*HEADER   NEUROTOXIN                              13-AUG-97   1AS5    
*TITLE    SOLUTION STRUCTURE OF CONOTOXIN Y-PIIIE FROM CONUS          
*TITLE   2 PURPURASCENS, NMR, 14 STRUCTURES                           
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: CONOTOXIN Y-PIIIE;                               
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 ENGINEERED: YES;                                           
*COMPND  5 OTHER_DETAILS: CONOTOXIN Y-PIIIE CONTAINS THE SAME         
*COMPND  6 DISULFIDE BONDING PATTERN AS THE MU-CONOTOXINS             
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES;                                            
*SOURCE  3 ORGANISM_SCIENTIFIC: CONUS PURPURASCENS                    
*KEYWDS   CONOTOXIN, NEUROTOXIN, ACETYLCHOLINE                        
*EXPDTA   NMR, 14 STRUCTURES                                          
*AUTHOR   S.S.MITCHELL,K.SHON,M.P.FOSTER,B.M.OLIVERA,C.M.IRELAND      
*REVDAT  1   14-OCT-98 1AS5    0                                      
 
!BIOSYM restraint 1
!
#remote_prochiral_center
1:LEU_6:HD1*    1:LEU_6:HD2*    1:LEU_6:CD1     1:LEU_6:CD2     1:LEU_6:CG     
!
#chiral
1:HI+N_1:CA        S
1:PRO_2:CA         S
1:PRO_2:CG         R
1:PRO_3:CA         S
1:PRO_3:CG         R
1:CYS_4:CA         R
1:CYS_5:CA         R
1:LEU_6:CA         S
1:TYR_7:CA         S
1:LYS+_9:CA        S
1:CYS_10:CA        R
1:ARG+_11:CA       S
1:ARG+_12:CA       S
1:TYR_13:CA        S
1:PRO_14:CA        S
1:PRO_14:CG        R
1:CYS_16:CA        R
1:SER_17:CA        S
1:SER_18:CA        S
1:ALA_19:CA        S
1:SER_20:CA        S
1:CYS_21:CA        R
1:CYS_22:CA        R
1:GLN_23:CA        S
1:ARG+_24:CA       S
!
#distance
1:TYR_13:HE*       1:PRO_2:HG          2.000  8.000  1.00  1.00 1000.000
1:TYR_13:HE*       1:PRO_3:HDR         2.000  8.000  1.00  1.00 1000.000
1:TYR_13:HE*       1:PRO_3:HDS         2.000  8.000  1.00  1.00 1000.000
1:TYR_13:HE*       1:HI+N_1:HB1        2.000  8.000  1.00  1.00 1000.000
1:TYR_13:HE*       1:HI+N_1:HB2        2.000  8.000  1.00  1.00 1000.000
1:TYR_13:HE*       1:PRO_2:HBR         2.000  8.000  1.00  1.00 1000.000
1:TYR_13:HE*       1:PRO_2:HBS         2.000  8.000  1.00  1.00 1000.000
1:TYR_13:HA        1:PRO_14:HDR        1.000  3.500  1.00  1.00 1000.000
1:TYR_13:HA        1:PRO_14:HDS        1.000  3.500  1.00  1.00 1000.000
1:PRO_2:HA         1:PRO_3:HDR         1.000  3.500  1.00  1.00 1000.000
1:PRO_2:HA         1:PRO_3:HDS         1.000  4.500  1.00  1.00 1000.000
!
#NOE_distance
1:GLY_15:HN        1:GLY_15:HA2        2.720  2.734  2.734 20.00 20.00 1000.000  0.00
1:GLY_8:HN         1:GLY_8:HA2         2.323  2.343  2.343 20.00 20.00 1000.000  0.00
1:TYR_7:HN         1:TYR_7:HA          2.417  2.577  2.577 20.00 20.00 1000.000  0.00
1:TYR_7:HN         1:LEU_6:HA          2.203  2.227  2.227 20.00 20.00 1000.000  0.00
1:SER_20:HN        1:SER_20:HA         2.846  3.028  3.028 20.00 20.00 1000.000  0.00
1:TYR_13:HN        1:CYS_16:HBS        2.948  3.129  3.129 20.00 20.00 1000.000  0.00
1:TYR_13:HD*       1:PRO_14:HDS        0.513  5.465  3.465 20.00 20.00 1000.000  0.00
1:TYR_7:HN         1:TYR_7:HBS         1.009  5.586  3.386 20.00 20.00 1000.000  0.00
1:TYR_7:HN         1:TYR_7:HBR         3.148  3.253  3.253 20.00 20.00 1000.000  0.00
1:CYS_4:HN         1:PRO_3:HBR         3.163  3.400  3.400 20.00 20.00 1000.000  0.00
1:CYS_4:HN         1:CYS_4:HB2         2.359  2.426  2.426 20.00 20.00 1000.000  0.00
1:CYS_4:HN         1:CYS_4:HB1         2.718  3.059  3.059 20.00 20.00 1000.000  0.00
1:ARG+_11:HN       1:ARG+_11:HD*       1.000  3.500 999.990 20.00 20.00 1000.000  0.00
1:GLY_15:HN        1:PRO_14:HBR        1.726  4.471  3.271 20.00 20.00 1000.000  0.00
1:GLY_15:HN        1:CYS_16:HBR        3.591  3.756  3.756 20.00 20.00 1000.000  0.00
1:GLY_8:HN         1:TYR_7:HBR         3.095  3.118  3.118 20.00 20.00 1000.000  0.00
1:GLY_8:HN         1:TYR_7:HBS         3.224  4.496  4.496 20.00 20.00 1000.000  0.00
1:SER_17:HN        1:CYS_16:HBR        3.191  3.739  3.739 20.00 20.00 1000.000  0.00
1:SER_17:HN        1:CYS_16:HBS        3.629  3.954  3.954 20.00 20.00 1000.000  0.00
1:LEU_6:HN         1:ARG+_11:HD*       2.500  4.500 999.990 20.00 20.00 1000.000  0.00
1:LEU_6:HN         1:CYS_5:HBR         3.225  3.251  3.251 20.00 20.00 1000.000  0.00
1:LEU_6:HN         1:CYS_5:HBS         3.374  3.802  3.802 20.00 20.00 1000.000  0.00
1:CYS_16:HN        1:GLY_15:HA2        3.015  3.328  3.328 20.00 20.00 1000.000  0.00
1:CYS_16:HN        1:CYS_16:HBS        2.536  3.050  3.050 20.00 20.00 1000.000  0.00
1:CYS_16:HN        1:CYS_16:HBR        2.310  2.389  2.389 20.00 20.00 1000.000  0.00
1:CYS_5:HN         1:CYS_4:HB1         2.387  2.547  2.547 20.00 20.00 1000.000  0.00
1:CYS_5:HN         1:CYS_5:HBR         3.024  3.554  3.554 20.00 20.00 1000.000  0.00
1:CYS_5:HN         1:CYS_5:HBS         2.326  2.451  2.451 20.00 20.00 1000.000  0.00
1:CYS_5:HN         1:PRO_3:HBR         3.211  3.403  3.403 20.00 20.00 1000.000  0.00
1:CYS_21:HN        1:CYS_21:HB1        2.728  3.301  3.301 20.00 20.00 1000.000  0.00
1:CYS_21:HN        1:CYS_21:HB2        2.577  2.643  2.643 20.00 20.00 1000.000  0.00
1:TYR_13:HN        1:TYR_13:HBR        0.498  4.509  2.509 20.00 20.00 1000.000  0.00
1:TYR_13:HN        1:TYR_13:HBS        2.902  2.986  2.986 20.00 20.00 1000.000  0.00
1:ARG+_12:HE       1:ARG+_12:HD*       1.000  3.500 999.990 20.00 20.00 1000.000  0.00
1:TYR_13:HN        1:CYS_16:HBR        2.664  2.675  2.675 20.00 20.00 1000.000  0.00
1:TYR_7:HD*        1:TYR_7:HBS         0.752  4.957  2.957 20.00 20.00 1000.000  0.00
1:TYR_7:HD*        1:TYR_7:HBR         0.470  4.654  2.654 20.00 20.00 1000.000  0.00
1:TYR_13:HD*       1:TYR_13:HBS        0.360  4.561  2.561 20.00 20.00 1000.000  0.00
1:TYR_13:HD*       1:HI+N_1:HB2        1.291  7.604  5.604 20.00 20.00 1000.000  0.00
1:TYR_13:HD*       1:PRO_14:HBR        1.387  5.989  3.989 20.00 20.00 1000.000  0.00
1:TYR_13:HD*       1:TYR_13:HBR        0.130  4.486  2.486 20.00 20.00 1000.000  0.00
1:TYR_7:HE*        1:TYR_7:HBR         1.476  6.464  4.464 20.00 20.00 1000.000  0.00
1:TYR_13:HE*       1:PRO_14:HBS        0.101  4.482  2.482 20.00 20.00 1000.000  0.00
1:TYR_13:HE*       1:PRO_14:HBR        1.341  5.487  3.487 20.00 20.00 1000.000  0.00
1:TYR_13:HE*       1:PRO_3:HBR         1.227  5.605  3.605 20.00 20.00 1000.000  0.00
1:TYR_13:HE*       1:TYR_13:HBS        1.406  5.728  3.728 20.00 20.00 1000.000  0.00
1:TYR_7:HE*        1:TYR_7:HBS         1.745  6.382  4.382 20.00 20.00 1000.000  0.00
1:CYS_21:HN        1:ALA_19:HB*        2.241  4.523  3.523 20.00 20.00 1000.000  0.00
1:ARG+_12:HE       1:ARG+_12:HG*       1.000  3.500 999.990 20.00 20.00 1000.000  0.00
1:TYR_13:HN        1:ARG+_12:HG*       1.000  5.500 999.990 20.00 20.00 1000.000  0.00
1:ARG+_12:HE       1:ARG+_12:HBS       3.562  3.917  3.917 20.00 20.00 1000.000  0.00
1:TYR_13:HN        1:ARG+_12:HBS       3.339  7.128  7.128 20.00 20.00 1000.000  0.00
1:TYR_13:HN        1:ARG+_11:HB2       3.021  3.507  3.507 20.00 20.00 1000.000  0.00
1:TYR_7:HD*        1:LEU_6:HB1         1.215  5.738  3.738 20.00 20.00 1000.000  0.00
1:TYR_7:HD*        1:LEU_6:HB2         4.228  8.230  6.230 20.00 20.00 1000.000  0.00
1:TYR_7:HD*        1:LEU_6:HG          1.054  5.138  3.138 20.00 20.00 1000.000  0.00
1:TYR_7:HD*        1:LEU_6:HD1*        0.629  8.206  5.206 20.00 20.00 1000.000  0.00
1:TYR_7:HD*        1:LEU_6:HD2*        0.739  7.172  4.172 20.00 20.00 1000.000  0.00
1:TYR_13:HD*       1:ARG+_11:HG*       1.000  5.500 999.990 20.00 20.00 1000.000  0.00
1:TYR_13:HD*       1:ARG+_11:HB1       1.047  5.801  3.801 20.00 20.00 1000.000  0.00
1:TYR_13:HD*       1:ARG+_11:HB2       0.827  5.241  3.241 20.00 20.00 1000.000  0.00
1:TYR_7:HE*        1:LEU_6:HD2*        0.944  7.074  4.074 20.00 20.00 1000.000  0.00
1:TYR_7:HE*        1:LEU_6:HD1*        0.829  7.626  4.626 20.00 20.00 1000.000  0.00
1:TYR_7:HE*        1:LEU_6:HG          1.634  5.735  3.735 20.00 20.00 1000.000  0.00
1:TYR_13:HE*       1:PRO_2:HBS         0.905  4.935  2.935 20.00 20.00 1000.000  0.00
1:ALA_19:HN        1:SER_18:HB2        2.988  4.248  4.248 20.00 20.00 1000.000  0.00
1:CYS_22:HN        1:CYS_22:HB1        2.688  3.398  3.398 20.00 20.00 1000.000  0.00
1:CYS_22:HN        1:CYS_22:HB2        2.309  2.354  2.354 20.00 20.00 1000.000  0.00
1:LYS+_9:HN        1:GLY_8:HA2         3.249  3.250  3.250 20.00 20.00 1000.000  0.00
1:SER_18:HN        1:SER_18:HB1        2.432  2.901  2.901 20.00 20.00 1000.000  0.00
1:HI+N_1:HD1       1:HI+N_1:HB1        2.378  2.675  2.675 20.00 20.00 1000.000  0.00
1:GLN_23:HN        1:CYS_22:HB1        3.292  3.523  3.523 20.00 20.00 1000.000  0.00
1:GLN_23:HN        1:CYS_22:HB2        2.754  3.237  3.237 20.00 20.00 1000.000  0.00
1:ARG+_12:HN       1:ARG+_12:HG*       1.000  3.500 999.990 20.00 20.00 1000.000  0.00
1:ARG+_12:HN       1:ARG+_12:HBS       2.694  3.021  3.021 20.00 20.00 1000.000  0.00
1:ALA_19:HN        1:ALA_19:HB*        1.445  3.559  2.559 20.00 20.00 1000.000  0.00
1:CYS_22:HN        1:GLN_23:HBR        3.111  3.605  3.605 20.00 20.00 1000.000  0.00
1:CYS_22:HN        1:GLN_23:HG*        1.000  3.500 999.990 20.00 20.00 1000.000  0.00
1:SER_18:HN        1:ALA_19:HB*        2.674  5.379  4.379 20.00 20.00 1000.000  0.00
1:LYS+_9:HN        1:LYS+_9:HB*        1.000  3.500 999.990 20.00 20.00 1000.000  0.00
1:GLN_23:HN        1:GLN_23:HBR        2.337  2.477  2.477 20.00 20.00 1000.000  0.00
1:GLN_23:HN        1:GLN_23:HBS        2.769  3.307  3.307 20.00 20.00 1000.000  0.00
1:GLN_23:HN        1:GLN_23:HG*        1.000  3.500 999.990 20.00 20.00 1000.000  0.00
1:HI+N_1:HD1       1:HI+N_1:HB2        2.644  3.479  3.479 20.00 20.00 1000.000  0.00
1:HI+N_1:HD1       1:TYR_13:HBS        3.451  3.463  3.463 20.00 20.00 1000.000  0.00
1:CYS_10:HN        1:LYS+_9:HG*        1.000  3.500 999.990 20.00 20.00 1000.000  0.00
1:ARG+_24:HN       1:GLN_23:HBS        2.909  3.018  3.018 20.00 20.00 1000.000  0.00
1:ARG+_24:HN       1:GLN_23:HBR        3.528  3.687  3.687 20.00 20.00 1000.000  0.00
1:ARG+_24:HN       1:ARG+_24:HB1       3.492  3.661  3.661 20.00 20.00 1000.000  0.00
1:ARG+_24:HN       1:ARG+_24:HB2       2.907  2.912  2.912 20.00 20.00 1000.000  0.00
1:ARG+_24:HN       1:ARG+_24:HG*       3.500  6.000 999.990 20.00 20.00 1000.000  0.00
1:LEU_6:HN         1:LEU_6:HD2*        2.566  5.327  4.327 20.00 20.00 1000.000  0.00
1:LEU_6:HN         1:LEU_6:HD1*        2.843  5.049  4.049 20.00 20.00 1000.000  0.00
1:LEU_6:HN         1:LEU_6:HG          2.528  4.606  3.606 20.00 20.00 1000.000  0.00
1:LEU_6:HN         1:LEU_6:HB2         2.536  2.602  2.602 20.00 20.00 1000.000  0.00
1:LEU_6:HN         1:LEU_6:HB1         2.483  2.562  2.562 20.00 20.00 1000.000  0.00
1:ARG+_12:HN       1:ARG+_11:HB2       2.817  2.977  2.977 20.00 20.00 1000.000  0.00
1:TYR_7:HN         1:LEU_6:HB1         3.300  3.714  3.714 20.00 20.00 1000.000  0.00
1:TYR_7:HN         1:LEU_6:HB2         3.049  3.947  3.947 20.00 20.00 1000.000  0.00
1:TYR_7:HN         1:LEU_6:HG          3.159  3.300  3.300 20.00 20.00 1000.000  0.00
1:TYR_7:HN         1:LEU_6:HD1*        3.793  6.074  5.074 20.00 20.00 1000.000  0.00
1:TYR_7:HN         1:LEU_6:HD2*        2.073  4.386  3.386 20.00 20.00 1000.000  0.00
1:SER_20:HN        1:ALA_19:HB*        2.252  4.392  3.392 20.00 20.00 1000.000  0.00
1:CYS_4:HN         1:PRO_3:HBS         3.369  3.506  3.506 20.00 20.00 1000.000  0.00
1:ARG+_11:HN       1:ARG+_11:HG*       1.000  3.500 999.990 20.00 20.00 1000.000  0.00
1:ARG+_11:HN       1:ARG+_11:HB1       2.530  2.901  2.901 20.00 20.00 1000.000  0.00
1:ARG+_11:HN       1:ARG+_11:HB2       2.417  3.013  3.013 20.00 20.00 1000.000  0.00
1:ARG+_11:HN       1:ARG+_11:HA        2.755  2.789  2.789 20.00 20.00 1000.000  0.00
1:GLY_8:HN         1:GLY_8:HA1         2.611  2.902  2.902 20.00 20.00 1000.000  0.00
1:GLY_8:HN         1:TYR_7:HA          2.837  2.844  2.844 20.00 20.00 1000.000  0.00
1:CYS_10:HN        1:LYS+_9:HA         2.426  2.463  2.463 20.00 20.00 1000.000  0.00
1:GLY_15:HN        1:GLY_15:HA1        2.342  2.376  2.376 20.00 20.00 1000.000  0.00
1:ARG+_11:HN       1:CYS_10:HA         2.939  2.946  2.946 20.00 20.00 1000.000  0.00
1:CYS_4:HN         1:CYS_4:HA          3.167  3.177  3.177 20.00 20.00 1000.000  0.00
1:ARG+_24:HN       1:GLN_23:HA         2.369  2.482  2.482 20.00 20.00 1000.000  0.00
1:LEU_6:HN         1:LEU_6:HA          2.930  2.974  2.974 20.00 20.00 1000.000  0.00
1:LEU_6:HN         1:CYS_5:HA          2.673  2.699  2.699 20.00 20.00 1000.000  0.00
1:CYS_5:HN         1:CYS_5:HA          3.461  3.473  3.473 20.00 20.00 1000.000  0.00
1:CYS_16:HN        1:CYS_16:HA         3.423  3.552  3.552 20.00 20.00 1000.000  0.00
1:SER_20:HN        1:ALA_19:HA         2.425  2.444  2.444 20.00 20.00 1000.000  0.00
1:CYS_16:HN        1:SER_17:HA         3.594  3.874  3.874 20.00 20.00 1000.000  0.00
1:ARG+_12:HN       1:ARG+_12:HA        2.488  2.538  2.538 20.00 20.00 1000.000  0.00
1:ARG+_12:HN       1:ARG+_11:HA        2.283  2.316  2.316 20.00 20.00 1000.000  0.00
1:ALA_19:HN        1:SER_18:HB1        2.903  3.420  3.420 20.00 20.00 1000.000  0.00
1:ALA_19:HN        1:ALA_19:HA         2.669  2.746  2.746 20.00 20.00 1000.000  0.00
1:ALA_19:HN        1:SER_18:HA         2.880  3.593  3.593 20.00 20.00 1000.000  0.00
1:LYS+_9:HN        1:LYS+_9:HA         3.342  3.410  3.410 20.00 20.00 1000.000  0.00
1:SER_18:HN        1:SER_18:HA         3.085  3.129  3.129 20.00 20.00 1000.000  0.00
1:LYS+_9:HN        1:GLY_8:HA1         2.819  3.673  3.673 20.00 20.00 1000.000  0.00
1:CYS_22:HN        1:SER_20:HB1        3.181  4.766  4.766 20.00 20.00 1000.000  0.00
1:SER_18:HN        1:SER_17:HA         2.698  2.733  2.733 20.00 20.00 1000.000  0.00
1:GLN_23:HN        1:SER_20:HB1        3.104  4.410  4.410 20.00 20.00 1000.000  0.00
1:GLN_23:HN        1:GLN_23:HA         2.581  2.635  2.635 20.00 20.00 1000.000  0.00
1:CYS_21:HN        1:SER_20:HB2        2.838  3.141  3.141 20.00 20.00 1000.000  0.00
1:CYS_21:HN        1:SER_20:HB1        2.989  3.770  3.770 20.00 20.00 1000.000  0.00
1:CYS_21:HN        1:CYS_21:HA         2.838  3.141  3.141 20.00 20.00 1000.000  0.00
1:TYR_13:HN        1:ARG+_12:HA        2.239  2.374  2.374 20.00 20.00 1000.000  0.00
1:TYR_13:HD*       1:TYR_13:HA         1.339  5.479  3.479 20.00 20.00 1000.000  0.00
1:TYR_7:HD*        1:TYR_7:HA          0.782  4.783  2.783 20.00 20.00 1000.000  0.00
1:TYR_13:HD*       1:PRO_14:HDR        1.075  5.639  3.639 20.00 20.00 1000.000  0.00
1:TYR_13:HE*       1:PRO_2:HG          1.636  6.224  4.224 20.00 20.00 1000.000  0.00
1:TYR_7:HN         1:TYR_7:HD*         1.058  5.388  3.388 20.00 20.00 1000.000  0.00
1:SER_20:HN        1:CYS_21:HN         3.027  3.076  3.076 20.00 20.00 1000.000  0.00
1:SER_20:HN        1:ALA_19:HN         3.259  3.713  3.713 20.00 20.00 1000.000  0.00
1:TYR_7:HN         1:LEU_6:HN          1.910  5.589  3.789 20.00 20.00 1000.000  0.00
1:TYR_7:HN         1:GLY_8:HN          2.512  2.637  2.637 20.00 20.00 1000.000  0.00
1:CYS_4:HN         1:CYS_5:HN          2.725  2.807  2.807 20.00 20.00 1000.000  0.00
1:ARG+_11:HN       1:ARG+_12:HN        3.287  3.843  3.843 20.00 20.00 1000.000  0.00
1:GLY_8:HN         1:LYS+_9:HN         2.635  2.656  2.656 20.00 20.00 1000.000  0.00
1:GLY_15:HN        1:CYS_16:HN         2.441  2.555  2.555 20.00 20.00 1000.000  0.00
1:ARG+_24:HN       1:GLN_23:HN         3.195  6.259  6.259 20.00 20.00 1000.000  0.00
1:SER_17:HN        1:SER_18:HN         2.884  2.913  2.913 20.00 20.00 1000.000  0.00
1:SER_17:HN        1:ALA_19:HN         1.284  4.513  2.913 20.00 20.00 1000.000  0.00
1:SER_17:HN        1:CYS_16:HN         2.310  2.389  2.389 20.00 20.00 1000.000  0.00
1:GLY_15:HN        1:SER_17:HN         3.591  3.756  3.756 20.00 20.00 1000.000  0.00
1:GLY_15:HN        1:PRO_14:HBS        3.372  3.636  3.636 20.00 20.00 1000.000  0.00
1:CYS_5:HN         1:PRO_3:HBS         3.149  3.228  3.228 20.00 20.00 1000.000  0.00
1:CYS_5:HN         1:ALA_19:HB*        2.686  5.688  4.688 20.00 20.00 1000.000  0.00
1:SER_17:HN        1:SER_17:HA         2.610  2.652  2.652 20.00 20.00 1000.000  0.00
1:SER_17:HN        1:SER_17:HB1        2.479  2.551  2.551 20.00 20.00 1000.000  0.00
1:CYS_10:HN        1:CYS_10:HB1        2.449  2.457  2.457 20.00 20.00 1000.000  0.00
1:CYS_10:HN        1:CYS_10:HB2        2.447  2.492  2.492 20.00 20.00 1000.000  0.00
1:CYS_22:HN        1:CYS_21:HA         2.576  4.168  4.168 20.00 20.00 1000.000  0.00
1:GLN_23:HN        1:CYS_22:HA         3.027  3.469  3.469 20.00 20.00 1000.000  0.00
1:TYR_13:HD*       1:PRO_3:HBS         0.061  7.512  3.812 20.00 20.00 1000.000  0.00
1:TYR_7:HD*        1:TYR_7:HE*        -1.000  7.079  3.079 20.00 20.00 1000.000  0.00
1:TYR_13:HD*       1:TYR_13:HE*       -1.000  6.482  2.482 20.00 20.00 1000.000  0.00
1:GLY_15:HA2       1:GLY_15:HA1        2.316  2.325  2.325 20.00 20.00 1000.000  0.00
1:SER_20:HN        1:SER_20:HB1        2.784  3.407  3.407 20.00 20.00 1000.000  0.00
1:SER_20:HN        1:SER_20:HB2        2.866  3.117  3.117 20.00 20.00 1000.000  0.00
1:GLY_8:HA2        1:GLY_8:HA1         1.958  2.008  2.008 20.00 20.00 1000.000  0.00
1:PRO_2:HDR        1:PRO_2:HG          2.575  2.611  2.611 20.00 20.00 1000.000  0.00
1:PRO_2:HBR        1:PRO_2:HG          2.569  2.586  2.586 20.00 20.00 1000.000  0.00
1:PRO_2:HDS        1:PRO_2:HG          2.338  2.356  2.356 20.00 20.00 1000.000  0.00
1:PRO_2:HBS        1:PRO_2:HG          2.397  2.437  2.437 20.00 20.00 1000.000  0.00
1:TYR_7:HBS        1:TYR_7:HA          2.346  2.420  2.420 20.00 20.00 1000.000  0.00
1:ARG+_11:HD*      1:ARG+_11:HA        1.000  5.500 999.990 20.00 20.00 1000.000  0.00
1:TYR_7:HBR        1:TYR_7:HA          2.482  2.587  2.587 20.00 20.00 1000.000  0.00
1:GLN_23:HG*       1:GLN_23:HA         1.000  3.500 999.990 20.00 20.00 1000.000  0.00
1:GLN_23:HBS       1:GLN_23:HA         2.363  2.579  2.579 20.00 20.00 1000.000  0.00
1:GLN_23:HBR       1:GLN_23:HA         2.367  2.897  2.897 20.00 20.00 1000.000  0.00
1:ARG+_11:HG*      1:ARG+_11:HA        1.000  4.500 999.990 20.00 20.00 1000.000  0.00
1:ALA_19:HB*       1:ALA_19:HA         1.724  3.756  2.756 20.00 20.00 1000.000  0.00
1:ARG+_11:HB1      1:ARG+_11:HA        1.823  2.232  2.232 20.00 20.00 1000.000  0.00
1:SER_18:HB1       1:SER_18:HA        -1.000 999.990 999.990 20.00 20.00 1000.000  0.00
1:LYS+_9:HB*       1:LYS+_9:HA         1.000  3.500 999.990 20.00 20.00 1000.000  0.00
1:PRO_14:HBS       1:PRO_14:HA         2.848  3.049  3.049 20.00 20.00 1000.000  0.00
1:PRO_14:HBR       1:PRO_14:HA         2.694  2.789  2.789 20.00 20.00 1000.000  0.00
1:PRO_2:HDR        1:HI+N_1:HA         2.877  2.916  2.916 20.00 20.00 1000.000  0.00
1:HI+N_1:HB1       1:HI+N_1:HA         2.950  3.079  3.079 20.00 20.00 1000.000  0.00
1:PRO_2:HDS        1:HI+N_1:HA         3.914  4.124  4.124 20.00 20.00 1000.000  0.00
1:HI+N_1:HB2       1:HI+N_1:HA         3.005  3.039  3.039 20.00 20.00 1000.000  0.00
1:TYR_13:HBS       1:TYR_13:HA         2.929  3.185  3.185 20.00 20.00 1000.000  0.00
1:TYR_13:HBR       1:TYR_13:HA        -1.000 999.990 999.990 20.00 20.00 1000.000  0.00
1:PRO_3:HBR        1:PRO_3:HG          3.158  4.100  4.100 20.00 20.00 1000.000  0.00
1:PRO_3:HBS        1:PRO_3:HG          3.151  3.202  3.202 20.00 20.00 1000.000  0.00
1:TYR_7:HE*        1:LEU_6:HB2         4.228  8.230  6.230 20.00 20.00 1000.000  0.00
1:PRO_3:HDS        1:PRO_3:HG         -1.000 999.990 999.990 20.00 20.00 1000.000  0.00
1:PRO_3:HDR        1:PRO_3:HG          3.272  5.255  5.255 20.00 20.00 1000.000  0.00
1:ARG+_11:HB2      1:ARG+_11:HA        2.109  2.242  2.242 20.00 20.00 1000.000  0.00
1:PRO_2:HBR        1:PRO_3:HDR        -1.000  5.608  2.608 20.00 20.00 1000.000  0.00
1:PRO_2:HBR        1:PRO_3:HDS         2.279  2.312  2.312 20.00 20.00 1000.000  0.00
1:PRO_3:HBS        1:PRO_3:HDS         2.643  2.645  2.645 20.00 20.00 1000.000  0.00
1:PRO_3:HBS        1:PRO_3:HDR         3.049  3.874  3.874 20.00 20.00 1000.000  0.00
1:HI+N_1:HB2       1:HI+N_1:HB1        1.805  1.829  1.829 20.00 20.00 1000.000  0.00
1:PRO_2:HDS        1:PRO_2:HDR         1.865  1.868  1.868 20.00 20.00 1000.000  0.00
1:TYR_13:HBS       1:PRO_14:HDS        2.512  2.573  2.573 20.00 20.00 1000.000  0.00
1:TYR_13:HBR       1:PRO_14:HDS        2.093  2.575  2.575 20.00 20.00 1000.000  0.00
1:TYR_13:HBS       1:PRO_14:HDR        0.656  5.827  3.427 20.00 20.00 1000.000  0.00
1:TYR_13:HBR       1:PRO_14:HDR        3.102  3.577  3.577 20.00 20.00 1000.000  0.00
1:PRO_2:HBS        1:PRO_3:HDS         2.699  2.872  2.872 20.00 20.00 1000.000  0.00
1:PRO_2:HBS        1:PRO_3:HDR         2.750  3.533  3.533 20.00 20.00 1000.000  0.00
1:PRO_14:HBR       1:PRO_14:HDS        2.847  4.590  4.590 20.00 20.00 1000.000  0.00
1:SER_18:HB2       1:SER_18:HB1        1.736  1.857  1.857 20.00 20.00 1000.000  0.00
1:PRO_3:HDS        1:PRO_3:HDR         1.950  1.958  1.958 20.00 20.00 1000.000  0.00
1:CYS_16:HBR       1:CYS_16:HBS        1.888  1.898  1.898 20.00 20.00 1000.000  0.00
1:CYS_4:HB1        1:CYS_16:HBS        0.250  4.088  2.288 20.00 20.00 1000.000  0.00
1:CYS_4:HB2        1:CYS_16:HBS        2.050  2.288  2.288 20.00 20.00 1000.000  0.00
1:CYS_21:HB2       1:CYS_21:HB1        1.802  2.307  2.307 20.00 20.00 1000.000  0.00
1:CYS_22:HB2       1:CYS_22:HB1        2.108  2.396  2.396 20.00 20.00 1000.000  0.00
1:CYS_4:HB2        1:CYS_4:HB1         2.050  2.288  2.288 20.00 20.00 1000.000  0.00
1:CYS_5:HBS        1:CYS_5:HBR         2.108  3.657  3.657 20.00 20.00 1000.000  0.00
1:CYS_4:HB1        1:CYS_4:HA          3.077 14.001 14.001 20.00 20.00 1000.000  0.00
1:CYS_4:HB2        1:CYS_4:HA          2.644  2.768  2.768 20.00 20.00 1000.000  0.00
1:GLN_23:HG*       1:SER_20:HB1        1.000  3.500 999.990 20.00 20.00 1000.000  0.00
1:GLN_23:HBR       1:SER_20:HB1        2.691  2.817  2.817 20.00 20.00 1000.000  0.00
1:CYS_22:HN        1:GLN_23:HN         3.027  3.469  3.469 20.00 20.00 1000.000  0.00
1:ALA_19:HN        1:SER_18:HN         2.432  2.901  2.901 20.00 20.00 1000.000  0.00
1:TYR_13:HBR       1:TYR_13:HBS        1.653  1.794  1.794 20.00 20.00 1000.000  0.00
1:ALA_19:HB*       1:CYS_4:HB2         1.732  4.047  3.047 20.00 20.00 1000.000  0.00
1:PRO_2:HDS        1:HI+N_1:HB2        2.360  2.673  2.673 20.00 20.00 1000.000  0.00
1:ARG+_12:HG*      1:ARG+_12:HA        1.000  3.500 999.990 20.00 20.00 1000.000  0.00
1:ARG+_12:HBR      1:ARG+_12:HA        2.584  2.850  2.850 20.00 20.00 1000.000  0.00
1:PRO_14:HBS       1:PRO_14:HBR        1.729  1.986  1.986 20.00 20.00 1000.000  0.00
1:PRO_3:HBS        1:PRO_3:HBR         1.775  1.786  1.786 20.00 20.00 1000.000  0.00
1:PRO_2:HBS        1:PRO_3:HBR        -1.000  4.643  1.743 20.00 20.00 1000.000  0.00
1:GLN_23:HBR       1:GLN_23:HG*        1.000  3.500 999.990 20.00 20.00 1000.000  0.00
1:LYS+_9:HE*       1:LYS+_9:HD*        1.500  4.000 999.990 20.00 20.00 1000.000  0.00
1:CYS_10:HB1       1:CYS_22:HB1        2.401  2.868  2.868 20.00 20.00 1000.000  0.00
1:ALA_19:HB*       1:CYS_16:HBS        2.387  5.128  4.128 20.00 20.00 1000.000  0.00
1:ALA_19:HB*       1:CYS_4:HB1         1.680  3.777  2.777 20.00 20.00 1000.000  0.00
1:GLN_23:HBR       1:GLN_23:HBS        2.365  2.738  2.738 20.00 20.00 1000.000  0.00
1:CYS_16:HBS       1:SER_17:HA         0.950  4.590  2.790 20.00 20.00 1000.000  0.00
1:CYS_16:HBR       1:SER_17:HA         2.651  2.726  2.726 20.00 20.00 1000.000  0.00
1:ARG+_12:HBS      1:ARG+_12:HA        2.332  2.461  2.461 20.00 20.00 1000.000  0.00
1:CYS_5:HBR        1:CYS_5:HA          2.846  2.880  2.880 20.00 20.00 1000.000  0.00
1:CYS_5:HBS        1:CYS_5:HA          2.902  3.114  3.114 20.00 20.00 1000.000  0.00
1:ARG+_11:HB1      1:ARG+_11:HG*       1.000  3.500 999.990 20.00 20.00 1000.000  0.00
1:ARG+_11:HB2      1:ARG+_11:HG*       1.000  3.500 999.990 20.00 20.00 1000.000  0.00
1:LEU_6:HB2        1:LEU_6:HB1         1.722  1.759  1.759 20.00 20.00 1000.000  0.00
1:LEU_6:HG         1:LEU_6:HB1         2.216  2.446  2.446 20.00 20.00 1000.000  0.00
1:LEU_6:HD1*       1:LEU_6:HB1         2.030  4.247  3.247 20.00 20.00 1000.000  0.00
1:LEU_6:HD2*       1:LEU_6:HB1        -1.000 1000.990 999.990 20.00 20.00 1000.000  0.00
1:LEU_6:HG         1:LEU_6:HB2         2.344  3.520  3.520 20.00 20.00 1000.000  0.00
1:LEU_6:HD1*       1:LEU_6:HB2         2.094  4.784  3.784 20.00 20.00 1000.000  0.00
1:LEU_6:HD2*       1:LEU_6:HB2         1.916  4.888  3.888 20.00 20.00 1000.000  0.00
1:TYR_7:HN         1:TYR_7:HE*         2.354  6.542  4.542 20.00 20.00 1000.000  0.00
1:GLY_8:HN         1:TYR_7:HD*         2.160  6.524  4.524 20.00 20.00 1000.000  0.00
1:ARG+_12:HN       1:TYR_13:HN         2.999  4.298  4.298 20.00 20.00 1000.000  0.00
1:CYS_22:HN        1:CYS_21:HN         2.765  3.114  3.114 20.00 20.00 1000.000  0.00
1:CYS_10:HN        1:LYS+_9:HN         3.424  4.306  4.306 20.00 20.00 1000.000  0.00
1:ARG+_11:HN       1:ARG+_11:HE        3.025  3.521  3.521 20.00 20.00 1000.000  0.00
1:ARG+_11:HE       1:ARG+_11:HD*       1.000  5.500 999.990 20.00 20.00 1000.000  0.00
1:ARG+_11:HE       1:ARG+_11:HG*       1.000  5.500 999.990 20.00 20.00 1000.000  0.00
1:ARG+_11:HE       1:ARG+_11:HB1       2.411  2.940  2.940 20.00 20.00 1000.000  0.00
1:ARG+_11:HE       1:ARG+_11:HB2       2.452  2.810  2.810 20.00 20.00 1000.000  0.00
1:TYR_13:HE*       1:ARG+_11:HG*       1.000  5.500 999.990 20.00 20.00 1000.000  0.00
1:TYR_13:HE*       1:ARG+_11:HB1       1.294  5.587  3.587 20.00 20.00 1000.000  0.00
1:TYR_13:HE*       1:ARG+_11:HB2       0.788  5.177  3.177 20.00 20.00 1000.000  0.00
!
#mixing_times
1.000000E-01 2.000000E-01 4.000000E-01 
!
#NMR_dihedral
1:CYS_4:HN         1:CYS_4:N          1:CYS_4:CA         1:CYS_4:HA         -90.000 -40.000 30.00 30.00 1000.000
1:CYS_5:HN         1:CYS_5:N          1:CYS_5:CA         1:CYS_5:HA         -160.000 -80.000 30.00 30.00 1000.000
1:CYS_10:HN        1:CYS_10:N         1:CYS_10:CA        1:CYS_10:HA        -90.000 -40.000 30.00 30.00 1000.000
1:SER_18:HN        1:SER_18:N         1:SER_18:CA        1:SER_18:HA        -160.000 -80.000 30.00 30.00 1000.000
1:CYS_22:HN        1:CYS_22:N         1:CYS_22:CA        1:CYS_22:HA        -160.000 -90.000 30.00 30.00 1000.000
1:ARG+_11:HN       1:ARG+_11:N        1:ARG+_11:CA       1:ARG+_11:HA       -160.000 -90.000 30.00 30.00 1000.000
1:ALA_19:HN        1:ALA_19:N         1:ALA_19:CA        1:ALA_19:HA        -90.000 -40.000 30.00 30.00 1000.000
1:SER_20:HN        1:SER_20:N         1:SER_20:CA        1:SER_20:HA        -90.000 -40.000 30.00 30.00 1000.000
1:SER_17:HN        1:SER_17:N         1:SER_17:CA        1:SER_17:HA        -90.000 -40.000 30.00 30.00 1000.000
1:CYS_21:HN        1:CYS_21:N         1:CYS_21:CA        1:CYS_21:HA        -90.000 -40.000 30.00 30.00 1000.000
1:TYR_7:N          1:TYR_7:CA         1:TYR_7:CB         1:TYR_7:CG         -45.000 -75.000 30.00 30.00 1000.000
1:ARG+_12:N        1:ARG+_12:CA       1:ARG+_12:CB       1:ARG+_12:CG       -45.000 -75.000 30.00 30.00 1000.000
1:TYR_13:N         1:TYR_13:CA        1:TYR_13:CB        1:TYR_13:CG        -45.000 -75.000 30.00 30.00 1000.000
1:GLN_23:N         1:GLN_23:CA        1:GLN_23:CB        1:GLN_23:CG        -45.000 -75.000 30.00 30.00 1000.000
1:CYS_5:N          1:CYS_5:CA         1:CYS_5:CB         1:CYS_5:SG         -45.000 -75.000 30.00 30.00 1000.000
1:CYS_16:N         1:CYS_16:CA        1:CYS_16:CB        1:CYS_16:SG        -45.000 -75.000 30.00 30.00 1000.000


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    HIS   1          2H        HIS   1   9.132   5.448   4.544
    2   2H    HIS   1          1H        HIS   1   7.480   5.455   4.554
    3   3H    HIS   1          3H        HIS   1   8.311   4.940   5.885
    4    HA   HIS   1           HA       HIS   1   9.256   3.093   4.677
    5   1HB   HIS   1          2HB       HIS   1   6.187   3.158   4.237
    6   2HB   HIS   1          1HB       HIS   1   6.947   1.692   4.671
    7    HD1  HIS   1           HD1      HIS   1   4.704   1.711   6.184
    8    HD2  HIS   1           HD2      HIS   1   8.195   3.807   7.499
    9    HE1  HIS   1           HE1      HIS   1   4.620   2.073   8.744
   10    HE2  HIS   1           HE2      HIS   1   6.701   3.303   9.638
   11    HA   HYP   2           HA       PRO   2   9.352   3.109   0.077
   12   1HB   HYP   2          1HB       PRO   2   7.142   1.336  -0.809
   13   2HB   HYP   2          2HB       PRO   2   8.851   1.104  -1.054
   14   1HD   HYP   2          1HD       PRO   2   6.815   1.119   2.358
   15   2HD   HYP   2          2HD       PRO   2   8.489   0.799   2.956
   16    HOD  HYP   2           HG2      PRO   2  10.143   0.718   1.077
   17    HG   HYP   2           HG       PRO   2   7.601  -0.478   0.741
   18    HA   HYP   3           HA       PRO   3   5.250   4.997  -2.186
   19   1HB   HYP   3          1HB       PRO   3   5.739   2.457  -3.711
   20   2HB   HYP   3          2HB       PRO   3   5.058   3.964  -4.309
   21   1HD   HYP   3          1HD       PRO   3   8.293   2.595  -2.830
   22   2HD   HYP   3          2HD       PRO   3   8.928   4.236  -2.364
   23    HOD  HYP   3           HG2      PRO   3   8.233   5.805  -4.239
   24    HG   HYP   3           HG       PRO   3   7.857   3.785  -5.078
   25    H    CYS   4           H        CYS   4   3.057   4.310  -2.107
   26    HA   CYS   4           HA       CYS   4   1.910   2.221  -0.458
   27   1HB   CYS   4          2HB       CYS   4   0.668   4.214  -1.607
   28   2HB   CYS   4          1HB       CYS   4   0.478   3.050  -3.038
   29    H    CYS   5           H        CYS   5   2.680   1.914  -3.801
   30    HA   CYS   5           HA       CYS   5   1.412  -0.966  -4.064
   31   1HB   CYS   5          1HB       CYS   5   1.087   1.366  -5.598
   32   2HB   CYS   5          2HB       CYS   5   2.505   0.550  -6.467
   33    H    LEU   6           H        LEU   6   4.267  -0.170  -3.828
   34    HA   LEU   6           HA       LEU   6   5.624  -2.008  -5.696
   35   1HB   LEU   6          2HB       LEU   6   6.462   0.215  -4.980
   36   2HB   LEU   6          1HB       LEU   6   6.728  -0.462  -3.354
   37    HG   LEU   6           HG       LEU   6   8.659  -1.713  -4.146
   38   1HD1  LEU   6          2HD2      LEU   6   8.023  -2.087  -6.594
   39   2HD1  LEU   6          3HD2      LEU   6   8.294  -0.364  -6.926
   40   3HD1  LEU   6          1HD2      LEU   6   9.662  -1.416  -6.449
   41   1HD2  LEU   6          2HD1      LEU   6   9.000   0.510  -3.234
   42   2HD2  LEU   6          1HD1      LEU   6  10.212   0.202  -4.488
   43   3HD2  LEU   6          3HD1      LEU   6   8.801   1.252  -4.840
   44    H    TYR   7           H        TYR   7   6.736  -3.784  -5.299
   45    HA   TYR   7           HA       TYR   7   7.474  -5.918  -4.531
   46   1HB   TYR   7          1HB       TYR   7   7.225  -4.654  -1.999
   47   2HB   TYR   7          2HB       TYR   7   7.766  -6.367  -2.067
   48    HD1  TYR   7           HD1      TYR   7   9.922  -6.986  -3.338
   49    HD2  TYR   7           HD2      TYR   7   8.999  -2.916  -2.256
   50    HE1  TYR   7           HE1      TYR   7  12.248  -6.351  -3.635
   51    HE2  TYR   7           HE2      TYR   7  11.331  -2.333  -2.567
   52    HH   TYR   7           HH       TYR   7  13.352  -3.023  -3.103
   53    H    GLY   8           H        GLY   8   4.651  -4.936  -3.923
   54   1HA   GLY   8          2HA       GLY   8   2.455  -5.991  -4.051
   55   2HA   GLY   8          1HA       GLY   8   3.309  -7.587  -4.183
   56    H    LYS   9           H        LYS   9   4.060  -5.648  -1.346
   57    HA   LYS   9           HA       LYS   9   2.438  -7.652   0.433
   58   1HB   LYS   9          1HB       LYS   9   4.969  -7.497   0.735
   59   2HB   LYS   9          2HB       LYS   9   4.781  -5.825   1.250
   60   1HG   LYS   9          1HG       LYS   9   3.302  -6.635   3.165
   61   2HG   LYS   9          2HG       LYS   9   3.515  -8.294   2.616
   62   1HD   LYS   9          2HD       LYS   9   6.030  -8.097   3.016
   63   2HD   LYS   9          1HD       LYS   9   5.807  -6.435   3.569
   64   1HE   LYS   9          1HE       LYS   9   4.363  -7.261   5.485
   65   2HE   LYS   9          2HE       LYS   9   4.588  -8.931   4.930
   66   1HZ   LYS   9          3HZ       LYS   9   6.783  -7.093   5.761
   67   2HZ   LYS   9          1HZ       LYS   9   6.182  -8.347   6.652
   68   3HZ   LYS   9          2HZ       LYS   9   6.992  -8.648   5.244
   69    H    CYS  10           H        CYS  10   0.519  -6.591   1.032
   70    HA   CYS  10           HA       CYS  10  -0.276  -4.142   0.248
   71   1HB   CYS  10          1HB       CYS  10  -1.779  -5.966   0.669
   72   2HB   CYS  10          2HB       CYS  10  -1.502  -5.863   2.424
   73    H    ARG  11           H        ARG  11   1.206  -2.030   1.472
   74    HA   ARG  11           HA       ARG  11   0.363  -1.390   3.929
   75   1HB   ARG  11          2HB       ARG  11   1.646   0.496   3.359
   76   2HB   ARG  11          1HB       ARG  11   2.437  -0.916   3.326
   77   1HG   ARG  11          2HG       ARG  11   1.491   0.382   0.704
   78   2HG   ARG  11          1HG       ARG  11   2.866   1.080   1.526
   79   1HD   ARG  11          2HD       ARG  11   2.754  -1.853   0.521
   80   2HD   ARG  11          1HD       ARG  11   3.515  -0.507  -0.360
   81    HE   ARG  11           HE       ARG  11   4.405  -0.507   2.348
   82   1HH1  ARG  11          1HH1      ARG  11   4.919  -2.728  -0.452
   83   2HH1  ARG  11          2HH1      ARG  11   6.327  -3.531   0.408
   84   1HH2  ARG  11          2HH2      ARG  11   6.129  -1.492   3.167
   85   2HH2  ARG  11          1HH2      ARG  11   6.956  -2.881   2.300
   86    H    ARG  12           H        ARG  12  -1.233  -0.117   4.255
   87    HA   ARG  12           HA       ARG  12  -2.455   1.743   2.473
   88   1HB   ARG  12          1HB       ARG  12  -4.758   1.600   3.335
   89   2HB   ARG  12          2HB       ARG  12  -4.130  -0.003   2.903
   90   1HG   ARG  12          1HG       ARG  12  -3.720  -0.464   5.310
   91   2HG   ARG  12          2HG       ARG  12  -4.384   1.134   5.680
   92   1HD   ARG  12          2HD       ARG  12  -6.197  -0.340   6.154
   93   2HD   ARG  12          1HD       ARG  12  -6.633   0.359   4.599
   94    HE   ARG  12           HE       ARG  12  -5.764  -2.499   5.127
   95   1HH1  ARG  12          1HH1      ARG  12  -6.760  -0.191   2.548
   96   2HH1  ARG  12          2HH1      ARG  12  -7.057  -1.612   1.425
   97   1HH2  ARG  12          1HH2      ARG  12  -6.144  -3.968   3.750
   98   2HH2  ARG  12          2HH2      ARG  12  -6.734  -3.580   2.057
   99    H    TYR  13           H        TYR  13  -0.728   3.068   3.029
  100    HA   TYR  13           HA       TYR  13  -0.428   3.881   5.960
  101   1HB   TYR  13          1HB       TYR  13   2.133   3.880   5.258
  102   2HB   TYR  13          2HB       TYR  13   1.508   2.356   5.062
  103    HD1  TYR  13           HD1      TYR  13   0.512   4.259   2.134
  104    HD2  TYR  13           HD2      TYR  13   4.033   2.630   3.936
  105    HE1  TYR  13           HE1      TYR  13   1.844   5.054   0.276
  106    HE2  TYR  13           HE2      TYR  13   5.334   3.468   2.115
  107    HH   TYR  13           HH       TYR  13   5.301   5.050   0.382
  108    HA   HYP  14           HA       PRO  14   0.961   8.505   5.865
  109   1HB   HYP  14          1HB       PRO  14   2.920   6.613   4.461
  110   2HB   HYP  14          2HB       PRO  14   3.487   8.107   5.214
  111   1HD   HYP  14          1HD       PRO  14   1.472   4.842   6.894
  112   2HD   HYP  14          2HD       PRO  14   0.891   6.310   7.719
  113    HOD  HYP  14           HG2      PRO  14   2.312   8.160   7.646
  114    HG   HYP  14           HG       PRO  14   3.585   5.812   6.669
  115    H    GLY  15           H        GLY  15  -0.719   7.752   3.793
  116   1HA   GLY  15          1HA       GLY  15  -1.868   9.368   2.415
  117   2HA   GLY  15          2HA       GLY  15  -0.132  10.137   2.119
  118    H    CYS  16           H        CYS  16  -1.474   7.011   1.896
  119    HA   CYS  16           HA       CYS  16  -1.000   6.527  -1.164
  120   1HB   CYS  16          1HB       CYS  16  -0.404   4.799   0.381
  121   2HB   CYS  16          2HB       CYS  16  -1.937   4.848   1.358
  122    H    SER  17           H        SER  17  -3.410   7.564   0.976
  123    HA   SER  17           HA       SER  17  -4.660   5.219   0.761
  124   1HB   SER  17          2HB       SER  17  -6.283   5.970   2.515
  125   2HB   SER  17          1HB       SER  17  -4.691   6.641   2.831
  126    HG   SER  17           HG       SER  17  -6.349   8.184   2.970
  127    H    SER  18           H        SER  18  -5.313   7.149  -1.315
  128    HA   SER  18           HA       SER  18  -8.003   6.225  -2.454
  129   1HB   SER  18          2HB       SER  18  -7.367   7.296  -4.540
  130   2HB   SER  18          1HB       SER  18  -6.941   8.410  -3.232
  131    HG   SER  18           HG       SER  18  -4.822   7.638  -3.316
  132    H    ALA  19           H        ALA  19  -4.667   5.642  -3.111
  133    HA   ALA  19           HA       ALA  19  -4.808   3.507  -4.899
  134   1HB   ALA  19          2HB       ALA  19  -2.397   4.157  -3.227
  135   2HB   ALA  19          3HB       ALA  19  -2.427   2.925  -4.497
  136   3HB   ALA  19          1HB       ALA  19  -2.798   4.620  -4.893
  137    H    SER  20           H        SER  20  -6.431   2.254  -3.762
  138    HA   SER  20           HA       SER  20  -6.509   0.162  -1.915
  139   1HB   SER  20          1HB       SER  20  -7.363  -1.306  -3.771
  140   2HB   SER  20          2HB       SER  20  -8.130   0.210  -3.778
  141    HG   SER  20           HG       SER  20  -6.667   0.865  -5.416
  142    H    CYS  21           H        CYS  21  -4.782  -0.173  -4.699
  143    HA   CYS  21           HA       CYS  21  -3.386  -2.262  -5.604
  144   1HB   CYS  21          2HB       CYS  21  -2.172  -0.094  -5.446
  145   2HB   CYS  21          1HB       CYS  21  -1.616  -0.511  -3.801
  146    H    CYS  22           H        CYS  22  -4.783  -3.078  -3.150
  147    HA   CYS  22           HA       CYS  22  -3.113  -5.483  -2.469
  148   1HB   CYS  22          2HB       CYS  22  -5.354  -3.921  -0.997
  149   2HB   CYS  22          1HB       CYS  22  -4.440  -5.477  -0.455
  150    H    GLN  23           H        GLN  23  -6.699  -5.267  -2.769
  151    HA   GLN  23           HA       GLN  23  -7.985  -6.779  -4.349
  152   1HB   GLN  23          1HB       GLN  23  -7.137  -3.958  -4.931
  153   2HB   GLN  23          2HB       GLN  23  -8.810  -4.796  -5.398
  154   1HG   GLN  23          1HG       GLN  23  -7.889  -3.969  -2.606
  155   2HG   GLN  23          2HG       GLN  23  -8.849  -2.965  -3.667
  156   1HE2  GLN  23          1HE2      GLN  23 -11.894  -4.853  -2.993
  157   2HE2  GLN  23          2HE2      GLN  23 -11.075  -3.584  -4.036
  158    H    ARG  24           H        ARG  24  -8.201  -7.262  -6.596
  159    HA   ARG  24           HA       ARG  24  -5.925  -6.759  -8.518
  160   1HB   ARG  24          1HB       ARG  24  -5.381  -8.997  -7.436
  161   2HB   ARG  24          2HB       ARG  24  -6.968  -9.587  -7.937
  162   1HG   ARG  24          1HG       ARG  24  -6.183  -9.222 -10.385
  163   2HG   ARG  24          2HG       ARG  24  -4.635  -8.693  -9.749
  164   1HD   ARG  24          2HD       ARG  24  -4.232 -10.920 -10.382
  165   2HD   ARG  24          1HD       ARG  24  -4.391 -11.051  -8.636
  166    HE   ARG  24           HE       ARG  24  -7.012 -11.557  -9.810
  167   1HH1  ARG  24          1HH2      ARG  24  -3.831 -13.246  -9.745
  168   2HH1  ARG  24          2HH2      ARG  24  -4.700 -14.842 -10.001
  169   1HH2  ARG  24          1HH1      ARG  24  -7.823 -13.417 -10.091
  170   2HH2  ARG  24          2HH1      ARG  24  -6.782 -14.926 -10.181
  171   1HN   NH2  25          1HC       ARG  24  -8.872  -6.119 -10.503
  172   2HN   NH2  25          2HC       ARG  24  -7.187  -5.633  -9.961
   
  No H/Q in entry =         172
  Start of MODEL    2
    1   1H    HIS   1          1H        HIS   1   8.868   6.930   4.412
    2   2H    HIS   1          2H        HIS   1   7.247   6.678   4.611
    3   3H    HIS   1          3H        HIS   1   8.317   6.089   5.723
    4    HA   HIS   1           HA       HIS   1   9.322   4.653   4.154
    5   1HB   HIS   1          1HB       HIS   1   6.208   4.531   4.405
    6   2HB   HIS   1          2HB       HIS   1   7.005   3.109   3.788
    7    HD1  HIS   1           HD1      HIS   1   5.158   3.417   6.525
    8    HD2  HIS   1           HD2      HIS   1   9.358   2.671   6.029
    9    HE1  HIS   1           HE1      HIS   1   6.096   2.181   8.566
   10    HE2  HIS   1           HE2      HIS   1   8.604   1.648   8.360
   11    HA   HYP   2           HA       PRO   2   8.434   5.473  -0.410
   12   1HB   HYP   2          1HB       PRO   2   7.245   2.839  -1.209
   13   2HB   HYP   2          2HB       PRO   2   8.674   3.604  -1.844
   14   1HD   HYP   2          1HD       PRO   2   7.732   2.185   1.640
   15   2HD   HYP   2          2HD       PRO   2   9.401   2.676   2.134
   16    HOD  HYP   2           HG2      PRO   2  10.422   3.947   0.097
   17    HG   HYP   2           HG       PRO   2   9.035   1.495  -0.227
   18    HA   HYP   3           HA       PRO   3   3.517   5.114  -1.278
   19   1HB   HYP   3          1HB       PRO   3   4.428   3.265  -3.447
   20   2HB   HYP   3          2HB       PRO   3   3.077   4.354  -3.345
   21   1HD   HYP   3          1HD       PRO   3   6.877   4.483  -3.214
   22   2HD   HYP   3          2HD       PRO   3   6.898   6.213  -2.625
   23    HOD  HYP   3           HG2      PRO   3   4.224   6.775  -2.634
   24    HG   HYP   3           HG       PRO   3   5.252   5.513  -4.974
   25    H    CYS   4           H        CYS   4   2.038   3.367  -0.731
   26    HA   CYS   4           HA       CYS   4   2.800   0.979   0.497
   27   1HB   CYS   4          1HB       CYS   4   0.131   0.751  -0.654
   28   2HB   CYS   4          2HB       CYS   4   0.481   2.015   0.728
   29    H    CYS   5           H        CYS   5   1.863   1.220  -2.774
   30    HA   CYS   5           HA       CYS   5   1.425  -1.856  -3.185
   31   1HB   CYS   5          1HB       CYS   5   0.557   0.375  -4.661
   32   2HB   CYS   5          2HB       CYS   5   2.008  -0.220  -5.653
   33    H    LEU   6           H        LEU   6   4.049  -0.600  -3.047
   34    HA   LEU   6           HA       LEU   6   5.750  -2.234  -4.879
   35   1HB   LEU   6          2HB       LEU   6   6.191   0.125  -4.191
   36   2HB   LEU   6          1HB       LEU   6   6.473  -0.455  -2.532
   37    HG   LEU   6           HG       LEU   6   8.632  -1.387  -3.165
   38   1HD1  LEU   6          2HD2      LEU   6   8.202  -1.949  -5.615
   39   2HD1  LEU   6          3HD2      LEU   6   8.188  -0.219  -6.013
   40   3HD1  LEU   6          1HD2      LEU   6   9.693  -0.997  -5.426
   41   1HD2  LEU   6          2HD1      LEU   6   8.513   0.927  -2.349
   42   2HD2  LEU   6          3HD1      LEU   6   9.851   0.755  -3.498
   43   3HD2  LEU   6          1HD1      LEU   6   8.320   1.538  -4.005
   44    H    TYR   7           H        TYR   7   7.119  -3.788  -4.321
   45    HA   TYR   7           HA       TYR   7   8.100  -5.763  -3.410
   46   1HB   TYR   7          1HB       TYR   7   7.436  -4.504  -0.952
   47   2HB   TYR   7          2HB       TYR   7   8.220  -6.121  -0.917
   48    HD1  TYR   7           HD1      TYR   7  10.566  -6.442  -1.885
   49    HD2  TYR   7           HD2      TYR   7   8.923  -2.511  -1.226
   50    HE1  TYR   7           HE1      TYR   7  12.783  -5.460  -2.033
   51    HE2  TYR   7           HE2      TYR   7  11.155  -1.579  -1.386
   52    HH   TYR   7           HH       TYR   7  13.301  -1.969  -1.687
   53    H    GLY   8           H        GLY   8   5.123  -5.209  -3.062
   54   1HA   GLY   8          2HA       GLY   8   3.377  -6.645  -3.887
   55   2HA   GLY   8          1HA       GLY   8   4.400  -8.079  -3.472
   56    H    LYS   9           H        LYS   9   3.729  -5.960  -0.798
   57    HA   LYS   9           HA       LYS   9   1.201  -7.643   0.023
   58   1HB   LYS   9          1HB       LYS   9   3.354  -8.493   1.149
   59   2HB   LYS   9          2HB       LYS   9   3.485  -6.952   1.983
   60   1HG   LYS   9          2HG       LYS   9   1.171  -7.405   3.021
   61   2HG   LYS   9          1HG       LYS   9   1.122  -8.917   2.158
   62   1HD   LYS   9          1HD       LYS   9   1.748  -9.658   4.248
   63   2HD   LYS   9          2HD       LYS   9   3.299  -9.642   3.436
   64   1HE   LYS   9          2HE       LYS   9   3.819  -7.409   4.590
   65   2HE   LYS   9          1HE       LYS   9   2.247  -7.492   5.405
   66   1HZ   LYS   9          1HZ       LYS   9   4.420  -9.522   5.661
   67   2HZ   LYS   9          3HZ       LYS   9   4.017  -8.392   6.797
   68   3HZ   LYS   9          2HZ       LYS   9   2.955  -9.601   6.421
   69    H    CYS  10           H        CYS  10  -0.457  -5.991   0.252
   70    HA   CYS  10           HA       CYS  10  -0.064  -3.583  -0.148
   71   1HB   CYS  10          1HB       CYS  10  -2.652  -4.889   0.807
   72   2HB   CYS  10          2HB       CYS  10  -2.197  -3.811  -0.442
   73    H    ARG  11           H        ARG  11   0.643  -1.812   1.863
   74    HA   ARG  11           HA       ARG  11  -0.846  -1.748   4.129
   75   1HB   ARG  11          2HB       ARG  11   1.028  -0.334   4.594
   76   2HB   ARG  11          1HB       ARG  11   1.401  -1.862   4.225
   77   1HG   ARG  11          1HG       ARG  11   1.774   0.409   2.238
   78   2HG   ARG  11          2HG       ARG  11   2.893   0.077   3.547
   79   1HD   ARG  11          1HD       ARG  11   2.381  -2.029   1.361
   80   2HD   ARG  11          2HD       ARG  11   3.713  -0.866   1.327
   81    HE   ARG  11           HE       ARG  11   3.604  -2.018   3.927
   82   1HH1  ARG  11          1HH2      ARG  11   4.684  -3.037   0.624
   83   2HH1  ARG  11          2HH2      ARG  11   5.873  -4.238   1.338
   84   1HH2  ARG  11          2HH1      ARG  11   5.062  -3.488   4.592
   85   2HH2  ARG  11          1HH1      ARG  11   6.067  -4.470   3.412
   86    H    ARG  12           H        ARG  12  -1.715   0.139   4.731
   87    HA   ARG  12           HA       ARG  12  -2.284   2.350   2.939
   88   1HB   ARG  12          1HB       ARG  12  -4.575   2.723   3.807
   89   2HB   ARG  12          2HB       ARG  12  -4.309   1.041   3.281
   90   1HG   ARG  12          2HG       ARG  12  -4.052   0.269   5.498
   91   2HG   ARG  12          1HG       ARG  12  -4.273   1.891   6.175
   92   1HD   ARG  12          1HD       ARG  12  -6.633   1.997   5.589
   93   2HD   ARG  12          2HD       ARG  12  -6.526   0.661   4.430
   94    HE   ARG  12           HE       ARG  12  -5.908  -0.831   6.443
   95   1HH1  ARG  12          1HH2      ARG  12  -8.214   1.909   6.874
   96   2HH1  ARG  12          2HH2      ARG  12  -9.018   1.015   8.260
   97   1HH2  ARG  12          1HH1      ARG  12  -6.933  -1.707   8.046
   98   2HH2  ARG  12          2HH1      ARG  12  -8.346  -0.872   8.867
   99    H    TYR  13           H        TYR  13  -0.146   2.965   3.784
  100    HA   TYR  13           HA       TYR  13  -0.226   4.467   6.424
  101   1HB   TYR  13          1HB       TYR  13   2.462   4.230   6.000
  102   2HB   TYR  13          2HB       TYR  13   1.731   2.755   6.177
  103    HD1  TYR  13           HD1      TYR  13   1.697   4.730   2.826
  104    HD2  TYR  13           HD2      TYR  13   3.767   1.796   5.229
  105    HE1  TYR  13           HE1      TYR  13   3.233   4.325   1.053
  106    HE2  TYR  13           HE2      TYR  13   5.215   1.374   3.388
  107    HH   TYR  13           HH       TYR  13   5.262   3.281   0.506
  108    HA   HYP  14           HA       PRO  14   2.210   8.741   5.651
  109   1HB   HYP  14          1HB       PRO  14   3.567   6.088   4.947
  110   2HB   HYP  14          2HB       PRO  14   4.536   7.500   5.336
  111   1HD   HYP  14          1HD       PRO  14   1.666   5.437   7.488
  112   2HD   HYP  14          2HD       PRO  14   1.401   7.157   7.932
  113    HOD  HYP  14           HG2      PRO  14   3.267   8.564   7.535
  114    HG   HYP  14           HG       PRO  14   3.928   5.803   7.367
  115    H    GLY  15           H        GLY  15   0.462   8.041   3.699
  116   1HA   GLY  15          1HA       GLY  15  -0.101   9.596   1.914
  117   2HA   GLY  15          2HA       GLY  15   1.783   9.598   1.534
  118    H    CYS  16           H        CYS  16  -0.623   7.204   2.024
  119    HA   CYS  16           HA       CYS  16  -0.300   5.904  -0.814
  120   1HB   CYS  16          1HB       CYS  16   0.346   4.469   1.077
  121   2HB   CYS  16          2HB       CYS  16  -1.116   4.845   2.063
  122    H    SER  17           H        SER  17  -2.636   7.396   1.323
  123    HA   SER  17           HA       SER  17  -3.832   5.051   1.468
  124   1HB   SER  17          2HB       SER  17  -3.637   6.784   3.262
  125   2HB   SER  17          1HB       SER  17  -4.916   7.742   2.505
  126    HG   SER  17           HG       SER  17  -5.139   5.091   3.516
  127    H    SER  18           H        SER  18  -4.605   6.619  -0.857
  128    HA   SER  18           HA       SER  18  -7.516   5.816  -1.459
  129   1HB   SER  18          1HB       SER  18  -5.348   6.932  -3.346
  130   2HB   SER  18          2HB       SER  18  -7.010   6.567  -3.827
  131    HG   SER  18           HG       SER  18  -6.234   8.371  -1.783
  132    H    ALA  19           H        ALA  19  -4.483   4.278  -1.542
  133    HA   ALA  19           HA       ALA  19  -4.335   2.832  -3.821
  134   1HB   ALA  19          3HB       ALA  19  -2.496   3.045  -2.264
  135   2HB   ALA  19          2HB       ALA  19  -3.231   1.917  -1.119
  136   3HB   ALA  19          1HB       ALA  19  -2.668   1.334  -2.692
  137    H    SER  20           H        SER  20  -6.630   2.151  -4.028
  138    HA   SER  20           HA       SER  20  -7.609  -0.465  -3.733
  139   1HB   SER  20          1HB       SER  20  -7.870  -0.695  -6.103
  140   2HB   SER  20          2HB       SER  20  -8.369   0.899  -5.636
  141    HG   SER  20           HG       SER  20  -7.120   0.958  -7.484
  142    H    CYS  21           H        CYS  21  -4.946   0.190  -5.525
  143    HA   CYS  21           HA       CYS  21  -4.031  -1.952  -6.991
  144   1HB   CYS  21          1HB       CYS  21  -2.860   0.142  -7.147
  145   2HB   CYS  21          2HB       CYS  21  -2.237   0.066  -5.484
  146    H    CYS  22           H        CYS  22  -4.514  -2.757  -4.050
  147    HA   CYS  22           HA       CYS  22  -2.811  -5.263  -3.976
  148   1HB   CYS  22          1HB       CYS  22  -3.714  -4.083  -1.920
  149   2HB   CYS  22          2HB       CYS  22  -5.375  -4.565  -2.377
  150    H    GLN  23           H        GLN  23  -6.314  -4.707  -4.658
  151    HA   GLN  23           HA       GLN  23  -7.395  -6.351  -6.416
  152   1HB   GLN  23          1HB       GLN  23  -6.899  -3.379  -6.691
  153   2HB   GLN  23          2HB       GLN  23  -8.408  -4.378  -7.338
  154   1HG   GLN  23          2HG       GLN  23  -7.830  -3.951  -4.348
  155   2HG   GLN  23          1HG       GLN  23  -8.505  -2.686  -5.277
  156   1HE2  GLN  23          1HE2      GLN  23 -10.888  -5.942  -4.329
  157   2HE2  GLN  23          2HE2      GLN  23  -9.075  -5.936  -4.047
  158    H    ARG  24           H        ARG  24  -7.365  -6.585  -8.729
  159    HA   ARG  24           HA       ARG  24  -4.980  -5.616 -10.325
  160   1HB   ARG  24          1HB       ARG  24  -4.280  -7.870  -9.444
  161   2HB   ARG  24          2HB       ARG  24  -5.733  -8.583 -10.154
  162   1HG   ARG  24          2HG       ARG  24  -4.835  -7.922 -12.443
  163   2HG   ARG  24          1HG       ARG  24  -3.405  -7.231 -11.696
  164   1HD   ARG  24          1HD       ARG  24  -4.167 -10.226 -11.406
  165   2HD   ARG  24          2HD       ARG  24  -3.218  -9.592 -12.742
  166    HE   ARG  24           HE       ARG  24  -1.941  -8.756 -10.253
  167   1HH1  ARG  24          2HH1      ARG  24  -2.284 -11.752 -12.225
  168   2HH1  ARG  24          1HH1      ARG  24  -0.713 -12.374 -11.510
  169   1HH2  ARG  24          1HH2      ARG  24  -0.208  -9.597  -9.554
  170   2HH2  ARG  24          2HH2      ARG  24   0.366 -11.246 -10.117
  171   1HN   NH2  25          1HC       ARG  24  -8.533  -6.567 -12.265
  172   2HN   NH2  25          2HC       ARG  24  -7.923  -7.755 -11.007
   
  No H/Q in entry =         172
  Start of MODEL    3
    1   1H    HIS   1          2H        HIS   1   9.612   6.363   4.600
    2   2H    HIS   1          1H        HIS   1   7.960   6.363   4.613
    3   3H    HIS   1          3H        HIS   1   8.796   5.767   5.907
    4    HA   HIS   1           HA       HIS   1   9.741   4.030   4.634
    5   1HB   HIS   1          1HB       HIS   1   6.636   4.379   4.526
    6   2HB   HIS   1          2HB       HIS   1   7.261   2.802   4.126
    7    HD1  HIS   1           HD1      HIS   1   5.226   3.615   6.594
    8    HD2  HIS   1           HD2      HIS   1   9.307   2.286   6.651
    9    HE1  HIS   1           HE1      HIS   1   5.767   2.482   8.828
   10    HE2  HIS   1           HE2      HIS   1   8.183   1.609   8.958
   11    HA   HYP   2           HA       PRO   2   9.536   4.365  -0.074
   12   1HB   HYP   2          1HB       PRO   2   7.929   1.891  -0.674
   13   2HB   HYP   2          2HB       PRO   2   9.510   2.316  -1.277
   14   1HD   HYP   2          1HD       PRO   2   8.057   1.530   2.222
   15   2HD   HYP   2          2HD       PRO   2   9.727   1.833   2.849
   16    HOD  HYP   2           HG2      PRO   2  11.130   2.671   0.808
   17    HG   HYP   2           HG       PRO   2   9.412   0.423   0.610
   18    HA   HYP   3           HA       PRO   3   4.751   4.824  -1.397
   19   1HB   HYP   3          1HB       PRO   3   5.373   2.494  -3.181
   20   2HB   HYP   3          2HB       PRO   3   4.271   3.834  -3.364
   21   1HD   HYP   3          1HD       PRO   3   7.999   3.238  -2.936
   22   2HD   HYP   3          2HD       PRO   3   8.309   5.005  -2.569
   23    HOD  HYP   3           HG2      PRO   3   6.816   6.338  -4.086
   24    HG   HYP   3           HG       PRO   3   6.705   4.284  -4.932
   25    H    CYS   4           H        CYS   4   2.824   3.720  -0.763
   26    HA   CYS   4           HA       CYS   4   2.375   1.510   0.878
   27   1HB   CYS   4          1HB       CYS   4   0.545   2.643  -1.443
   28   2HB   CYS   4          2HB       CYS   4   0.265   2.791   0.372
   29    H    CYS   5           H        CYS   5   2.502   1.376  -2.563
   30    HA   CYS   5           HA       CYS   5   0.890  -1.346  -2.781
   31   1HB   CYS   5          1HB       CYS   5   0.885   0.923  -4.382
   32   2HB   CYS   5          2HB       CYS   5   2.262  -0.054  -5.154
   33    H    LEU   6           H        LEU   6   3.646  -1.039  -2.224
   34    HA   LEU   6           HA       LEU   6   5.486  -2.581  -3.742
   35   1HB   LEU   6          1HB       LEU   6   6.077  -1.305  -1.939
   36   2HB   LEU   6          2HB       LEU   6   5.288  -2.301  -0.690
   37    HG   LEU   6           HG       LEU   6   7.952  -2.803  -2.133
   38   1HD1  LEU   6          2HD1      LEU   6   8.074  -0.882  -0.641
   39   2HD1  LEU   6          1HD1      LEU   6   7.426  -1.826   0.715
   40   3HD1  LEU   6          3HD1      LEU   6   9.032  -2.216   0.023
   41   1HD2  LEU   6          2HD2      LEU   6   6.665  -4.349   0.244
   42   2HD2  LEU   6          3HD2      LEU   6   6.873  -5.001  -1.391
   43   3HD2  LEU   6          1HD2      LEU   6   8.309  -4.665  -0.409
   44    H    TYR   7           H        TYR   7   6.218  -4.650  -3.807
   45    HA   TYR   7           HA       TYR   7   4.536  -6.610  -4.570
   46   1HB   TYR   7          1HB       TYR   7   6.654  -7.902  -4.690
   47   2HB   TYR   7          2HB       TYR   7   6.762  -6.315  -5.436
   48    HD1  TYR   7           HD1      TYR   7   7.951  -8.476  -2.602
   49    HD2  TYR   7           HD2      TYR   7   8.238  -4.550  -4.351
   50    HE1  TYR   7           HE1      TYR   7   9.966  -8.024  -1.316
   51    HE2  TYR   7           HE2      TYR   7  10.246  -4.148  -3.055
   52    HH   TYR   7           HH       TYR   7  11.680  -4.930  -1.580
   53    H    GLY   8           H        GLY   8   6.009  -6.542  -1.793
   54   1HA   GLY   8          1HA       GLY   8   5.327  -9.284  -0.847
   55   2HA   GLY   8          2HA       GLY   8   6.404  -8.141   0.040
   56    H    LYS   9           H        LYS   9   4.172  -6.042   0.266
   57    HA   LYS   9           HA       LYS   9   1.792  -7.478   1.624
   58   1HB   LYS   9          1HB       LYS   9   3.619  -7.326   3.435
   59   2HB   LYS   9          2HB       LYS   9   3.476  -5.577   3.398
   60   1HG   LYS   9          2HG       LYS   9   1.011  -5.818   4.012
   61   2HG   LYS   9          1HG       LYS   9   1.189  -7.564   4.040
   62   1HD   LYS   9          2HD       LYS   9   2.881  -7.368   5.913
   63   2HD   LYS   9          1HD       LYS   9   2.733  -5.618   5.902
   64   1HE   LYS   9          2HE       LYS   9   0.335  -7.496   6.500
   65   2HE   LYS   9          1HE       LYS   9   1.470  -6.948   7.722
   66   1HZ   LYS   9          2HZ       LYS   9   0.864  -4.646   7.245
   67   2HZ   LYS   9          1HZ       LYS   9  -0.209  -5.122   6.083
   68   3HZ   LYS   9          3HZ       LYS   9  -0.468  -5.530   7.663
   69    H    CYS  10           H        CYS  10   0.198  -6.054   0.631
   70    HA   CYS  10           HA       CYS  10   0.284  -3.342   0.211
   71   1HB   CYS  10          2HB       CYS  10  -1.095  -4.565  -0.924
   72   2HB   CYS  10          1HB       CYS  10  -2.068  -5.222   0.299
   73    H    ARG  11           H        ARG  11   1.474  -2.450   2.581
   74    HA   ARG  11           HA       ARG  11   0.008  -1.432   4.564
   75   1HB   ARG  11          2HB       ARG  11   1.738   0.229   4.206
   76   2HB   ARG  11          1HB       ARG  11   2.190  -1.326   4.645
   77   1HG   ARG  11          2HG       ARG  11   2.362  -0.804   1.652
   78   2HG   ARG  11          1HG       ARG  11   3.320   0.297   2.526
   79   1HD   ARG  11          2HD       ARG  11   3.584  -2.777   2.606
   80   2HD   ARG  11          1HD       ARG  11   4.588  -1.685   1.622
   81    HE   ARG  11           HE       ARG  11   4.421  -1.001   4.449
   82   1HH1  ARG  11          2HH2      ARG  11   6.354  -3.087   2.222
   83   2HH1  ARG  11          1HH2      ARG  11   7.712  -3.210   3.450
   84   1HH2  ARG  11          2HH1      ARG  11   6.142  -1.210   5.759
   85   2HH2  ARG  11          1HH1      ARG  11   7.597  -2.228   5.296
   86    H    ARG  12           H        ARG  12  -1.274   0.182   4.456
   87    HA   ARG  12           HA       ARG  12  -1.601   2.084   2.297
   88   1HB   ARG  12          1HB       ARG  12  -4.039   2.406   2.740
   89   2HB   ARG  12          2HB       ARG  12  -3.572   0.725   2.431
   90   1HG   ARG  12          1HG       ARG  12  -3.662   0.260   4.840
   91   2HG   ARG  12          2HG       ARG  12  -4.155   1.925   5.167
   92   1HD   ARG  12          1HD       ARG  12  -5.839   0.022   3.387
   93   2HD   ARG  12          2HD       ARG  12  -5.985   0.026   5.136
   94    HE   ARG  12           HE       ARG  12  -6.727   2.358   3.324
   95   1HH1  ARG  12          2HH2      ARG  12  -6.939   1.008   6.656
   96   2HH1  ARG  12          1HH2      ARG  12  -8.150   2.318   7.085
   97   1HH2  ARG  12          1HH1      ARG  12  -8.099   3.741   3.960
   98   2HH2  ARG  12          2HH1      ARG  12  -8.752   3.742   5.675
   99    H    TYR  13           H        TYR  13   0.207   3.340   3.130
  100    HA   TYR  13           HA       TYR  13  -0.279   4.634   5.871
  101   1HB   TYR  13          1HB       TYR  13   2.477   4.705   5.657
  102   2HB   TYR  13          2HB       TYR  13   1.819   3.178   5.901
  103    HD1  TYR  13           HD1      TYR  13   2.643   5.404   2.876
  104    HD2  TYR  13           HD2      TYR  13   3.423   1.729   4.992
  105    HE1  TYR  13           HE1      TYR  13   4.399   4.883   1.319
  106    HE2  TYR  13           HE2      TYR  13   5.291   1.347   3.499
  107    HH   TYR  13           HH       TYR  13   6.171   3.370   0.923
  108    HA   HYP  14           HA       PRO  14   1.729   9.137   5.042
  109   1HB   HYP  14          1HB       PRO  14   3.504   6.623   4.568
  110   2HB   HYP  14          2HB       PRO  14   4.197   8.185   4.814
  111   1HD   HYP  14          1HD       PRO  14   1.541   5.905   7.044
  112   2HD   HYP  14          2HD       PRO  14   1.086   7.599   7.400
  113    HOD  HYP  14           HG2      PRO  14   3.161   8.363   8.207
  114    HG   HYP  14           HG       PRO  14   3.770   6.560   6.945
  115    H    GLY  15           H        GLY  15   0.596   7.252   2.471
  116   1HA   GLY  15          2HA       GLY  15   0.768   9.628   0.838
  117   2HA   GLY  15          1HA       GLY  15   1.919   8.114   0.411
  118    H    CYS  16           H        CYS  16  -1.224   7.172   1.491
  119    HA   CYS  16           HA       CYS  16  -1.661   5.755  -1.071
  120   1HB   CYS  16          1HB       CYS  16  -1.783   4.126   1.508
  121   2HB   CYS  16          2HB       CYS  16  -0.994   4.483   0.345
  122    H    SER  17           H        SER  17  -3.428   7.072   1.841
  123    HA   SER  17           HA       SER  17  -3.838   4.434   1.743
  124   1HB   SER  17          1HB       SER  17  -3.757   5.823   3.900
  125   2HB   SER  17          2HB       SER  17  -5.450   6.292   3.661
  126    HG   SER  17           HG       SER  17  -5.969   4.062   3.820
  127    H    SER  18           H        SER  18  -5.767   6.008   0.226
  128    HA   SER  18           HA       SER  18  -8.215   4.173  -0.082
  129   1HB   SER  18          1HB       SER  18  -7.203   6.461  -1.880
  130   2HB   SER  18          2HB       SER  18  -8.676   5.530  -2.169
  131    HG   SER  18           HG       SER  18  -8.109   7.041   0.160
  132    H    ALA  19           H        ALA  19  -4.954   4.022  -1.007
  133    HA   ALA  19           HA       ALA  19  -4.837   3.560  -3.676
  134   1HB   ALA  19          2HB       ALA  19  -2.905   4.037  -2.232
  135   2HB   ALA  19          3HB       ALA  19  -2.945   2.376  -1.573
  136   3HB   ALA  19          1HB       ALA  19  -2.555   2.644  -3.283
  137    H    SER  20           H        SER  20  -6.733   2.058  -3.581
  138    HA   SER  20           HA       SER  20  -6.546  -0.745  -3.913
  139   1HB   SER  20          1HB       SER  20  -8.534   0.143  -4.011
  140   2HB   SER  20          2HB       SER  20  -8.301   1.080  -5.598
  141    HG   SER  20           HG       SER  20  -8.263  -0.977  -6.560
  142    H    CYS  21           H        CYS  21  -5.008   1.008  -5.841
  143    HA   CYS  21           HA       CYS  21  -3.556  -0.563  -7.792
  144   1HB   CYS  21          1HB       CYS  21  -2.521   1.320  -6.764
  145   2HB   CYS  21          2HB       CYS  21  -2.410   0.499  -5.189
  146    H    CYS  22           H        CYS  22  -4.171  -1.699  -4.390
  147    HA   CYS  22           HA       CYS  22  -2.863  -4.379  -4.861
  148   1HB   CYS  22          1HB       CYS  22  -2.316  -4.303  -2.664
  149   2HB   CYS  22          2HB       CYS  22  -2.483  -2.462  -2.930
  150    H    GLN  23           H        GLN  23  -5.761  -3.484  -3.014
  151    HA   GLN  23           HA       GLN  23  -7.684  -5.244  -2.910
  152   1HB   GLN  23          1HB       GLN  23  -7.755  -2.545  -4.205
  153   2HB   GLN  23          2HB       GLN  23  -9.161  -3.355  -3.158
  154   1HG   GLN  23          1HG       GLN  23  -6.473  -2.334  -2.047
  155   2HG   GLN  23          2HG       GLN  23  -7.854  -1.324  -2.199
  156   1HE2  GLN  23          1HE2      GLN  23  -9.500  -2.851   0.692
  157   2HE2  GLN  23          2HE2      GLN  23  -9.656  -1.719  -0.743
  158    H    ARG  24           H        ARG  24  -9.491  -5.960  -4.202
  159    HA   ARG  24           HA       ARG  24  -9.339  -5.818  -7.220
  160   1HB   ARG  24          2HB       ARG  24  -9.400  -8.454  -5.553
  161   2HB   ARG  24          1HB       ARG  24 -10.087  -8.336  -7.126
  162   1HG   ARG  24          1HG       ARG  24  -7.895  -7.691  -8.126
  163   2HG   ARG  24          2HG       ARG  24  -7.130  -7.741  -6.546
  164   1HD   ARG  24          1HD       ARG  24  -8.469 -10.223  -7.828
  165   2HD   ARG  24          2HD       ARG  24  -6.803  -9.764  -8.132
  166    HE   ARG  24           HE       ARG  24  -7.876 -10.830  -5.515
  167   1HH1  ARG  24          2HH1      ARG  24  -4.923  -9.642  -7.197
  168   2HH1  ARG  24          1HH1      ARG  24  -3.896 -10.382  -5.868
  169   1HH2  ARG  24          2HH2      ARG  24  -6.589 -11.596  -4.117
  170   2HH2  ARG  24          1HH2      ARG  24  -4.771 -11.401  -4.262
  171   1HN   NH2  25          1HC       ARG  24 -11.309  -4.970  -7.693
  172   2HN   NH2  25          2HC       ARG  24 -12.857  -5.284  -6.760
   
  No H/Q in entry =         172
  Start of MODEL    4
    1   1H    HIS   1          2H        HIS   1   9.308   5.941   4.194
    2   2H    HIS   1          3H        HIS   1   7.657   5.988   4.243
    3   3H    HIS   1          1H        HIS   1   8.517   5.702   5.625
    4    HA   HIS   1           HA       HIS   1   9.393   3.645   4.746
    5   1HB   HIS   1          2HB       HIS   1   6.313   3.709   4.387
    6   2HB   HIS   1          1HB       HIS   1   7.059   2.322   5.048
    7    HD1  HIS   1           HD1      HIS   1   4.886   2.637   6.624
    8    HD2  HIS   1           HD2      HIS   1   8.439   4.891   7.412
    9    HE1  HIS   1           HE1      HIS   1   4.903   3.454   9.075
   10    HE2  HIS   1           HE2      HIS   1   7.023   4.797   9.659
   11    HA   HYP   2           HA       PRO   2   9.392   2.802   0.235
   12   1HB   HYP   2          1HB       PRO   2   7.080   1.002  -0.293
   13   2HB   HYP   2          2HB       PRO   2   8.769   0.664  -0.522
   14   1HD   HYP   2          1HD       PRO   2   6.840   1.358   2.879
   15   2HD   HYP   2          2HD       PRO   2   8.522   1.099   3.485
   16    HOD  HYP   2           HG2      PRO   2   9.713  -0.752   0.924
   17    HG   HYP   2           HG       PRO   2   7.538  -0.525   1.557
   18    HA   HYP   3           HA       PRO   3   5.383   4.507  -2.294
   19   1HB   HYP   3          1HB       PRO   3   5.655   1.703  -3.369
   20   2HB   HYP   3          2HB       PRO   3   5.067   3.137  -4.187
   21   1HD   HYP   3          1HD       PRO   3   8.228   1.795  -2.546
   22   2HD   HYP   3          2HD       PRO   3   8.988   3.443  -2.368
   23    HOD  HYP   3           HG2      PRO   3   6.908   4.671  -5.120
   24    HG   HYP   3           HG       PRO   3   7.827   2.629  -4.956
   25    H    CYS   4           H        CYS   4   3.127   4.017  -2.104
   26    HA   CYS   4           HA       CYS   4   1.807   2.374  -0.108
   27   1HB   CYS   4          2HB       CYS   4   0.729   4.198  -1.576
   28   2HB   CYS   4          1HB       CYS   4   0.562   2.875  -2.871
   29    H    CYS   5           H        CYS   5   2.570   1.361  -3.339
   30    HA   CYS   5           HA       CYS   5   1.400  -1.549  -2.881
   31   1HB   CYS   5          1HB       CYS   5   0.657   0.461  -4.695
   32   2HB   CYS   5          2HB       CYS   5   1.955  -0.445  -5.658
   33    H    LEU   6           H        LEU   6   4.207  -0.550  -3.295
   34    HA   LEU   6           HA       LEU   6   5.351  -2.754  -4.990
   35   1HB   LEU   6          1HB       LEU   6   5.937  -0.061  -4.866
   36   2HB   LEU   6          2HB       LEU   6   6.909  -0.556  -3.570
   37    HG   LEU   6           HG       LEU   6   8.126  -0.206  -5.519
   38   1HD1  LEU   6          2HD2      LEU   6   9.090  -2.050  -4.416
   39   2HD1  LEU   6          1HD2      LEU   6   8.357  -3.149  -5.604
   40   3HD1  LEU   6          3HD2      LEU   6   9.558  -1.911  -6.133
   41   1HD2  LEU   6          1HD1      LEU   6   6.286  -0.364  -7.272
   42   2HD2  LEU   6          2HD1      LEU   6   7.838  -0.994  -7.849
   43   3HD2  LEU   6          3HD1      LEU   6   6.558  -2.123  -7.325
   44    H    TYR   7           H        TYR   7   7.411  -3.450  -4.229
   45    HA   TYR   7           HA       TYR   7   8.767  -5.106  -3.114
   46   1HB   TYR   7          1HB       TYR   7   7.729  -3.669  -0.871
   47   2HB   TYR   7          2HB       TYR   7   9.015  -4.893  -0.634
   48    HD1  TYR   7           HD1      TYR   7  11.290  -4.597  -1.797
   49    HD2  TYR   7           HD2      TYR   7   8.433  -1.373  -1.646
   50    HE1  TYR   7           HE1      TYR   7  13.045  -2.988  -2.299
   51    HE2  TYR   7           HE2      TYR   7  10.217   0.186  -2.173
   52    HH   TYR   7           HH       TYR   7  12.350   0.476  -2.602
   53    H    GLY   8           H        GLY   8   5.808  -5.345  -2.855
   54   1HA   GLY   8          2HA       GLY   8   4.729  -7.393  -3.482
   55   2HA   GLY   8          1HA       GLY   8   5.838  -8.331  -2.394
   56    H    LYS   9           H        LYS   9   4.487  -5.997  -0.546
   57    HA   LYS   9           HA       LYS   9   1.793  -7.481   0.071
   58   1HB   LYS   9          1HB       LYS   9   3.678  -8.393   1.593
   59   2HB   LYS   9          2HB       LYS   9   3.800  -6.803   2.327
   60   1HG   LYS   9          1HG       LYS   9   1.320  -7.023   3.009
   61   2HG   LYS   9          2HG       LYS   9   1.303  -8.599   2.263
   62   1HD   LYS   9          1HD       LYS   9   1.539  -9.191   4.474
   63   2HD   LYS   9          2HD       LYS   9   3.194  -9.336   3.923
   64   1HE   LYS   9          1HE       LYS   9   3.688  -7.048   4.976
   65   2HE   LYS   9          2HE       LYS   9   2.007  -6.968   5.533
   66   1HZ   LYS   9          3HZ       LYS   9   3.962  -9.096   6.283
   67   2HZ   LYS   9          2HZ       LYS   9   3.471  -7.852   7.253
   68   3HZ   LYS   9          1HZ       LYS   9   2.395  -9.022   6.802
   69    H    CYS  10           H        CYS  10   0.219  -5.692   0.016
   70    HA   CYS  10           HA       CYS  10   0.828  -3.355  -0.506
   71   1HB   CYS  10          1HB       CYS  10  -1.901  -4.320   0.408
   72   2HB   CYS  10          2HB       CYS  10  -1.305  -3.482  -0.990
   73    H    ARG  11           H        ARG  11   1.868  -1.737   1.500
   74    HA   ARG  11           HA       ARG  11   0.608  -1.293   3.747
   75   1HB   ARG  11          2HB       ARG  11   1.997   0.663   3.624
   76   2HB   ARG  11          1HB       ARG  11   2.695  -0.770   3.682
   77   1HG   ARG  11          2HG       ARG  11   2.531   0.682   1.004
   78   2HG   ARG  11          1HG       ARG  11   3.744   1.140   2.164
   79   1HD   ARG  11          2HD       ARG  11   3.511  -1.697   0.966
   80   2HD   ARG  11          1HD       ARG  11   4.629  -0.437   0.392
   81    HE   ARG  11           HE       ARG  11   4.855  -0.581   3.201
   82   1HH1  ARG  11          2HH2      ARG  11   5.502  -3.034   0.633
   83   2HH1  ARG  11          1HH2      ARG  11   6.473  -4.051   1.812
   84   1HH2  ARG  11          1HH1      ARG  11   6.123  -1.824   4.406
   85   2HH2  ARG  11          2HH1      ARG  11   6.796  -3.414   3.783
   86    H    ARG  12           H        ARG  12  -0.998  -0.073   4.043
   87    HA   ARG  12           HA       ARG  12  -2.124   1.968   2.359
   88   1HB   ARG  12          1HB       ARG  12  -4.430   1.743   3.222
   89   2HB   ARG  12          2HB       ARG  12  -3.776   0.222   2.584
   90   1HG   ARG  12          1HG       ARG  12  -3.366  -0.560   4.868
   91   2HG   ARG  12          2HG       ARG  12  -4.025   0.945   5.523
   92   1HD   ARG  12          2HD       ARG  12  -5.709  -0.986   3.774
   93   2HD   ARG  12          1HD       ARG  12  -5.582  -1.156   5.522
   94    HE   ARG  12           HE       ARG  12  -6.434   1.580   4.856
   95   1HH1  ARG  12          1HH2      ARG  12  -7.822  -1.729   5.176
   96   2HH1  ARG  12          2HH2      ARG  12  -9.468  -0.982   5.492
   97   1HH2  ARG  12          1HH1      ARG  12  -8.336   2.249   5.224
   98   2HH2  ARG  12          2HH1      ARG  12  -9.731   1.093   5.516
   99    H    TYR  13           H        TYR  13  -0.412   3.251   3.083
  100    HA   TYR  13           HA       TYR  13  -0.349   4.053   6.030
  101   1HB   TYR  13          1HB       TYR  13   2.256   4.266   5.389
  102   2HB   TYR  13          2HB       TYR  13   1.747   2.702   5.206
  103    HD1  TYR  13           HD1      TYR  13   0.705   4.665   2.270
  104    HD2  TYR  13           HD2      TYR  13   4.198   2.996   4.109
  105    HE1  TYR  13           HE1      TYR  13   2.001   5.177   0.304
  106    HE2  TYR  13           HE2      TYR  13   5.474   3.574   2.184
  107    HH   TYR  13           HH       TYR  13   5.461   4.937   0.250
  108    HA   HYP  14           HA       PRO  14   1.044   8.777   5.927
  109   1HB   HYP  14          1HB       PRO  14   2.921   6.788   4.546
  110   2HB   HYP  14          2HB       PRO  14   3.546   8.291   5.220
  111   1HD   HYP  14          1HD       PRO  14   1.490   5.144   7.047
  112   2HD   HYP  14          2HD       PRO  14   0.935   6.651   7.844
  113    HOD  HYP  14           HG2      PRO  14   2.394   8.474   7.674
  114    HG   HYP  14           HG       PRO  14   3.605   6.061   6.780
  115    H    GLY  15           H        GLY  15  -0.694   8.013   3.963
  116   1HA   GLY  15          1HA       GLY  15  -1.884   9.573   2.561
  117   2HA   GLY  15          2HA       GLY  15  -0.170  10.391   2.255
  118    H    CYS  16           H        CYS  16  -1.285   7.192   2.021
  119    HA   CYS  16           HA       CYS  16  -1.009   6.778  -1.071
  120   1HB   CYS  16          1HB       CYS  16  -0.254   5.015   0.408
  121   2HB   CYS  16          2HB       CYS  16  -1.707   5.036   1.489
  122    H    SER  17           H        SER  17  -3.315   7.694   1.186
  123    HA   SER  17           HA       SER  17  -4.451   5.287   1.123
  124   1HB   SER  17          1HB       SER  17  -4.408   6.804   3.150
  125   2HB   SER  17          2HB       SER  17  -5.753   7.740   2.472
  126    HG   SER  17           HG       SER  17  -6.381   6.187   4.000
  127    H    SER  18           H        SER  18  -5.358   7.094  -0.976
  128    HA   SER  18           HA       SER  18  -8.043   5.860  -1.813
  129   1HB   SER  18          1HB       SER  18  -6.088   7.563  -3.464
  130   2HB   SER  18          2HB       SER  18  -7.572   6.834  -4.095
  131    HG   SER  18           HG       SER  18  -7.874   8.936  -3.350
  132    H    ALA  19           H        ALA  19  -4.571   5.311  -2.577
  133    HA   ALA  19           HA       ALA  19  -4.897   3.493  -4.621
  134   1HB   ALA  19          1HB       ALA  19  -2.737   4.606  -4.039
  135   2HB   ALA  19          2HB       ALA  19  -2.377   3.170  -3.026
  136   3HB   ALA  19          3HB       ALA  19  -2.713   2.960  -4.724
  137    H    SER  20           H        SER  20  -6.606   2.197  -3.613
  138    HA   SER  20           HA       SER  20  -6.644  -0.195  -2.152
  139   1HB   SER  20          1HB       SER  20  -7.898  -1.218  -4.068
  140   2HB   SER  20          2HB       SER  20  -8.473   0.335  -3.702
  141    HG   SER  20           HG       SER  20  -8.221   0.025  -5.892
  142    H    CYS  21           H        CYS  21  -5.286  -0.060  -5.119
  143    HA   CYS  21           HA       CYS  21  -4.165  -2.013  -6.621
  144   1HB   CYS  21          1HB       CYS  21  -3.074   0.066  -6.642
  145   2HB   CYS  21          2HB       CYS  21  -2.470  -0.070  -4.985
  146    H    CYS  22           H        CYS  22  -4.937  -3.191  -4.066
  147    HA   CYS  22           HA       CYS  22  -3.004  -5.621  -4.108
  148   1HB   CYS  22          1HB       CYS  22  -3.250  -4.047  -2.257
  149   2HB   CYS  22          2HB       CYS  22  -4.943  -4.581  -1.940
  150    H    GLN  23           H        GLN  23  -6.259  -5.339  -4.849
  151    HA   GLN  23           HA       GLN  23  -6.748  -4.973  -2.444
  152   1HB   GLN  23          1HB       GLN  23  -8.726  -4.106  -4.438
  153   2HB   GLN  23          2HB       GLN  23  -7.509  -3.096  -3.372
  154   1HG   GLN  23          2HG       GLN  23  -6.324  -2.972  -5.485
  155   2HG   GLN  23          1HG       GLN  23  -7.053  -4.423  -6.136
  156   1HE2  GLN  23          1HE2      GLN  23  -8.414  -1.741  -8.209
  157   2HE2  GLN  23          2HE2      GLN  23  -6.890  -2.724  -7.926
  158    H    ARG  24           H        ARG  24  -8.628  -4.996  -1.147
  159    HA   ARG  24           HA       ARG  24 -10.161  -6.100   0.103
  160   1HB   ARG  24          2HB       ARG  24 -11.504  -5.004  -1.794
  161   2HB   ARG  24          1HB       ARG  24 -11.639  -6.590  -2.516
  162   1HG   ARG  24          2HG       ARG  24 -13.706  -6.341  -1.442
  163   2HG   ARG  24          1HG       ARG  24 -12.817  -7.369  -0.343
  164   1HD   ARG  24          1HD       ARG  24 -13.958  -5.861   1.078
  165   2HD   ARG  24          2HD       ARG  24 -12.308  -5.235   1.074
  166    HE   ARG  24           HE       ARG  24 -13.834  -3.859  -1.011
  167   1HH1  ARG  24          1HH1      ARG  24 -13.712  -3.872   2.589
  168   2HH1  ARG  24          2HH1      ARG  24 -14.373  -2.161   2.594
  169   1HH2  ARG  24          1HH2      ARG  24 -14.565  -1.953  -0.828
  170   2HH2  ARG  24          2HH2      ARG  24 -14.817  -1.165   0.809
  171   1HN   NH2  25          1HC       ARG  24  -9.690  -9.892  -1.465
  172   2HN   NH2  25          2HC       ARG  24  -9.877  -8.507  -2.654
   
  No H/Q in entry =         172
  Start of MODEL    5
    1   1H    HIS   1          2H        HIS   1   9.146   6.162   4.951
    2   2H    HIS   1          1H        HIS   1   7.497   6.134   4.849
    3   3H    HIS   1          3H        HIS   1   8.260   5.362   6.094
    4    HA   HIS   1           HA       HIS   1   9.331   3.855   4.644
    5   1HB   HIS   1          1HB       HIS   1   6.231   4.170   4.395
    6   2HB   HIS   1          2HB       HIS   1   6.909   2.690   3.777
    7    HD1  HIS   1           HD1      HIS   1   4.729   3.060   6.232
    8    HD2  HIS   1           HD2      HIS   1   8.827   1.785   6.293
    9    HE1  HIS   1           HE1      HIS   1   5.175   1.581   8.274
   10    HE2  HIS   1           HE2      HIS   1   7.598   0.724   8.392
   11    HA   HYP   2           HA       PRO   2   9.372   4.899   0.001
   12   1HB   HYP   2          1HB       PRO   2   7.866   2.475  -0.983
   13   2HB   HYP   2          2HB       PRO   2   9.439   3.035  -1.494
   14   1HD   HYP   2          1HD       PRO   2   7.883   1.727   1.783
   15   2HD   HYP   2          2HD       PRO   2   9.508   1.965   2.543
   16    HOD  HYP   2           HG2      PRO   2  11.266   2.044  -0.407
   17    HG   HYP   2           HG       PRO   2   9.364   0.896   0.111
   18    HA   HYP   3           HA       PRO   3   4.543   5.193  -1.344
   19   1HB   HYP   3          1HB       PRO   3   4.096   4.423  -3.429
   20   2HB   HYP   3          2HB       PRO   3   5.321   3.180  -3.421
   21   1HD   HYP   3          1HD       PRO   3   7.884   4.072  -3.059
   22   2HD   HYP   3          2HD       PRO   3   8.100   5.804  -2.517
   23    HOD  HYP   3           HG2      PRO   3   6.470   7.202  -3.847
   24    HG   HYP   3           HG       PRO   3   6.492   5.266  -4.930
   25    H    CYS   4           H        CYS   4   2.905   3.808  -0.728
   26    HA   CYS   4           HA       CYS   4   2.837   1.278   0.577
   27   1HB   CYS   4          1HB       CYS   4   0.408   1.679  -0.894
   28   2HB   CYS   4          2HB       CYS   4   0.903   2.955   0.407
   29    H    CYS   5           H        CYS   5   2.439   1.775  -2.755
   30    HA   CYS   5           HA       CYS   5   1.116  -0.911  -3.526
   31   1HB   CYS   5          1HB       CYS   5   1.354   1.586  -4.770
   32   2HB   CYS   5          2HB       CYS   5   2.767   0.675  -5.538
   33    H    LEU   6           H        LEU   6   3.917  -0.881  -2.836
   34    HA   LEU   6           HA       LEU   6   5.117  -2.797  -4.847
   35   1HB   LEU   6          1HB       LEU   6   5.866  -0.234  -4.086
   36   2HB   LEU   6          2HB       LEU   6   6.622  -1.073  -2.830
   37    HG   LEU   6           HG       LEU   6   8.160  -0.527  -4.480
   38   1HD1  LEU   6          3HD2      LEU   6   8.729  -2.702  -3.806
   39   2HD1  LEU   6          2HD2      LEU   6   7.977  -3.378  -5.260
   40   3HD1  LEU   6          1HD2      LEU   6   9.408  -2.283  -5.405
   41   1HD2  LEU   6          2HD1      LEU   6   6.563   0.022  -6.397
   42   2HD2  LEU   6          3HD1      LEU   6   8.078  -0.700  -6.961
   43   3HD2  LEU   6          1HD1      LEU   6   6.601  -1.697  -6.856
   44    H    TYR   7           H        TYR   7   6.977  -3.831  -3.957
   45    HA   TYR   7           HA       TYR   7   7.976  -5.828  -2.966
   46   1HB   TYR   7          1HB       TYR   7   6.782  -4.576  -0.693
   47   2HB   TYR   7          2HB       TYR   7   7.894  -5.960  -0.469
   48    HD1  TYR   7           HD2      TYR   7  10.337  -5.809  -1.166
   49    HD2  TYR   7           HD1      TYR   7   7.840  -2.296  -1.115
   50    HE1  TYR   7           HE2      TYR   7  12.304  -4.378  -1.188
   51    HE2  TYR   7           HE1      TYR   7   9.828  -0.918  -1.140
   52    HH   TYR   7           HH       TYR   7  12.026  -0.843  -1.176
   53    H    GLY   8           H        GLY   8   5.028  -5.726  -3.235
   54   1HA   GLY   8          2HA       GLY   8   3.290  -7.394  -3.690
   55   2HA   GLY   8          1HA       GLY   8   4.410  -8.658  -3.029
   56    H    LYS   9           H        LYS   9   3.605  -5.826  -0.970
   57    HA   LYS   9           HA       LYS   9   1.557  -7.564   0.632
   58   1HB   LYS   9          2HB       LYS   9   3.952  -7.485   1.624
   59   2HB   LYS   9          1HB       LYS   9   3.760  -5.751   1.831
   60   1HG   LYS   9          2HG       LYS   9   1.732  -6.252   3.353
   61   2HG   LYS   9          1HG       LYS   9   2.028  -7.952   3.093
   62   1HD   LYS   9          1HD       LYS   9   2.989  -7.669   5.161
   63   2HD   LYS   9          2HD       LYS   9   4.406  -7.636   4.135
   64   1HE   LYS   9          1HE       LYS   9   4.411  -5.075   4.317
   65   2HE   LYS   9          2HE       LYS   9   2.991  -5.173   5.374
   66   1HZ   LYS   9          2HZ       LYS   9   5.638  -6.433   5.938
   67   2HZ   LYS   9          1HZ       LYS   9   5.047  -5.067   6.656
   68   3HZ   LYS   9          3HZ       LYS   9   4.315  -6.523   6.925
   69    H    CYS  10           H        CYS  10  -0.409  -6.234   0.701
   70    HA   CYS  10           HA       CYS  10  -0.831  -3.954  -0.185
   71   1HB   CYS  10          2HB       CYS  10  -2.415  -5.627   1.887
   72   2HB   CYS  10          1HB       CYS  10  -2.903  -4.802   0.411
   73    H    ARG  11           H        ARG  11   0.594  -1.953   1.345
   74    HA   ARG  11           HA       ARG  11  -0.609  -1.249   3.599
   75   1HB   ARG  11          2HB       ARG  11   1.225   0.214   2.132
   76   2HB   ARG  11          1HB       ARG  11   1.128   0.074   3.707
   77   1HG   ARG  11          1HG       ARG  11   2.962  -1.143   3.833
   78   2HG   ARG  11          2HG       ARG  11   1.853  -2.457   3.546
   79   1HD   ARG  11          2HD       ARG  11   3.522  -2.943   1.894
   80   2HD   ARG  11          1HD       ARG  11   2.350  -2.072   0.904
   81    HE   ARG  11           HE       ARG  11   3.639   0.005   1.799
   82   1HH1  ARG  11          1HH1      ARG  11   5.237  -3.075   0.757
   83   2HH1  ARG  11          2HH1      ARG  11   6.788  -2.199   0.315
   84   1HH2  ARG  11          1HH2      ARG  11   5.593   0.893   1.181
   85   2HH2  ARG  11          2HH2      ARG  11   6.967  -0.139   0.537
   86    H    ARG  12           H        ARG  12  -1.308   0.789   3.756
   87    HA   ARG  12           HA       ARG  12  -2.110   2.601   1.830
   88   1HB   ARG  12          1HB       ARG  12  -4.560   2.811   2.020
   89   2HB   ARG  12          2HB       ARG  12  -4.073   1.100   1.947
   90   1HG   ARG  12          2HG       ARG  12  -4.396   0.872   4.339
   91   2HG   ARG  12          1HG       ARG  12  -4.878   2.571   4.462
   92   1HD   ARG  12          2HD       ARG  12  -6.454   0.518   2.749
   93   2HD   ARG  12          1HD       ARG  12  -6.780   0.768   4.461
   94    HE   ARG  12           HE       ARG  12  -6.889   3.334   2.997
   95   1HH1  ARG  12          1HH2      ARG  12  -8.945   0.484   3.789
   96   2HH1  ARG  12          2HH2      ARG  12 -10.438   1.516   3.517
   97   1HH2  ARG  12          1HH1      ARG  12  -8.653   4.342   2.733
   98   2HH2  ARG  12          2HH1      ARG  12 -10.280   3.527   2.967
   99    H    TYR  13           H        TYR  13  -0.203   3.417   2.922
  100    HA   TYR  13           HA       TYR  13  -0.629   4.295   5.800
  101   1HB   TYR  13          1HB       TYR  13   2.124   4.110   5.553
  102   2HB   TYR  13          2HB       TYR  13   1.321   2.639   5.517
  103    HD1  TYR  13           HD2      TYR  13   2.199   5.332   2.890
  104    HD2  TYR  13           HD1      TYR  13   2.868   1.318   4.338
  105    HE1  TYR  13           HE2      TYR  13   4.159   5.123   1.483
  106    HE2  TYR  13           HE1      TYR  13   4.824   1.190   2.967
  107    HH   TYR  13           HH       TYR  13   6.009   3.830   1.068
  108    HA   HYP  14           HA       PRO  14   1.778   8.617   6.124
  109   1HB   HYP  14          1HB       PRO  14   3.405   6.221   4.960
  110   2HB   HYP  14          2HB       PRO  14   4.184   7.614   5.646
  111   1HD   HYP  14          1HD       PRO  14   1.301   5.029   7.215
  112   2HD   HYP  14          2HD       PRO  14   1.007   6.622   7.962
  113    HOD  HYP  14           HG2      PRO  14   3.138   6.885   8.939
  114    HG   HYP  14           HG       PRO  14   3.590   5.465   7.209
  115    H    GLY  15           H        GLY  15   0.949   7.294   2.965
  116   1HA   GLY  15          2HA       GLY  15   0.955   9.985   2.021
  117   2HA   GLY  15          1HA       GLY  15   2.404   8.838   1.395
  118    H    CYS  16           H        CYS  16  -0.751   7.303   1.756
  119    HA   CYS  16           HA       CYS  16  -0.902   7.031  -1.338
  120   1HB   CYS  16          1HB       CYS  16   0.409   5.281   0.347
  121   2HB   CYS  16          2HB       CYS  16  -1.207   4.915   0.933
  122    H    SER  17           H        SER  17  -2.820   7.500   1.467
  123    HA   SER  17           HA       SER  17  -3.879   5.040   1.565
  124   1HB   SER  17          1HB       SER  17  -3.651   6.586   3.533
  125   2HB   SER  17          2HB       SER  17  -5.058   7.515   2.979
  126    HG   SER  17           HG       SER  17  -5.518   6.003   4.600
  127    H    SER  18           H        SER  18  -5.012   6.579  -0.546
  128    HA   SER  18           HA       SER  18  -7.780   5.325  -1.056
  129   1HB   SER  18          1HB       SER  18  -5.723   6.524  -3.007
  130   2HB   SER  18          2HB       SER  18  -7.338   5.975  -3.472
  131    HG   SER  18           HG       SER  18  -7.282   8.191  -3.088
  132    H    ALA  19           H        ALA  19  -4.769   4.065  -0.756
  133    HA   ALA  19           HA       ALA  19  -3.883   2.789  -2.909
  134   1HB   ALA  19          3HB       ALA  19  -2.781   2.993  -0.551
  135   2HB   ALA  19          2HB       ALA  19  -3.512   1.432  -0.184
  136   3HB   ALA  19          1HB       ALA  19  -2.362   1.564  -1.526
  137    H    SER  20           H        SER  20  -6.018   1.981  -3.718
  138    HA   SER  20           HA       SER  20  -6.999  -0.581  -3.387
  139   1HB   SER  20          2HB       SER  20  -6.654   0.691  -6.137
  140   2HB   SER  20          1HB       SER  20  -7.727  -0.611  -5.507
  141    HG   SER  20           HG       SER  20  -8.651   0.888  -4.083
  142    H    CYS  21           H        CYS  21  -3.894  -0.131  -4.651
  143    HA   CYS  21           HA       CYS  21  -3.042  -1.893  -6.618
  144   1HB   CYS  21          2HB       CYS  21  -1.860  -1.413  -3.773
  145   2HB   CYS  21          1HB       CYS  21  -1.031  -2.205  -5.100
  146    H    CYS  22           H        CYS  22  -4.433  -3.178  -3.721
  147    HA   CYS  22           HA       CYS  22  -3.472  -6.017  -4.258
  148   1HB   CYS  22          2HB       CYS  22  -4.007  -4.367  -1.779
  149   2HB   CYS  22          1HB       CYS  22  -4.524  -6.134  -1.729
  150    H    GLN  23           H        GLN  23  -6.745  -4.570  -3.483
  151    HA   GLN  23           HA       GLN  23  -8.744  -6.052  -4.193
  152   1HB   GLN  23          1HB       GLN  23  -7.803  -3.492  -5.479
  153   2HB   GLN  23          2HB       GLN  23  -9.634  -4.052  -5.154
  154   1HG   GLN  23          1HG       GLN  23  -8.486  -3.762  -2.607
  155   2HG   GLN  23          2HG       GLN  23  -7.593  -2.592  -3.465
  156   1HE2  GLN  23          1HE2      GLN  23 -11.568  -1.804  -2.692
  157   2HE2  GLN  23          2HE2      GLN  23 -10.838  -3.467  -2.433
  158    H    ARG  24           H        ARG  24  -9.838  -6.670  -6.146
  159    HA   ARG  24           HA       ARG  24  -8.323  -6.762  -8.772
  160   1HB   ARG  24          1HB       ARG  24  -7.737  -8.908  -7.661
  161   2HB   ARG  24          2HB       ARG  24  -9.437  -9.290  -7.431
  162   1HG   ARG  24          2HG       ARG  24  -8.094  -8.927 -10.190
  163   2HG   ARG  24          1HG       ARG  24  -8.013 -10.440  -9.320
  164   1HD   ARG  24          2HD       ARG  24 -10.702  -9.171 -10.141
  165   2HD   ARG  24          1HD       ARG  24  -9.780 -10.249 -11.187
  166    HE   ARG  24           HE       ARG  24 -10.173 -11.596  -8.630
  167   1HH1  ARG  24          1HH1      ARG  24 -12.136 -10.750 -11.529
  168   2HH1  ARG  24          2HH1      ARG  24 -13.249 -12.161 -11.157
  169   1HH2  ARG  24          2HH2      ARG  24 -11.509 -13.126  -8.359
  170   2HH2  ARG  24          1HH2      ARG  24 -12.918 -13.397  -9.503
  171   1HN   NH2  25          1HC       ARG  24 -11.605  -7.942  -7.525
  172   2HN   NH2  25          2HC       ARG  24 -12.478  -6.919  -8.774
   
  No H/Q in entry =         172
  Start of MODEL    6
    1   1H    HIS   1          1H        HIS   1   9.117   5.781   4.688
    2   2H    HIS   1          3H        HIS   1   7.493   5.817   4.389
    3   3H    HIS   1          2H        HIS   1   8.056   5.226   5.826
    4    HA   HIS   1           HA       HIS   1   9.194   3.429   4.736
    5   1HB   HIS   1          2HB       HIS   1   6.285   3.560   3.696
    6   2HB   HIS   1          1HB       HIS   1   6.892   2.064   4.234
    7    HD1  HIS   1           HD1      HIS   1   4.296   2.287   5.143
    8    HD2  HIS   1           HD2      HIS   1   7.597   3.906   7.350
    9    HE1  HIS   1           HE1      HIS   1   3.696   2.479   7.658
   10    HE2  HIS   1           HE2      HIS   1   5.627   3.433   9.072
   11    HA   HYP   2           HA       PRO   2   9.829   3.732   0.039
   12   1HB   HYP   2          1HB       PRO   2   7.694   1.823  -0.907
   13   2HB   HYP   2          2HB       PRO   2   9.381   1.799  -1.303
   14   1HD   HYP   2          1HD       PRO   2   7.273   1.488   1.977
   15   2HD   HYP   2          2HD       PRO   2   8.879   1.246   2.780
   16    HOD  HYP   2           HG2      PRO   2  10.646   0.315  -0.002
   17    HG   HYP   2           HG       PRO   2   8.424  -0.004   0.455
   18    HA   HYP   3           HA       PRO   3   5.326   5.275  -1.696
   19   1HB   HYP   3          1HB       PRO   3   5.621   2.952  -3.572
   20   2HB   HYP   3          2HB       PRO   3   4.815   4.500  -3.762
   21   1HD   HYP   3          1HD       PRO   3   8.312   3.113  -3.086
   22   2HD   HYP   3          2HD       PRO   3   9.006   4.756  -2.702
   23    HOD  HYP   3           HG2      PRO   3   7.897   6.426  -4.238
   24    HG   HYP   3           HG       PRO   3   7.410   4.465  -5.157
   25    H    CYS   4           H        CYS   4   3.091   4.153  -1.313
   26    HA   CYS   4           HA       CYS   4   2.779   1.727   0.041
   27   1HB   CYS   4          1HB       CYS   4   0.469   2.281  -1.628
   28   2HB   CYS   4          2HB       CYS   4   0.916   3.390  -0.168
   29    H    CYS   5           H        CYS   5   2.456   2.120  -3.404
   30    HA   CYS   5           HA       CYS   5   1.264  -0.764  -3.762
   31   1HB   CYS   5          1HB       CYS   5   0.890   1.642  -5.133
   32   2HB   CYS   5          2HB       CYS   5   2.226   0.846  -6.137
   33    H    LEU   6           H        LEU   6   4.056  -0.224  -3.547
   34    HA   LEU   6           HA       LEU   6   5.406  -1.793  -5.685
   35   1HB   LEU   6          2HB       LEU   6   6.194   0.303  -4.695
   36   2HB   LEU   6          1HB       LEU   6   6.586  -0.544  -3.199
   37    HG   LEU   6           HG       LEU   6   7.985  -0.956  -5.646
   38   1HD1  LEU   6          1HD1      LEU   6   8.245   1.434  -5.020
   39   2HD1  LEU   6          2HD1      LEU   6   8.809   0.950  -3.406
   40   3HD1  LEU   6          3HD1      LEU   6   9.810   0.620  -4.856
   41   1HD2  LEU   6          3HD2      LEU   6   8.449  -2.823  -4.063
   42   2HD2  LEU   6          1HD2      LEU   6   9.925  -1.886  -4.275
   43   3HD2  LEU   6          2HD2      LEU   6   8.914  -1.661  -2.813
   44    H    TYR   7           H        TYR   7   6.483  -3.631  -5.482
   45    HA   TYR   7           HA       TYR   7   6.983  -5.919  -5.060
   46   1HB   TYR   7          1HB       TYR   7   6.794  -5.044  -2.373
   47   2HB   TYR   7          2HB       TYR   7   7.281  -6.739  -2.722
   48    HD1  TYR   7           HD2      TYR   7   9.253  -6.373  -5.004
   49    HD2  TYR   7           HD1      TYR   7   8.868  -4.294  -1.252
   50    HE1  TYR   7           HE2      TYR   7  11.636  -5.858  -5.013
   51    HE2  TYR   7           HE1      TYR   7  11.229  -3.811  -1.302
   52    HH   TYR   7           HH       TYR   7  13.314  -4.888  -3.961
   53    H    GLY   8           H        GLY   8   4.242  -4.819  -4.375
   54   1HA   GLY   8          2HA       GLY   8   1.968  -5.716  -4.625
   55   2HA   GLY   8          1HA       GLY   8   2.704  -7.366  -4.730
   56    H    LYS   9           H        LYS   9   3.341  -5.270  -1.857
   57    HA   LYS   9           HA       LYS   9   1.918  -7.382  -0.075
   58   1HB   LYS   9          2HB       LYS   9   4.390  -6.750   0.282
   59   2HB   LYS   9          1HB       LYS   9   3.878  -5.115   0.681
   60   1HG   LYS   9          2HG       LYS   9   2.530  -6.098   2.634
   61   2HG   LYS   9          1HG       LYS   9   3.103  -7.704   2.192
   62   1HD   LYS   9          1HD       LYS   9   5.511  -6.928   2.603
   63   2HD   LYS   9          2HD       LYS   9   4.888  -5.351   3.061
   64   1HE   LYS   9          2HE       LYS   9   5.299  -6.374   5.117
   65   2HE   LYS   9          1HE       LYS   9   3.555  -6.527   4.979
   66   1HZ   LYS   9          2HZ       LYS   9   5.552  -8.675   4.387
   67   2HZ   LYS   9          3HZ       LYS   9   4.587  -8.586   5.725
   68   3HZ   LYS   9          1HZ       LYS   9   3.916  -8.856   4.239
   69    H    CYS  10           H        CYS  10  -0.113  -6.574   0.577
   70    HA   CYS  10           HA       CYS  10  -1.303  -4.206   0.091
   71   1HB   CYS  10          1HB       CYS  10  -2.508  -6.240   0.508
   72   2HB   CYS  10          2HB       CYS  10  -2.014  -6.270   2.230
   73    H    ARG  11           H        ARG  11   0.782  -2.488   1.381
   74    HA   ARG  11           HA       ARG  11  -0.515  -1.320   3.414
   75   1HB   ARG  11          2HB       ARG  11   1.207   0.207   3.031
   76   2HB   ARG  11          1HB       ARG  11   1.696  -1.304   3.417
   77   1HG   ARG  11          1HG       ARG  11   1.800  -0.356   0.507
   78   2HG   ARG  11          2HG       ARG  11   2.971   0.275   1.623
   79   1HD   ARG  11          1HD       ARG  11   2.796  -2.701   0.907
   80   2HD   ARG  11          2HD       ARG  11   3.943  -1.536   0.231
   81    HE   ARG  11           HE       ARG  11   3.872  -1.389   3.099
   82   1HH1  ARG  11          1HH1      ARG  11   5.393  -3.417   0.518
   83   2HH1  ARG  11          2HH1      ARG  11   6.749  -3.918   1.647
   84   1HH2  ARG  11          2HH2      ARG  11   5.554  -2.087   4.298
   85   2HH2  ARG  11          1HH2      ARG  11   6.829  -3.221   3.622
   86    H    ARG  12           H        ARG  12  -1.919   0.171   3.114
   87    HA   ARG  12           HA       ARG  12  -2.131   2.064   0.941
   88   1HB   ARG  12          1HB       ARG  12  -4.637   2.184   1.119
   89   2HB   ARG  12          2HB       ARG  12  -3.873   0.647   0.654
   90   1HG   ARG  12          1HG       ARG  12  -5.707   0.162   1.772
   91   2HG   ARG  12          2HG       ARG  12  -4.256  -0.386   2.635
   92   1HD   ARG  12          2HD       ARG  12  -5.822   2.136   3.551
   93   2HD   ARG  12          1HD       ARG  12  -6.409   0.524   3.990
   94    HE   ARG  12           HE       ARG  12  -3.543   0.837   4.608
   95   1HH1  ARG  12          2HH2      ARG  12  -6.797   1.451   6.041
   96   2HH1  ARG  12          1HH2      ARG  12  -6.050   1.443   7.717
   97   1HH2  ARG  12          2HH1      ARG  12  -2.865   0.859   6.573
   98   2HH2  ARG  12          1HH1      ARG  12  -3.999   1.134   7.989
   99    H    TYR  13           H        TYR  13  -0.572   3.234   2.260
  100    HA   TYR  13           HA       TYR  13  -1.367   3.510   5.148
  101   1HB   TYR  13          1HB       TYR  13   1.414   3.616   5.179
  102   2HB   TYR  13          2HB       TYR  13   0.789   2.122   4.754
  103    HD1  TYR  13           HD1      TYR  13   1.242   5.180   2.443
  104    HD2  TYR  13           HD2      TYR  13   2.886   1.447   3.859
  105    HE1  TYR  13           HE1      TYR  13   3.293   5.572   1.223
  106    HE2  TYR  13           HE2      TYR  13   4.864   1.862   2.614
  107    HH   TYR  13           HH       TYR  13   5.420   4.956   1.007
  108    HA   HYP  14           HA       PRO  14   0.628   7.792   6.714
  109   1HB   HYP  14          1HB       PRO  14   2.578   5.776   5.335
  110   2HB   HYP  14          2HB       PRO  14   3.148   7.046   6.369
  111   1HD   HYP  14          1HD       PRO  14   0.356   4.019   6.918
  112   2HD   HYP  14          2HD       PRO  14  -0.206   5.349   7.957
  113    HOD  HYP  14           HG2      PRO  14   1.727   5.596   9.282
  114    HG   HYP  14           HG       PRO  14   2.554   4.602   7.402
  115    H    GLY  15           H        GLY  15   0.367   7.117   3.248
  116   1HA   GLY  15          2HA       GLY  15   0.324   9.938   2.848
  117   2HA   GLY  15          1HA       GLY  15   1.940   9.004   2.278
  118    H    CYS  16           H        CYS  16  -1.129   7.327   1.811
  119    HA   CYS  16           HA       CYS  16  -0.788   7.661  -1.262
  120   1HB   CYS  16          1HB       CYS  16   0.309   5.629   0.248
  121   2HB   CYS  16          2HB       CYS  16  -1.365   5.144   0.502
  122    H    SER  17           H        SER  17  -3.120   7.593   1.233
  123    HA   SER  17           HA       SER  17  -4.118   5.181   0.733
  124   1HB   SER  17          1HB       SER  17  -5.352   7.400   2.486
  125   2HB   SER  17          2HB       SER  17  -5.708   5.680   2.674
  126    HG   SER  17           HG       SER  17  -4.045   6.362   4.023
  127    H    SER  18           H        SER  18  -4.980   7.012  -1.224
  128    HA   SER  18           HA       SER  18  -7.707   5.929  -2.151
  129   1HB   SER  18          2HB       SER  18  -6.782   8.039  -3.222
  130   2HB   SER  18          1HB       SER  18  -5.423   7.094  -3.853
  131    HG   SER  18           HG       SER  18  -8.189   6.644  -4.345
  132    H    ALA  19           H        ALA  19  -4.402   4.807  -2.158
  133    HA   ALA  19           HA       ALA  19  -4.191   2.959  -4.098
  134   1HB   ALA  19          3HB       ALA  19  -2.826   2.973  -1.392
  135   2HB   ALA  19          2HB       ALA  19  -2.408   1.845  -2.704
  136   3HB   ALA  19          1HB       ALA  19  -2.317   3.577  -2.999
  137    H    SER  20           H        SER  20  -6.201   1.836  -4.148
  138    HA   SER  20           HA       SER  20  -7.174  -0.493  -2.930
  139   1HB   SER  20          1HB       SER  20  -7.155  -1.613  -5.146
  140   2HB   SER  20          2HB       SER  20  -7.790  -0.021  -5.246
  141    HG   SER  20           HG       SER  20  -5.771   0.703  -5.983
  142    H    CYS  21           H        CYS  21  -4.337  -0.591  -4.744
  143    HA   CYS  21           HA       CYS  21  -2.660  -2.639  -5.123
  144   1HB   CYS  21          2HB       CYS  21  -2.184  -0.361  -3.085
  145   2HB   CYS  21          1HB       CYS  21  -0.956  -1.459  -3.713
  146    H    CYS  22           H        CYS  22  -4.644  -3.563  -3.376
  147    HA   CYS  22           HA       CYS  22  -3.167  -5.767  -1.919
  148   1HB   CYS  22          2HB       CYS  22  -5.807  -4.253  -1.517
  149   2HB   CYS  22          1HB       CYS  22  -5.213  -5.760  -0.619
  150    H    GLN  23           H        GLN  23  -5.668  -5.887  -4.487
  151    HA   GLN  23           HA       GLN  23  -7.173  -5.123  -2.624
  152   1HB   GLN  23          1HB       GLN  23  -7.827  -4.509  -5.429
  153   2HB   GLN  23          2HB       GLN  23  -7.194  -3.381  -4.023
  154   1HG   GLN  23          2HG       GLN  23  -5.084  -3.644  -5.249
  155   2HG   GLN  23          1HG       GLN  23  -5.588  -5.125  -6.020
  156   1HE2  GLN  23          1HE2      GLN  23  -5.414  -2.703  -8.753
  157   2HE2  GLN  23          2HE2      GLN  23  -4.343  -3.680  -7.629
  158    H    ARG  24           H        ARG  24  -9.444  -4.953  -2.463
  159    HA   ARG  24           HA       ARG  24 -10.847  -7.516  -3.127
  160   1HB   ARG  24          1HB       ARG  24 -12.558  -6.806  -1.649
  161   2HB   ARG  24          2HB       ARG  24 -11.013  -6.790  -0.857
  162   1HG   ARG  24          2HG       ARG  24 -12.530  -4.265  -1.740
  163   2HG   ARG  24          1HG       ARG  24 -12.737  -5.012  -0.168
  164   1HD   ARG  24          1HD       ARG  24 -10.013  -3.931  -1.136
  165   2HD   ARG  24          2HD       ARG  24 -11.204  -2.946  -0.305
  166    HE   ARG  24           HE       ARG  24  -9.590  -5.176   0.944
  167   1HH1  ARG  24          1HH1      ARG  24 -12.116  -2.690   1.575
  168   2HH1  ARG  24          2HH1      ARG  24 -11.845  -2.905   3.377
  169   1HH2  ARG  24          2HH2      ARG  24  -9.411  -5.296   2.981
  170   2HH2  ARG  24          1HH2      ARG  24 -10.432  -4.267   4.106
  171   1HN   NH2  25          1HC       ARG  24 -12.954  -6.252  -5.752
  172   2HN   NH2  25          2HC       ARG  24 -12.243  -7.676  -4.838
   
  No H/Q in entry =         172
  Start of MODEL    7
    1   1H    HIS   1          3H        HIS   1   9.798   5.483   4.648
    2   2H    HIS   1          2H        HIS   1   8.348   6.267   4.766
    3   3H    HIS   1          1H        HIS   1   8.930   5.408   6.052
    4    HA   HIS   1           HA       HIS   1   8.818   3.373   4.879
    5   1HB   HIS   1          1HB       HIS   1   6.300   5.177   5.152
    6   2HB   HIS   1          2HB       HIS   1   5.991   3.547   4.608
    7    HD1  HIS   1           HD1      HIS   1   4.623   4.521   7.116
    8    HD2  HIS   1           HD2      HIS   1   8.267   2.268   7.029
    9    HE1  HIS   1           HE1      HIS   1   4.946   3.259   9.328
   10    HE2  HIS   1           HE2      HIS   1   7.091   1.839   9.368
   11    HA   HYP   2           HA       PRO   2   8.928   3.255   0.486
   12   1HB   HYP   2          1HB       PRO   2   6.668   1.533  -0.322
   13   2HB   HYP   2          2HB       PRO   2   8.367   1.138  -0.361
   14   1HD   HYP   2          1HD       PRO   2   5.866   1.891   2.504
   15   2HD   HYP   2          2HD       PRO   2   7.231   1.472   3.602
   16    HOD  HYP   2           HG2      PRO   2   9.322   1.098   2.068
   17    HG   HYP   2           HG       PRO   2   6.797  -0.055   1.472
   18    HA   HYP   3           HA       PRO   3   5.080   4.981  -2.272
   19   1HB   HYP   3          1HB       PRO   3   5.580   2.291  -3.535
   20   2HB   HYP   3          2HB       PRO   3   5.005   3.790  -4.263
   21   1HD   HYP   3          1HD       PRO   3   8.037   2.383  -2.414
   22   2HD   HYP   3          2HD       PRO   3   8.776   4.022  -2.123
   23    HOD  HYP   3           HG2      PRO   3   8.278   5.449  -4.159
   24    HG   HYP   3           HG       PRO   3   7.842   3.387  -4.845
   25    H    CYS   4           H        CYS   4   2.808   4.215  -2.257
   26    HA   CYS   4           HA       CYS   4   1.781   2.119  -0.527
   27   1HB   CYS   4          2HB       CYS   4   0.468   4.058  -1.636
   28   2HB   CYS   4          1HB       CYS   4   0.308   2.918  -3.101
   29    H    CYS   5           H        CYS   5   2.538   1.744  -3.852
   30    HA   CYS   5           HA       CYS   5   1.251  -1.141  -4.057
   31   1HB   CYS   5          1HB       CYS   5   1.138   1.087  -5.747
   32   2HB   CYS   5          2HB       CYS   5   2.621   0.197  -6.412
   33    H    LEU   6           H        LEU   6   4.045  -0.448  -3.520
   34    HA   LEU   6           HA       LEU   6   5.504  -2.583  -5.042
   35   1HB   LEU   6          2HB       LEU   6   5.902  -0.122  -5.212
   36   2HB   LEU   6          1HB       LEU   6   6.497  -0.148  -3.538
   37    HG   LEU   6           HG       LEU   6   8.570  -1.216  -4.207
   38   1HD1  LEU   6          3HD2      LEU   6   7.760  -2.632  -6.171
   39   2HD1  LEU   6          2HD2      LEU   6   7.576  -1.167  -7.155
   40   3HD1  LEU   6          1HD2      LEU   6   9.202  -1.687  -6.606
   41   1HD2  LEU   6          2HD1      LEU   6   8.456   1.227  -4.267
   42   2HD2  LEU   6          3HD1      LEU   6   9.576   0.643  -5.507
   43   3HD2  LEU   6          1HD1      LEU   6   7.934   1.201  -5.963
   44    H    TYR   7           H        TYR   7   7.039  -3.860  -4.264
   45    HA   TYR   7           HA       TYR   7   8.487  -5.219  -2.968
   46   1HB   TYR   7          1HB       TYR   7   7.733  -3.501  -0.847
   47   2HB   TYR   7          2HB       TYR   7   8.784  -4.910  -0.484
   48    HD1  TYR   7           HD2      TYR   7  11.107  -5.085  -1.522
   49    HD2  TYR   7           HD1      TYR   7   8.815  -1.443  -1.785
   50    HE1  TYR   7           HE2      TYR   7  13.105  -3.838  -2.116
   51    HE2  TYR   7           HE1      TYR   7  10.838  -0.244  -2.375
   52    HH   TYR   7           HH       TYR   7  13.005  -0.350  -2.748
   53    H    GLY   8           H        GLY   8   5.466  -5.102  -2.423
   54   1HA   GLY   8          2HA       GLY   8   4.042  -6.966  -2.896
   55   2HA   GLY   8          1HA       GLY   8   5.366  -8.082  -2.366
   56    H    LYS   9           H        LYS   9   4.560  -5.932   0.091
   57    HA   LYS   9           HA       LYS   9   2.335  -7.823   1.287
   58   1HB   LYS   9          2HB       LYS   9   4.604  -8.105   2.445
   59   2HB   LYS   9          1HB       LYS   9   4.503  -6.430   2.970
   60   1HG   LYS   9          1HG       LYS   9   2.321  -7.029   4.202
   61   2HG   LYS   9          2HG       LYS   9   2.506  -8.669   3.640
   62   1HD   LYS   9          1HD       LYS   9   3.291  -8.877   5.793
   63   2HD   LYS   9          2HD       LYS   9   4.798  -8.778   4.907
   64   1HE   LYS   9          2HE       LYS   9   4.973  -6.309   5.590
   65   2HE   LYS   9          1HE       LYS   9   3.457  -6.477   6.493
   66   1HZ   LYS   9          1HZ       LYS   9   4.528  -8.212   7.845
   67   2HZ   LYS   9          2HZ       LYS   9   5.940  -8.054   7.002
   68   3HZ   LYS   9          3HZ       LYS   9   5.385  -6.802   7.927
   69    H    CYS  10           H        CYS  10   0.480  -6.466   1.291
   70    HA   CYS  10           HA       CYS  10   0.450  -3.987   0.292
   71   1HB   CYS  10          2HB       CYS  10  -1.227  -5.224  -0.076
   72   2HB   CYS  10          1HB       CYS  10  -1.792  -5.613   1.427
   73    H    ARG  11           H        ARG  11   1.996  -2.296   1.662
   74    HA   ARG  11           HA       ARG  11   1.690  -0.630   3.549
   75   1HB   ARG  11          1HB       ARG  11   1.458  -0.015   0.867
   76   2HB   ARG  11          2HB       ARG  11   1.980   0.947   1.958
   77   1HG   ARG  11          1HG       ARG  11   3.972   0.617   1.015
   78   2HG   ARG  11          2HG       ARG  11   4.091  -0.338   2.472
   79   1HD   ARG  11          1HD       ARG  11   5.117  -1.360   0.373
   80   2HD   ARG  11          2HD       ARG  11   3.974  -2.424   1.208
   81    HE   ARG  11           HE       ARG  11   2.724  -0.717  -0.766
   82   1HH1  ARG  11          2HH1      ARG  11   4.241  -3.978  -0.495
   83   2HH1  ARG  11          1HH1      ARG  11   2.919  -4.725  -1.525
   84   1HH2  ARG  11          1HH2      ARG  11   1.253  -1.805  -2.020
   85   2HH2  ARG  11          2HH2      ARG  11   1.395  -3.612  -2.302
   86    H    ARG  12           H        ARG  12   0.098   0.333   4.360
   87    HA   ARG  12           HA       ARG  12  -1.847   1.818   3.003
   88   1HB   ARG  12          1HB       ARG  12  -3.983   1.248   4.086
   89   2HB   ARG  12          2HB       ARG  12  -3.076  -0.232   3.653
   90   1HG   ARG  12          1HG       ARG  12  -2.382  -0.597   5.873
   91   2HG   ARG  12          2HG       ARG  12  -3.224   0.859   6.443
   92   1HD   ARG  12          1HD       ARG  12  -5.440  -0.080   6.098
   93   2HD   ARG  12          2HD       ARG  12  -4.856  -1.374   5.037
   94    HE   ARG  12           HE       ARG  12  -3.548  -2.247   7.085
   95   1HH1  ARG  12          2HH2      ARG  12  -6.762  -0.672   7.534
   96   2HH1  ARG  12          1HH2      ARG  12  -7.034  -1.659   9.056
   97   1HH2  ARG  12          1HH1      ARG  12  -4.015  -3.285   8.844
   98   2HH2  ARG  12          2HH1      ARG  12  -5.597  -3.022   9.736
   99    H    TYR  13           H        TYR  13  -0.231   3.321   3.392
  100    HA   TYR  13           HA       TYR  13   0.251   4.154   6.299
  101   1HB   TYR  13          1HB       TYR  13   2.664   4.481   5.463
  102   2HB   TYR  13          2HB       TYR  13   2.255   2.953   5.103
  103    HD1  TYR  13           HD1      TYR  13   0.987   3.460   2.126
  104    HD2  TYR  13           HD2      TYR  13   4.323   5.259   4.175
  105    HE1  TYR  13           HE1      TYR  13   1.855   4.410   0.061
  106    HE2  TYR  13           HE2      TYR  13   5.167   6.051   2.100
  107    HH   TYR  13           HH       TYR  13   3.390   5.567  -0.938
  108    HA   HYP  14           HA       PRO  14   1.040   8.913   6.151
  109   1HB   HYP  14          1HB       PRO  14   3.300   7.214   4.842
  110   2HB   HYP  14          2HB       PRO  14   3.571   8.811   5.437
  111   1HD   HYP  14          1HD       PRO  14   2.066   5.338   7.133
  112   2HD   HYP  14          2HD       PRO  14   1.299   6.643   8.080
  113    HOD  HYP  14           HG2      PRO  14   3.904   8.821   7.823
  114    HG   HYP  14           HG       PRO  14   4.005   6.675   7.059
  115    H    GLY  15           H        GLY  15   0.464   7.190   3.090
  116   1HA   GLY  15          2HA       GLY  15   0.193   9.617   1.649
  117   2HA   GLY  15          1HA       GLY  15   1.875   8.661   1.405
  118    H    CYS  16           H        CYS  16  -1.230   6.983   1.819
  119    HA   CYS  16           HA       CYS  16  -1.129   6.044  -1.165
  120   1HB   CYS  16          1HB       CYS  16  -0.326   4.469   0.502
  121   2HB   CYS  16          2HB       CYS  16  -1.780   4.581   1.546
  122    H    SER  17           H        SER  17  -3.239   7.268   1.328
  123    HA   SER  17           HA       SER  17  -4.486   4.925   1.297
  124   1HB   SER  17          1HB       SER  17  -4.542   6.575   3.253
  125   2HB   SER  17          2HB       SER  17  -5.874   7.425   2.453
  126    HG   SER  17           HG       SER  17  -7.059   5.464   2.606
  127    H    SER  18           H        SER  18  -5.401   6.815  -0.780
  128    HA   SER  18           HA       SER  18  -8.094   5.601  -1.663
  129   1HB   SER  18          1HB       SER  18  -6.262   7.520  -3.205
  130   2HB   SER  18          2HB       SER  18  -7.785   6.864  -3.821
  131    HG   SER  18           HG       SER  18  -8.823   7.740  -1.994
  132    H    ALA  19           H        ALA  19  -4.671   5.223  -2.529
  133    HA   ALA  19           HA       ALA  19  -4.913   3.979  -4.967
  134   1HB   ALA  19          3HB       ALA  19  -2.907   5.076  -4.166
  135   2HB   ALA  19          2HB       ALA  19  -2.536   3.687  -3.111
  136   3HB   ALA  19          1HB       ALA  19  -2.553   3.481  -4.869
  137    H    SER  20           H        SER  20  -6.609   2.447  -4.260
  138    HA   SER  20           HA       SER  20  -6.443  -0.034  -3.051
  139   1HB   SER  20          2HB       SER  20  -7.952   0.451  -5.657
  140   2HB   SER  20          1HB       SER  20  -8.295  -0.655  -4.290
  141    HG   SER  20           HG       SER  20  -9.592   1.228  -4.200
  142    H    CYS  21           H        CYS  21  -4.626   0.307  -5.366
  143    HA   CYS  21           HA       CYS  21  -3.542  -1.801  -6.918
  144   1HB   CYS  21          2HB       CYS  21  -2.120  -0.040  -6.016
  145   2HB   CYS  21          1HB       CYS  21  -2.275  -0.653  -4.353
  146    H    CYS  22           H        CYS  22  -4.243  -2.380  -3.550
  147    HA   CYS  22           HA       CYS  22  -3.305  -5.254  -3.641
  148   1HB   CYS  22          1HB       CYS  22  -2.540  -4.887  -1.590
  149   2HB   CYS  22          2HB       CYS  22  -2.701  -3.071  -1.998
  150    H    GLN  23           H        GLN  23  -6.004  -3.824  -1.899
  151    HA   GLN  23           HA       GLN  23  -8.135  -5.150  -1.348
  152   1HB   GLN  23          1HB       GLN  23  -7.842  -3.158  -3.544
  153   2HB   GLN  23          2HB       GLN  23  -9.382  -3.381  -2.399
  154   1HG   GLN  23          2HG       GLN  23  -6.673  -2.198  -1.596
  155   2HG   GLN  23          1HG       GLN  23  -8.046  -1.254  -2.122
  156   1HE2  GLN  23          2HE2      GLN  23  -9.749  -1.626   1.077
  157   2HE2  GLN  23          1HE2      GLN  23  -9.871  -1.084  -0.671
  158    H    ARG  24           H        ARG  24  -9.965  -6.137  -2.348
  159    HA   ARG  24           HA       ARG  24  -9.861  -7.065  -5.223
  160   1HB   ARG  24          1HB       ARG  24  -8.768  -8.939  -3.895
  161   2HB   ARG  24          2HB       ARG  24 -10.220  -9.031  -2.893
  162   1HG   ARG  24          1HG       ARG  24 -11.506  -9.693  -5.046
  163   2HG   ARG  24          2HG       ARG  24  -9.987  -9.596  -5.919
  164   1HD   ARG  24          1HD       ARG  24 -10.243 -11.898  -5.549
  165   2HD   ARG  24          2HD       ARG  24  -9.063 -11.457  -4.329
  166    HE   ARG  24           HE       ARG  24 -10.756 -11.808  -2.573
  167   1HH1  ARG  24          2HH2      ARG  24 -12.248 -12.490  -5.777
  168   2HH1  ARG  24          1HH2      ARG  24 -13.628 -13.349  -4.926
  169   1HH2  ARG  24          1HH1      ARG  24 -12.365 -12.798  -1.780
  170   2HH2  ARG  24          2HH1      ARG  24 -13.685 -13.507  -2.839
  171   1HN   NH2  25          1HC       ARG  24 -11.739  -6.018  -5.791
  172   2HN   NH2  25          2HC       ARG  24 -13.283  -5.993  -4.799
   
  No H/Q in entry =         172
  Start of MODEL    8
    1   1H    HIS   1          3H        HIS   1   9.159   6.153   4.762
    2   2H    HIS   1          2H        HIS   1   7.510   6.062   4.811
    3   3H    HIS   1          1H        HIS   1   8.417   5.207   5.896
    4    HA   HIS   1           HA       HIS   1   9.396   3.898   4.210
    5   1HB   HIS   1          1HB       HIS   1   6.279   4.100   4.230
    6   2HB   HIS   1          2HB       HIS   1   6.960   2.696   3.460
    7    HD1  HIS   1           HD1      HIS   1   4.914   2.770   6.039
    8    HD2  HIS   1           HD2      HIS   1   9.084   1.746   5.829
    9    HE1  HIS   1           HE1      HIS   1   5.549   1.192   7.954
   10    HE2  HIS   1           HE2      HIS   1   8.022   0.483   7.908
   11    HA   HYP   2           HA       PRO   2   8.924   5.432  -0.263
   12   1HB   HYP   2          1HB       PRO   2   7.542   3.001  -1.391
   13   2HB   HYP   2          2HB       PRO   2   9.022   3.745  -1.951
   14   1HD   HYP   2          1HD       PRO   2   7.825   1.971   1.256
   15   2HD   HYP   2          2HD       PRO   2   9.483   2.252   1.922
   16    HOD  HYP   2           HG2      PRO   2  10.716   3.754   0.147
   17    HG   HYP   2           HG       PRO   2   9.234   1.452  -0.601
   18    HA   HYP   3           HA       PRO   3   3.972   5.506  -1.245
   19   1HB   HYP   3          1HB       PRO   3   4.747   3.677  -3.502
   20   2HB   HYP   3          2HB       PRO   3   3.446   4.823  -3.339
   21   1HD   HYP   3          1HD       PRO   3   7.258   4.777  -3.262
   22   2HD   HYP   3          2HD       PRO   3   7.368   6.471  -2.587
   23    HOD  HYP   3           HG2      PRO   3   4.082   7.234  -3.990
   24    HG   HYP   3           HG       PRO   3   5.657   5.948  -4.933
   25    H    CYS   4           H        CYS   4   2.387   3.854  -0.731
   26    HA   CYS   4           HA       CYS   4   2.876   1.378   0.530
   27   1HB   CYS   4          1HB       CYS   4   0.300   1.361  -0.771
   28   2HB   CYS   4          2HB       CYS   4   0.660   2.627   0.606
   29    H    CYS   5           H        CYS   5   2.090   1.769  -2.822
   30    HA   CYS   5           HA       CYS   5   1.557  -1.281  -3.282
   31   1HB   CYS   5          1HB       CYS   5   0.657   0.953  -4.666
   32   2HB   CYS   5          2HB       CYS   5   2.153   0.515  -5.658
   33    H    LEU   6           H        LEU   6   4.242  -0.118  -3.175
   34    HA   LEU   6           HA       LEU   6   5.863  -2.120  -4.744
   35   1HB   LEU   6          1HB       LEU   6   6.508   0.423  -3.892
   36   2HB   LEU   6          2HB       LEU   6   6.814  -0.370  -2.421
   37    HG   LEU   6           HG       LEU   6   8.735   0.119  -3.632
   38   1HD1  LEU   6          1HD2      LEU   6   9.045  -1.897  -2.437
   39   2HD1  LEU   6          2HD2      LEU   6   8.917  -2.800  -3.968
   40   3HD1  LEU   6          3HD2      LEU   6  10.232  -1.594  -3.737
   41   1HD2  LEU   6          1HD1      LEU   6   7.842   0.314  -5.983
   42   2HD2  LEU   6          3HD1      LEU   6   9.456  -0.420  -5.933
   43   3HD2  LEU   6          2HD1      LEU   6   8.009  -1.450  -6.149
   44    H    TYR   7           H        TYR   7   7.368  -3.183  -3.369
   45    HA   TYR   7           HA       TYR   7   8.035  -5.159  -2.158
   46   1HB   TYR   7          1HB       TYR   7   6.307  -3.913  -0.248
   47   2HB   TYR   7          2HB       TYR   7   7.323  -5.307   0.229
   48    HD1  TYR   7           HD1      TYR   7   9.931  -5.113  -0.174
   49    HD2  TYR   7           HD2      TYR   7   7.342  -1.677   0.063
   50    HE1  TYR   7           HE1      TYR   7  11.810  -3.712   0.489
   51    HE2  TYR   7           HE2      TYR   7   9.236  -0.334   0.748
   52    HH   TYR   7           HH       TYR   7  11.394  -0.255   1.166
   53    H    GLY   8           H        GLY   8   5.165  -4.987  -3.048
   54   1HA   GLY   8          2HA       GLY   8   3.565  -6.598  -3.948
   55   2HA   GLY   8          1HA       GLY   8   4.673  -7.909  -3.359
   56    H    LYS   9           H        LYS   9   3.459  -5.612  -0.946
   57    HA   LYS   9           HA       LYS   9   1.327  -7.668   0.027
   58   1HB   LYS   9          1HB       LYS   9   3.697  -8.022   1.139
   59   2HB   LYS   9          2HB       LYS   9   3.466  -6.472   1.890
   60   1HG   LYS   9          1HG       LYS   9   2.754  -7.829   3.592
   61   2HG   LYS   9          2HG       LYS   9   1.203  -7.431   2.880
   62   1HD   LYS   9          1HD       LYS   9   1.225  -9.661   1.640
   63   2HD   LYS   9          2HD       LYS   9   2.778 -10.048   2.380
   64   1HE   LYS   9          2HE       LYS   9   1.708  -9.970   4.679
   65   2HE   LYS   9          1HE       LYS   9   0.146  -9.581   3.935
   66   1HZ   LYS   9          3HZ       LYS   9   1.724 -12.057   3.411
   67   2HZ   LYS   9          2HZ       LYS   9   0.365 -11.957   4.346
   68   3HZ   LYS   9          1HZ       LYS   9   0.269 -11.695   2.718
   69    H    CYS  10           H        CYS  10  -0.481  -6.491   0.916
   70    HA   CYS  10           HA       CYS  10  -1.065  -4.164   0.246
   71   1HB   CYS  10          2HB       CYS  10  -2.384  -6.061   2.305
   72   2HB   CYS  10          1HB       CYS  10  -2.990  -4.986   1.075
   73    H    ARG  11           H        ARG  11   0.749  -2.509   1.787
   74    HA   ARG  11           HA       ARG  11  -0.387  -1.550   4.002
   75   1HB   ARG  11          2HB       ARG  11   1.509  -0.077   3.534
   76   2HB   ARG  11          1HB       ARG  11   1.738  -1.660   3.900
   77   1HG   ARG  11          1HG       ARG  11   2.142  -2.247   1.436
   78   2HG   ARG  11          2HG       ARG  11   1.931  -0.589   1.012
   79   1HD   ARG  11          1HD       ARG  11   4.182  -1.842   0.999
   80   2HD   ARG  11          2HD       ARG  11   4.132  -0.159   1.494
   81    HE   ARG  11           HE       ARG  11   3.871  -1.954   3.760
   82   1HH1  ARG  11          2HH1      ARG  11   6.468  -0.470   1.748
   83   2HH1  ARG  11          1HH1      ARG  11   7.669  -0.659   3.123
   84   1HH2  ARG  11          1HH2      ARG  11   5.407  -2.157   5.228
   85   2HH2  ARG  11          2HH2      ARG  11   7.110  -1.540   4.937
   86    H    ARG  12           H        ARG  12  -1.468   0.221   4.068
   87    HA   ARG  12           HA       ARG  12  -1.889   2.167   2.017
   88   1HB   ARG  12          1HB       ARG  12  -4.343   2.389   2.171
   89   2HB   ARG  12          2HB       ARG  12  -3.859   0.680   1.982
   90   1HG   ARG  12          2HG       ARG  12  -4.197   0.219   4.275
   91   2HG   ARG  12          1HG       ARG  12  -4.705   1.888   4.602
   92   1HD   ARG  12          2HD       ARG  12  -6.790   1.681   3.376
   93   2HD   ARG  12          1HD       ARG  12  -6.274   0.222   2.512
   94    HE   ARG  12           HE       ARG  12  -6.185  -0.927   4.822
   95   1HH1  ARG  12          2HH2      ARG  12  -8.668   1.607   4.167
   96   2HH1  ARG  12          1HH2      ARG  12  -9.787   0.827   5.393
   97   1HH2  ARG  12          1HH1      ARG  12  -7.580  -1.681   6.189
   98   2HH2  ARG  12          2HH1      ARG  12  -9.215  -0.890   6.447
   99    H    TYR  13           H        TYR  13  -0.158   3.039   3.167
  100    HA   TYR  13           HA       TYR  13  -0.628   4.117   5.946
  101   1HB   TYR  13          1HB       TYR  13   2.136   4.012   5.728
  102   2HB   TYR  13          2HB       TYR  13   1.419   2.513   5.722
  103    HD1  TYR  13           HD2      TYR  13   2.004   5.160   2.932
  104    HD2  TYR  13           HD1      TYR  13   3.093   1.301   4.535
  105    HE1  TYR  13           HE2      TYR  13   3.807   5.002   1.356
  106    HE2  TYR  13           HE1      TYR  13   4.932   1.235   2.981
  107    HH   TYR  13           HH       TYR  13   5.729   3.870   0.855
  108    HA   HYP  14           HA       PRO  14   1.726   8.530   6.090
  109   1HB   HYP  14          1HB       PRO  14   3.235   6.088   5.037
  110   2HB   HYP  14          2HB       PRO  14   4.121   7.437   5.733
  111   1HD   HYP  14          1HD       PRO  14   1.197   4.963   7.332
  112   2HD   HYP  14          2HD       PRO  14   0.854   6.583   8.003
  113    HOD  HYP  14           HG2      PRO  14   4.153   7.435   8.124
  114    HG   HYP  14           HG       PRO  14   3.457   5.391   7.388
  115    H    GLY  15           H        GLY  15   0.116   8.165   3.982
  116   1HA   GLY  15          1HA       GLY  15  -0.402   9.959   2.425
  117   2HA   GLY  15          2HA       GLY  15   1.496  10.054   2.144
  118    H    CYS  16           H        CYS  16  -0.862   7.572   2.140
  119    HA   CYS  16           HA       CYS  16  -0.338   6.683  -0.825
  120   1HB   CYS  16          1HB       CYS  16   0.420   5.081   0.931
  121   2HB   CYS  16          2HB       CYS  16  -1.122   5.175   1.843
  122    H    SER  17           H        SER  17  -2.836   7.656   1.337
  123    HA   SER  17           HA       SER  17  -3.821   5.182   1.297
  124   1HB   SER  17          2HB       SER  17  -5.475   5.881   3.038
  125   2HB   SER  17          1HB       SER  17  -3.950   6.714   3.274
  126    HG   SER  17           HG       SER  17  -5.743   8.100   3.369
  127    H    SER  18           H        SER  18  -4.647   6.741  -0.962
  128    HA   SER  18           HA       SER  18  -7.404   5.644  -1.757
  129   1HB   SER  18          2HB       SER  18  -6.568   7.782  -2.837
  130   2HB   SER  18          1HB       SER  18  -5.210   6.878  -3.533
  131    HG   SER  18           HG       SER  18  -6.976   7.104  -4.941
  132    H    ALA  19           H        ALA  19  -4.121   4.500  -1.857
  133    HA   ALA  19           HA       ALA  19  -4.069   2.913  -4.098
  134   1HB   ALA  19          1HB       ALA  19  -2.060   3.450  -2.710
  135   2HB   ALA  19          2HB       ALA  19  -2.504   2.151  -1.598
  136   3HB   ALA  19          3HB       ALA  19  -2.072   1.756  -3.260
  137    H    SER  20           H        SER  20  -6.307   1.968  -3.796
  138    HA   SER  20           HA       SER  20  -6.907  -0.536  -2.749
  139   1HB   SER  20          2HB       SER  20  -7.537   0.258  -5.653
  140   2HB   SER  20          1HB       SER  20  -8.240  -0.982  -4.602
  141    HG   SER  20           HG       SER  20  -9.442   0.975  -4.591
  142    H    CYS  21           H        CYS  21  -4.446  -0.199  -5.098
  143    HA   CYS  21           HA       CYS  21  -4.458  -2.356  -6.830
  144   1HB   CYS  21          1HB       CYS  21  -2.196  -2.124  -7.082
  145   2HB   CYS  21          2HB       CYS  21  -2.636  -0.499  -6.701
  146    H    CYS  22           H        CYS  22  -4.524  -3.095  -3.674
  147    HA   CYS  22           HA       CYS  22  -3.262  -5.876  -3.756
  148   1HB   CYS  22          1HB       CYS  22  -2.812  -4.760  -1.827
  149   2HB   CYS  22          2HB       CYS  22  -4.480  -4.133  -1.478
  150    H    GLN  23           H        GLN  23  -6.528  -4.832  -2.821
  151    HA   GLN  23           HA       GLN  23  -8.516  -6.444  -3.194
  152   1HB   GLN  23          1HB       GLN  23  -8.033  -3.856  -4.630
  153   2HB   GLN  23          2HB       GLN  23  -9.721  -4.543  -3.998
  154   1HG   GLN  23          1HG       GLN  23  -7.435  -3.515  -2.216
  155   2HG   GLN  23          2HG       GLN  23  -8.647  -2.469  -2.857
  156   1HE2  GLN  23          1HE2      GLN  23 -11.158  -3.675  -0.483
  157   2HE2  GLN  23          2HE2      GLN  23 -10.816  -2.669  -1.979
  158    H    ARG  24           H        ARG  24  -9.884  -7.208  -4.919
  159    HA   ARG  24           HA       ARG  24  -8.853  -7.280  -7.759
  160   1HB   ARG  24          2HB       ARG  24  -9.532  -9.794  -6.041
  161   2HB   ARG  24          1HB       ARG  24  -9.730  -9.759  -7.750
  162   1HG   ARG  24          2HG       ARG  24  -7.272  -9.231  -8.079
  163   2HG   ARG  24          1HG       ARG  24  -7.071  -9.252  -6.335
  164   1HD   ARG  24          1HD       ARG  24  -6.279 -11.361  -6.996
  165   2HD   ARG  24          2HD       ARG  24  -7.873 -11.741  -6.358
  166    HE   ARG  24           HE       ARG  24  -8.229 -11.358  -9.194
  167   1HH1  ARG  24          1HH2      ARG  24  -6.337 -13.695  -7.210
  168   2HH1  ARG  24          2HH2      ARG  24  -6.459 -14.916  -8.574
  169   1HH2  ARG  24          2HH1      ARG  24  -8.272 -12.833 -10.615
  170   2HH2  ARG  24          1HH1      ARG  24  -7.470 -14.462 -10.348
  171   1HN   NH2  25          1HC       ARG  24 -12.318  -6.591  -8.377
  172   2HN   NH2  25          2HC       ARG  24 -10.552  -6.395  -8.831
   
  No H/Q in entry =         172
  Start of MODEL    9
    1   1H    HIS   1          2H        HIS   1   9.209   5.474   4.133
    2   2H    HIS   1          3H        HIS   1   7.561   5.582   4.179
    3   3H    HIS   1          1H        HIS   1   8.401   5.183   5.545
    4    HA   HIS   1           HA       HIS   1   9.202   3.147   4.549
    5   1HB   HIS   1          2HB       HIS   1   6.127   3.358   4.189
    6   2HB   HIS   1          1HB       HIS   1   6.816   1.903   4.761
    7    HD1  HIS   1           HD1      HIS   1   4.664   2.184   6.367
    8    HD2  HIS   1           HD2      HIS   1   8.283   4.283   7.275
    9    HE1  HIS   1           HE1      HIS   1   4.709   2.855   8.861
   10    HE2  HIS   1           HE2      HIS   1   6.868   4.097   9.516
   11    HA   HYP   2           HA       PRO   2   9.187   2.574  -0.013
   12   1HB   HYP   2          1HB       PRO   2   6.792   0.918  -0.630
   13   2HB   HYP   2          2HB       PRO   2   8.465   0.509  -0.900
   14   1HD   HYP   2          1HD       PRO   2   6.566   1.087   2.542
   15   2HD   HYP   2          2HD       PRO   2   8.233   0.718   3.133
   16    HOD  HYP   2           HG2      PRO   2   9.811   0.292   1.233
   17    HG   HYP   2           HG       PRO   2   7.180  -0.742   1.112
   18    HA   HYP   3           HA       PRO   3   5.209   4.576  -2.408
   19   1HB   HYP   3          1HB       PRO   3   5.375   1.820  -3.624
   20   2HB   HYP   3          2HB       PRO   3   4.811   3.304  -4.368
   21   1HD   HYP   3          1HD       PRO   3   7.959   1.791  -2.841
   22   2HD   HYP   3          2HD       PRO   3   8.778   3.399  -2.594
   23    HOD  HYP   3           HG2      PRO   3   6.898   5.082  -3.680
   24    HG   HYP   3           HG       PRO   3   7.548   2.761  -5.201
   25    H    CYS   4           H        CYS   4   2.923   4.124  -2.207
   26    HA   CYS   4           HA       CYS   4   1.658   2.436  -0.211
   27   1HB   CYS   4          2HB       CYS   4   0.536   4.300  -1.613
   28   2HB   CYS   4          1HB       CYS   4   0.274   2.985  -2.897
   29    H    CYS   5           H        CYS   5   2.296   1.506  -3.545
   30    HA   CYS   5           HA       CYS   5   1.533  -1.473  -2.835
   31   1HB   CYS   5          1HB       CYS   5   0.793   0.048  -5.020
   32   2HB   CYS   5          2HB       CYS   5   2.197  -0.921  -5.730
   33    H    LEU   6           H        LEU   6   2.908  -3.265  -3.584
   34    HA   LEU   6           HA       LEU   6   5.800  -2.914  -4.217
   35   1HB   LEU   6          2HB       LEU   6   4.508  -3.508  -1.649
   36   2HB   LEU   6          1HB       LEU   6   4.745  -4.993  -2.354
   37    HG   LEU   6           HG       LEU   6   7.319  -4.117  -2.484
   38   1HD1  LEU   6          3HD1      LEU   6   6.904  -1.803  -1.770
   39   2HD1  LEU   6          1HD1      LEU   6   6.306  -2.393  -0.207
   40   3HD1  LEU   6          2HD1      LEU   6   8.016  -2.641  -0.663
   41   1HD2  LEU   6          1HD2      LEU   6   6.717  -6.119  -1.446
   42   2HD2  LEU   6          2HD2      LEU   6   7.874  -5.218  -0.450
   43   3HD2  LEU   6          3HD2      LEU   6   6.119  -5.250  -0.009
   44    H    TYR   7           H        TYR   7   6.460  -4.982  -5.059
   45    HA   TYR   7           HA       TYR   7   4.977  -6.413  -6.874
   46   1HB   TYR   7          1HB       TYR   7   7.101  -8.027  -5.711
   47   2HB   TYR   7          2HB       TYR   7   6.661  -7.875  -7.367
   48    HD1  TYR   7           HD1      TYR   7   7.491  -5.848  -8.732
   49    HD2  TYR   7           HD2      TYR   7   8.817  -6.527  -4.686
   50    HE1  TYR   7           HE1      TYR   7   9.280  -4.228  -9.008
   51    HE2  TYR   7           HE2      TYR   7  10.578  -4.911  -5.005
   52    HH   TYR   7           HH       TYR   7  11.001  -3.202  -8.097
   53    H    GLY   8           H        GLY   8   4.959  -6.925  -3.823
   54   1HA   GLY   8          1HA       GLY   8   3.531  -9.586  -3.757
   55   2HA   GLY   8          2HA       GLY   8   5.032  -9.185  -2.824
   56    H    LYS   9           H        LYS   9   3.764  -6.631  -1.525
   57    HA   LYS   9           HA       LYS   9   1.607  -7.998   0.221
   58   1HB   LYS   9          2HB       LYS   9   4.046  -8.658   1.046
   59   2HB   LYS   9          1HB       LYS   9   4.221  -6.994   1.506
   60   1HG   LYS   9          1HG       LYS   9   3.546  -7.849   3.515
   61   2HG   LYS   9          2HG       LYS   9   1.990  -7.305   2.929
   62   1HD   LYS   9          2HD       LYS   9   1.460  -9.676   2.165
   63   2HD   LYS   9          1HD       LYS   9   3.026 -10.215   2.771
   64   1HE   LYS   9          2HE       LYS   9   2.354  -9.541   5.123
   65   2HE   LYS   9          1HE       LYS   9   0.779  -8.999   4.514
   66   1HZ   LYS   9          2HZ       LYS   9   1.833 -11.781   4.299
   67   2HZ   LYS   9          1HZ       LYS   9   0.671 -11.266   5.355
   68   3HZ   LYS   9          3HZ       LYS   9   0.366 -11.276   3.732
   69    H    CYS  10           H        CYS  10   0.220  -6.296   1.045
   70    HA   CYS  10           HA       CYS  10   0.089  -3.971   0.140
   71   1HB   CYS  10          2HB       CYS  10  -1.276  -5.281   2.605
   72   2HB   CYS  10          1HB       CYS  10  -1.825  -4.222   1.344
   73    H    ARG  11           H        ARG  11   1.485  -1.753   1.399
   74    HA   ARG  11           HA       ARG  11   0.461  -1.243   3.822
   75   1HB   ARG  11          2HB       ARG  11   1.805   0.694   3.385
   76   2HB   ARG  11          1HB       ARG  11   2.551  -0.722   3.554
   77   1HG   ARG  11          2HG       ARG  11   2.146   0.547   0.806
   78   2HG   ARG  11          1HG       ARG  11   3.458   1.038   1.815
   79   1HD   ARG  11          2HD       ARG  11   3.098  -1.872   0.782
   80   2HD   ARG  11          1HD       ARG  11   4.184  -0.663   0.060
   81    HE   ARG  11           HE       ARG  11   4.640  -0.514   2.774
   82   1HH1  ARG  11          2HH1      ARG  11   4.584  -3.567   0.903
   83   2HH1  ARG  11          1HH1      ARG  11   5.430  -4.436   2.280
   84   1HH2  ARG  11          1HH2      ARG  11   5.842  -1.589   4.155
   85   2HH2  ARG  11          2HH2      ARG  11   6.086  -3.399   3.977
   86    H    ARG  12           H        ARG  12  -1.129   0.077   4.039
   87    HA   ARG  12           HA       ARG  12  -2.205   1.923   2.140
   88   1HB   ARG  12          1HB       ARG  12  -4.580   1.679   2.763
   89   2HB   ARG  12          2HB       ARG  12  -3.846   0.109   2.390
   90   1HG   ARG  12          2HG       ARG  12  -3.649  -0.317   4.857
   91   2HG   ARG  12          1HG       ARG  12  -4.453   1.236   5.119
   92   1HD   ARG  12          2HD       ARG  12  -6.218  -0.340   5.405
   93   2HD   ARG  12          1HD       ARG  12  -6.507   0.285   3.786
   94    HE   ARG  12           HE       ARG  12  -5.495  -2.483   4.510
   95   1HH1  ARG  12          1HH2      ARG  12  -6.370  -0.331   1.758
   96   2HH1  ARG  12          2HH2      ARG  12  -6.394  -1.795   0.653
   97   1HH2  ARG  12          2HH1      ARG  12  -5.562  -4.006   3.146
   98   2HH2  ARG  12          1HH1      ARG  12  -5.972  -3.712   1.382
   99    H    TYR  13           H        TYR  13  -0.590   3.271   2.889
  100    HA   TYR  13           HA       TYR  13  -0.546   4.031   5.844
  101   1HB   TYR  13          1HB       TYR  13   2.071   4.211   5.215
  102   2HB   TYR  13          2HB       TYR  13   1.531   2.654   5.018
  103    HD1  TYR  13           HD1      TYR  13   0.582   4.787   2.140
  104    HD2  TYR  13           HD2      TYR  13   3.952   2.802   3.902
  105    HE1  TYR  13           HE1      TYR  13   1.940   5.339   0.215
  106    HE2  TYR  13           HE2      TYR  13   5.284   3.414   2.012
  107    HH   TYR  13           HH       TYR  13   5.363   4.871   0.159
  108    HA   HYP  14           HA       PRO  14   0.983   8.716   5.840
  109   1HB   HYP  14          1HB       PRO  14   2.837   6.672   4.516
  110   2HB   HYP  14          2HB       PRO  14   3.490   8.152   5.217
  111   1HD   HYP  14          1HD       PRO  14   1.307   5.043   6.906
  112   2HD   HYP  14          2HD       PRO  14   0.746   6.527   7.736
  113    HOD  HYP  14           HG2      PRO  14   2.221   8.359   7.623
  114    HG   HYP  14           HG       PRO  14   3.442   5.933   6.778
  115    H    GLY  15           H        GLY  15  -0.712   8.079   3.804
  116   1HA   GLY  15          1HA       GLY  15  -1.714   9.794   2.412
  117   2HA   GLY  15          2HA       GLY  15   0.090  10.348   2.054
  118    H    CYS  16           H        CYS  16  -1.587   7.371   1.948
  119    HA   CYS  16           HA       CYS  16  -1.236   6.872  -1.132
  120   1HB   CYS  16          1HB       CYS  16  -0.464   5.152   0.331
  121   2HB   CYS  16          2HB       CYS  16  -1.901   5.151   1.438
  122    H    SER  17           H        SER  17  -3.583   7.753   1.145
  123    HA   SER  17           HA       SER  17  -4.656   5.315   0.999
  124   1HB   SER  17          1HB       SER  17  -4.649   6.757   3.072
  125   2HB   SER  17          2HB       SER  17  -6.008   7.695   2.426
  126    HG   SER  17           HG       SER  17  -5.966   4.913   3.010
  127    H    SER  18           H        SER  18  -5.560   7.140  -1.056
  128    HA   SER  18           HA       SER  18  -8.201   5.949  -2.048
  129   1HB   SER  18          2HB       SER  18  -7.750   7.005  -4.186
  130   2HB   SER  18          1HB       SER  18  -7.356   8.192  -2.934
  131    HG   SER  18           HG       SER  18  -5.506   6.520  -4.240
  132    H    ALA  19           H        ALA  19  -4.846   5.628  -2.820
  133    HA   ALA  19           HA       ALA  19  -4.984   3.579  -4.703
  134   1HB   ALA  19          2HB       ALA  19  -3.006   4.963  -4.569
  135   2HB   ALA  19          1HB       ALA  19  -2.400   3.986  -3.198
  136   3HB   ALA  19          3HB       ALA  19  -2.653   3.221  -4.758
  137    H    SER  20           H        SER  20  -6.383   2.195  -3.382
  138    HA   SER  20           HA       SER  20  -5.803   0.027  -1.707
  139   1HB   SER  20          1HB       SER  20  -7.669  -0.918  -2.425
  140   2HB   SER  20          2HB       SER  20  -7.854   0.094  -3.842
  141    HG   SER  20           HG       SER  20  -6.490  -2.333  -3.686
  142    H    CYS  21           H        CYS  21  -4.778  -0.053  -4.887
  143    HA   CYS  21           HA       CYS  21  -4.001  -2.275  -6.201
  144   1HB   CYS  21          1HB       CYS  21  -2.736  -0.378  -6.649
  145   2HB   CYS  21          2HB       CYS  21  -1.983  -0.300  -5.052
  146    H    CYS  22           H        CYS  22  -4.604  -3.020  -3.428
  147    HA   CYS  22           HA       CYS  22  -2.910  -5.576  -3.260
  148   1HB   CYS  22          1HB       CYS  22  -2.240  -4.366  -1.515
  149   2HB   CYS  22          2HB       CYS  22  -3.821  -3.482  -1.190
  150    H    GLN  23           H        GLN  23  -5.904  -4.965  -1.604
  151    HA   GLN  23           HA       GLN  23  -8.000  -6.422  -1.800
  152   1HB   GLN  23          1HB       GLN  23  -7.627  -3.722  -3.044
  153   2HB   GLN  23          2HB       GLN  23  -9.216  -4.407  -2.192
  154   1HG   GLN  23          1HG       GLN  23  -6.606  -3.585  -0.821
  155   2HG   GLN  23          2HG       GLN  23  -7.966  -2.529  -1.039
  156   1HE2  GLN  23          2HE2      GLN  23  -9.867  -4.080   1.654
  157   2HE2  GLN  23          1HE2      GLN  23  -9.880  -2.909   0.241
  158    H    ARG  24           H        ARG  24  -9.678  -6.961  -3.291
  159    HA   ARG  24           HA       ARG  24  -9.256  -6.715  -6.270
  160   1HB   ARG  24          1HB       ARG  24  -8.205  -8.947  -5.650
  161   2HB   ARG  24          2HB       ARG  24  -9.744  -9.426  -4.920
  162   1HG   ARG  24          2HG       ARG  24 -10.791  -9.222  -7.273
  163   2HG   ARG  24          1HG       ARG  24  -9.206  -8.782  -7.910
  164   1HD   ARG  24          2HD       ARG  24  -8.295 -11.041  -7.190
  165   2HD   ARG  24          1HD       ARG  24  -9.892 -11.477  -6.555
  166    HE   ARG  24           HE       ARG  24 -10.413 -10.719  -9.242
  167   1HH1  ARG  24          2HH2      ARG  24  -8.274 -13.253  -7.834
  168   2HH1  ARG  24          1HH2      ARG  24  -8.473 -14.239  -9.368
  169   1HH2  ARG  24          1HH1      ARG  24 -10.528 -11.942 -10.881
  170   2HH2  ARG  24          2HH1      ARG  24  -9.649 -13.551 -10.955
  171   1HN   NH2  25          1HC       ARG  24 -11.117  -5.538  -6.577
  172   2HN   NH2  25          2HC       ARG  24 -12.746  -5.910  -5.819
   
  No H/Q in entry =         172
  Start of MODEL   10
    1   1H    HIS   1          3H        HIS   1   9.329   6.431   3.987
    2   2H    HIS   1          1H        HIS   1   7.686   6.408   4.151
    3   3H    HIS   1          2H        HIS   1   8.650   6.109   5.459
    4    HA   HIS   1           HA       HIS   1   9.543   4.127   4.445
    5   1HB   HIS   1          2HB       HIS   1   6.452   4.039   4.269
    6   2HB   HIS   1          1HB       HIS   1   7.298   2.687   4.875
    7    HD1  HIS   1           HD1      HIS   1   5.122   2.963   6.479
    8    HD2  HIS   1           HD2      HIS   1   8.688   5.200   7.243
    9    HE1  HIS   1           HE1      HIS   1   5.201   3.706   8.962
   10    HE2  HIS   1           HE2      HIS   1   7.334   5.038   9.525
   11    HA   HYP   2           HA       PRO   2   9.168   3.502  -0.110
   12   1HB   HYP   2          1HB       PRO   2   7.022   1.501  -0.506
   13   2HB   HYP   2          2HB       PRO   2   8.721   1.318  -0.864
   14   1HD   HYP   2          1HD       PRO   2   6.992   1.753   2.681
   15   2HD   HYP   2          2HD       PRO   2   8.726   1.587   3.161
   16    HOD  HYP   2           HG2      PRO   2  10.209   1.306   1.159
   17    HG   HYP   2           HG       PRO   2   7.720  -0.034   1.244
   18    HA   HYP   3           HA       PRO   3   4.812   4.835  -2.256
   19   1HB   HYP   3          1HB       PRO   3   5.384   2.124  -3.447
   20   2HB   HYP   3          2HB       PRO   3   4.574   3.497  -4.180
   21   1HD   HYP   3          1HD       PRO   3   7.964   2.539  -2.756
   22   2HD   HYP   3          2HD       PRO   3   8.512   4.263  -2.558
   23    HOD  HYP   3           HG2      PRO   3   7.609   5.518  -4.580
   24    HG   HYP   3           HG       PRO   3   7.325   3.383  -5.115
   25    H    CYS   4           H        CYS   4   2.594   3.914  -2.049
   26    HA   CYS   4           HA       CYS   4   1.722   1.927  -0.146
   27   1HB   CYS   4          2HB       CYS   4   0.337   3.672  -1.447
   28   2HB   CYS   4          1HB       CYS   4   0.243   2.383  -2.789
   29    H    CYS   5           H        CYS   5   2.348   1.295  -3.513
   30    HA   CYS   5           HA       CYS   5   1.535  -1.755  -3.165
   31   1HB   CYS   5          1HB       CYS   5   0.645   0.238  -4.968
   32   2HB   CYS   5          2HB       CYS   5   1.978  -0.635  -5.923
   33    H    LEU   6           H        LEU   6   4.193  -0.469  -3.472
   34    HA   LEU   6           HA       LEU   6   5.682  -2.433  -5.166
   35   1HB   LEU   6          2HB       LEU   6   6.047  -0.013  -5.092
   36   2HB   LEU   6          1HB       LEU   6   6.747  -0.158  -3.484
   37    HG   LEU   6           HG       LEU   6   8.025  -1.234  -5.798
   38   1HD1  LEU   6          3HD1      LEU   6   7.743   1.186  -6.198
   39   2HD1  LEU   6          2HD1      LEU   6   8.531   1.532  -4.646
   40   3HD1  LEU   6          1HD1      LEU   6   9.463   0.811  -5.993
   41   1HD2  LEU   6          3HD2      LEU   6   8.989  -2.166  -3.681
   42   2HD2  LEU   6          2HD2      LEU   6  10.198  -1.186  -4.518
   43   3HD2  LEU   6          1HD2      LEU   6   9.308  -0.522  -3.113
   44    H    TYR   7           H        TYR   7   7.185  -3.830  -4.500
   45    HA   TYR   7           HA       TYR   7   8.180  -5.681  -3.388
   46   1HB   TYR   7          1HB       TYR   7   7.819  -4.039  -1.111
   47   2HB   TYR   7          2HB       TYR   7   8.651  -5.624  -0.946
   48    HD1  TYR   7           HD1      TYR   7  10.548  -5.769  -3.201
   49    HD2  TYR   7           HD2      TYR   7   9.586  -2.381  -0.723
   50    HE1  TYR   7           HE1      TYR   7  12.746  -4.805  -3.618
   51    HE2  TYR   7           HE2      TYR   7  11.773  -1.465  -1.162
   52    HH   TYR   7           HH       TYR   7  14.125  -3.127  -3.234
   53    H    GLY   8           H        GLY   8   5.303  -4.973  -2.920
   54   1HA   GLY   8          1HA       GLY   8   3.168  -6.252  -2.952
   55   2HA   GLY   8          2HA       GLY   8   4.445  -7.465  -3.314
   56    H    LYS   9           H        LYS   9   4.270  -5.879  -0.419
   57    HA   LYS   9           HA       LYS   9   2.021  -7.673   0.850
   58   1HB   LYS   9          1HB       LYS   9   4.232  -8.524   1.754
   59   2HB   LYS   9          2HB       LYS   9   4.495  -6.966   2.528
   60   1HG   LYS   9          2HG       LYS   9   2.312  -7.295   3.824
   61   2HG   LYS   9          1HG       LYS   9   2.084  -8.825   3.016
   62   1HD   LYS   9          1HD       LYS   9   2.923  -9.542   5.066
   63   2HD   LYS   9          2HD       LYS   9   4.353  -9.617   4.075
   64   1HE   LYS   9          1HE       LYS   9   5.130  -8.707   6.106
   65   2HE   LYS   9          2HE       LYS   9   5.016  -7.282   5.074
   66   1HZ   LYS   9          1HZ       LYS   9   2.992  -8.115   7.110
   67   2HZ   LYS   9          2HZ       LYS   9   4.078  -6.881   7.273
   68   3HZ   LYS   9          3HZ       LYS   9   2.867  -6.773   6.155
   69    H    CYS  10           H        CYS  10   0.523  -5.981   0.995
   70    HA   CYS  10           HA       CYS  10   1.175  -3.445   0.277
   71   1HB   CYS  10          2HB       CYS  10  -0.738  -4.496  -0.424
   72   2HB   CYS  10          1HB       CYS  10  -1.513  -4.495   1.149
   73    H    ARG  11           H        ARG  11   2.075  -1.515   2.064
   74    HA   ARG  11           HA       ARG  11   0.901  -1.159   4.401
   75   1HB   ARG  11          2HB       ARG  11   2.107   0.871   4.187
   76   2HB   ARG  11          1HB       ARG  11   2.958  -0.489   4.163
   77   1HG   ARG  11          2HG       ARG  11   2.386   0.969   1.549
   78   2HG   ARG  11          1HG       ARG  11   3.620   1.599   2.617
   79   1HD   ARG  11          2HD       ARG  11   3.658  -1.266   1.395
   80   2HD   ARG  11          1HD       ARG  11   4.553   0.106   0.726
   81    HE   ARG  11           HE       ARG  11   5.035   0.017   3.512
   82   1HH1  ARG  11          1HH2      ARG  11   5.786  -2.329   0.877
   83   2HH1  ARG  11          2HH2      ARG  11   6.966  -3.213   1.969
   84   1HH2  ARG  11          2HH1      ARG  11   6.540  -1.045   4.602
   85   2HH2  ARG  11          1HH1      ARG  11   7.358  -2.538   3.915
   86    H    ARG  12           H        ARG  12  -0.803  -0.075   4.719
   87    HA   ARG  12           HA       ARG  12  -2.180   1.793   3.025
   88   1HB   ARG  12          1HB       ARG  12  -4.396   1.464   4.072
   89   2HB   ARG  12          2HB       ARG  12  -3.688  -0.041   3.454
   90   1HG   ARG  12          1HG       ARG  12  -3.062  -0.682   5.730
   91   2HG   ARG  12          2HG       ARG  12  -3.770   0.809   6.368
   92   1HD   ARG  12          1HD       ARG  12  -5.448  -1.298   4.834
   93   2HD   ARG  12          2HD       ARG  12  -5.161  -1.411   6.563
   94    HE   ARG  12           HE       ARG  12  -6.746   0.810   5.205
   95   1HH1  ARG  12          2HH1      ARG  12  -5.920  -0.754   8.341
   96   2HH1  ARG  12          1HH1      ARG  12  -7.225   0.244   9.157
   97   1HH2  ARG  12          2HH2      ARG  12  -8.173   1.834   6.264
   98   2HH2  ARG  12          1HH2      ARG  12  -8.398   1.593   8.069
   99    H    TYR  13           H        TYR  13  -0.510   3.176   3.566
  100    HA   TYR  13           HA       TYR  13  -0.171   4.037   6.463
  101   1HB   TYR  13          1HB       TYR  13   2.327   4.187   5.683
  102   2HB   TYR  13          2HB       TYR  13   1.818   2.654   5.465
  103    HD1  TYR  13           HD2      TYR  13   0.620   3.400   2.338
  104    HD2  TYR  13           HD1      TYR  13   4.269   4.152   4.475
  105    HE1  TYR  13           HE2      TYR  13   1.688   4.242   0.327
  106    HE2  TYR  13           HE1      TYR  13   5.304   4.833   2.457
  107    HH   TYR  13           HH       TYR  13   4.877   5.645   0.335
  108    HA   HYP  14           HA       PRO  14   1.090   8.726   6.125
  109   1HB   HYP  14          1HB       PRO  14   3.208   6.773   4.932
  110   2HB   HYP  14          2HB       PRO  14   3.614   8.374   5.477
  111   1HD   HYP  14          1HD       PRO  14   1.764   5.139   7.323
  112   2HD   HYP  14          2HD       PRO  14   1.110   6.573   8.156
  113    HOD  HYP  14           HG2      PRO  14   2.340   8.588   7.892
  114    HG   HYP  14           HG       PRO  14   3.826   6.269   7.183
  115    H    GLY  15           H        GLY  15   0.396   6.924   3.129
  116   1HA   GLY  15          2HA       GLY  15   0.314   9.300   1.601
  117   2HA   GLY  15          1HA       GLY  15   1.934   8.232   1.407
  118    H    CYS  16           H        CYS  16  -1.288   6.772   1.824
  119    HA   CYS  16           HA       CYS  16  -1.176   5.708  -1.116
  120   1HB   CYS  16          1HB       CYS  16  -0.473   4.198   0.656
  121   2HB   CYS  16          2HB       CYS  16  -1.972   4.391   1.627
  122    H    SER  17           H        SER  17  -3.274   7.141   1.301
  123    HA   SER  17           HA       SER  17  -4.662   4.876   1.319
  124   1HB   SER  17          1HB       SER  17  -4.694   6.615   3.201
  125   2HB   SER  17          2HB       SER  17  -5.949   7.496   2.314
  126    HG   SER  17           HG       SER  17  -6.746   6.126   3.935
  127    H    SER  18           H        SER  18  -5.419   6.792  -0.824
  128    HA   SER  18           HA       SER  18  -8.179   5.760  -1.742
  129   1HB   SER  18          1HB       SER  18  -6.213   7.567  -3.257
  130   2HB   SER  18          2HB       SER  18  -7.782   7.036  -3.879
  131    HG   SER  18           HG       SER  18  -8.751   7.966  -2.040
  132    H    ALA  19           H        ALA  19  -4.796   5.161  -2.543
  133    HA   ALA  19           HA       ALA  19  -4.978   3.986  -4.999
  134   1HB   ALA  19          1HB       ALA  19  -2.914   4.865  -4.023
  135   2HB   ALA  19          3HB       ALA  19  -2.772   3.430  -2.976
  136   3HB   ALA  19          2HB       ALA  19  -2.665   3.252  -4.732
  137    H    SER  20           H        SER  20  -6.849   2.566  -4.525
  138    HA   SER  20           HA       SER  20  -6.961   0.047  -3.409
  139   1HB   SER  20          2HB       SER  20  -8.102   0.669  -6.192
  140   2HB   SER  20          1HB       SER  20  -8.578  -0.542  -4.973
  141    HG   SER  20           HG       SER  20  -9.083   1.130  -3.536
  142    H    CYS  21           H        CYS  21  -4.909   0.503  -5.862
  143    HA   CYS  21           HA       CYS  21  -4.056  -1.819  -7.239
  144   1HB   CYS  21          2HB       CYS  21  -2.616   0.203  -6.926
  145   2HB   CYS  21          1HB       CYS  21  -2.259  -0.297  -5.255
  146    H    CYS  22           H        CYS  22  -4.617  -1.987  -3.799
  147    HA   CYS  22           HA       CYS  22  -2.986  -4.482  -3.321
  148   1HB   CYS  22          2HB       CYS  22  -4.320  -2.366  -1.489
  149   2HB   CYS  22          1HB       CYS  22  -3.537  -3.980  -0.965
  150    H    GLN  23           H        GLN  23  -6.430  -3.651  -2.477
  151    HA   GLN  23           HA       GLN  23  -8.060  -5.655  -2.477
  152   1HB   GLN  23          1HB       GLN  23  -8.072  -3.323  -4.389
  153   2HB   GLN  23          2HB       GLN  23  -9.588  -4.159  -3.509
  154   1HG   GLN  23          2HG       GLN  23  -7.989  -2.989  -1.475
  155   2HG   GLN  23          1HG       GLN  23  -7.732  -1.881  -2.759
  156   1HE2  GLN  23          1HE2      GLN  23 -11.124  -0.531  -2.526
  157   2HE2  GLN  23          2HE2      GLN  23  -9.606  -0.658  -3.550
  158    H    ARG  24           H        ARG  24  -9.278  -6.915  -4.008
  159    HA   ARG  24           HA       ARG  24  -8.250  -7.265  -6.835
  160   1HB   ARG  24          1HB       ARG  24  -6.949  -8.958  -5.460
  161   2HB   ARG  24          2HB       ARG  24  -8.476  -9.608  -4.890
  162   1HG   ARG  24          2HG       ARG  24  -7.777 -11.158  -6.513
  163   2HG   ARG  24          1HG       ARG  24  -9.001 -10.229  -7.346
  164   1HD   ARG  24          2HD       ARG  24  -7.317 -10.529  -8.973
  165   2HD   ARG  24          1HD       ARG  24  -7.065  -8.869  -8.445
  166    HE   ARG  24           HE       ARG  24  -4.979  -9.535  -7.333
  167   1HH1  ARG  24          1HH2      ARG  24  -6.458 -12.452  -8.838
  168   2HH1  ARG  24          2HH2      ARG  24  -4.860 -13.333  -8.646
  169   1HH2  ARG  24          2HH1      ARG  24  -3.271 -10.658  -7.191
  170   2HH2  ARG  24          1HH1      ARG  24  -3.200 -12.393  -7.786
  171   1HN   NH2  25          1HC       ARG  24 -10.843  -8.849  -4.719
  172   2HN   NH2  25          2HC       ARG  24 -12.154  -8.339  -5.896
   
  No H/Q in entry =         172
  Start of MODEL   11
    1   1H    HIS   1          2H        HIS   1   8.728   7.176   3.807
    2   2H    HIS   1          1H        HIS   1   7.100   6.933   3.946
    3   3H    HIS   1          3H        HIS   1   8.050   6.959   5.298
    4    HA   HIS   1           HA       HIS   1   9.253   5.001   4.583
    5   1HB   HIS   1          2HB       HIS   1   6.195   4.515   4.419
    6   2HB   HIS   1          1HB       HIS   1   7.202   3.337   5.140
    7    HD1  HIS   1           HD1      HIS   1   5.158   3.388   6.895
    8    HD2  HIS   1           HD2      HIS   1   8.231   6.361   7.141
    9    HE1  HIS   1           HE1      HIS   1   5.208   4.431   9.253
   10    HE2  HIS   1           HE2      HIS   1   7.045   6.217   9.514
   11    HA   HYP   2           HA       PRO   2   9.331   3.645   0.245
   12   1HB   HYP   2          1HB       PRO   2   7.277   1.500  -0.055
   13   2HB   HYP   2          2HB       PRO   2   8.998   1.379  -0.288
   14   1HD   HYP   2          1HD       PRO   2   7.034   2.147   3.091
   15   2HD   HYP   2          2HD       PRO   2   8.751   2.222   3.640
   16    HOD  HYP   2           HG2      PRO   2  10.036   0.595   2.831
   17    HG   HYP   2           HG       PRO   2   7.970   0.261   1.937
   18    HA   HYP   3           HA       PRO   3   5.154   4.512  -2.407
   19   1HB   HYP   3          1HB       PRO   3   5.738   1.670  -3.213
   20   2HB   HYP   3          2HB       PRO   3   5.004   2.963  -4.138
   21   1HD   HYP   3          1HD       PRO   3   8.289   2.137  -2.422
   22   2HD   HYP   3          2HD       PRO   3   8.867   3.868  -2.431
   23    HOD  HYP   3           HG2      PRO   3   6.793   5.070  -3.754
   24    HG   HYP   3           HG       PRO   3   7.801   2.662  -4.903
   25    H    CYS   4           H        CYS   4   2.994   3.789  -2.107
   26    HA   CYS   4           HA       CYS   4   1.900   2.055  -0.053
   27   1HB   CYS   4          2HB       CYS   4   0.634   3.752  -1.494
   28   2HB   CYS   4          1HB       CYS   4   0.583   2.430  -2.799
   29    H    CYS   5           H        CYS   5   2.558   1.107  -3.344
   30    HA   CYS   5           HA       CYS   5   1.266  -1.748  -2.883
   31   1HB   CYS   5          1HB       CYS   5   0.715   0.286  -4.745
   32   2HB   CYS   5          2HB       CYS   5   1.965  -0.742  -5.651
   33    H    LEU   6           H        LEU   6   4.115  -0.985  -3.158
   34    HA   LEU   6           HA       LEU   6   5.283  -3.288  -4.693
   35   1HB   LEU   6          1HB       LEU   6   6.075  -0.695  -4.490
   36   2HB   LEU   6          2HB       LEU   6   6.781  -1.221  -3.024
   37    HG   LEU   6           HG       LEU   6   8.260  -0.943  -4.810
   38   1HD1  LEU   6          1HD2      LEU   6   9.008  -2.624  -3.318
   39   2HD1  LEU   6          2HD2      LEU   6   8.591  -3.852  -4.545
   40   3HD1  LEU   6          3HD2      LEU   6   9.806  -2.585  -4.910
   41   1HD2  LEU   6          3HD1      LEU   6   6.787  -1.302  -6.818
   42   2HD2  LEU   6          1HD1      LEU   6   8.417  -1.967  -7.036
   43   3HD2  LEU   6          2HD1      LEU   6   7.052  -3.054  -6.649
   44    H    TYR   7           H        TYR   7   7.171  -4.150  -3.656
   45    HA   TYR   7           HA       TYR   7   8.229  -5.924  -2.406
   46   1HB   TYR   7          1HB       TYR   7   6.879  -4.541  -0.303
   47   2HB   TYR   7          2HB       TYR   7   8.075  -5.818   0.081
   48    HD1  TYR   7           HD1      TYR   7  10.515  -5.560  -0.843
   49    HD2  TYR   7           HD2      TYR   7   7.791  -2.230  -0.599
   50    HE1  TYR   7           HE1      TYR   7  12.384  -4.001  -0.858
   51    HE2  TYR   7           HE2      TYR   7   9.685  -0.721  -0.624
   52    HH   TYR   7           HH       TYR   7  13.022  -1.893  -0.817
   53    H    GLY   8           H        GLY   8   5.261  -5.992  -2.719
   54   1HA   GLY   8          2HA       GLY   8   3.752  -7.816  -3.227
   55   2HA   GLY   8          1HA       GLY   8   4.943  -8.971  -2.482
   56    H    LYS   9           H        LYS   9   4.260  -6.634  -0.247
   57    HA   LYS   9           HA       LYS   9   1.556  -7.864   0.759
   58   1HB   LYS   9          2HB       LYS   9   3.492  -8.993   1.976
   59   2HB   LYS   9          1HB       LYS   9   3.924  -7.439   2.681
   60   1HG   LYS   9          2HG       LYS   9   1.607  -7.319   3.735
   61   2HG   LYS   9          1HG       LYS   9   1.198  -8.867   3.015
   62   1HD   LYS   9          2HD       LYS   9   3.052  -9.978   4.329
   63   2HD   LYS   9          1HD       LYS   9   3.498  -8.443   5.057
   64   1HE   LYS   9          2HE       LYS   9   0.691  -9.717   5.423
   65   2HE   LYS   9          1HE       LYS   9   2.071 -10.092   6.442
   66   1HZ   LYS   9          3HZ       LYS   9   2.220  -7.758   7.091
   67   2HZ   LYS   9          2HZ       LYS   9   0.929  -7.364   6.139
   68   3HZ   LYS   9          1HZ       LYS   9   0.724  -8.369   7.434
   69    H    CYS  10           H        CYS  10   0.326  -5.944   0.730
   70    HA   CYS  10           HA       CYS  10   1.347  -3.519   0.104
   71   1HB   CYS  10          2HB       CYS  10  -0.710  -4.273  -0.651
   72   2HB   CYS  10          1HB       CYS  10  -1.481  -4.185   0.930
   73    H    ARG  11           H        ARG  11   2.369  -1.664   1.915
   74    HA   ARG  11           HA       ARG  11   1.229  -1.155   4.208
   75   1HB   ARG  11          2HB       ARG  11   2.444   0.887   3.830
   76   2HB   ARG  11          1HB       ARG  11   3.252  -0.483   3.967
   77   1HG   ARG  11          1HG       ARG  11   2.796   0.615   1.168
   78   2HG   ARG  11          2HG       ARG  11   4.027   1.354   2.160
   79   1HD   ARG  11          1HD       ARG  11   4.009  -1.621   1.330
   80   2HD   ARG  11          2HD       ARG  11   4.959  -0.339   0.539
   81    HE   ARG  11           HE       ARG  11   5.358  -0.144   3.331
   82   1HH1  ARG  11          1HH1      ARG  11   6.126  -2.765   0.971
   83   2HH1  ARG  11          2HH1      ARG  11   7.307  -3.523   2.154
   84   1HH2  ARG  11          2HH2      ARG  11   6.867  -1.088   4.538
   85   2HH2  ARG  11          1HH2      ARG  11   7.691  -2.643   4.017
   86    H    ARG  12           H        ARG  12  -0.453  -0.048   4.520
   87    HA   ARG  12           HA       ARG  12  -1.838   1.786   2.804
   88   1HB   ARG  12          1HB       ARG  12  -4.098   1.346   3.696
   89   2HB   ARG  12          2HB       ARG  12  -3.295  -0.127   3.116
   90   1HG   ARG  12          2HG       ARG  12  -2.793  -0.761   5.426
   91   2HG   ARG  12          1HG       ARG  12  -3.599   0.696   6.022
   92   1HD   ARG  12          1HD       ARG  12  -5.086  -1.473   4.376
   93   2HD   ARG  12          2HD       ARG  12  -4.933  -1.552   6.129
   94    HE   ARG  12           HE       ARG  12  -6.065   1.050   5.353
   95   1HH1  ARG  12          2HH1      ARG  12  -7.103  -2.366   5.832
   96   2HH1  ARG  12          1HH1      ARG  12  -8.815  -1.778   6.133
   97   1HH2  ARG  12          2HH2      ARG  12  -8.023   1.536   5.711
   98   2HH2  ARG  12          1HH2      ARG  12  -9.290   0.258   6.068
   99    H    TYR  13           H        TYR  13  -0.244   3.194   3.466
  100    HA   TYR  13           HA       TYR  13   0.032   3.883   6.408
  101   1HB   TYR  13          1HB       TYR  13   2.507   4.440   5.445
  102   2HB   TYR  13          2HB       TYR  13   2.155   2.822   5.307
  103    HD1  TYR  13           HD2      TYR  13   0.619   4.784   2.527
  104    HD2  TYR  13           HD1      TYR  13   4.371   3.255   3.987
  105    HE1  TYR  13           HE2      TYR  13   1.704   5.326   0.435
  106    HE2  TYR  13           HE1      TYR  13   5.403   3.834   1.945
  107    HH   TYR  13           HH       TYR  13   5.116   5.067  -0.057
  108    HA   HYP  14           HA       PRO  14   1.170   8.694   6.273
  109   1HB   HYP  14          1HB       PRO  14   3.183   6.748   4.888
  110   2HB   HYP  14          2HB       PRO  14   3.637   8.338   5.396
  111   1HD   HYP  14          1HD       PRO  14   1.945   5.091   7.290
  112   2HD   HYP  14          2HD       PRO  14   1.313   6.470   8.237
  113    HOD  HYP  14           HG2      PRO  14   3.316   7.530   8.859
  114    HG   HYP  14           HG       PRO  14   3.958   6.240   7.088
  115    H    GLY  15           H        GLY  15   0.309   6.990   3.231
  116   1HA   GLY  15          2HA       GLY  15   0.110   9.419   1.801
  117   2HA   GLY  15          1HA       GLY  15   1.785   8.449   1.561
  118    H    CYS  16           H        CYS  16  -1.321   6.772   1.869
  119    HA   CYS  16           HA       CYS  16  -1.117   5.883  -1.124
  120   1HB   CYS  16          1HB       CYS  16  -0.308   4.310   0.544
  121   2HB   CYS  16          2HB       CYS  16  -1.797   4.357   1.548
  122    H    SER  17           H        SER  17  -3.342   6.994   1.389
  123    HA   SER  17           HA       SER  17  -4.523   4.627   1.213
  124   1HB   SER  17          1HB       SER  17  -5.664   7.159   2.550
  125   2HB   SER  17          2HB       SER  17  -6.217   5.528   2.977
  126    HG   SER  17           HG       SER  17  -4.560   6.258   4.310
  127    H    SER  18           H        SER  18  -5.381   6.561  -0.816
  128    HA   SER  18           HA       SER  18  -8.125   5.503  -1.720
  129   1HB   SER  18          1HB       SER  18  -6.116   7.245  -3.256
  130   2HB   SER  18          2HB       SER  18  -7.702   6.753  -3.869
  131    HG   SER  18           HG       SER  18  -8.645   7.757  -2.055
  132    H    ALA  19           H        ALA  19  -4.713   4.816  -2.396
  133    HA   ALA  19           HA       ALA  19  -4.837   3.820  -4.939
  134   1HB   ALA  19          3HB       ALA  19  -2.732   4.410  -3.664
  135   2HB   ALA  19          1HB       ALA  19  -2.749   2.745  -3.011
  136   3HB   ALA  19          2HB       ALA  19  -2.612   3.004  -4.744
  137    H    SER  20           H        SER  20  -6.782   2.508  -4.543
  138    HA   SER  20           HA       SER  20  -6.928  -0.219  -3.905
  139   1HB   SER  20          1HB       SER  20  -8.801   0.716  -4.525
  140   2HB   SER  20          2HB       SER  20  -8.374   1.084  -6.276
  141    HG   SER  20           HG       SER  20  -8.903  -1.417  -5.037
  142    H    CYS  21           H        CYS  21  -5.174   0.544  -6.341
  143    HA   CYS  21           HA       CYS  21  -3.807  -1.784  -7.342
  144   1HB   CYS  21          2HB       CYS  21  -2.681   0.414  -7.009
  145   2HB   CYS  21          1HB       CYS  21  -2.420  -0.007  -5.295
  146    H    CYS  22           H        CYS  22  -4.624  -1.356  -3.795
  147    HA   CYS  22           HA       CYS  22  -3.357  -3.995  -3.038
  148   1HB   CYS  22          2HB       CYS  22  -4.161  -1.461  -1.476
  149   2HB   CYS  22          1HB       CYS  22  -3.639  -3.121  -0.780
  150    H    GLN  23           H        GLN  23  -6.542  -2.487  -2.108
  151    HA   GLN  23           HA       GLN  23  -8.480  -4.145  -1.745
  152   1HB   GLN  23          1HB       GLN  23  -8.230  -2.034  -3.874
  153   2HB   GLN  23          2HB       GLN  23  -9.816  -2.491  -2.874
  154   1HG   GLN  23          2HG       GLN  23  -7.300  -1.088  -1.747
  155   2HG   GLN  23          1HG       GLN  23  -8.610  -0.240  -2.454
  156   1HE2  GLN  23          1HE2      GLN  23  -9.123  -1.823   1.332
  157   2HE2  GLN  23          2HE2      GLN  23  -7.646  -2.177   0.302
  158    H    ARG  24           H        ARG  24 -10.045  -5.301  -3.037
  159    HA   ARG  24           HA       ARG  24  -9.313  -6.186  -5.834
  160   1HB   ARG  24          2HB       ARG  24  -9.760  -8.094  -3.437
  161   2HB   ARG  24          1HB       ARG  24 -10.184  -8.555  -5.017
  162   1HG   ARG  24          2HG       ARG  24  -7.332  -7.616  -4.312
  163   2HG   ARG  24          1HG       ARG  24  -7.879  -9.256  -4.009
  164   1HD   ARG  24          2HD       ARG  24  -8.293  -9.624  -6.465
  165   2HD   ARG  24          1HD       ARG  24  -7.748  -7.975  -6.802
  166    HE   ARG  24           HE       ARG  24  -5.445  -8.582  -6.137
  167   1HH1  ARG  24          1HH2      ARG  24  -7.540 -11.511  -6.112
  168   2HH1  ARG  24          2HH2      ARG  24  -6.034 -12.559  -6.138
  169   1HH2  ARG  24          2HH1      ARG  24  -3.870  -9.892  -6.165
  170   2HH2  ARG  24          1HH1      ARG  24  -4.122 -11.710  -6.165
  171   1HN   NH2  25          1HC       ARG  24 -13.300  -6.123  -4.691
  172   2HN   NH2  25          2HC       ARG  24 -12.081  -6.589  -3.402
   
  No H/Q in entry =         172
  Start of MODEL   12
    1   1H    HIS   1          2H        HIS   1   9.613   5.114   4.655
    2   2H    HIS   1          1H        HIS   1   8.072   5.692   4.793
    3   3H    HIS   1          3H        HIS   1   8.729   4.792   6.012
    4    HA   HIS   1           HA       HIS   1   8.910   2.883   4.648
    5   1HB   HIS   1          1HB       HIS   1   6.152   4.314   4.922
    6   2HB   HIS   1          2HB       HIS   1   6.107   2.688   4.308
    7    HD1  HIS   1           HD1      HIS   1   4.444   3.224   6.680
    8    HD2  HIS   1           HD2      HIS   1   8.494   1.827   6.912
    9    HE1  HIS   1           HE1      HIS   1   4.849   2.006   8.911
   10    HE2  HIS   1           HE2      HIS   1   7.247   1.102   9.141
   11    HA   HYP   2           HA       PRO   2   9.024   3.249   0.199
   12   1HB   HYP   2          1HB       PRO   2   6.871   1.441  -0.768
   13   2HB   HYP   2          2HB       PRO   2   8.602   1.232  -0.941
   14   1HD   HYP   2          1HD       PRO   2   6.225   1.291   2.117
   15   2HD   HYP   2          2HD       PRO   2   7.703   0.915   3.078
   16    HOD  HYP   2           HG2      PRO   2   9.577  -0.267   0.477
   17    HG   HYP   2           HG       PRO   2   7.321  -0.363   0.781
   18    HA   HYP   3           HA       PRO   3   4.997   5.072  -2.229
   19   1HB   HYP   3          1HB       PRO   3   5.516   2.531  -3.737
   20   2HB   HYP   3          2HB       PRO   3   4.866   4.059  -4.328
   21   1HD   HYP   3          1HD       PRO   3   8.055   2.645  -2.797
   22   2HD   HYP   3          2HD       PRO   3   8.694   4.288  -2.330
   23    HOD  HYP   3           HG2      PRO   3   6.721   5.894  -3.336
   24    HG   HYP   3           HG       PRO   3   7.675   3.833  -5.061
   25    H    CYS   4           H        CYS   4   2.755   4.305  -2.233
   26    HA   CYS   4           HA       CYS   4   1.693   2.084  -0.727
   27   1HB   CYS   4          2HB       CYS   4   0.397   4.094  -1.770
   28   2HB   CYS   4          1HB       CYS   4   0.224   2.996  -3.254
   29    H    CYS   5           H        CYS   5   2.454   2.011  -4.086
   30    HA   CYS   5           HA       CYS   5   0.915  -0.676  -4.594
   31   1HB   CYS   5          1HB       CYS   5   1.188   1.686  -6.081
   32   2HB   CYS   5          2HB       CYS   5   2.578   0.664  -6.754
   33    H    LEU   6           H        LEU   6   3.717  -0.413  -3.835
   34    HA   LEU   6           HA       LEU   6   5.174  -2.483  -5.314
   35   1HB   LEU   6          2HB       LEU   6   6.202  -0.625  -4.014
   36   2HB   LEU   6          1HB       LEU   6   5.646  -1.438  -2.532
   37    HG   LEU   6           HG       LEU   6   7.371  -3.121  -2.734
   38   1HD1  LEU   6          2HD2      LEU   6   7.665  -3.225  -5.262
   39   2HD1  LEU   6          1HD2      LEU   6   8.442  -1.628  -5.242
   40   3HD1  LEU   6          3HD2      LEU   6   9.230  -3.025  -4.445
   41   1HD2  LEU   6          2HD1      LEU   6   7.850  -1.076  -1.470
   42   2HD2  LEU   6          3HD1      LEU   6   9.340  -1.688  -2.210
   43   3HD2  LEU   6          1HD1      LEU   6   8.487  -0.284  -2.927
   44    H    TYR   7           H        TYR   7   5.634  -4.506  -4.767
   45    HA   TYR   7           HA       TYR   7   3.110  -5.555  -4.664
   46   1HB   TYR   7          1HB       TYR   7   5.083  -7.317  -5.837
   47   2HB   TYR   7          2HB       TYR   7   3.560  -6.840  -6.470
   48    HD1  TYR   7           HD1      TYR   7   3.282  -4.543  -7.629
   49    HD2  TYR   7           HD2      TYR   7   7.149  -5.850  -6.269
   50    HE1  TYR   7           HE1      TYR   7   4.366  -2.896  -9.046
   51    HE2  TYR   7           HE2      TYR   7   8.187  -4.200  -7.694
   52    HH   TYR   7           HH       TYR   7   6.266  -2.013  -9.725
   53    H    GLY   8           H        GLY   8   5.483  -6.454  -2.840
   54   1HA   GLY   8          1HA       GLY   8   4.701  -9.276  -2.221
   55   2HA   GLY   8          2HA       GLY   8   6.102  -8.404  -1.483
   56    H    LYS   9           H        LYS   9   4.225  -6.143  -0.451
   57    HA   LYS   9           HA       LYS   9   2.468  -7.711   1.600
   58   1HB   LYS   9          1HB       LYS   9   4.852  -7.398   2.536
   59   2HB   LYS   9          2HB       LYS   9   4.596  -5.662   2.517
   60   1HG   LYS   9          2HG       LYS   9   2.639  -5.981   4.081
   61   2HG   LYS   9          1HG       LYS   9   2.885  -7.713   4.085
   62   1HD   LYS   9          1HD       LYS   9   5.050  -5.701   5.067
   63   2HD   LYS   9          2HD       LYS   9   3.752  -6.286   6.076
   64   1HE   LYS   9          1HE       LYS   9   5.559  -7.618   6.723
   65   2HE   LYS   9          2HE       LYS   9   4.589  -8.700   5.722
   66   1HZ   LYS   9          3HZ       LYS   9   7.029  -7.222   4.824
   67   2HZ   LYS   9          1HZ       LYS   9   6.949  -8.835   5.175
   68   3HZ   LYS   9          2HZ       LYS   9   6.138  -8.233   3.868
   69    H    CYS  10           H        CYS  10   0.487  -6.509   1.397
   70    HA   CYS  10           HA       CYS  10   0.055  -4.085   0.277
   71   1HB   CYS  10          1HB       CYS  10  -1.659  -5.730   0.602
   72   2HB   CYS  10          2HB       CYS  10  -1.645  -5.471   2.363
   73    H    ARG  11           H        ARG  11   1.086  -1.753   1.484
   74    HA   ARG  11           HA       ARG  11   0.275  -1.228   3.995
   75   1HB   ARG  11          2HB       ARG  11   1.547   0.678   3.474
   76   2HB   ARG  11          1HB       ARG  11   2.351  -0.720   3.367
   77   1HG   ARG  11          2HG       ARG  11   1.335   0.693   0.846
   78   2HG   ARG  11          1HG       ARG  11   2.752   1.333   1.665
   79   1HD   ARG  11          1HD       ARG  11   2.547  -1.536   0.491
   80   2HD   ARG  11          2HD       ARG  11   3.322  -0.157  -0.327
   81    HE   ARG  11           HE       ARG  11   4.289  -0.281   2.328
   82   1HH1  ARG  11          2HH1      ARG  11   4.557  -2.586  -0.436
   83   2HH1  ARG  11          1HH1      ARG  11   5.881  -3.512   0.434
   84   1HH2  ARG  11          2HH2      ARG  11   5.920  -1.399   3.145
   85   2HH2  ARG  11          1HH2      ARG  11   6.591  -2.886   2.306
   86    H    ARG  12           H        ARG  12  -1.322   0.050   4.357
   87    HA   ARG  12           HA       ARG  12  -2.563   1.916   2.597
   88   1HB   ARG  12          1HB       ARG  12  -4.862   1.760   3.468
   89   2HB   ARG  12          2HB       ARG  12  -4.231   0.160   3.027
   90   1HG   ARG  12          2HG       ARG  12  -3.804  -0.302   5.436
   91   2HG   ARG  12          1HG       ARG  12  -4.482   1.290   5.808
   92   1HD   ARG  12          1HD       ARG  12  -6.280  -0.198   6.285
   93   2HD   ARG  12          2HD       ARG  12  -6.725   0.496   4.731
   94    HE   ARG  12           HE       ARG  12  -5.830  -2.353   5.259
   95   1HH1  ARG  12          2HH1      ARG  12  -6.852  -0.057   2.680
   96   2HH1  ARG  12          1HH1      ARG  12  -7.138  -1.481   1.559
   97   1HH2  ARG  12          1HH2      ARG  12  -6.199  -3.826   3.884
   98   2HH2  ARG  12          2HH2      ARG  12  -6.796  -3.445   2.191
   99    H    TYR  13           H        TYR  13  -0.787   3.152   3.164
  100    HA   TYR  13           HA       TYR  13  -0.413   3.872   6.104
  101   1HB   TYR  13          1HB       TYR  13   2.088   3.847   5.406
  102   2HB   TYR  13          2HB       TYR  13   1.476   2.379   5.060
  103    HD1  TYR  13           HD2      TYR  13   0.442   3.414   1.957
  104    HD2  TYR  13           HD1      TYR  13   4.055   3.769   4.252
  105    HE1  TYR  13           HE2      TYR  13   1.644   4.365   0.057
  106    HE2  TYR  13           HE1      TYR  13   5.184   4.602   2.369
  107    HH   TYR  13           HH       TYR  13   4.881   5.612   0.320
  108    HA   HYP  14           HA       PRO  14   1.064   8.471   6.086
  109   1HB   HYP  14          1HB       PRO  14   3.152   6.537   4.815
  110   2HB   HYP  14          2HB       PRO  14   3.594   8.075   5.501
  111   1HD   HYP  14          1HD       PRO  14   1.555   4.785   7.050
  112   2HD   HYP  14          2HD       PRO  14   0.941   6.194   7.952
  113    HOD  HYP  14           HG2      PRO  14   2.935   7.050   8.820
  114    HG   HYP  14           HG       PRO  14   3.673   5.833   7.033
  115    H    GLY  15           H        GLY  15   0.400   6.929   2.954
  116   1HA   GLY  15          2HA       GLY  15   0.428   9.422   1.618
  117   2HA   GLY  15          1HA       GLY  15   2.002   8.302   1.351
  118    H    CYS  16           H        CYS  16  -1.278   6.957   1.639
  119    HA   CYS  16           HA       CYS  16  -1.183   6.082  -1.366
  120   1HB   CYS  16          1HB       CYS  16  -0.523   4.449   0.322
  121   2HB   CYS  16          2HB       CYS  16  -2.042   4.615   1.277
  122    H    SER  17           H        SER  17  -3.230   7.434   1.082
  123    HA   SER  17           HA       SER  17  -4.705   5.220   1.057
  124   1HB   SER  17          2HB       SER  17  -6.208   6.203   2.805
  125   2HB   SER  17          1HB       SER  17  -4.574   6.804   3.021
  126    HG   SER  17           HG       SER  17  -6.135   8.447   3.073
  127    H    SER  18           H        SER  18  -5.377   7.126  -1.053
  128    HA   SER  18           HA       SER  18  -8.146   6.209  -2.023
  129   1HB   SER  18          2HB       SER  18  -7.677   7.300  -4.138
  130   2HB   SER  18          1HB       SER  18  -7.151   8.401  -2.855
  131    HG   SER  18           HG       SER  18  -5.044   7.633  -3.113
  132    H    ALA  19           H        ALA  19  -4.879   5.627  -2.893
  133    HA   ALA  19           HA       ALA  19  -5.131   3.715  -4.883
  134   1HB   ALA  19          1HB       ALA  19  -2.625   4.176  -3.272
  135   2HB   ALA  19          2HB       ALA  19  -2.733   3.210  -4.752
  136   3HB   ALA  19          3HB       ALA  19  -3.152   4.944  -4.787
  137    H    SER  20           H        SER  20  -6.626   2.276  -3.841
  138    HA   SER  20           HA       SER  20  -6.592  -0.003  -2.232
  139   1HB   SER  20          1HB       SER  20  -7.515  -1.296  -4.162
  140   2HB   SER  20          2HB       SER  20  -8.244   0.227  -4.099
  141    HG   SER  20           HG       SER  20  -6.767   0.971  -5.668
  142    H    CYS  21           H        CYS  21  -4.870   0.019  -5.038
  143    HA   CYS  21           HA       CYS  21  -3.747  -2.183  -6.086
  144   1HB   CYS  21          1HB       CYS  21  -2.733  -0.187  -6.695
  145   2HB   CYS  21          2HB       CYS  21  -2.040   0.129  -5.099
  146    H    CYS  22           H        CYS  22  -4.565  -3.067  -3.808
  147    HA   CYS  22           HA       CYS  22  -2.531  -5.186  -3.027
  148   1HB   CYS  22          2HB       CYS  22  -4.872  -3.764  -1.653
  149   2HB   CYS  22          1HB       CYS  22  -4.052  -5.292  -1.041
  150    H    GLN  23           H        GLN  23  -5.821  -5.489  -4.430
  151    HA   GLN  23           HA       GLN  23  -6.522  -4.946  -2.063
  152   1HB   GLN  23          1HB       GLN  23  -8.229  -4.220  -4.373
  153   2HB   GLN  23          2HB       GLN  23  -7.198  -3.144  -3.195
  154   1HG   GLN  23          2HG       GLN  23  -5.979  -2.717  -5.052
  155   2HG   GLN  23          1HG       GLN  23  -5.802  -4.363  -5.558
  156   1HE2  GLN  23          2HE2      GLN  23  -8.424  -4.091  -8.073
  157   2HE2  GLN  23          1HE2      GLN  23  -7.566  -5.255  -6.943
  158    H    ARG  24           H        ARG  24  -8.576  -5.006  -1.074
  159    HA   ARG  24           HA       ARG  24 -10.274  -6.144  -0.061
  160   1HB   ARG  24          2HB       ARG  24 -11.295  -4.990  -2.142
  161   2HB   ARG  24          1HB       ARG  24 -11.352  -6.570  -2.904
  162   1HG   ARG  24          2HG       ARG  24 -12.901  -7.343  -0.988
  163   2HG   ARG  24          1HG       ARG  24 -12.806  -5.720  -0.326
  164   1HD   ARG  24          2HD       ARG  24 -14.867  -5.727  -1.455
  165   2HD   ARG  24          1HD       ARG  24 -13.833  -4.842  -2.567
  166    HE   ARG  24           HE       ARG  24 -13.997  -7.774  -3.169
  167   1HH1  ARG  24          2HH1      ARG  24 -15.631  -4.643  -3.879
  168   2HH1  ARG  24          1HH1      ARG  24 -16.375  -5.398  -5.377
  169   1HH2  ARG  24          1HH2      ARG  24 -14.905  -8.461  -4.872
  170   2HH2  ARG  24          2HH2      ARG  24 -15.993  -7.390  -5.891
  171   1HN   NH2  25          1HC       ARG  24  -9.902  -8.055   0.979
  172   2HN   NH2  25          2HC       ARG  24  -9.771  -9.692   0.162
   
  No H/Q in entry =         172
  Start of MODEL   13
    1   1H    HIS   1          1H        HIS   1   9.170   4.936   4.867
    2   2H    HIS   1          3H        HIS   1   7.618   5.500   4.825
    3   3H    HIS   1          2H        HIS   1   8.181   4.732   6.175
    4    HA   HIS   1           HA       HIS   1   8.487   2.700   5.017
    5   1HB   HIS   1          1HB       HIS   1   5.701   4.105   4.945
    6   2HB   HIS   1          2HB       HIS   1   5.731   2.425   4.488
    7    HD1  HIS   1           HD1      HIS   1   4.086   3.584   6.943
    8    HD2  HIS   1           HD2      HIS   1   7.683   1.266   6.980
    9    HE1  HIS   1           HE1      HIS   1   4.293   2.300   9.153
   10    HE2  HIS   1           HE2      HIS   1   6.403   0.834   9.263
   11    HA   HYP   2           HA       PRO   2   8.954   2.565   0.553
   12   1HB   HYP   2          1HB       PRO   2   6.717   0.829  -0.382
   13   2HB   HYP   2          2HB       PRO   2   8.432   0.510  -0.469
   14   1HD   HYP   2          1HD       PRO   2   5.987   0.906   2.517
   15   2HD   HYP   2          2HD       PRO   2   7.447   0.563   3.520
   16    HOD  HYP   2           HG2      PRO   2   8.899  -0.894   2.623
   17    HG   HYP   2           HG       PRO   2   7.016  -0.877   1.323
   18    HA   HYP   3           HA       PRO   3   5.192   4.465  -2.240
   19   1HB   HYP   3          1HB       PRO   3   5.527   1.754  -3.487
   20   2HB   HYP   3          2HB       PRO   3   5.028   3.260  -4.240
   21   1HD   HYP   3          1HD       PRO   3   8.041   1.752  -2.465
   22   2HD   HYP   3          2HD       PRO   3   8.803   3.372  -2.120
   23    HOD  HYP   3           HG2      PRO   3   7.006   5.033  -3.353
   24    HG   HYP   3           HG       PRO   3   7.834   2.742  -4.835
   25    H    CYS   4           H        CYS   4   2.916   3.938  -2.236
   26    HA   CYS   4           HA       CYS   4   1.583   2.043  -0.510
   27   1HB   CYS   4          2HB       CYS   4   0.507   4.005  -1.783
   28   2HB   CYS   4          1HB       CYS   4   0.331   2.817  -3.200
   29    H    CYS   5           H        CYS   5   2.414   1.486  -3.859
   30    HA   CYS   5           HA       CYS   5   1.182  -1.429  -3.835
   31   1HB   CYS   5          1HB       CYS   5   0.804   0.730  -5.597
   32   2HB   CYS   5          2HB       CYS   5   2.193  -0.185  -6.412
   33    H    LEU   6           H        LEU   6   4.065  -0.543  -3.766
   34    HA   LEU   6           HA       LEU   6   5.320  -2.806  -5.310
   35   1HB   LEU   6          1HB       LEU   6   6.038  -0.144  -5.071
   36   2HB   LEU   6          2HB       LEU   6   6.784  -0.705  -3.662
   37    HG   LEU   6           HG       LEU   6   8.327  -0.466  -5.379
   38   1HD1  LEU   6          3HD2      LEU   6   8.932  -2.440  -4.261
   39   2HD1  LEU   6          2HD2      LEU   6   8.232  -3.417  -5.564
   40   3HD1  LEU   6          1HD2      LEU   6   9.635  -2.327  -5.900
   41   1HD2  LEU   6          2HD1      LEU   6   6.748  -0.364  -7.383
   42   2HD2  LEU   6          1HD1      LEU   6   8.289  -1.145  -7.771
   43   3HD2  LEU   6          3HD1      LEU   6   6.836  -2.140  -7.479
   44    H    TYR   7           H        TYR   7   7.178  -3.633  -4.242
   45    HA   TYR   7           HA       TYR   7   8.231  -5.362  -2.925
   46   1HB   TYR   7          1HB       TYR   7   7.025  -3.767  -0.882
   47   2HB   TYR   7          2HB       TYR   7   8.162  -5.078  -0.437
   48    HD1  TYR   7           HD1      TYR   7  10.593  -5.001  -1.249
   49    HD2  TYR   7           HD2      TYR   7   8.014  -1.569  -1.632
   50    HE1  TYR   7           HE1      TYR   7  12.525  -3.555  -1.557
   51    HE2  TYR   7           HE2      TYR   7   9.973  -0.175  -1.958
   52    HH   TYR   7           HH       TYR   7  12.163  -0.068  -2.087
   53    H    GLY   8           H        GLY   8   5.242  -5.363  -3.066
   54   1HA   GLY   8          2HA       GLY   8   3.765  -7.228  -3.544
   55   2HA   GLY   8          1HA       GLY   8   4.994  -8.326  -2.789
   56    H    LYS   9           H        LYS   9   3.837  -5.792  -0.715
   57    HA   LYS   9           HA       LYS   9   1.700  -7.697   0.599
   58   1HB   LYS   9          1HB       LYS   9   4.008  -7.773   1.748
   59   2HB   LYS   9          2HB       LYS   9   3.808  -6.082   2.178
   60   1HG   LYS   9          1HG       LYS   9   1.691  -6.745   3.480
   61   2HG   LYS   9          2HG       LYS   9   1.966  -8.405   3.002
   62   1HD   LYS   9          1HD       LYS   9   2.805  -8.422   5.167
   63   2HD   LYS   9          2HD       LYS   9   4.268  -8.285   4.233
   64   1HE   LYS   9          1HE       LYS   9   4.616  -6.807   6.036
   65   2HE   LYS   9          2HE       LYS   9   4.191  -5.709   4.723
   66   1HZ   LYS   9          3HZ       LYS   9   2.331  -6.655   6.863
   67   2HZ   LYS   9          2HZ       LYS   9   3.022  -5.158   6.774
   68   3HZ   LYS   9          1HZ       LYS   9   1.913  -5.624   5.643
   69    H    CYS  10           H        CYS  10  -0.225  -6.422   0.615
   70    HA   CYS  10           HA       CYS  10  -0.457  -3.885  -0.272
   71   1HB   CYS  10          1HB       CYS  10  -2.212  -5.522  -0.384
   72   2HB   CYS  10          2HB       CYS  10  -2.466  -5.407   1.373
   73    H    ARG  11           H        ARG  11   0.840  -1.983   1.328
   74    HA   ARG  11           HA       ARG  11  -0.115  -1.421   3.739
   75   1HB   ARG  11          2HB       ARG  11   1.332   0.437   3.327
   76   2HB   ARG  11          1HB       ARG  11   2.007  -1.015   3.313
   77   1HG   ARG  11          2HG       ARG  11   1.338   0.333   0.668
   78   2HG   ARG  11          1HG       ARG  11   2.724   0.917   1.549
   79   1HD   ARG  11          1HD       ARG  11   2.407  -1.984   0.527
   80   2HD   ARG  11          2HD       ARG  11   3.365  -0.715  -0.271
   81    HE   ARG  11           HE       ARG  11   4.069  -0.750   2.463
   82   1HH1  ARG  11          2HH1      ARG  11   4.352  -3.293  -0.078
   83   2HH1  ARG  11          1HH1      ARG  11   5.517  -4.242   0.974
   84   1HH2  ARG  11          2HH2      ARG  11   5.538  -1.907   3.493
   85   2HH2  ARG  11          1HH2      ARG  11   6.136  -3.513   2.838
   86    H    ARG  12           H        ARG  12  -1.584  -0.021   4.126
   87    HA   ARG  12           HA       ARG  12  -2.599   2.051   2.429
   88   1HB   ARG  12          1HB       ARG  12  -4.942   1.999   3.201
   89   2HB   ARG  12          2HB       ARG  12  -4.388   0.400   2.665
   90   1HG   ARG  12          1HG       ARG  12  -4.115  -0.290   4.995
   91   2HG   ARG  12          2HG       ARG  12  -4.670   1.297   5.548
   92   1HD   ARG  12          1HD       ARG  12  -6.451  -0.586   3.843
   93   2HD   ARG  12          2HD       ARG  12  -6.391  -0.676   5.600
   94    HE   ARG  12           HE       ARG  12  -6.987   2.060   5.075
   95   1HH1  ARG  12          2HH1      ARG  12  -8.695  -1.026   4.344
   96   2HH1  ARG  12          1HH1      ARG  12 -10.291  -0.123   4.381
   97   1HH2  ARG  12          2HH2      ARG  12  -8.849   2.914   5.080
   98   2HH2  ARG  12          1HH2      ARG  12 -10.367   1.932   4.765
   99    H    TYR  13           H        TYR  13  -0.832   3.204   3.155
  100    HA   TYR  13           HA       TYR  13  -0.534   3.732   6.135
  101   1HB   TYR  13          1HB       TYR  13   2.032   3.878   5.274
  102   2HB   TYR  13          2HB       TYR  13   1.419   2.349   5.070
  103    HD1  TYR  13           HD2      TYR  13   0.364   4.693   2.352
  104    HD2  TYR  13           HD1      TYR  13   3.674   2.350   3.782
  105    HE1  TYR  13           HE2      TYR  13   1.685   5.281   0.406
  106    HE2  TYR  13           HE1      TYR  13   4.972   3.041   1.917
  107    HH   TYR  13           HH       TYR  13   3.563   5.507  -0.392
  108    HA   HYP  14           HA       PRO  14   1.268   8.298   6.262
  109   1HB   HYP  14          1HB       PRO  14   3.133   6.199   4.892
  110   2HB   HYP  14          2HB       PRO  14   3.729   7.693   5.531
  111   1HD   HYP  14          1HD       PRO  14   1.528   4.575   7.109
  112   2HD   HYP  14          2HD       PRO  14   1.011   5.971   8.089
  113    HOD  HYP  14           HG2      PRO  14   2.454   7.886   7.980
  114    HG   HYP  14           HG       PRO  14   3.685   5.480   7.099
  115    H    GLY  15           H        GLY  15   0.438   6.870   3.074
  116   1HA   GLY  15          2HA       GLY  15   0.562   9.407   1.828
  117   2HA   GLY  15          1HA       GLY  15   2.112   8.256   1.552
  118    H    CYS  16           H        CYS  16  -1.165   6.947   1.690
  119    HA   CYS  16           HA       CYS  16  -0.969   6.185  -1.343
  120   1HB   CYS  16          1HB       CYS  16  -0.472   4.447   0.283
  121   2HB   CYS  16          2HB       CYS  16  -2.005   4.677   1.217
  122    H    SER  17           H        SER  17  -3.042   7.566   1.036
  123    HA   SER  17           HA       SER  17  -4.633   5.424   0.832
  124   1HB   SER  17          1HB       SER  17  -4.401   6.855   2.911
  125   2HB   SER  17          2HB       SER  17  -5.508   8.045   2.203
  126    HG   SER  17           HG       SER  17  -6.066   5.321   2.800
  127    H    SER  18           H        SER  18  -5.087   7.459  -1.201
  128    HA   SER  18           HA       SER  18  -7.870   6.797  -2.308
  129   1HB   SER  18          2HB       SER  18  -7.191   7.855  -4.383
  130   2HB   SER  18          1HB       SER  18  -6.653   8.901  -3.060
  131    HG   SER  18           HG       SER  18  -5.054   7.015  -4.409
  132    H    ALA  19           H        ALA  19  -4.613   5.955  -3.053
  133    HA   ALA  19           HA       ALA  19  -4.988   4.023  -5.012
  134   1HB   ALA  19          1HB       ALA  19  -2.438   4.170  -3.387
  135   2HB   ALA  19          3HB       ALA  19  -2.674   3.243  -4.864
  136   3HB   ALA  19          2HB       ALA  19  -2.847   5.014  -4.898
  137    H    SER  20           H        SER  20  -6.673   2.788  -3.890
  138    HA   SER  20           HA       SER  20  -6.667   0.387  -2.444
  139   1HB   SER  20          1HB       SER  20  -7.885  -0.672  -4.338
  140   2HB   SER  20          2HB       SER  20  -8.500   0.880  -4.037
  141    HG   SER  20           HG       SER  20  -7.186   1.670  -5.738
  142    H    CYS  21           H        CYS  21  -5.355   0.510  -5.471
  143    HA   CYS  21           HA       CYS  21  -4.021  -1.339  -6.874
  144   1HB   CYS  21          2HB       CYS  21  -2.916   0.918  -6.476
  145   2HB   CYS  21          1HB       CYS  21  -2.059   0.198  -5.091
  146    H    CYS  22           H        CYS  22  -5.058  -2.616  -4.629
  147    HA   CYS  22           HA       CYS  22  -3.138  -4.914  -4.191
  148   1HB   CYS  22          2HB       CYS  22  -5.327  -3.510  -2.556
  149   2HB   CYS  22          1HB       CYS  22  -4.539  -5.120  -2.139
  150    H    GLN  23           H        GLN  23  -6.521  -4.841  -5.419
  151    HA   GLN  23           HA       GLN  23  -7.039  -4.650  -2.940
  152   1HB   GLN  23          1HB       GLN  23  -8.850  -3.494  -4.972
  153   2HB   GLN  23          2HB       GLN  23  -7.692  -2.660  -3.718
  154   1HG   GLN  23          1HG       GLN  23  -6.439  -2.186  -5.623
  155   2HG   GLN  23          2HG       GLN  23  -6.840  -3.655  -6.506
  156   1HE2  GLN  23          2HE2      GLN  23  -8.201  -0.960  -8.569
  157   2HE2  GLN  23          1HE2      GLN  23  -6.629  -1.788  -8.112
  158    H    ARG  24           H        ARG  24  -9.030  -4.783  -1.815
  159    HA   ARG  24           HA       ARG  24 -11.143  -6.643  -2.912
  160   1HB   ARG  24          2HB       ARG  24  -9.545  -7.103  -0.273
  161   2HB   ARG  24          1HB       ARG  24 -11.169  -7.639  -0.481
  162   1HG   ARG  24          2HG       ARG  24 -10.500  -9.055  -2.474
  163   2HG   ARG  24          1HG       ARG  24  -8.848  -8.496  -2.273
  164   1HD   ARG  24          1HD       ARG  24  -8.813 -10.619  -1.280
  165   2HD   ARG  24          2HD       ARG  24  -8.874  -9.557   0.115
  166    HE   ARG  24           HE       ARG  24 -11.190 -10.278   0.555
  167   1HH1  ARG  24          1HH2      ARG  24  -9.972 -11.997  -2.363
  168   2HH1  ARG  24          2HH2      ARG  24 -11.355 -13.193  -2.208
  169   1HH2  ARG  24          1HH1      ARG  24 -12.671 -11.693   0.587
  170   2HH2  ARG  24          2HH1      ARG  24 -12.761 -13.030  -0.666
  171   1HN   NH2  25          1HC       ARG  24 -13.225  -4.165  -1.365
  172   2HN   NH2  25          2HC       ARG  24 -12.936  -5.395  -2.696
   
  No H/Q in entry =         172
  Start of MODEL   14
    1   1H    HIS   1          3H        HIS   1  10.240   5.997   4.480
    2   2H    HIS   1          1H        HIS   1   8.743   6.683   4.611
    3   3H    HIS   1          2H        HIS   1   9.443   5.971   5.927
    4    HA   HIS   1           HA       HIS   1   9.431   3.847   4.915
    5   1HB   HIS   1          1HB       HIS   1   6.787   5.477   5.150
    6   2HB   HIS   1          2HB       HIS   1   6.597   3.784   4.786
    7    HD1  HIS   1           HD1      HIS   1   5.174   4.746   7.166
    8    HD2  HIS   1           HD2      HIS   1   9.157   3.163   7.307
    9    HE1  HIS   1           HE1      HIS   1   5.700   3.847   9.520
   10    HE2  HIS   1           HE2      HIS   1   8.063   2.845   9.706
   11    HA   HYP   2           HA       PRO   2   9.357   3.391   0.545
   12   1HB   HYP   2          1HB       PRO   2   7.160   1.492  -0.030
   13   2HB   HYP   2          2HB       PRO   2   8.878   1.198  -0.135
   14   1HD   HYP   2          1HD       PRO   2   6.487   1.989   2.806
   15   2HD   HYP   2          2HD       PRO   2   7.933   1.747   3.852
   16    HOD  HYP   2           HG2      PRO   2   9.409   0.197   3.120
   17    HG   HYP   2           HG       PRO   2   7.500   0.039   1.863
   18    HA   HYP   3           HA       PRO   3   5.307   4.731  -2.132
   19   1HB   HYP   3          1HB       PRO   3   5.839   1.977  -3.219
   20   2HB   HYP   3          2HB       PRO   3   5.179   3.403  -4.023
   21   1HD   HYP   3          1HD       PRO   3   8.357   2.242  -2.259
   22   2HD   HYP   3          2HD       PRO   3   9.038   3.926  -2.123
   23    HOD  HYP   3           HG2      PRO   3   8.381   5.164  -4.235
   24    HG   HYP   3           HG       PRO   3   7.991   3.037  -4.730
   25    H    CYS   4           H        CYS   4   3.060   3.880  -1.927
   26    HA   CYS   4           HA       CYS   4   2.200   1.823  -0.062
   27   1HB   CYS   4          2HB       CYS   4   0.752   3.647  -1.209
   28   2HB   CYS   4          1HB       CYS   4   0.601   2.430  -2.611
   29    H    CYS   5           H        CYS   5   2.789   1.367  -3.459
   30    HA   CYS   5           HA       CYS   5   1.475  -1.499  -3.498
   31   1HB   CYS   5          1HB       CYS   5   1.333   0.661  -5.281
   32   2HB   CYS   5          2HB       CYS   5   2.776  -0.284  -5.962
   33    H    LEU   6           H        LEU   6   4.298  -0.804  -3.090
   34    HA   LEU   6           HA       LEU   6   5.822  -2.747  -4.697
   35   1HB   LEU   6          2HB       LEU   6   6.621  -0.510  -3.972
   36   2HB   LEU   6          1HB       LEU   6   6.661  -1.107  -2.296
   37    HG   LEU   6           HG       LEU   6   8.661  -2.376  -2.691
   38   1HD1  LEU   6          3HD2      LEU   6   8.355  -3.021  -5.146
   39   2HD1  LEU   6          2HD2      LEU   6   8.691  -1.346  -5.629
   40   3HD1  LEU   6          1HD2      LEU   6   9.970  -2.335  -4.855
   41   1HD2  LEU   6          3HD1      LEU   6   8.892  -0.045  -2.006
   42   2HD2  LEU   6          2HD1      LEU   6  10.269  -0.513  -3.018
   43   3HD2  LEU   6          1HD1      LEU   6   8.947   0.489  -3.698
   44    H    TYR   7           H        TYR   7   6.958  -4.485  -4.095
   45    HA   TYR   7           HA       TYR   7   7.541  -6.616  -3.191
   46   1HB   TYR   7          1HB       TYR   7   6.807  -5.347  -0.759
   47   2HB   TYR   7          2HB       TYR   7   7.369  -7.053  -0.716
   48    HD1  TYR   7           HD2      TYR   7   9.733  -7.664  -1.492
   49    HD2  TYR   7           HD1      TYR   7   8.581  -3.573  -0.768
   50    HE1  TYR   7           HE2      TYR   7  12.067  -6.999  -1.371
   51    HE2  TYR   7           HE1      TYR   7  10.924  -2.961  -0.657
   52    HH   TYR   7           HH       TYR   7  13.016  -3.635  -0.773
   53    H    GLY   8           H        GLY   8   4.669  -5.639  -3.189
   54   1HA   GLY   8          2HA       GLY   8   2.612  -6.717  -3.877
   55   2HA   GLY   8          1HA       GLY   8   3.439  -8.324  -3.681
   56    H    LYS   9           H        LYS   9   3.627  -6.497  -0.826
   57    HA   LYS   9           HA       LYS   9   0.873  -7.559   0.269
   58   1HB   LYS   9          2HB       LYS   9   2.877  -8.812   1.234
   59   2HB   LYS   9          1HB       LYS   9   3.440  -7.307   1.949
   60   1HG   LYS   9          1HG       LYS   9   1.296  -7.155   3.254
   61   2HG   LYS   9          2HG       LYS   9   0.692  -8.620   2.519
   62   1HD   LYS   9          1HD       LYS   9   3.282  -8.560   4.220
   63   2HD   LYS   9          2HD       LYS   9   1.706  -8.700   4.945
   64   1HE   LYS   9          2HE       LYS   9   2.733 -10.761   2.901
   65   2HE   LYS   9          1HE       LYS   9   3.061 -10.870   4.629
   66   1HZ   LYS   9          3HZ       LYS   9   0.665 -10.963   5.049
   67   2HZ   LYS   9          2HZ       LYS   9   0.335 -10.865   3.434
   68   3HZ   LYS   9          1HZ       LYS   9   1.130 -12.182   4.036
   69    H    CYS  10           H        CYS  10  -0.294  -5.610   0.461
   70    HA   CYS  10           HA       CYS  10   0.723  -3.247  -0.299
   71   1HB   CYS  10          2HB       CYS  10  -1.483  -3.879  -0.707
   72   2HB   CYS  10          1HB       CYS  10  -1.990  -3.821   0.976
   73    H    ARG  11           H        ARG  11   1.350  -0.883   0.994
   74    HA   ARG  11           HA       ARG  11   1.692  -0.982   3.693
   75   1HB   ARG  11          1HB       ARG  11   2.101   1.203   2.082
   76   2HB   ARG  11          2HB       ARG  11   2.657   0.869   3.515
   77   1HG   ARG  11          2HG       ARG  11   3.681   0.299   0.742
   78   2HG   ARG  11          1HG       ARG  11   4.584   0.776   2.154
   79   1HD   ARG  11          1HD       ARG  11   3.936  -2.040   1.157
   80   2HD   ARG  11          2HD       ARG  11   5.525  -1.326   1.520
   81    HE   ARG  11           HE       ARG  11   3.579  -1.317   3.702
   82   1HH1  ARG  11          2HH1      ARG  11   6.286  -3.318   2.345
   83   2HH1  ARG  11          1HH1      ARG  11   6.501  -4.218   3.929
   84   1HH2  ARG  11          1HH2      ARG  11   3.986  -2.507   5.528
   85   2HH2  ARG  11          2HH2      ARG  11   5.296  -3.790   5.591
   86    H    ARG  12           H        ARG  12   0.095  -0.230   4.875
   87    HA   ARG  12           HA       ARG  12  -1.926   1.682   4.042
   88   1HB   ARG  12          1HB       ARG  12  -3.420   1.171   5.956
   89   2HB   ARG  12          2HB       ARG  12  -2.994  -0.246   4.981
   90   1HG   ARG  12          1HG       ARG  12  -1.363  -0.928   6.677
   91   2HG   ARG  12          2HG       ARG  12  -1.757   0.477   7.670
   92   1HD   ARG  12          1HD       ARG  12  -3.856  -1.689   6.937
   93   2HD   ARG  12          2HD       ARG  12  -2.810  -1.815   8.348
   94    HE   ARG  12           HE       ARG  12  -4.262   0.762   8.350
   95   1HH1  ARG  12          1HH1      ARG  12  -4.680  -2.684   9.316
   96   2HH1  ARG  12          2HH1      ARG  12  -5.963  -2.165  10.520
   97   1HH2  ARG  12          2HH2      ARG  12  -5.712   1.169   9.738
   98   2HH2  ARG  12          1HH2      ARG  12  -6.498  -0.155  10.737
   99    H    TYR  13           H        TYR  13  -0.036   3.157   3.846
  100    HA   TYR  13           HA       TYR  13   0.545   4.512   6.532
  101   1HB   TYR  13          1HB       TYR  13   2.945   4.701   5.704
  102   2HB   TYR  13          2HB       TYR  13   2.551   3.128   5.549
  103    HD1  TYR  13           HD2      TYR  13   1.237   3.423   2.490
  104    HD2  TYR  13           HD1      TYR  13   4.716   5.128   4.368
  105    HE1  TYR  13           HE2      TYR  13   2.107   4.242   0.346
  106    HE2  TYR  13           HE1      TYR  13   5.528   5.820   2.233
  107    HH   TYR  13           HH       TYR  13   3.615   5.333  -0.718
  108    HA   HYP  14           HA       PRO  14   0.918   9.188   5.738
  109   1HB   HYP  14          1HB       PRO  14   3.147   7.557   4.394
  110   2HB   HYP  14          2HB       PRO  14   3.422   9.222   4.918
  111   1HD   HYP  14          1HD       PRO  14   2.241   5.863   7.127
  112   2HD   HYP  14          2HD       PRO  14   1.436   7.286   7.838
  113    HOD  HYP  14           HG2      PRO  14   3.401   8.491   8.354
  114    HG   HYP  14           HG       PRO  14   4.095   7.195   6.604
  115    H    GLY  15           H        GLY  15  -0.645   7.747   3.852
  116   1HA   GLY  15          1HA       GLY  15  -2.199   8.854   2.369
  117   2HA   GLY  15          2HA       GLY  15  -0.704   9.946   1.855
  118    H    CYS  16           H        CYS  16  -1.352   6.599   2.149
  119    HA   CYS  16           HA       CYS  16  -0.941   5.788  -0.843
  120   1HB   CYS  16          1HB       CYS  16  -0.107   4.294   0.885
  121   2HB   CYS  16          2HB       CYS  16  -1.592   4.343   1.905
  122    H    SER  17           H        SER  17  -3.420   6.766   1.376
  123    HA   SER  17           HA       SER  17  -4.365   4.277   1.305
  124   1HB   SER  17          1HB       SER  17  -4.681   5.881   3.254
  125   2HB   SER  17          2HB       SER  17  -6.046   6.621   2.400
  126    HG   SER  17           HG       SER  17  -5.805   3.910   3.229
  127    H    SER  18           H        SER  18  -5.357   6.144  -0.795
  128    HA   SER  18           HA       SER  18  -8.039   4.961  -1.732
  129   1HB   SER  18          1HB       SER  18  -6.185   6.960  -3.161
  130   2HB   SER  18          2HB       SER  18  -7.747   6.411  -3.784
  131    HG   SER  18           HG       SER  18  -7.316   7.717  -1.307
  132    H    ALA  19           H        ALA  19  -4.639   4.397  -2.317
  133    HA   ALA  19           HA       ALA  19  -4.412   3.557  -4.903
  134   1HB   ALA  19          1HB       ALA  19  -2.544   3.980  -3.429
  135   2HB   ALA  19          3HB       ALA  19  -2.843   2.455  -2.543
  136   3HB   ALA  19          2HB       ALA  19  -2.350   2.413  -4.251
  137    H    SER  20           H        SER  20  -6.434   2.383  -4.995
  138    HA   SER  20           HA       SER  20  -6.954  -0.340  -4.495
  139   1HB   SER  20          1HB       SER  20  -8.558   0.890  -5.463
  140   2HB   SER  20          2HB       SER  20  -7.738   1.066  -7.086
  141    HG   SER  20           HG       SER  20  -8.820  -1.256  -5.830
  142    H    CYS  21           H        CYS  21  -4.636   0.318  -6.494
  143    HA   CYS  21           HA       CYS  21  -3.157  -2.136  -6.912
  144   1HB   CYS  21          1HB       CYS  21  -1.973  -0.180  -6.445
  145   2HB   CYS  21          2HB       CYS  21  -2.597  -0.069  -4.783
  146    H    CYS  22           H        CYS  22  -4.974  -1.367  -3.806
  147    HA   CYS  22           HA       CYS  22  -4.136  -3.953  -2.514
  148   1HB   CYS  22          2HB       CYS  22  -4.872  -1.139  -1.434
  149   2HB   CYS  22          1HB       CYS  22  -4.298  -2.673  -0.510
  150    H    GLN  23           H        GLN  23  -7.202  -2.012  -2.221
  151    HA   GLN  23           HA       GLN  23  -9.371  -3.342  -1.879
  152   1HB   GLN  23          2HB       GLN  23  -8.573  -1.762  -4.313
  153   2HB   GLN  23          1HB       GLN  23 -10.311  -1.834  -3.498
  154   1HG   GLN  23          2HG       GLN  23  -7.830  -0.492  -2.257
  155   2HG   GLN  23          1HG       GLN  23  -8.869   0.335  -3.337
  156   1HE2  GLN  23          2HE2      GLN  23 -11.481   0.718  -0.798
  157   2HE2  GLN  23          1HE2      GLN  23 -11.023   0.887  -2.567
  158    H    ARG  24           H        ARG  24 -10.886  -4.581  -3.149
  159    HA   ARG  24           HA       ARG  24  -9.938  -6.073  -5.599
  160   1HB   ARG  24          2HB       ARG  24 -10.955  -7.414  -2.975
  161   2HB   ARG  24          1HB       ARG  24 -11.178  -8.125  -4.529
  162   1HG   ARG  24          1HG       ARG  24  -8.691  -8.179  -4.941
  163   2HG   ARG  24          2HG       ARG  24  -8.419  -7.422  -3.372
  164   1HD   ARG  24          1HD       ARG  24  -9.468  -9.421  -2.219
  165   2HD   ARG  24          2HD       ARG  24  -9.742 -10.183  -3.796
  166    HE   ARG  24           HE       ARG  24  -6.896  -9.395  -3.361
  167   1HH1  ARG  24          1HH2      ARG  24  -9.182 -12.134  -2.853
  168   2HH1  ARG  24          2HH2      ARG  24  -7.751 -13.277  -2.745
  169   1HH2  ARG  24          2HH1      ARG  24  -5.416 -10.804  -3.216
  170   2HH2  ARG  24          1HH1      ARG  24  -5.789 -12.578  -2.934
  171   1HN   NH2  25          1HC       ARG  24 -13.273  -5.234  -6.619
  172   2HN   NH2  25          2HC       ARG  24 -11.506  -5.515  -7.030
   
  No H/Q in entry =         172