 29 and name HN) 5.0 3.2 1.2 ! 2513  2512  
assign (resid 59 and name HG#) (resid 59 and name HE2#) 5.0 3.2 3.0 ! 2520  2517  2515  2514  
assign (resid 27 and name HA) (resid 40 and name HN) 5.0 3.2 0.2 ! 2585  
assign (resid 40 and name HD#) (resid 41 and name HN) 5.0 3.2 1.7 ! 2610  
assign (resid 28 and name HG#) (resid 28 and name HN) 5.0 3.2 1.7 ! 2612  2611  
assign (resid 28 and name HG#) (resid 29 and name HN) 5.0 3.2 1.7 ! 2614  2613  
assign (resid 24 and name HG1#) (resid 25 and name HN) 3.3 1.5 1.7 ! 2616  
assign (resid 43 and name HG#) (resid 25 and name HN) 5.0 3.2 1.7 ! 2619  
assign (resid 46 and name HA*) (resid 43 and name HN) 5.0 3.2 1.2 ! 2628  
assign (resid 30 and name HN) (resid 38 and name O) 2.3 0.6 0.0
assign (resid 61 and name HN) (resid 57 and name O) 2.3 0.6 0.0
assign (resid 65 and name HN) (resid 61 and name O) 2.3 0.6 0.0
assign (resid 25 and name HN) (resid 42 and name O) 2.3 0.6 0.0
assign (resid 62 and name HN) (resid 58 and name O) 2.3 0.6 0.0
assign (resid 28 and name HN) (resid 40 and name O) 2.3 0.6 0.0
assign (resid 39 and name HN) (resid 51 and name O) 2.3 0.6 0.0
assign (resid 42 and name HN) (resid 26 and name O) 2.3 0.6 0.0
assign (resid 26 and name HN) (resid 42 and name O) 2.3 0.6 0.0
assign (resid 40 and name HN) (resid 28 and name O) 2.3 0.6 0.0
assign (resid 41 and name HN) (resid 49 and name O) 2.3 0.6 0.0
assign (resid 49 and name HN) (resid 41 and name O) 2.3 0.6 0.0
assign (resid 58 and name HN) (resid 55 and name O) 2.3 0.6 0.0
assign (resid 23 and name HN) (resid 20 and name O) 2.3 0.6 0.0
assign (resid 24 and name HN) (resid 21 and name O) 2.3 0.6 0.0
assign (resid 63 and name HN) (resid 59 and name O) 2.3 0.6 0.0
assign (resid 64 and name HN) (resid 60 and name O) 2.3 0.6 0.0
restraints
  dihedral
      reset
assign (resid  2  and name c ) (resid  3  and name n )
  (resid  3   and name ca) (resid  3   and name c )   1.0 -120.0 60.0 2  ! 7.894
assign (resid  3  and name c ) (resid  4  and name n )
  (resid  4   and name ca) (resid  4   and name c )   1.0 -120.0 60.0 2  ! 7.325
assign (resid  4  and name c ) (resid  5  and name n )
  (resid  5   and name ca) (resid  5   and name c )   1.0 -120.0 60.0 2  ! 7.331
assign (resid  5  and name c ) (resid  6  and name n )
  (resid  6   and name ca) (resid  6   and name c )   1.0 -120.0 60.0 2  ! 7.381
assign (resid  6  and name c ) (resid  7  and name n )
  (resid  7   and name ca) (resid  7   and name c )   1.0 -100.0 80.0 2  ! *6.909
assign (resid  7  and name c ) (resid  8  and name n )
  (resid  8   and name ca) (resid  8   and name c )   1.0 -120.0 60.0 2  ! 7.762
assign (resid  8  and name c ) (resid  9  and name n )
  (resid  9   and name ca) (resid  9   and name c )   1.0 -120.0 50.0 2  ! 8.962
assign (resid  10  and name c ) (resid  11  and name n )
  (resid  11   and name ca) (resid  11   and name c )   1.0 -120.0 40.0 2  ! 9.221
assign (resid  11  and name c ) (resid  12  and name n )
  (resid  12   and name ca) (resid  12   and name c )   1.0 -120.0 40.0 2  ! 9.565
assign (resid  12  and name c ) (resid  13  and name n )
  (resid  13   and name ca) (resid  13   and name c )   1.0 -120.0 50.0 2  ! 8.633
assign (resid  13  and name c ) (resid  14  and name n )
  (resid  14   and name ca) (resid  14   and name c )   1.0 -120.0 40.0 2  ! 9.307
assign (resid  14  and name c ) (resid  15  and name n )
  (resid  15   and name ca) (resid  15   and name c )   1.0 -120.0 60.0 2  ! 7.156
assign (resid  16  and name c ) (resid  17  and name n )
  (resid  17   and name ca) (resid  17   and name c )   1.0 -120.0 60.0 2  ! 7.935
assign (resid  18  and name c ) (resid  19  and name n )
  (resid  19   and name ca) (resid  19   and name c )   1.0 -120.0 50.0 2  ! 8.098
assign (resid  20  and name c ) (resid  21  and name n )
  (resid  21   and name ca) (resid  21   and name c )   1.0 -60.0 30.0 2  ! 2.530
assign (resid  21  and name c ) (resid  22  and name n )
  (resid  22   and name ca) (resid  22   and name c )   1.0 -60.0 30.0 2  ! 5.061
assign (resid  22  and name c ) (resid  23  and name n )
  (resid  23   and name ca) (resid  23   and name c )   1.0 -120.0 50.0 2  ! 8.374
assign (resid  24  and name c ) (resid  25  and name n )
  (resid  25   and name ca) (resid  25   and name c )   1.0 -120.0 40.0 2  ! 9.940
assign (resid  25  and name c ) (resid  26  and name n )
  (resid  26   and name ca) (resid  26   and name c )   1.0 -120.0 60.0 2  ! 7.093
assign (resid  26  and name c ) (resid  27  and name n )
  (resid  27   and name ca) (resid  27   and name c )   1.0 -120.0 50.0 2  ! 8.899
assign (resid  27  and name c ) (resid  28  and name n )
  (resid  28   and name ca) (resid  28   and name c )   1.0 -120.0 60.0 2  ! 7.484
assign (resid  28  and name c ) (resid  29  and name n )
  (resid  29   and name ca) (resid  29   and name c )   1.0 -120.0 40.0 2  ! 9.078
assign (resid  29  and name c ) (resid  30  and name n )
  (resid  30   and name ca) (resid  30   and name c )   1.0 -100.0 80.0 2  ! *T30 5.921
assign (resid  30  and name c ) (resid  31  and name n )
  (resid  31   and name ca) (resid  31   and name c )   1.0 -60.0 30.0 2  ! 3.534
assign (resid  31  and name c ) (resid  32  and name n )
  (resid  32   and name ca) (resid  32   and name c )   1.0 -60.0 30.0 2  ! 4.374
assign (resid  32  and name c ) (resid  33  and name n )
  (resid  33   and name ca) (resid  33   and name c )   1.0 -120.0 60.0 2  ! 7.430
assign (resid  34  and name c ) (resid  35  and name n )
  (resid  35   and name ca) (resid  35   and name c )   1.0 -60.0 30.0 2  ! 4.376
assign (resid  35  and name c ) (resid  36  and name n )
  (resid  36   and name ca) (resid  36   and name c )   1.0 -120.0 40.0 2  ! 9.442
assign (resid  36  and name c ) (resid  37  and name n )
  (resid  37   and name ca) (resid  37   and name c )   1.0 -100.0 80.0 2  !*R37 6.920
assign (resid  37  and name c ) (resid  38  and name n )
  (resid  38   and name ca) (resid  38   and name c )   1.0 -120.0 50.0 2  ! 8.773
assign (resid  38  and name c ) (resid  39  and name n )
  (resid  39   and name ca) (resid  39   and name c )   1.0 -120.0 40.0 2  ! 9.919
assign (resid  39  and name c ) (resid  40  and name n )
  (resid  40   and name ca) (resid  40   and name c )   1.0 -120.0 40.0 2  ! 10.079
assign (resid  40  and name c ) (resid  41  and name n )
  (resid  41   and name ca) (resid  41   and name c )   1.0 -120.0 40.0 2  ! 9.776
assign (resid  41  and name c ) (resid  42  and name n )
  (resid  42   and name ca) (resid  42   and name c )   1.0 -120.0 40.0 2  ! 10.234
assign (resid  42  and name c ) (resid  43  and name n )
  (resid  43   and name ca) (resid  43   and name c )   1.0 -120.0 50.0 2  ! 8.473
assign (resid  43  and name c ) (resid  44  and name n )
  (resid  44   and name ca) (resid  44   and name c )   1.0 -60.0 30.0 2  ! 3.636
assign (resid  44  and name c ) (resid  45  and name n )
  (resid  45   and name ca) (resid  45   and name c )   1.0 -120.0 40.0 2  ! 9.366
assign (resid  47  and name c ) (resid  48  and name n )
  (resid  48   and name ca) (resid  48   and name c )   1.0 -120.0 40.0 2  ! 9.088
assign (resid  48  and name c ) (resid  49  and name n )
  (resid  49   and name ca) (resid  49   and name c )   1.0 -120.0 40.0 2  ! 10.067
assign (resid  49  and name c ) (resid  50  and name n )
  (resid  50   and name ca) (resid  50   and name c )   1.0 -120.0 60.0 2  ! 7.563
assign (resid  50  and name c ) (resid  51  and name n )
  (resid  51   and name ca) (resid  51   and name c )   1.0 -120.0 40.0 2  ! 9.832
assign (resid  51  and name c ) (resid  52  and name n )
  (resid  52   and name ca) (resid  52   and name c )   1.0 -100.0 80.0 2  ! *H52 6.976
assign (resid  53  and name c ) (resid  54  and name n )
  (resid  54   and name ca) (resid  54   and name c )   1.0 -120.0 60.0 2  ! 7.722
assign (resid  55  and name c ) (resid  56  and name n )
  (resid  56   and name ca) (resid  56   and name c )   1.0 -60.0 30.0 2  ! 2.830
assign (resid  56  and name c ) (resid  57  and name n )
  (resid  57   and name ca) (resid  57   and name c )   1.0 -60.0 30.0 2  ! 4.067
assign (resid  58  and name c ) (resid  59  and name n )
  (resid  59   and name ca) (resid  59   and name c )   1.0 -60.0 30.0 2  ! 4.781
assign (resid  60  and name c ) (resid  61  and name n )
  (resid  61   and name ca) (resid  61   and name c )   1.0 -60.0 30.0 2  ! 4.447
assign (resid  61  and name c ) (resid  62  and name n )
  (resid  62   and name ca) (resid  62   and name c )   1.0 -60.0 30.0 2  ! 4.477
assign (resid  62  and name c ) (resid  63  and name n )
  (resid  63   and name ca) (resid  63   and name c )   1.0 -60.0 30.0 2  ! 4.784
assign (resid  66  and name c ) (resid  67  and name n )
  (resid  67   and name ca) (resid  67   and name c )   1.0 -120.0 60.0 2  ! 7.653
assign (resid  68  and name c ) (resid  69  and name n )
  (resid  69   and name ca) (resid  69   and name c )   1.0 -120.0 60.0 2  ! 7.104
assign (resid  69  and name c ) (resid  70  and name n )
  (resid  70   and name ca) (resid  70   and name c )   1.0 -120.0 60.0 2  ! 7.778
assign (resid  70  and name c ) (resid  71  and name n )
  (resid  71   and name ca) (resid  71   and name c )   1.0 -120.0 50.0 2  ! 8.292
assign (resid  26  and name n ) (resid  26  and name ca)
        (resid  26  and name cb) (resid  26  and name og) 1.0 60 60.0 2
 assign (resid  28  and name n ) (resid  28  and name ca)
        (resid  28  and name cb) (resid  28  and name cg) 1.0 60 60.0 2
 assign (resid  10  and name n ) (resid  10  and name ca)
        (resid  10  and name cb) (resid  10  and name sg) 1.0 -60 60.0 2
 assign (resid  14  and name n ) (resid  14  and name ca)
        (resid  14  and name cb) (resid  14  and name cg) 1.0 -120 120.0 2
 assign (resid  23  and name n ) (resid  23  and name ca)
        (resid  23  and name cb) (resid  23  and name cg) 1.0 -120 120.0 2
 assign (resid  29  and name n ) (resid  29  and name ca)
        (resid  29  and name cb) (resid  29  and name cg) 1.0 -120 120.0 2
 assign (resid  41  and name n ) (resid  41  and name ca)
        (resid  41  and name cb) (resid  41  and name cg) 1.0 -120 120.0 2
 assign (resid  48  and name n ) (resid  48  and name ca)
        (resid  48  and name cb) (resid  48  and name cg) 1.0 -120 120.0 2
 assign (resid  64  and name n ) (resid  64  and name ca)
        (resid  64  and name cb) (resid  64  and name cg) 1.0 -60 60.0 2
 assign (resid  61  and name n ) (resid  61  and name ca)
        (resid  61  and name cb) (resid  61  and name cg) 1.0 -60 60.0 2
 assign (resid  44  and name n ) (resid  44  and name ca)
        (resid  44  and name cb) (resid  44  and name cg) 1.0 -120 120.0 2
 assign (resid  45  and name n ) (resid  45  and name ca)
        (resid  45  and name cb) (resid  45  and name cg) 1.0 -120 120.0 2
 assign (resid  50  and name n ) (resid  50  and name ca)
        (resid  50  and name cb) (resid  50  and name sg) 1.0 -60 60.0 2
 assign (resid  1  and name n ) (resid  1  and name ca) 
        (resid  1  and name cb) (resid  1  and name og1) 1.0 -60 60.0 2
 assign (resid  22  and name n ) (resid  22  and name ca)
        (resid  22  and name cb) (resid  22  and name og1) 1.0 120 120.0 2
 assign (resid  58  and name n ) (resid  58  and name ca)
        (resid  58  and name cb) (resid  58  and name cg1) 1.0 120 120.0 2
 
 end
 


    



  Entry H atom name         Submitted Coord H atom name
    1   1H    THR   1          HT1       THR   1   4.428   6.420  10.474
    2   2H    THR   1          HT2       THR   1   5.587   5.752   9.426
    3   3H    THR   1          HT3       THR   1   4.216   6.530   8.794
    4    HA   THR   1           HA       THR   1   5.927   8.103   8.547
    5    HB   THR   1           HB       THR   1   4.538   8.676  11.180
    6    HG1  THR   1           HG1      THR   1   2.993   7.925   9.788
    7   1HG2  THR   1          HG21      THR   1   6.254  10.298  10.208
    8   2HG2  THR   1          HG22      THR   1   4.649  10.963  10.511
    9   3HG2  THR   1          HG23      THR   1   5.129  10.533   8.870
   10    H    ARG   2           HN       ARG   2   6.091   6.299  11.548
   11    HA   ARG   2           HA       ARG   2   8.868   7.355  11.976
   12   1HB   ARG   2          HB2       ARG   2   6.595   7.611  13.589
   13   2HB   ARG   2          HB1       ARG   2   7.515   6.307  14.340
   14   1HG   ARG   2          HG2       ARG   2   8.449   8.202  15.345
   15   2HG   ARG   2          HG1       ARG   2   9.560   7.911  14.007
   16   1HD   ARG   2          HD2       ARG   2   9.143  10.159  13.630
   17   2HD   ARG   2          HD1       ARG   2   7.761   9.488  12.740
   18    HE   ARG   2           HE       ARG   2   6.461   9.728  14.912
   19   1HH1  ARG   2          HH21      ARG   2   9.138  10.598  16.283
   20   2HH1  ARG   2          HH22      ARG   2   8.818  12.286  16.502
   21   1HH2  ARG   2          HH11      ARG   2   6.113  12.325  14.332
   22   2HH2  ARG   2          HH12      ARG   2   7.105  13.263  15.397
   23    H    GLY   3           HN       GLY   3   8.353   5.068  10.376
   24   1HA   GLY   3          HA2       GLY   3   9.302   2.881  12.186
   25   2HA   GLY   3          HA1       GLY   3   8.219   2.571  10.828
   26    H    SER   4           HN       SER   4   9.095   2.356   8.778
   27    HA   SER   4           HA       SER   4  12.067   2.723   8.552
   28   1HB   SER   4          HB2       SER   4  11.762   0.412   8.544
   29   2HB   SER   4          HB1       SER   4  10.170   0.525   7.800
   30    HG   SER   4           HG       SER   4  12.725   0.668   6.641
   31    H    ASP   5           HN       ASP   5  11.718   4.847   7.578
   32    HA   ASP   5           HA       ASP   5  10.002   5.312   5.323
   33   1HB   ASP   5          HB2       ASP   5  11.283   6.877   7.006
   34   2HB   ASP   5          HB1       ASP   5  12.585   6.773   5.820
   35    H    ILE   6           HN       ILE   6  13.044   3.683   5.603
   36    HA   ILE   6           HA       ILE   6  13.735   4.076   2.745
   37    HB   ILE   6           HB       ILE   6  15.058   2.436   4.931
   38   1HG1  ILE   6          HG12      ILE   6  15.770   5.236   4.015
   39   2HG1  ILE   6          HG11      ILE   6  14.777   4.913   5.437
   40   1HG2  ILE   6          HG21      ILE   6  15.527   2.405   2.228
   41   2HG2  ILE   6          HG22      ILE   6  16.739   2.032   3.453
   42   3HG2  ILE   6          HG23      ILE   6  16.649   3.653   2.767
   43   1HD1  ILE   6          HD11      ILE   6  16.785   3.278   6.040
   44   2HD1  ILE   6          HD12      ILE   6  16.866   4.997   6.429
   45   3HD1  ILE   6          HD13      ILE   6  17.687   4.377   4.996
   46    H    SER   7           HN       SER   7  11.260   2.661   3.282
   47    HA   SER   7           HA       SER   7  11.902  -0.195   2.820
   48   1HB   SER   7          HB2       SER   7  10.067   0.998   4.361
   49   2HB   SER   7          HB1       SER   7   9.127   0.911   2.874
   50    HG   SER   7           HG       SER   7   9.321  -1.279   2.885
   51    H    LYS   8           HN       LYS   8  12.615   1.597   0.685
   52    HA   LYS   8           HA       LYS   8  10.527   1.646  -1.339
   53   1HB   LYS   8          HB2       LYS   8  13.173   2.644  -0.880
   54   2HB   LYS   8          HB1       LYS   8  13.163   1.820  -2.439
   55   1HG   LYS   8          HG2       LYS   8  11.505   3.225  -3.320
   56   2HG   LYS   8          HG1       LYS   8  10.944   3.721  -1.722
   57   1HD   LYS   8          HD2       LYS   8  12.398   5.441  -1.662
   58   2HD   LYS   8          HD1       LYS   8  13.746   4.389  -2.098
   59   1HE   LYS   8          HE2       LYS   8  13.668   5.825  -3.952
   60   2HE   LYS   8          HE1       LYS   8  12.627   4.500  -4.509
   61   1HZ   LYS   8          HZ1       LYS   8  11.538   6.747  -2.927
   62   2HZ   LYS   8          HZ2       LYS   8  10.707   5.654  -3.929
   63   3HZ   LYS   8          HZ3       LYS   8  11.685   6.863  -4.613
   64    H    THR   9           HN       THR   9  10.257  -0.878  -0.722
   65    HA   THR   9           HA       THR   9  12.079  -2.539  -2.406
   66    HB   THR   9           HB       THR   9  11.705  -3.168  -0.052
   67    HG1  THR   9           HG1      THR   9  11.975  -4.962  -1.191
   68   1HG2  THR   9          HG21      THR   9   9.592  -2.276   0.483
   69   2HG2  THR   9          HG22      THR   9   9.310  -4.017   0.458
   70   3HG2  THR   9          HG23      THR   9   8.823  -3.025  -0.916
   71    H    CYS  10           HN       CYS  10  11.190  -3.899  -4.050
   72    HA   CYS  10           HA       CYS  10   8.779  -2.878  -5.350
   73   1HB   CYS  10          HB2       CYS  10  10.571  -5.262  -5.927
   74   2HB   CYS  10          HB1       CYS  10   9.427  -4.536  -7.053
   75    H    CYS  11           HN       CYS  11   7.315  -4.850  -6.272
   76    HA   CYS  11           HA       CYS  11   6.636  -6.653  -3.974
   77   1HB   CYS  11          HB2       CYS  11   4.966  -4.728  -5.575
   78   2HB   CYS  11          HB1       CYS  11   4.210  -6.146  -4.849
   79    H    PHE  12           HN       PHE  12   4.780  -8.241  -4.960
   80    HA   PHE  12           HA       PHE  12   5.244  -8.976  -7.765
   81   1HB   PHE  12          HB2       PHE  12   6.828 -10.021  -5.606
   82   2HB   PHE  12          HB1       PHE  12   5.846 -11.327  -6.272
   83    HD1  PHE  12           HD1      PHE  12   5.601 -10.813  -9.066
   84    HD2  PHE  12           HD2      PHE  12   8.975 -10.081  -6.511
   85    HE1  PHE  12           HE1      PHE  12   7.115 -10.951 -11.026
   86    HE2  PHE  12           HE2      PHE  12  10.489 -10.219  -8.471
   87    HZ   PHE  12           HZ       PHE  12   9.559 -10.654 -10.728
   88    H    GLN  13           HN       GLN  13   4.260 -10.666  -4.758
   89    HA   GLN  13           HA       GLN  13   1.939 -11.860  -6.059
   90   1HB   GLN  13          HB2       GLN  13   3.262 -11.819  -3.380
   91   2HB   GLN  13          HB1       GLN  13   1.578 -12.341  -3.446
   92   1HG   GLN  13          HG2       GLN  13   2.231 -13.947  -5.278
   93   2HG   GLN  13          HG1       GLN  13   3.915 -13.522  -4.969
   94   1HE2  GLN  13          HE21      GLN  13   4.062 -15.927  -4.364
   95   2HE2  GLN  13          HE22      GLN  13   3.646 -16.369  -2.779
   96    H    TYR  14           HN       TYR  14  -0.247 -11.254  -5.752
   97    HA   TYR  14           HA       TYR  14  -0.713  -8.700  -4.270
   98   1HB   TYR  14          HB2       TYR  14  -1.894  -9.613  -6.912
   99   2HB   TYR  14          HB1       TYR  14  -2.214  -8.071  -6.118
  100    HD1  TYR  14           HD1      TYR  14   0.315  -7.117  -5.185
  101    HD2  TYR  14           HD2      TYR  14  -0.558  -9.270  -8.798
  102    HE1  TYR  14           HE1      TYR  14   2.333  -6.147  -6.251
  103    HE2  TYR  14           HE2      TYR  14   1.460  -8.300  -9.864
  104    HH   TYR  14           HH       TYR  14   3.827  -6.531  -8.045
  105    H    SER  15           HN       SER  15  -2.132  -9.095  -2.622
  106    HA   SER  15           HA       SER  15  -3.776 -11.507  -2.553
  107   1HB   SER  15          HB2       SER  15  -2.793  -9.438  -0.797
  108   2HB   SER  15          HB1       SER  15  -4.524  -9.648  -0.548
  109    HG   SER  15           HG       SER  15  -4.160 -11.557   0.267
  110    H    HIS  16           HN       HIS  16  -6.002 -11.630  -2.902
  111    HA   HIS  16           HA       HIS  16  -7.332  -9.135  -3.905
  112   1HB   HIS  16          HB2       HIS  16  -6.813 -11.392  -5.267
  113   2HB   HIS  16          HB1       HIS  16  -8.340 -11.876  -4.528
  114    HD1  HIS  16           HD1      HIS  16 -10.476 -10.768  -5.379
  115    HD2  HIS  16           HD2      HIS  16  -7.029  -9.095  -7.020
  116    HE1  HIS  16           HE1      HIS  16 -11.243  -9.221  -7.231
  117    H    LYS  17           HN       LYS  17  -7.789  -8.810  -1.481
  118    HA   LYS  17           HA       LYS  17 -10.487  -9.722  -0.881
  119   1HB   LYS  17          HB2       LYS  17  -8.092 -11.124   0.131
  120   2HB   LYS  17          HB1       LYS  17  -9.273 -10.714   1.375
  121   1HG   LYS  17          HG2       LYS  17 -10.682 -11.699  -0.917
  122   2HG   LYS  17          HG1       LYS  17  -9.398 -12.840  -0.517
  123   1HD   LYS  17          HD2       LYS  17 -10.198 -13.121   1.708
  124   2HD   LYS  17          HD1       LYS  17 -11.255 -11.715   1.585
  125   1HE   LYS  17          HE2       LYS  17 -12.030 -13.399  -0.540
  126   2HE   LYS  17          HE1       LYS  17 -11.823 -14.464   0.865
  127   1HZ   LYS  17          HZ1       LYS  17 -14.010 -13.513   0.949
  128   2HZ   LYS  17          HZ2       LYS  17 -13.391 -11.942   0.762
  129   3HZ   LYS  17          HZ3       LYS  17 -13.080 -12.818   2.185
  130    HA   PRO  18           HA       PRO  18 -10.158  -5.992   1.458
  131   1HB   PRO  18          HB2       PRO  18 -12.375  -6.242   3.040
  132   2HB   PRO  18          HB1       PRO  18 -12.461  -5.839   1.313
  133   1HG   PRO  18          HG2       PRO  18 -12.930  -8.438   2.675
  134   2HG   PRO  18          HG1       PRO  18 -13.761  -7.724   1.285
  135   1HD   PRO  18          HD2       PRO  18 -11.866  -9.691   1.090
  136   2HD   PRO  18          HD1       PRO  18 -12.229  -8.530  -0.205
  137    H    LEU  19           HN       LEU  19  -8.469  -6.003   2.925
  138    HA   LEU  19           HA       LEU  19  -8.146  -7.963   5.023
  139   1HB   LEU  19          HB2       LEU  19  -6.622  -6.080   3.729
  140   2HB   LEU  19          HB1       LEU  19  -6.867  -5.312   5.298
  141    HG   LEU  19           HG       LEU  19  -6.235  -8.161   5.527
  142   1HD1  LEU  19          HD11      LEU  19  -4.769  -8.045   3.725
  143   2HD1  LEU  19          HD12      LEU  19  -3.720  -7.502   5.036
  144   3HD1  LEU  19          HD13      LEU  19  -4.462  -6.323   3.954
  145   1HD2  LEU  19          HD21      LEU  19  -4.994  -7.411   7.360
  146   2HD2  LEU  19          HD22      LEU  19  -6.215  -6.145   7.228
  147   3HD2  LEU  19          HD23      LEU  19  -4.594  -5.876   6.587
  148    HA   PRO  20           HA       PRO  20 -10.800  -6.199   8.080
  149   1HB   PRO  20          HB2       PRO  20  -9.521  -7.033  10.358
  150   2HB   PRO  20          HB1       PRO  20 -10.484  -8.118   9.335
  151   1HG   PRO  20          HG2       PRO  20  -7.527  -7.746   9.438
  152   2HG   PRO  20          HG1       PRO  20  -8.471  -9.238   9.289
  153   1HD   PRO  20          HD2       PRO  20  -7.266  -8.064   7.173
  154   2HD   PRO  20          HD1       PRO  20  -8.787  -8.972   7.025
  155    H    TRP  21           HN       TRP  21 -10.652  -3.972   8.164
  156    HA   TRP  21           HA       TRP  21  -8.425  -2.324   8.371
  157   1HB   TRP  21          HB2       TRP  21 -11.232  -2.062   9.478
  158   2HB   TRP  21          HB1       TRP  21 -10.095  -0.714   9.414
  159    HD1  TRP  21           HD1      TRP  21 -12.393  -2.788   7.278
  160    HE1  TRP  21           HE1      TRP  21 -12.372  -1.890   4.861
  161    HE3  TRP  21           HE3      TRP  21  -8.491   0.492   7.588
  162    HZ2  TRP  21           HZ2      TRP  21 -10.893  -0.029   3.270
  163    HZ3  TRP  21           HZ3      TRP  21  -7.798   1.812   5.610
  164    HH2  TRP  21           HH2      TRP  21  -8.994   1.557   3.452
  165    H    THR  22           HN       THR  22  -9.934  -4.186  10.941
  166    HA   THR  22           HA       THR  22  -8.954  -2.850  13.236
  167    HB   THR  22           HB       THR  22  -8.945  -5.325  14.091
  168    HG1  THR  22           HG1      THR  22  -9.251  -6.764  12.617
  169   1HG2  THR  22          HG21      THR  22 -11.514  -4.394  12.812
  170   2HG2  THR  22          HG22      THR  22 -10.817  -3.555  14.198
  171   3HG2  THR  22          HG23      THR  22 -11.298  -5.246  14.342
  172    H    TRP  23           HN       TRP  23  -7.342  -5.063  10.994
  173    HA   TRP  23           HA       TRP  23  -4.818  -4.823  12.561
  174   1HB   TRP  23          HB2       TRP  23  -6.031  -6.788  10.650
  175   2HB   TRP  23          HB1       TRP  23  -4.276  -6.722  10.782
  176    HD1  TRP  23           HD1      TRP  23  -5.688  -5.812  14.044
  177    HE1  TRP  23           HE1      TRP  23  -5.640  -7.816  15.664
  178    HE3  TRP  23           HE3      TRP  23  -4.714  -9.590  10.747
  179    HZ2  TRP  23           HZ2      TRP  23  -5.242 -10.645  15.575
  180    HZ3  TRP  23           HZ3      TRP  23  -4.507 -11.927  11.542
  181    HH2  TRP  23           HH2      TRP  23  -4.770 -12.460  13.949
  182    H    VAL  24           HN       VAL  24  -6.270  -3.141  10.153
  183    HA   VAL  24           HA       VAL  24  -3.938  -3.016   8.336
  184    HB   VAL  24           HB       VAL  24  -6.611  -1.585   8.304
  185   1HG1  VAL  24          HG11      VAL  24  -4.330  -0.951   6.918
  186   2HG1  VAL  24          HG12      VAL  24  -5.964  -0.629   6.338
  187   3HG1  VAL  24          HG13      VAL  24  -5.110  -2.078   5.808
  188   1HG2  VAL  24          HG21      VAL  24  -7.461  -3.331   7.012
  189   2HG2  VAL  24          HG22      VAL  24  -6.423  -4.222   8.125
  190   3HG2  VAL  24          HG23      VAL  24  -5.861  -3.860   6.494
  191    H    ARG  25           HN       ARG  25  -2.687  -1.099   8.091
  192    HA   ARG  25           HA       ARG  25  -3.128   0.992  10.200
  193   1HB   ARG  25          HB2       ARG  25  -1.235  -0.482  10.695
  194   2HB   ARG  25          HB1       ARG  25  -0.567  -0.197   9.087
  195   1HG   ARG  25          HG2       ARG  25   0.348   1.772   9.710
  196   2HG   ARG  25          HG1       ARG  25  -1.137   2.293  10.506
  197   1HD   ARG  25          HD2       ARG  25  -0.563   0.884  12.475
  198   2HD   ARG  25          HD1       ARG  25   0.961   0.434  11.683
  199    HE   ARG  25           HE       ARG  25   1.767   2.643  12.054
  200   1HH1  ARG  25          HH11      ARG  25  -0.679   2.154  14.143
  201   2HH1  ARG  25          HH12      ARG  25  -1.237   3.791  14.227
  202   1HH2  ARG  25          HH21      ARG  25   0.654   4.854  11.522
  203   2HH2  ARG  25          HH22      ARG  25  -0.483   5.320  12.743
  204    H    SER  26           HN       SER  26  -1.183   0.530   7.213
  205    HA   SER  26           HA       SER  26  -2.418   2.955   6.036
  206   1HB   SER  26          HB2       SER  26  -0.420   4.219   6.037
  207   2HB   SER  26          HB1       SER  26  -0.435   3.479   7.635
  208    HG   SER  26           HG       SER  26   0.897   1.813   6.745
  209    H    TYR  27           HN       TYR  27  -0.256   3.277   4.123
  210    HA   TYR  27           HA       TYR  27   0.060   0.666   2.787
  211   1HB   TYR  27          HB2       TYR  27  -1.446   1.076   1.042
  212   2HB   TYR  27          HB1       TYR  27  -2.284   1.840   2.386
  213    HD1  TYR  27           HD1      TYR  27  -0.992   2.303  -0.893
  214    HD2  TYR  27           HD2      TYR  27  -1.759   4.381   2.785
  215    HE1  TYR  27           HE1      TYR  27  -0.923   4.463  -2.102
  216    HE2  TYR  27           HE2      TYR  27  -1.693   6.544   1.576
  217    HH   TYR  27           HH       TYR  27  -1.767   6.748  -1.829
  218    H    GLU  28           HN       GLU  28   0.927   1.390   0.343
  219    HA   GLU  28           HA       GLU  28   2.477   3.803   0.163
  220   1HB   GLU  28          HB2       GLU  28   4.706   2.808   0.613
  221   2HB   GLU  28          HB1       GLU  28   3.673   2.707   2.038
  222   1HG   GLU  28          HG2       GLU  28   3.030   0.372   1.269
  223   2HG   GLU  28          HG1       GLU  28   4.320   0.500   0.073
  224    H    PHE  29           HN       PHE  29   3.160   4.017  -1.967
  225    HA   PHE  29           HA       PHE  29   2.550   1.820  -3.830
  226   1HB   PHE  29          HB2       PHE  29   2.420   4.570  -3.870
  227   2HB   PHE  29          HB1       PHE  29   3.885   4.264  -4.804
  228    HD1  PHE  29           HD1      PHE  29   3.649   2.196  -6.512
  229    HD2  PHE  29           HD2      PHE  29   0.401   4.586  -5.032
  230    HE1  PHE  29           HE1      PHE  29   2.273   1.536  -8.466
  231    HE2  PHE  29           HE2      PHE  29  -0.975   3.925  -6.987
  232    HZ   PHE  29           HZ       PHE  29  -0.039   2.400  -8.703
  233    H    THR  30           HN       THR  30   4.128   0.779  -5.149
  234    HA   THR  30           HA       THR  30   6.716   0.332  -3.987
  235    HB   THR  30           HB       THR  30   7.002  -0.671  -6.423
  236    HG1  THR  30           HG1      THR  30   5.226   0.544  -7.233
  237   1HG2  THR  30          HG21      THR  30   6.494  -1.866  -4.233
  238   2HG2  THR  30          HG22      THR  30   5.882  -2.653  -5.688
  239   3HG2  THR  30          HG23      THR  30   4.788  -1.731  -4.657
  240    H    SER  31           HN       SER  31   8.724   0.574  -5.594
  241    HA   SER  31           HA       SER  31   9.058   3.452  -6.052
  242   1HB   SER  31          HB2       SER  31  10.724   1.810  -5.031
  243   2HB   SER  31          HB1       SER  31  10.947   1.162  -6.653
  244    HG   SER  31           HG       SER  31  12.327   3.026  -5.767
  245    H    ASN  32           HN       ASN  32  10.249   4.052  -8.197
  246    HA   ASN  32           HA       ASN  32   8.554   3.163 -10.436
  247   1HB   ASN  32          HB2       ASN  32  10.506   5.326  -9.795
  248   2HB   ASN  32          HB1       ASN  32  10.299   4.920 -11.499
  249   1HD2  ASN  32          HD21      ASN  32   9.076   6.922  -9.112
  250   2HD2  ASN  32          HD22      ASN  32   7.525   7.185  -9.749
  251    H    SER  33           HN       SER  33  11.816   2.645  -9.249
  252    HA   SER  33           HA       SER  33  12.968   1.658 -11.709
  253   1HB   SER  33          HB2       SER  33  14.209   2.494  -9.716
  254   2HB   SER  33          HB1       SER  33  13.646   1.098  -8.802
  255    HG   SER  33           HG       SER  33  15.534   0.409  -9.578
  256    H    CYS  34           HN       CYS  34  10.933   0.242  -9.234
  257    HA   CYS  34           HA       CYS  34  11.488  -2.514  -9.539
  258   1HB   CYS  34          HB2       CYS  34   8.903  -1.002  -9.047
  259   2HB   CYS  34          HB1       CYS  34   9.093  -2.737  -8.793
  260    H    SER  35           HN       SER  35  10.651  -4.101 -10.977
  261    HA   SER  35           HA       SER  35   9.953  -3.130 -13.657
  262   1HB   SER  35          HB2       SER  35  10.350  -5.849 -12.383
  263   2HB   SER  35          HB1       SER  35  10.001  -5.630 -14.096
  264    HG   SER  35           HG       SER  35  12.321  -5.271 -12.720
  265    H    GLN  36           HN       GLN  36   8.161  -3.889 -10.860
  266    HA   GLN  36           HA       GLN  36   5.686  -4.172 -12.513
  267   1HB   GLN  36          HB2       GLN  36   6.884  -6.284 -11.330
  268   2HB   GLN  36          HB1       GLN  36   5.913  -5.711  -9.973
  269   1HG   GLN  36          HG2       GLN  36   3.903  -5.728 -11.457
  270   2HG   GLN  36          HG1       GLN  36   4.895  -6.427 -12.738
  271   1HE2  GLN  36          HE21      GLN  36   2.641  -7.830 -11.609
  272   2HE2  GLN  36          HE22      GLN  36   3.231  -9.195 -10.790
  273    H    ARG  37           HN       ARG  37   5.162  -1.961 -11.966
  274    HA   ARG  37           HA       ARG  37   5.234  -0.815  -9.366
  275   1HB   ARG  37          HB2       ARG  37   3.335  -0.363 -11.694
  276   2HB   ARG  37          HB1       ARG  37   3.599   0.766 -10.365
  277   1HG   ARG  37          HG2       ARG  37   5.548   1.514 -11.242
  278   2HG   ARG  37          HG1       ARG  37   6.091  -0.117 -11.637
  279   1HD   ARG  37          HD2       ARG  37   5.319   0.020 -13.785
  280   2HD   ARG  37          HD1       ARG  37   3.845   0.879 -13.296
  281    HE   ARG  37           HE       ARG  37   6.490   2.276 -13.288
  282   1HH1  ARG  37          HH21      ARG  37   5.181   2.309 -15.950
  283   2HH1  ARG  37          HH22      ARG  37   4.207   3.739 -15.876
  284   1HH2  ARG  37          HH11      ARG  37   4.368   3.990 -12.422
  285   2HH2  ARG  37          HH12      ARG  37   3.747   4.691 -13.879
  286    H    ALA  38           HN       ALA  38   3.976  -1.201  -7.578
  287    HA   ALA  38           HA       ALA  38   1.215  -2.196  -7.881
  288   1HB   ALA  38          HB1       ALA  38   1.684  -4.207  -6.551
  289   2HB   ALA  38          HB2       ALA  38   3.375  -3.730  -6.401
  290   3HB   ALA  38          HB3       ALA  38   2.722  -4.180  -7.976
  291    H    VAL  39           HN       VAL  39  -0.031  -1.835  -5.960
  292    HA   VAL  39           HA       VAL  39   1.110   0.159  -4.114
  293    HB   VAL  39           HB       VAL  39  -1.618  -1.150  -4.376
  294   1HG1  VAL  39          HG11      VAL  39  -0.726   1.275  -2.784
  295   2HG1  VAL  39          HG12      VAL  39  -1.233  -0.273  -2.108
  296   3HG1  VAL  39          HG13      VAL  39  -2.395   0.735  -2.971
  297   1HG2  VAL  39          HG21      VAL  39  -0.449   0.517  -6.159
  298   2HG2  VAL  39          HG22      VAL  39  -1.131   1.705  -5.048
  299   3HG2  VAL  39          HG23      VAL  39  -2.183   0.528  -5.834
  300    H    ILE  40           HN       ILE  40   0.869  -0.159  -1.729
  301    HA   ILE  40           HA       ILE  40   0.895  -3.033  -0.902
  302    HB   ILE  40           HB       ILE  40   2.885  -0.815  -0.360
  303   1HG1  ILE  40          HG12      ILE  40   3.562  -3.610  -1.196
  304   2HG1  ILE  40          HG11      ILE  40   2.895  -2.511  -2.403
  305   1HG2  ILE  40          HG21      ILE  40   2.444  -3.427   1.082
  306   2HG2  ILE  40          HG22      ILE  40   2.648  -1.817   1.771
  307   3HG2  ILE  40          HG23      ILE  40   4.025  -2.648   1.048
  308   1HD1  ILE  40          HD11      ILE  40   4.719  -0.866  -1.312
  309   2HD1  ILE  40          HD12      ILE  40   5.111  -1.954  -2.643
  310   3HD1  ILE  40          HD13      ILE  40   5.512  -2.407  -0.987
  311    H    PHE  41           HN       PHE  41  -0.181  -3.386   1.034
  312    HA   PHE  41           HA       PHE  41  -1.258  -0.985   2.474
  313   1HB   PHE  41          HB2       PHE  41  -2.288  -3.801   2.000
  314   2HB   PHE  41          HB1       PHE  41  -3.032  -2.703   3.160
  315    HD1  PHE  41           HD1      PHE  41  -2.890  -0.104   1.833
  316    HD2  PHE  41           HD2      PHE  41  -3.751  -3.976   0.185
  317    HE1  PHE  41           HE1      PHE  41  -4.180   0.961   0.001
  318    HE2  PHE  41           HE2      PHE  41  -5.038  -2.912  -1.646
  319    HZ   PHE  41           HZ       PHE  41  -5.255  -0.447  -1.736
  320    H    THR  42           HN       THR  42  -0.413  -0.768   4.540
  321    HA   THR  42           HA       THR  42   1.104  -3.052   5.656
  322    HB   THR  42           HB       THR  42   1.049  -0.506   7.112
  323    HG1  THR  42           HG1      THR  42   2.212  -0.518   4.545
  324   1HG2  THR  42          HG21      THR  42   2.806  -2.674   6.520
  325   2HG2  THR  42          HG22      THR  42   3.041  -1.361   7.673
  326   3HG2  THR  42          HG23      THR  42   3.577  -1.175   6.005
  327    H    THR  43           HN       THR  43   0.589  -4.024   7.612
  328    HA   THR  43           HA       THR  43  -2.127  -3.442   8.686
  329    HB   THR  43           HB       THR  43  -1.644  -5.741   9.764
  330    HG1  THR  43           HG1      THR  43   0.157  -6.709   9.214
  331   1HG2  THR  43          HG21      THR  43  -2.358  -4.980   7.070
  332   2HG2  THR  43          HG22      THR  43  -2.982  -6.308   8.049
  333   3HG2  THR  43          HG23      THR  43  -1.537  -6.540   7.064
  334    H    LYS  44           HN       LYS  44  -2.109  -4.223  11.198
  335    HA   LYS  44           HA       LYS  44  -0.505  -2.223  12.602
  336   1HB   LYS  44          HB2       LYS  44  -2.537  -4.329  13.362
  337   2HB   LYS  44          HB1       LYS  44  -1.770  -3.290  14.563
  338   1HG   LYS  44          HG2       LYS  44  -2.571  -1.527  12.553
  339   2HG   LYS  44          HG1       LYS  44  -3.911  -2.666  12.687
  340   1HD   LYS  44          HD2       LYS  44  -3.816  -2.320  15.199
  341   2HD   LYS  44          HD1       LYS  44  -2.690  -0.996  14.896
  342   1HE   LYS  44          HE2       LYS  44  -4.337   0.237  13.646
  343   2HE   LYS  44          HE1       LYS  44  -5.438  -1.155  13.616
  344   1HZ   LYS  44          HZ1       LYS  44  -4.440   0.080  16.123
  345   2HZ   LYS  44          HZ2       LYS  44  -5.676  -1.073  15.958
  346   3HZ   LYS  44          HZ3       LYS  44  -5.913   0.515  15.404
  347    H    ARG  45           HN       ARG  45  -0.128  -5.569  11.811
  348    HA   ARG  45           HA       ARG  45   1.567  -6.268  14.089
  349   1HB   ARG  45          HB2       ARG  45   0.088  -7.776  12.644
  350   2HB   ARG  45          HB1       ARG  45   1.327  -7.630  11.396
  351   1HG   ARG  45          HG2       ARG  45   2.739  -9.033  12.477
  352   2HG   ARG  45          HG1       ARG  45   2.415  -8.289  14.043
  353   1HD   ARG  45          HD2       ARG  45   0.030  -9.640  13.256
  354   2HD   ARG  45          HD1       ARG  45   1.383 -10.766  13.029
  355    HE   ARG  45           HE       ARG  45   0.820  -9.323  15.592
  356   1HH1  ARG  45          HH21      ARG  45   0.904 -12.358  14.296
  357   2HH1  ARG  45          HH22      ARG  45   2.042 -13.027  15.418
  358   1HH2  ARG  45          HH11      ARG  45   2.867  -9.962  16.815
  359   2HH2  ARG  45          HH12      ARG  45   3.154 -11.670  16.844
  360    H    GLY  46           HN       GLY  46   2.050  -4.520  11.175
  361   1HA   GLY  46          HA2       GLY  46   4.123  -3.381  10.693
  362   2HA   GLY  46          HA1       GLY  46   4.982  -4.610  11.620
  363    H    LYS  47           HN       LYS  47   2.635  -5.958   9.545
  364    HA   LYS  47           HA       LYS  47   4.789  -6.859   7.707
  365   1HB   LYS  47          HB2       LYS  47   3.135  -8.328   9.120
  366   2HB   LYS  47          HB1       LYS  47   1.983  -7.935   7.844
  367   1HG   LYS  47          HG2       LYS  47   3.720  -8.729   6.175
  368   2HG   LYS  47          HG1       LYS  47   4.647  -9.340   7.546
  369   1HD   LYS  47          HD2       LYS  47   2.894 -10.850   8.173
  370   2HD   LYS  47          HD1       LYS  47   1.758 -10.094   7.055
  371   1HE   LYS  47          HE2       LYS  47   2.407 -11.913   5.761
  372   2HE   LYS  47          HE1       LYS  47   3.674 -10.764   5.286
  373   1HZ   LYS  47          HZ1       LYS  47   4.471 -12.996   6.123
  374   2HZ   LYS  47          HZ2       LYS  47   3.928 -12.519   7.660
  375   3HZ   LYS  47          HZ3       LYS  47   5.149 -11.636   6.875
  376    H    LYS  48           HN       LYS  48   4.912  -5.518   5.924
  377    HA   LYS  48           HA       LYS  48   2.571  -4.075   4.914
  378   1HB   LYS  48          HB2       LYS  48   5.250  -4.426   3.553
  379   2HB   LYS  48          HB1       LYS  48   4.154  -3.051   3.455
  380   1HG   LYS  48          HG2       LYS  48   4.646  -3.132   6.144
  381   2HG   LYS  48          HG1       LYS  48   6.186  -3.698   5.501
  382   1HD   LYS  48          HD2       LYS  48   4.912  -1.314   4.219
  383   2HD   LYS  48          HD1       LYS  48   5.703  -1.100   5.781
  384   1HE   LYS  48          HE2       LYS  48   7.103  -2.545   3.526
  385   2HE   LYS  48          HE1       LYS  48   7.174  -0.778   3.675
  386   1HZ   LYS  48          HZ1       LYS  48   7.676  -2.536   5.997
  387   2HZ   LYS  48          HZ2       LYS  48   8.120  -0.910   5.783
  388   3HZ   LYS  48          HZ3       LYS  48   8.928  -2.134   4.926
  389    H    VAL  49           HN       VAL  49   1.172  -4.859   3.379
  390    HA   VAL  49           HA       VAL  49   1.936  -7.372   1.942
  391    HB   VAL  49           HB       VAL  49  -0.749  -6.070   2.504
  392   1HG1  VAL  49          HG11      VAL  49   0.099  -8.295   0.799
  393   2HG1  VAL  49          HG12      VAL  49  -1.449  -7.451   0.854
  394   3HG1  VAL  49          HG13      VAL  49  -1.123  -8.770   1.979
  395   1HG2  VAL  49          HG21      VAL  49   1.009  -7.604   4.159
  396   2HG2  VAL  49          HG22      VAL  49  -0.386  -8.611   3.769
  397   3HG2  VAL  49          HG23      VAL  49  -0.619  -7.039   4.533
  398    H    CYS  50           HN       CYS  50   2.039  -7.353  -0.298
  399    HA   CYS  50           HA       CYS  50   1.832  -4.762  -1.679
  400   1HB   CYS  50          HB2       CYS  50   2.611  -7.585  -2.465
  401   2HB   CYS  50          HB1       CYS  50   2.658  -6.226  -3.585
  402    H    THR  51           HN       THR  51   0.484  -4.491  -3.608
  403    HA   THR  51           HA       THR  51  -1.659  -6.444  -4.139
  404    HB   THR  51           HB       THR  51  -3.332  -4.485  -3.653
  405    HG1  THR  51           HG1      THR  51  -2.299  -2.797  -2.976
  406   1HG2  THR  51          HG21      THR  51  -3.849  -5.574  -1.712
  407   2HG2  THR  51          HG22      THR  51  -2.199  -5.478  -1.098
  408   3HG2  THR  51          HG23      THR  51  -2.628  -6.710  -2.285
  409    H    HIS  52           HN       HIS  52  -3.206  -5.395  -5.862
  410    HA   HIS  52           HA       HIS  52  -1.488  -4.003  -7.841
  411   1HB   HIS  52          HB2       HIS  52  -3.641  -5.979  -7.817
  412   2HB   HIS  52          HB1       HIS  52  -3.913  -4.715  -9.016
  413    HD1  HIS  52           HD1      HIS  52  -3.175  -7.608  -9.886
  414    HD2  HIS  52           HD2      HIS  52  -0.397  -4.540  -9.384
  415    HE1  HIS  52           HE1      HIS  52  -1.154  -8.237 -11.277
  416    HA   PRO  53           HA       PRO  53  -3.817  -0.287  -7.052
  417   1HB   PRO  53          HB2       PRO  53  -2.912   1.181  -9.175
  418   2HB   PRO  53          HB1       PRO  53  -1.938   0.890  -7.721
  419   1HG   PRO  53          HG2       PRO  53  -1.804  -0.425 -10.382
  420   2HG   PRO  53          HG1       PRO  53  -0.498   0.015  -9.271
  421   1HD   PRO  53          HD2       PRO  53  -1.476  -2.527  -9.552
  422   2HD   PRO  53          HD1       PRO  53  -0.689  -1.921  -8.079
  423    H    ARG  54           HN       ARG  54  -3.905  -2.120 -10.022
  424    HA   ARG  54           HA       ARG  54  -5.942  -0.675 -11.428
  425   1HB   ARG  54          HB2       ARG  54  -4.318  -2.570 -12.139
  426   2HB   ARG  54          HB1       ARG  54  -5.536  -3.666 -11.484
  427   1HG   ARG  54          HG2       ARG  54  -7.222  -2.376 -12.947
  428   2HG   ARG  54          HG1       ARG  54  -5.810  -1.723 -13.778
  429   1HD   ARG  54          HD2       ARG  54  -5.038  -4.161 -14.065
  430   2HD   ARG  54          HD1       ARG  54  -6.689  -4.613 -13.595
  431    HE   ARG  54           HE       ARG  54  -6.929  -2.580 -15.540
  432   1HH1  ARG  54          HH11      ARG  54  -7.673  -5.685 -15.409
  433   2HH1  ARG  54          HH12      ARG  54  -7.108  -6.151 -16.979
  434   1HH2  ARG  54          HH21      ARG  54  -5.341  -3.214 -17.507
  435   2HH2  ARG  54          HH22      ARG  54  -5.788  -4.752 -18.166
  436    H    LYS  55           HN       LYS  55  -6.178  -3.555  -9.298
  437    HA   LYS  55           HA       LYS  55  -8.939  -3.992  -9.369
  438   1HB   LYS  55          HB2       LYS  55  -6.670  -4.478  -7.570
  439   2HB   LYS  55          HB1       LYS  55  -8.221  -4.424  -6.729
  440   1HG   LYS  55          HG2       LYS  55  -8.142  -6.663  -7.366
  441   2HG   LYS  55          HG1       LYS  55  -9.015  -5.956  -8.726
  442   1HD   LYS  55          HD2       LYS  55  -6.023  -6.036  -8.836
  443   2HD   LYS  55          HD1       LYS  55  -6.916  -7.527  -9.139
  444   1HE   LYS  55          HE2       LYS  55  -7.741  -4.996 -10.553
  445   2HE   LYS  55          HE1       LYS  55  -6.385  -5.957 -11.172
  446   1HZ   LYS  55          HZ1       LYS  55  -8.366  -6.823 -12.138
  447   2HZ   LYS  55          HZ2       LYS  55  -9.151  -6.892 -10.632
  448   3HZ   LYS  55          HZ3       LYS  55  -7.855  -7.938 -10.967
  449    H    LYS  56           HN       LYS  56 -10.637  -2.682  -8.880
  450    HA   LYS  56           HA       LYS  56 -10.436  -0.050  -7.854
  451   1HB   LYS  56          HB2       LYS  56 -12.616  -2.108  -8.139
  452   2HB   LYS  56          HB1       LYS  56 -12.968  -0.541  -7.408
  453   1HG   LYS  56          HG2       LYS  56 -11.410  -0.090  -9.764
  454   2HG   LYS  56          HG1       LYS  56 -12.740  -1.171 -10.183
  455   1HD   LYS  56          HD2       LYS  56 -14.359   0.382  -9.228
  456   2HD   LYS  56          HD1       LYS  56 -13.060   1.438  -8.672
  457   1HE   LYS  56          HE2       LYS  56 -12.403   1.298 -11.291
  458   2HE   LYS  56          HE1       LYS  56 -14.162   1.092 -11.414
  459   1HZ   LYS  56          HZ1       LYS  56 -13.459   3.454 -11.347
  460   2HZ   LYS  56          HZ2       LYS  56 -12.834   3.195  -9.789
  461   3HZ   LYS  56          HZ3       LYS  56 -14.500   3.030 -10.078
  462    H    TRP  57           HN       TRP  57 -11.169  -3.108  -6.145
  463    HA   TRP  57           HA       TRP  57 -11.858  -2.057  -3.628
  464   1HB   TRP  57          HB2       TRP  57 -11.739  -4.272  -3.013
  465   2HB   TRP  57          HB1       TRP  57 -11.574  -4.509  -4.747
  466    HD1  TRP  57           HD1      TRP  57  -9.408  -5.619  -5.584
  467    HE1  TRP  57           HE1      TRP  57  -7.207  -6.372  -4.471
  468    HE3  TRP  57           HE3      TRP  57 -10.022  -3.573  -0.947
  469    HZ2  TRP  57           HZ2      TRP  57  -5.883  -6.130  -1.945
  470    HZ3  TRP  57           HZ3      TRP  57  -8.278  -3.851   0.792
  471    HH2  TRP  57           HH2      TRP  57  -6.211  -5.127   0.300
  472    H    VAL  58           HN       VAL  58  -8.632  -2.542  -5.040
  473    HA   VAL  58           HA       VAL  58  -7.123  -1.897  -2.666
  474    HB   VAL  58           HB       VAL  58  -6.484  -1.657  -5.622
  475   1HG1  VAL  58          HG11      VAL  58  -4.280  -1.313  -5.073
  476   2HG1  VAL  58          HG12      VAL  58  -4.404  -2.226  -3.569
  477   3HG1  VAL  58          HG13      VAL  58  -5.012  -0.574  -3.651
  478   1HG2  VAL  58          HG21      VAL  58  -6.099  -3.909  -3.626
  479   2HG2  VAL  58          HG22      VAL  58  -5.425  -3.898  -5.254
  480   3HG2  VAL  58          HG23      VAL  58  -7.173  -3.921  -5.024
  481    H    GLN  59           HN       GLN  59  -8.307   0.040  -5.418
  482    HA   GLN  59           HA       GLN  59  -7.058   2.511  -4.712
  483   1HB   GLN  59          HB2       GLN  59  -9.703   1.916  -6.090
  484   2HB   GLN  59          HB1       GLN  59  -8.821   3.441  -6.191
  485   1HG   GLN  59          HG2       GLN  59  -6.911   1.519  -6.849
  486   2HG   GLN  59          HG1       GLN  59  -8.378   0.953  -7.649
  487   1HE2  GLN  59          HE21      GLN  59  -8.341   1.708  -9.773
  488   2HE2  GLN  59          HE22      GLN  59  -7.905   3.282 -10.237
  489    H    LYS  60           HN       LYS  60  -9.925   0.851  -3.566
  490    HA   LYS  60           HA       LYS  60 -11.040   3.116  -2.130
  491   1HB   LYS  60          HB2       LYS  60 -11.524   0.222  -2.536
  492   2HB   LYS  60          HB1       LYS  60 -12.091   0.861  -0.993
  493   1HG   LYS  60          HG2       LYS  60 -13.350   2.619  -2.164
  494   2HG   LYS  60          HG1       LYS  60 -12.765   2.016  -3.715
  495   1HD   LYS  60          HD2       LYS  60 -13.780  -0.274  -2.664
  496   2HD   LYS  60          HD1       LYS  60 -14.858   0.914  -1.929
  497   1HE   LYS  60          HE2       LYS  60 -14.802   1.858  -4.478
  498   2HE   LYS  60          HE1       LYS  60 -14.600   0.120  -4.777
  499   1HZ   LYS  60          HZ1       LYS  60 -16.904   0.428  -4.594
  500   2HZ   LYS  60          HZ2       LYS  60 -16.755   1.479  -3.268
  501   3HZ   LYS  60          HZ3       LYS  60 -16.440  -0.180  -3.081
  502    H    TYR  61           HN       TYR  61  -8.782   0.490  -1.407
  503    HA   TYR  61           HA       TYR  61  -8.773   0.953   1.471
  504   1HB   TYR  61          HB2       TYR  61  -7.446  -0.742  -0.556
  505   2HB   TYR  61          HB1       TYR  61  -6.472  -0.402   0.876
  506    HD1  TYR  61           HD1      TYR  61 -10.005  -1.331  -0.010
  507    HD2  TYR  61           HD2      TYR  61  -6.719  -1.803   2.716
  508    HE1  TYR  61           HE1      TYR  61 -11.316  -2.993   1.282
  509    HE2  TYR  61           HE2      TYR  61  -8.030  -3.465   4.008
  510    HH   TYR  61           HH       TYR  61 -11.368  -3.909   3.577
  511    H    ILE  62           HN       ILE  62  -6.747   1.970  -1.264
  512    HA   ILE  62           HA       ILE  62  -4.662   3.208   0.273
  513    HB   ILE  62           HB       ILE  62  -5.770   3.828  -2.488
  514   1HG1  ILE  62          HG12      ILE  62  -3.345   2.156  -1.851
  515   2HG1  ILE  62          HG11      ILE  62  -4.954   1.435  -1.867
  516   1HG2  ILE  62          HG21      ILE  62  -3.046   4.305  -2.494
  517   2HG2  ILE  62          HG22      ILE  62  -3.542   4.909  -0.912
  518   3HG2  ILE  62          HG23      ILE  62  -4.294   5.546  -2.373
  519   1HD1  ILE  62          HD11      ILE  62  -3.274   2.056  -4.100
  520   2HD1  ILE  62          HD12      ILE  62  -4.721   3.059  -4.197
  521   3HD1  ILE  62          HD13      ILE  62  -4.868   1.304  -4.109
  522    H    SER  63           HN       SER  63  -7.523   4.646  -1.346
  523    HA   SER  63           HA       SER  63  -7.159   7.297  -0.358
  524   1HB   SER  63          HB2       SER  63  -9.347   5.620  -1.500
  525   2HB   SER  63          HB1       SER  63  -9.817   7.127  -0.719
  526    HG   SER  63           HG       SER  63  -8.237   6.678  -2.990
  527    H    LEU  64           HN       LEU  64  -8.736   4.449   1.048
  528    HA   LEU  64           HA       LEU  64  -9.929   5.904   3.273
  529   1HB   LEU  64          HB2       LEU  64  -9.555   3.089   2.350
  530   2HB   LEU  64          HB1       LEU  64  -9.933   3.337   4.055
  531    HG   LEU  64           HG       LEU  64 -11.535   4.452   1.733
  532   1HD1  LEU  64          HD11      LEU  64 -12.118   2.204   1.723
  533   2HD1  LEU  64          HD12      LEU  64 -13.252   2.821   2.924
  534   3HD1  LEU  64          HD13      LEU  64 -11.779   2.002   3.442
  535   1HD2  LEU  64          HD21      LEU  64 -13.162   4.705   3.822
  536   2HD2  LEU  64          HD22      LEU  64 -11.965   5.947   3.457
  537   3HD2  LEU  64          HD23      LEU  64 -11.639   4.752   4.712
  538    H    LEU  65           HN       LEU  65  -7.190   3.582   3.068
  539    HA   LEU  65           HA       LEU  65  -6.285   3.808   5.728
  540   1HB   LEU  65          HB2       LEU  65  -5.118   3.140   3.059
  541   2HB   LEU  65          HB1       LEU  65  -3.994   3.382   4.396
  542    HG   LEU  65           HG       LEU  65  -6.335   1.451   4.376
  543   1HD1  LEU  65          HD11      LEU  65  -3.408   1.214   3.840
  544   2HD1  LEU  65          HD12      LEU  65  -4.754   0.317   3.137
  545   3HD1  LEU  65          HD13      LEU  65  -4.172  -0.088   4.752
  546   1HD2  LEU  65          HD21      LEU  65  -6.155   1.470   6.623
  547   2HD2  LEU  65          HD22      LEU  65  -4.861   2.664   6.529
  548   3HD2  LEU  65          HD23      LEU  65  -4.479   0.943   6.471
  549    H    LYS  66           HN       LYS  66  -5.486   5.820   2.908
  550    HA   LYS  66           HA       LYS  66  -4.991   8.171   4.516
  551   1HB   LYS  66          HB2       LYS  66  -3.024   6.479   4.884
  552   2HB   LYS  66          HB1       LYS  66  -2.507   6.998   3.280
  553   1HG   LYS  66          HG2       LYS  66  -1.925   9.090   3.995
  554   2HG   LYS  66          HG1       LYS  66  -3.245   9.169   5.162
  555   1HD   LYS  66          HD2       LYS  66  -1.179   9.060   6.408
  556   2HD   LYS  66          HD1       LYS  66  -1.985   7.499   6.575
  557   1HE   LYS  66          HE2       LYS  66  -0.165   6.475   5.706
  558   2HE   LYS  66          HE1       LYS  66  -0.341   7.425   4.217
  559   1HZ   LYS  66          HZ1       LYS  66   0.895   8.434   6.723
  560   2HZ   LYS  66          HZ2       LYS  66   0.798   9.256   5.239
  561   3HZ   LYS  66          HZ3       LYS  66   1.773   7.872   5.386
  562    H    THR  67           HN       THR  67  -4.938   9.986   3.165
  563    HA   THR  67           HA       THR  67  -5.280   9.480   0.270
  564    HB   THR  67           HB       THR  67  -5.567  11.992   1.948
  565    HG1  THR  67           HG1      THR  67  -7.854  11.380   1.631
  566   1HG2  THR  67          HG21      THR  67  -6.842  12.859   0.086
  567   2HG2  THR  67          HG22      THR  67  -6.732  11.318  -0.765
  568   3HG2  THR  67          HG23      THR  67  -5.287  12.302  -0.532
  569    HA   PRO  68           HA       PRO  68  -1.137  10.854  -0.519
  570   1HB   PRO  68          HB2       PRO  68  -1.366  11.311  -3.205
  571   2HB   PRO  68          HB1       PRO  68  -1.266   9.680  -2.510
  572   1HG   PRO  68          HG2       PRO  68  -3.641  11.180  -3.483
  573   2HG   PRO  68          HG1       PRO  68  -3.262   9.456  -3.612
  574   1HD   PRO  68          HD2       PRO  68  -5.012  10.507  -1.787
  575   2HD   PRO  68          HD1       PRO  68  -4.130   8.982  -1.557
  576    H    LYS  69           HN       LYS  69  -1.617  12.891   0.743
  577    HA   LYS  69           HA       LYS  69  -2.136  15.226  -1.047
  578   1HB   LYS  69          HB2       LYS  69  -3.072  16.300   0.920
  579   2HB   LYS  69          HB1       LYS  69  -3.786  14.695   0.782
  580   1HG   LYS  69          HG2       LYS  69  -1.789  13.974   2.332
  581   2HG   LYS  69          HG1       LYS  69  -1.732  15.689   2.739
  582   1HD   LYS  69          HD2       LYS  69  -4.341  15.382   3.038
  583   2HD   LYS  69          HD1       LYS  69  -3.899  13.689   3.268
  584   1HE   LYS  69          HE2       LYS  69  -2.357  14.302   5.079
  585   2HE   LYS  69          HE1       LYS  69  -2.722  16.021   4.825
  586   1HZ   LYS  69          HZ1       LYS  69  -4.788  13.963   5.384
  587   2HZ   LYS  69          HZ2       LYS  69  -5.001  15.648   5.335
  588   3HZ   LYS  69          HZ3       LYS  69  -4.095  14.939   6.586
  589    H    GLN  70           HN       GLN  70   0.456  14.361  -1.125
  590    HA   GLN  70           HA       GLN  70   1.903  16.218   0.739
  591   1HB   GLN  70          HB2       GLN  70   2.256  13.765   1.080
  592   2HB   GLN  70          HB1       GLN  70   2.859  13.654  -0.574
  593   1HG   GLN  70          HG2       GLN  70   4.807  14.818  -0.090
  594   2HG   GLN  70          HG1       GLN  70   4.076  15.683   1.263
  595   1HE2  GLN  70          HE21      GLN  70   6.394  14.669   2.047
  596   2HE2  GLN  70          HE22      GLN  70   6.234  13.206   2.894
  597    H    LEU  71           HN       LEU  71   2.845  17.910  -0.323
  598    HA   LEU  71           HA       LEU  71   3.180  17.770  -3.275
  599   1HB   LEU  71          HB2       LEU  71   3.065  19.906  -1.153
  600   2HB   LEU  71          HB1       LEU  71   3.706  20.286  -2.752
  601    HG   LEU  71           HG       LEU  71   1.411  18.900  -3.371
  602   1HD1  LEU  71          HD11      LEU  71   0.290  18.788  -1.369
  603   2HD1  LEU  71          HD12      LEU  71  -0.198  20.417  -1.835
  604   3HD1  LEU  71          HD13      LEU  71   1.132  20.186  -0.700
  605   1HD2  LEU  71          HD21      LEU  71   0.516  21.092  -3.997
  606   2HD2  LEU  71          HD22      LEU  71   2.245  21.044  -4.343
  607   3HD2  LEU  71          HD23      LEU  71   1.655  21.892  -2.913