*HEADER    BLOOD CLOTTING                          19-FEB-99   1FF7              
*TITLE     THE FIRST EGF-LIKE DOMAIN FROM HUMAN BLOOD COAGULATION FVII           
*TITLE    2 (FUCOSYLATED AT SER-60), NMR, 20 STRUCTURES                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BLOOD COAGULATION FACTOR VII;                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: FIRST EGF-LIKE DOMAIN (FUCOSYLATED AT SER-60);             
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 OTHER_DETAILS: CALCIUM BOUND FORM                                    
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI                                  
*KEYWDS    FACTOR VII, BLOOD COAGULATION, EGF-LIKE DOMAIN,                       
*KEYWDS   2 GLYCOPROTEIN, FUCOSYLATION, O- LINKED FUCOSE                         
*EXPDTA    NMR                                                                   
*AUTHOR    Y.-H.KAO, G.F.LEE, Y.WANG, M.A.STAROVASNIK, R.F.KELLEY,               
*AUTHOR   2 M.W.SPELLMAN, L.LERNER                                               
*REVDAT   1   16-JUN-99 1FF7    0                                                
 NOE
set message=on echo=off end

CLASSIFICATION rsix

assign (resid    1 and  name HA   )(resid    1 and  name HB#  ) 2.7 0.9 0.0 ! A_       N_N998   V_81.54  S_AQ    

assign (resid    1 and  name HA   )(resid    2 and  name HB#  ) 6.0 4.2 0.0 ! A_l      N_N1442  V_11.88  S_AQ    

assign (resid    1 and  name HB#  )(resid    1 and  name HG#  ) 5.0 3.2 1.0 ! A_       N_N1162  V_55.62  S_Q1    

assign (resid    2 and  name HA   )(resid    2 and  name HB#  ) 3.3 1.5 0.0 ! A_lr     N_N1375  V_98.62  S_AQ    

assign (resid    2 and  name HB#  )(resid    3 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N1279  V_23.8   S_QA    
 
assign (resid    2 and  name HB#  )(resid   21 and  name HD1# ) 6.0 4.2 0.5 ! A_       N_N1376  V_9.354  S_Q1    

assign (resid    2 and  name HB#  )(resid   21 and  name HD2# ) 6.0 4.2 0.5 ! A_r      N_N1378  V_2.981  S_Q2    

assign (resid    5 and  name HA   )(resid    5 and  name HB#  ) 2.7 0.9 0.0 ! A_       N_N1018  V_95.06  S_AQ    

assign (resid    5 and  name HA   )(resid    5 and  name HG#  ) 3.3 1.5 0.0 ! A_l      N_N313   V_112.4  S_AQ    

assign (resid    5 and  name HA   )(resid   24 and  name HD#  ) 5.0 3.2 0.0 ! A_r      N_N1212  V_18.3   S_AP    

assign (resid    5 and  name HA   )(resid   24 and  name HE#  ) 6.0 4.2 0.0 ! A_or     N_N956   V_19.49  S_AP    

assign (resid    5 and  name HB#  )(resid    5 and  name HG#  ) 5.0 3.2 0.0 ! A_o      N_N1020  V_437.4  S_QQ    

assign (resid    5 and  name HB#  )(resid    6 and  name HN   ) 5.0 3.2 0.0 ! A_or     N_N624   V_46.18  S_QA    *M 6.5/4.3

assign (resid    5 and  name HB#  )(resid   23 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N1104  V_11.03  S_QA    

assign (resid    5 and  name HB#  )(resid   24 and  name HB1  ) 5.0 3.2 0.0 ! A_       N_N1070  V_34.76  S_QS    

assign (resid    5 and  name HB#  )(resid   24 and  name HB2  ) 5.0 3.2 0.0 ! A_r      N_N1065  V_23.01  S_QR    

assign (resid    5 and  name HB#  )(resid   24 and  name HD#  ) 5.0 3.2 0.0 ! A_r      N_N1218  V_81.4   S_QP    

assign (resid    5 and  name HB#  )(resid   24 and  name HE#  ) 6.0 4.2 0.0 ! A_or     N_N961   V_38.1   S_QP    

assign (resid    5 and  name HE21 )(resid    5 and  name HB#  ) 5.0 3.2 0.0 ! A_       N_N1299  V_14.11  S_aQ    

assign (resid    5 and  name HE21 )(resid    5 and  name HG#  ) 3.3 1.5 0.0 ! A_       N_N1298  V_74.61  S_aQ    

assign (resid    5 and  name HE22 )(resid    5 and  name HB#  ) 6.0 4.2 0.0 ! A_o      N_N974   V_36.28  S_aQ    

assign (resid    5 and  name HG#  )(resid   23 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N1103  V_29.81  S_QA    

assign (resid    5 and  name HG#  )(resid   24 and  name HD#  ) 5.0 3.2 0.0 ! A_r      N_N1217  V_30.03  S_QP    

assign (resid    5 and  name HG#  )(resid   24 and  name HE#  ) 6.0 4.2 0.0 ! A_or     N_N963   V_58.27  S_QP    

assign (resid    5 and  name HN   )(resid    5 and  name HB#  ) 3.3 1.5 0.0 ! A_       N_N7     V_61.66  S_AQ    

assign (resid    6 and  name HA   )(resid   10 and  name HD#  ) 5.0 3.2 0.0 ! A_lr     N_N1012  V_64.99  S_AQ    

assign (resid    9 and  name HA   )(resid    9 and  name HB#  ) 2.7 0.9 0.0 ! A_       N_N996   V_247.6  S_AQ    

assign (resid    9 and  name HA   )(resid   10 and  name HD#  ) 5.0 3.2 0.0 ! A_lr     N_N1011  V_79.02  S_AQ    

assign (resid    9 and  name HB#  )(resid   10 and  name HD#  ) 6.0 4.2 0.0 ! A_o      N_N1016  V_14.73  S_Q1    

assign (resid    9 and  name HB#  )(resid   11 and  name HN   ) 6.0 4.2 0.0 ! A_r      N_N844   V_2.691  S_QA    

assign (resid   10 and  name HB2  )(resid   24 and  name HD#  ) 6.0 4.2 0.0 ! A_r      N_N965   V_9.967  S_2P    

assign (resid   10 and  name HB1  )(resid   24 and  name HD#  ) 6.0 4.2 0.0 ! A_or     N_N1221  V_7.13   S_1P    

assign (resid   10 and  name HB2  )(resid   24 and  name HE#  ) 6.0 4.2 0.0 ! A_or     N_N1222  V_29.52  S_2P    

assign (resid   10 and  name HB1  )(resid   24 and  name HE#  ) 6.0 4.2 0.0 ! A_or     N_N966   V_23.37  S_1P    

assign (resid   10 and  name HG1  )(resid   24 and  name HD#  ) 5.0 3.2 0.0 ! A_r      N_N968   V_10.67  S_1P    

assign (resid   10 and  name HG2  )(resid   24 and  name HD#  ) 5.0 3.2 0.0 ! A_r      N_N969   V_9.202  S_2P    

assign (resid   10 and  name HG1  )(resid   24 and  name HE#  ) 5.0 3.2 0.0 ! A_r      N_N1223  V_15.09  S_1P    

assign (resid   10 and  name HG2  )(resid   24 and  name HE#  ) 5.0 3.2 0.0 ! A_r      N_N1224  V_11.86  S_2P    

assign (resid   11 and  name HA   )(resid   24 and  name HE#  ) 6.0 4.2 0.0 ! A_or     N_N1210  V_2.47   S_AP    

assign (resid   11 and  name HB2  )(resid   17 and  name HB#  ) 5.0 3.2 0.0 ! A_r      N_N1386  V_10.21  S_SQ    

assign (resid   12 and  name HA   )(resid   12 and  name HB#  ) 5.0 3.2 0.0 ! A_l      N_N80    V_28.74  S_AQ    

assign (resid   12 and  name HB#  )(resid   12 and  name HG#  ) 2.7 0.9 1.0 ! A_       N_N327   V_87.97  S_Q1    

assign (resid   12 and  name HB#  )(resid   13 and  name HD21 ) 6.0 4.2 0.0 ! A_lr     N_N791   V_15.32  S_Qa    

assign (resid   12 and  name HB#  )(resid   13 and  name HD22 ) 6.0 4.2 0.0 ! A_lr     N_N906   V_8.457  S_Qa    

assign (resid   12 and  name HB#  )(resid   13 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N676   V_23.86  S_QA    

assign (resid   12 and  name HB#  )(resid   38 and  name HA   ) 5.0 3.2 0.0 ! A_lr     N_N1032  V_59.19  S_QA    

assign (resid   13 and  name HB1  )(resid   32 and  name HD#  ) 6.0 4.2 0.0 ! A_or     N_N1184  V_44.24  S_RP    

assign (resid   13 and  name HB1  )(resid   32 and  name HE#  ) 6.0 4.2 0.0 ! A_or     N_N1186  V_43.22  S_RP    

assign (resid   13 and  name HB2  )(resid   32 and  name HD#  ) 6.0 4.2 0.0 ! A_or     N_N935   V_35.72  S_SP    

assign (resid   13 and  name HB2  )(resid   32 and  name HE#  ) 6.0 4.2 0.0 ! A_or     N_N922   V_14.75  S_SP    

assign (resid   13 and  name HD21 )(resid   32 and  name HD#  ) 5.0 3.2 0.0 ! A_l      N_N798   V_23.52  S_aP    

assign (resid   13 and  name HD21 )(resid   32 and  name HE#  ) 5.0 3.2 0.0 ! A_r      N_N1285  V_24.43  S_aP   *M 4.3/5.5 

assign (resid   16 and  name HA   )(resid   17 and  name HB#  ) 5.0 3.2 0.0 ! A_r      N_N1484  V_17.05  S_AQ    

assign (resid   16 and  name HB1  )(resid   27 and  name HD#  ) 6.0 4.2 0.0 ! A_r      N_N1454  V_5.019  S_RP    

assign (resid   16 and  name HB2  )(resid   27 and  name HD#  ) 5.0 3.2 0.0 ! A_r      N_N889   V_12.25  S_SP    

assign (resid   17 and  name HA   )(resid   17 and  name HB#  ) 2.7 0.9 0.0 ! A_r      N_N117   V_84.58  S_AQ    

assign (resid   17 and  name HB#  )(resid   18 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N1409  V_24.82  S_QA    

assign (resid   17 and  name HB#  )(resid   26 and  name HA   ) 5.0 3.2 0.0 ! A_r      N_N985   V_9.083  S_QA    

assign (resid   17 and  name HN   )(resid   17 and  name HB#  ) 2.7 0.9 0.0 ! A_       N_N114   V_126.2  S_AQ    

assign (resid   18 and  name HB2  )(resid   18 and  name HG#  ) 5.0 3.2 0.0 ! A_or     N_N143   V_185.6  S_2Q    

assign (resid   18 and  name HB1  )(resid   18 and  name HG#  ) 5.0 3.2 0.0 ! A_o      N_N140   V_74.34  S_1Q    

assign (resid   18 and  name HB2  )(resid   27 and  name HD#  ) 6.0 4.2 0.0 ! A_or     N_N894   V_77.34  S_2P    

assign (resid   18 and  name HB1  )(resid   27 and  name HD#  ) 6.0 4.2 0.0 ! A_or     N_N893   V_29.59  S_1P    

assign (resid   18 and  name HB1  )(resid   27 and  name HE#  ) 5.0 3.2 0.0 ! A_r      N_N1200  V_31.05  S_1P    

assign (resid   18 and  name HB2  )(resid   27 and  name HE#  ) 5.0 3.2 0.0 ! A_or     N_N1201  V_71.83  S_2P    

assign (resid   18 and  name HD#  )(resid   18 and  name HE#  ) 5.0 3.2 0.0 ! A_       N_N136   V_25.25  S_QQ    

assign (resid   18 and  name HD#  )(resid   27 and  name HE#  ) 6.0 4.2 0.0 ! A_or     N_N895   V_52.48  S_QP    

assign (resid   18 and  name HD#  )(resid   27 and  name HZ   ) 5.0 3.2 0.0 ! A_or     N_N1202  V_56.45  S_QA    

assign (resid   18 and  name HG#  )(resid   18 and  name HD#  ) 3.3 1.5 0.0 ! A_lr     N_N145   V_416.5  S_QQ    

assign (resid   18 and  name HG#  )(resid   27 and  name HE#  ) 6.0 4.2 0.0 ! A_or     N_N896   V_34.83  S_QP    

assign (resid   18 and  name HG#  )(resid   27 and  name HZ   ) 6.0 4.2 0.0 ! A_or     N_N1203  V_34.64  S_QA    

assign (resid   18 and  name HN   )(resid   24 and  name HD#  ) 6.0 4.2 0.0 ! A_       N_N613   V_4.997  S_AP    

assign (resid   20 and  name HA   )(resid   20 and  name HG#  ) 3.3 1.5 0.0 ! A_r      N_N162   V_72.91  S_AQ    

assign (resid   20 and  name HB2  )(resid   20 and  name HG#  ) 3.3 1.5 0.0 ! A_lr     N_N166   V_186.2  S_RQ    

assign (resid   20 and  name HG#  )(resid   24 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N1139  V_27.02  S_QA    

assign (resid   20 and  name HG#  )(resid   25 and  name HB   ) 5.0 3.2 0.0 ! A_       N_N1365  V_14.5   S_QA    

assign (resid   20 and  name HG#  )(resid   25 and  name HD1# ) 6.0 4.2 0.5 ! A_       N_N1126  V_19.45  S_Qm    

assign (resid   20 and  name HG#  )(resid   25 and  name HG11 ) 6.0 4.2 0.0 ! A_       N_N1366  V_12.99  S_Q1    

assign (resid   20 and  name HG#  )(resid   25 and  name HG12 ) 6.0 4.2 0.0 ! A_       N_N1367  V_4.611  S_Q2    

assign (resid   20 and  name HG#  )(resid   25 and  name HG2# ) 6.0 4.2 0.5 ! A_       N_N1125  V_18.98  S_Qm    

assign (resid   20 and  name HG#  )(resid   25 and  name HN   ) 6.0 4.2 0.0 ! A_or     N_N660   V_37.5   S_QA    

assign (resid   20 and  name HN   )(resid   20 and  name HG#  ) 5.0 3.2 0.0 ! A_       N_N157   V_23.86  S_AQ    

assign (resid   22 and  name HA   )(resid   22 and  name HB#  ) 5.0 3.2 0.0 ! A_l      N_N1345  V_42.39  S_AQ    

assign (resid   22 and  name HA   )(resid   22 and  name HG#  ) 3.3 1.5 0.0 ! A_lr     N_N210   V_140.5  S_AQ    

assign (resid   23 and  name HA   )(resid   23 and  name HB#  ) 5.0 3.2 0.0 ! A_or     N_N218   V_175.7  S_AQ    

assign (resid   23 and  name HA   )(resid   24 and  name HD#  ) 5.0 3.2 0.0 ! A_r      N_N953   V_13.24  S_AP    

assign (resid   23 and  name HA   )(resid   24 and  name HE#  ) 6.0 4.2 0.0 ! A_or     N_N1209  V_6.721  S_AP    

assign (resid   23 and  name HB#  )(resid   23 and  name HG#  ) 5.0 3.2 1.0 ! A_o      N_N1160  V_372.2  S_Q1    

assign (resid   23 and  name HB#  )(resid   24 and  name HD#  ) 6.0 4.2 0.0 ! A_r      N_N1463  V_6.436  S_QP    

assign (resid   23 and  name HB#  )(resid   24 and  name HN   ) 5.0 3.2 0.0 ! A_lr     N_N770   V_64.3   S_QA    

assign (resid   24 and  name HD#  )(resid   24 and  name HB1  ) 3.3 1.5 0.0 ! A_       N_N959   V_78.89  S_PS    

assign (resid   24 and  name HD#  )(resid   24 and  name HB2  ) 3.3 1.5 0.0 ! A_       N_N1214  V_102.4  S_PR   *M 2.7/3.3 (ave) 

assign (resid   24 and  name HD#  )(resid   25 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N955   V_17.94  S_PA    

assign (resid   24 and  name HD#  )(resid   25 and  name HN   ) 5.0 3.2 0.0 ! A_       N_N1320  V_21.14  S_PA    

assign (resid   24 and  name HD#  )(resid   26 and  name HA   ) 6.0 4.2 0.0 ! A_       N_N951   V_3.294  S_PA    

assign (resid   24 and  name HD#  )(resid   26 and  name HN   ) 5.0 3.2 0.0 ! A_       N_N1318  V_8.113  S_PA    

assign (resid   24 and  name HD#  )(resid   36 and  name HD21 ) 6.0 4.2 0.0 ! A_o      N_N1225  V_32.27  S_Pa    

assign (resid   24 and  name HE#  )(resid   24 and  name HB1  ) 5.0 3.2 0.0 ! A_l      N_N1215  V_42.31  S_PS    

assign (resid   24 and  name HE#  )(resid   24 and  name HB2  ) 5.0 3.2 0.0 ! A_l      N_N958   V_41.23  S_PR    

assign (resid   24 and  name HE#  )(resid   25 and  name HA   ) 6.0 4.2 0.0 ! A_       N_N1211  V_8.844  S_PA   *M 5.0/6.0 

assign (resid   24 and  name HE#  )(resid   25 and  name HN   ) 6.0 4.2 0.0 ! A_       N_N1321  V_5.241  S_PA    

assign (resid   24 and  name HE#  )(resid   26 and  name HA   ) 6.0 4.2 0.0 ! A_       N_N1313  V_1.8    S_PA    

assign (resid   24 and  name HE#  )(resid   26 and  name HN   ) 6.0 4.2 0.0 ! A_       N_N1319  V_5.383  S_PA    

assign (resid   24 and  name HE#  )(resid   36 and  name HA   ) 6.0 4.2 0.0 ! A_o      N_N949   V_12.72  S_PA    

assign (resid   24 and  name HN   )(resid   24 and  name HD#  ) 5.0 3.2 0.0 ! A_       N_N771   V_28.82  S_AP    

assign (resid   24 and  name HN   )(resid   24 and  name HE#  ) 5.0 3.2 0.0 ! A_r      N_N1317  V_10.94  S_AP    

assign (resid   25 and  name HD1# )(resid   27 and  name HD#  ) 6.0 4.2 0.5 ! A_or     N_N899   V_40.32  S_mP    

assign (resid   25 and  name HD1# )(resid   27 and  name HE#  ) 6.0 4.2 0.5 ! A_or     N_N1204  V_40.32  S_mP    

assign (resid   25 and  name HG2# )(resid   27 and  name HD#  ) 6.0 4.2 0.5 ! A_or     N_N898   V_35.52  S_mP    

assign (resid   25 and  name HG2# )(resid   27 and  name HE#  ) 6.0 4.2 0.5 ! A_or     N_N1205  V_35.52  S_mP    

assign (resid   27 and  name HD#  )(resid   27 and  name HB1  ) 6.0 4.2 0.0 ! A_o      N_N891   V_29.94  S_PS    

assign (resid   27 and  name HD#  )(resid   27 and  name HB2  ) 6.0 4.2 0.0 ! A_o      N_N892   V_44.85  S_PR    

assign (resid   27 and  name HD#  )(resid   47 and  name H6#  ) 6.0 4.2 0.0 ! A_       N_N1455  V_6.408  S_Px    

assign (resid   27 and  name HE#  )(resid   27 and  name HB1  ) 6.0 4.2 0.0 ! A_o      N_N1198  V_29.94  S_PS    

assign (resid   27 and  name HE#  )(resid   27 and  name HB2  ) 5.0 3.2 0.0 ! A_l      N_N1199  V_44.91  S_PR    

assign (resid   27 and  name HN   )(resid   27 and  name HD#  ) 5.0 3.2 0.0 ! A_       N_N599   V_24.15  S_AP    

assign (resid   28 and  name HB1  )(resid   32 and  name HD#  ) 6.0 4.2 0.0 ! A_r      N_N929   V_4.539  S_RP    

assign (resid   29 and  name HA   )(resid   29 and  name HB#  ) 5.0 3.2 0.0 ! A_or     N_N319   V_86.04  S_AQ    

assign (resid   29 and  name HB#  )(resid   29 and  name HG   ) 5.0 3.2 0.0 ! A_o      N_N1364  V_853.4  S_QA    

assign (resid   29 and  name HB#  )(resid   31 and  name HN   ) 5.0 3.2 0.0 ! A_lr     N_N854   V_27.89  S_QA    

assign (resid   29 and  name HB#  )(resid   32 and  name HD#  ) 5.0 3.2 0.0 ! A_r      N_N934   V_31.48  S_QP    

assign (resid   29 and  name HB#  )(resid   32 and  name HE#  ) 6.0 4.2 0.0 ! A_r      N_N921   V_8.397  S_QP    

assign (resid   29 and  name HD*  )(resid   32 and  name HD#  ) 6.0 4.2 2.5 ! A_r      N_N937   V_11.67  S_1P    

assign (resid   29 and  name HD*  )(resid   32 and  name HE#  ) 6.0 4.2 2.5 ! A_r      N_N925   V_13.36  S_1P    

assign (resid   29 and  name HG   )(resid   32 and  name HD#  ) 6.0 4.2 0.0 ! A_or     N_N936   V_86.11  S_AP  *M 4.3/6.5  

assign (resid   29 and  name HG   )(resid   32 and  name HE#  ) 6.0 4.2 0.0 ! A_or     N_N923   V_19.33  S_AP    

assign (resid   29 and  name HN   )(resid   32 and  name HD#  ) 5.0 3.2 0.0 ! A_       N_N744   V_16.59  S_AP    

assign (resid   31 and  name HB#  )(resid   32 and  name HD#  ) 6.0 4.2 0.5 ! A_or     N_N938   V_49.37  S_mP    

assign (resid   31 and  name HB#  )(resid   32 and  name HE#  ) 6.0 4.2 0.5 ! A_or     N_N924   V_51.36  S_mP    

assign (resid   31 and  name HN   )(resid   32 and  name HD#  ) 5.0 3.2 0.0 ! A_r      N_N1330  V_26.18  S_AP    *M 4.3/5.5

assign (resid   32 and  name HA   )(resid   33 and  name HB#  ) 5.0 3.2 0.0 ! A_       N_N994   V_9.977  S_AQ    

assign (resid   32 and  name HD#  )(resid   32 and  name HB1  ) 5.0 3.2 0.0 ! A_o      N_N932   V_98.5   S_PS    

assign (resid   32 and  name HD#  )(resid   32 and  name HB2  ) 3.3 1.5 0.0 ! A_       N_N933   V_81.46  S_PR  *M 2.7/3.3  

assign (resid   32 and  name HD#  )(resid   33 and  name HN   ) 6.0 4.2 0.0 ! A_lr     N_N652   V_12.42  S_PA    

assign (resid   32 and  name HD#  )(resid   39 and  name HN   ) 5.0 3.2 0.0 ! A_       N_N1325  V_7.58   S_PA    

assign (resid   32 and  name HD#  )(resid   40 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N928   V_51.23  S_PA    

assign (resid   32 and  name HD#  )(resid   40 and  name HB#  ) 6.0 4.2 0.0 ! A_o      N_N931   V_48.24  S_PQ    

assign (resid   32 and  name HD#  )(resid   40 and  name HN   ) 6.0 4.2 0.0 ! A_lr     N_N1413  V_5.312  S_PA    

assign (resid   32 and  name HD#  )(resid   41 and  name HN   ) 5.0 3.2 0.0 ! A_       N_N1322  V_9.099  S_PA    

assign (resid   32 and  name HE#  )(resid   32 and  name HB1  ) 5.0 3.2 0.0 ! A_l      N_N919   V_23.48  S_PS    

assign (resid   32 and  name HE#  )(resid   32 and  name HB2  ) 5.0 3.2 0.0 ! A_       N_N920   V_9.668  S_PR    

assign (resid   32 and  name HE#  )(resid   40 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N917   V_13.33  S_PA    

assign (resid   32 and  name HE#  )(resid   40 and  name HB#  ) 6.0 4.2 0.0 ! A_l      N_N918   V_36.53  S_PQ    

assign (resid   32 and  name HN   )(resid   32 and  name HD#  ) 5.0 3.2 0.0 ! A_       N_N785   V_37.77  S_AP    

assign (resid   32 and  name HN   )(resid   32 and  name HE#  ) 6.0 4.2 0.0 ! A_       N_N1281  V_3.975  S_AP    

assign (resid   32 and  name HZ   )(resid   40 and  name HB#  ) 6.0 4.2 0.0 ! A_o      N_N914   V_12.95  S_AQ    

assign (resid   33 and  name HA   )(resid   33 and  name HB#  ) 3.3 1.5 0.0 ! A_lr     N_N397   V_153.5  S_AQ    

assign (resid   33 and  name HB#  )(resid   34 and  name HN   ) 3.3 1.5 0.0 ! A_r      N_N809   V_102.7  S_QA      *M 2.7/3.3

assign (resid   33 and  name HB#  )(resid   39 and  name HB   ) 5.0 3.2 0.0 ! A_o      N_N1047  V_72.73  S_QA    

assign (resid   33 and  name HB#  )(resid   39 and  name HG2# ) 6.0 4.2 0.5 ! A_o      N_N1045  V_54.02  S_Qm    

assign (resid   33 and  name HB#  )(resid   41 and  name HA   ) 5.0 3.2 0.0 ! A_r      N_N1351  V_29.7   S_QA    

assign (resid   33 and  name HB#  )(resid   41 and  name HB1  ) 5.0 3.2 0.0 ! A_o      N_N1368  V_62.79  S_QS    

assign (resid   33 and  name HB#  )(resid   41 and  name HB2  ) 5.0 3.2 0.0 ! A_       N_N1133  V_10.95  S_QR    

assign (resid   33 and  name HB#  )(resid   41 and  name HE#  ) 5.0 3.2 0.0 ! A_       N_N1082  V_22.52  S_QQ    

assign (resid   33 and  name HB#  )(resid   41 and  name HG#  ) 5.0 3.2 1.0 ! A_       N_N1134  V_50.57  S_Q2    

assign (resid   33 and  name HG#  )(resid   34 and  name HN   ) 3.3 1.5 0.0 ! A_lr     N_N810   V_97.82  S_QA    

assign (resid   33 and  name HG#  )(resid   39 and  name HG2# ) 6.0 4.2 0.5 ! A_l      N_N1046  V_24.68  S_Qm    

assign (resid   35 and  name HA   )(resid   35 and  name HD#  ) 5.0 3.2 0.0 ! A_       N_N410   V_36.96  S_AQ    

assign (resid   35 and  name HB2  )(resid   35 and  name HD#  ) 5.0 3.2 0.0 ! A_       N_N420   V_56.99  S_2Q    

assign (resid   35 and  name HB1  )(resid   35 and  name HD#  ) 5.0 3.2 0.0 ! A_       N_N419   V_31.4   S_1Q    

assign (resid   35 and  name HB1  )(resid   35 and  name HG#  ) 5.0 3.2 0.0 ! A_l      N_N425   V_131    S_1Q    

assign (resid   35 and  name HB2  )(resid   35 and  name HG#  ) 5.0 3.2 0.0 ! A_o      N_N426   V_538.6  S_2Q    

assign (resid   35 and  name HE   )(resid   35 and  name HD#  ) 5.0 3.2 0.0 ! A_       N_N430   V_29.47  S_AQ    

assign (resid   35 and  name HE   )(resid   35 and  name HG#  ) 5.0 3.2 0.0 ! A_       N_N433   V_13.07  S_AQ    

assign (resid   35 and  name HG#  )(resid   35 and  name HD#  ) 5.0 3.2 0.0 ! A_       N_N421   V_63.35  S_QQ    

assign (resid   35 and  name HG#  )(resid   36 and  name HD22 ) 6.0 4.2 0.0 ! A_or     N_N942   V_21.07  S_Qa    

assign (resid   39 and  name HA   )(resid   40 and  name HB#  ) 6.0 4.2 0.0 ! A_r      N_N1092  V_4.852  S_AQ    

assign (resid   39 and  name HG2# )(resid   40 and  name HB#  ) 6.0 4.2 0.5 ! A_       N_N1089  V_3.002  S_mQ    

assign (resid   40 and  name HA   )(resid   40 and  name HB#  ) 3.3 1.5 0.0 ! A_r      N_N499   V_68.9   S_AQ    

assign (resid   40 and  name HB#  )(resid   42 and  name HN   ) 6.0 4.2 0.0 ! A_r      N_N751   V_3.408  S_QA    

assign (resid   40 and  name HD2  )(resid   40 and  name HB#  ) 5.0 3.2 0.0 ! A_       N_N1310  V_12.76  S_AQ    

assign (resid   40 and  name HE1  )(resid   40 and  name HB#  ) 6.0 4.2 0.0 ! A_       N_N728   V_1.9    S_AQ    

assign (resid   40 and  name HN   )(resid   40 and  name HB#  ) 3.3 1.5 0.0 ! A_l      N_N497   V_115.2  S_AQ    

assign (resid   41 and  name HB1  )(resid   41 and  name HE#  ) 5.0 3.2 0.0 ! A_or     N_N1195  V_60.84  S_SQ    

assign (resid   41 and  name HB2  )(resid   41 and  name HE#  ) 5.0 3.2 0.0 ! A_       N_N528   V_8.485  S_RQ    

assign (resid   41 and  name HD#  )(resid   41 and  name HE#  ) 6.0 4.2 0.0 ! A_o      N_N522   V_45.99  S_QQ    

assign (resid   41 and  name HG#  )(resid   41 and  name HD#  ) 2.7 0.9 1.0 ! A_r      N_N525   V_81.35  S_2Q    

assign (resid   41 and  name HG1  )(resid   41 and  name HE#  ) 5.0 3.2 0.0 ! A_       N_N534   V_14.72  S_1Q    

assign (resid   41 and  name HG2  )(resid   41 and  name HE#  ) 5.0 3.2 0.0 ! A_       N_N539   V_19.17  S_2Q    

assign (resid   41 and  name HN   )(resid   41 and  name HD#  ) 6.0 4.2 0.0 ! A_o      N_N1197  V_31.55  S_AQ    

assign (resid   45 and  name HA   )(resid   45 and  name HB#  ) 6.0 4.2 0.0 ! A_o      N_N567   V_11.06  S_AQ    

CLASSIFICATION cent 

assign (resid    1 and  name HA   )(resid    1 and  name HG#  ) 2.7 0.9 1.0 ! A_       N_N1161  V_67     S_A1    

assign (resid    4 and  name HB2  )(resid    5 and  name HN   ) 5.0 3.2 0.0 ! A_or     N_N1255  V_25.44  S_2A    *M 6.5/5.5

assign (resid    4 and  name HB1  )(resid    5 and  name HN   ) 5.0 3.2 0.0 ! A_or     N_N699   V_27.86  S_1A    *M 6.5/5.5

assign (resid    4 and  name HB1  )(resid    7 and  name HB#  ) 5.0 3.2 0.5 ! A_       N_N1380  V_13.03  S_1m    *M 6.5/5.5

assign (resid    4 and  name HB2  )(resid    7 and  name HB#  ) 5.0 3.2 0.5 ! A_       N_N1379  V_9.013  S_2m    *M 6.5/5.5

assign (resid    4 and  name HN   )(resid    4 and  name HA   ) 5.0 3.2 0.0 ! A_o      N_N1     V_320.4  S_AA    

assign (resid    5 and  name HA   )(resid    5 and  name HE21 ) 6.0 4.2 0.0 ! A_or     N_N861   V_23.93  S_Aa    

assign (resid    5 and  name HA   )(resid    5 and  name HE22 ) 6.0 4.2 0.0 ! A_or     N_N977   V_22.49  S_Aa    

assign (resid    5 and  name HA   )(resid   24 and  name HB1  ) 5.0 3.2 0.0 ! A_l      N_N1021  V_17.56  S_AS    

assign (resid    5 and  name HE21 )(resid   23 and  name HA   ) 6.0 4.2 0.0 ! A_       N_N862   V_3.363  S_aA    

assign (resid    5 and  name HE22 )(resid   23 and  name HA   ) 6.0 4.2 0.0 ! A_o      N_N976   V_6.902  S_aA    

assign (resid    5 and  name HN   )(resid    5 and  name HA   ) 3.3 1.5 0.0 ! A_       N_N4     V_26.26  S_AA   *M 4.3/3.3

assign (resid    5 and  name HN   )(resid    6 and  name HN   ) 3.3 1.5 0.0 ! A_or     N_N628   V_107.6  S_AA   *M 4.3/3.3 

assign (resid    6 and  name HA   )(resid    8 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N846   V_3.798  S_AA    

assign (resid    6 and  name HA   )(resid    9 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N820   V_9.821  S_AA    

assign (resid    6 and  name HA   )(resid   10 and  name HG#  ) 5.0 3.2 1.0 ! A_r      N_N1178  V_18.33  S_A2    

assign (resid    6 and  name HA   )(resid   17 and  name HB1  ) 6.0 4.2 0.0 ! A_or     N_N1389  V_35.89  S_A1    

assign (resid    6 and  name HA   )(resid   17 and  name HB2  ) 6.0 4.2 0.0 ! A_lr     N_N1100  V_9.873  S_A2    

assign (resid    6 and  name HN   )(resid    6 and  name HA   ) 5.0 3.2 0.0 ! A_o      N_N16    V_46.93  S_AA    

assign (resid    6 and  name HN   )(resid    6 and  name HB2  ) 3.3 1.5 0.0 ! A_       N_N614   V_49.07  S_A2  *M 1/2 switched  

assign (resid    6 and  name HN   )(resid    6 and  name HB1  ) 5.0 3.2 0.0 ! A_       N_N615   V_38.68  S_A1  *M 3.3/4.3  

assign (resid    6 and  name HN   )(resid    7 and  name HB#  ) 6.0 4.2 0.5 ! A_       N_N623   V_5.234  S_Am    

assign (resid    6 and  name HN   )(resid    7 and  name HN   ) 2.7 0.9 0.0 ! A_       N_N629   V_41.35  S_AA    

assign (resid    6 and  name HN   )(resid   19 and  name HA   ) 5.0 3.2 0.0 ! A_o      N_N621   V_47.77  S_AA    *M 4.3/5.5 (OBT)

assign (resid    7 and  name HB#  )(resid    8 and  name HA   ) 6.0 4.2 0.5 ! A_       N_N1085  V_4.226  S_mA    

assign (resid    7 and  name HB#  )(resid    9 and  name HN   ) 6.0 4.2 0.5 ! A_r      N_N823   V_7.838  S_mA    

assign (resid    7 and  name HN   )(resid    7 and  name HA   ) 5.0 3.2 0.0 ! A_o      N_N802   V_45.28  S_AA    

assign (resid    7 and  name HN   )(resid    8 and  name HN   ) 5.0 3.2 0.0 ! A_o      N_N808   V_80.81  S_AA    

assign (resid    8 and  name HB1  )(resid    8 and  name HG#  ) 5.0 3.2 1.0 ! A_l      N_N1157  V_220.8  S_11    

assign (resid    8 and  name HB2  )(resid    8 and  name HG#  ) 5.0 3.2 1.0 ! A_o      N_N1158  V_296.7  S_21    

assign (resid    8 and  name HN   )(resid    8 and  name HA   ) 5.0 3.2 0.0 ! A_l      N_N25    V_22.05  S_AA    

assign (resid    8 and  name HN   )(resid    9 and  name HN   ) 2.7 0.9 0.0 ! A_       N_N1290  V_48.67  S_AA    

assign (resid    8 and  name HN   )(resid   10 and  name HD2  ) 6.0 4.2 0.0 ! A_o      N_N1304  V_9.699  S_A2    

assign (resid    8 and  name HN   )(resid   10 and  name HD1  ) 6.0 4.2 0.0 ! A_o      N_N845   V_7.67   S_A1    

assign (resid    9 and  name HA   )(resid   11 and  name HN   ) 5.0 3.2 0.0 ! A_or     N_N833   V_30.94  S_AA    

assign (resid    9 and  name HN   )(resid    9 and  name HA   ) 2.7 0.9 0.0 ! A_       N_N31    V_176.7  S_AA    

assign (resid    9 and  name HN   )(resid   10 and  name HD2  ) 5.0 3.2 0.0 ! A_o      N_N1289  V_49.97  S_A2    

assign (resid    9 and  name HN   )(resid   10 and  name HD1  ) 5.0 3.2 0.0 ! A_o      N_N824   V_48.47  S_A1    

assign (resid   10 and  name HA   )(resid   12 and  name HE21 ) 5.0 3.2 0.0 ! A_r      N_N878   V_7.019  S_Aa    

assign (resid   10 and  name HB2  )(resid   10 and  name HD2  ) 5.0 3.2 0.0 ! A_r      N_N1354  V_12.73  S_22    

assign (resid   10 and  name HB1  )(resid   10 and  name HD2  ) 5.0 3.2 0.0 ! A_r      N_N1355  V_12.12  S_12    

assign (resid   10 and  name HB2  )(resid   10 and  name HD1  ) 5.0 3.2 0.0 ! A_r      N_N42    V_11.13  S_21    

assign (resid   10 and  name HB1  )(resid   10 and  name HD1  ) 5.0 3.2 0.0 ! A_l      N_N53    V_17.46  S_11    

assign (resid   10 and  name HB#  )(resid   10 and  name HG#  ) 3.3 1.5 0.0 ! A_       N_N45    V_54.72  S_12    

assign (resid   10 and  name HB2  )(resid   36 and  name HD21 ) 6.0 4.2 0.0 ! A_r      N_N868   V_8.995  S_2a    

assign (resid   10 and  name HB1  )(resid   36 and  name HD21 ) 6.0 4.2 0.0 ! A_or     N_N1315  V_2.654  S_1a    

assign (resid   10 and  name HB#  )(resid   36 and  name HD22 ) 6.0 4.2 1.0 ! A_or     N_N943   V_22.98  S_2a    

assign (resid   10 and  name HD1  )(resid   11 and  name HN   ) 6.0 4.2 0.0 ! A_or     N_N834   V_34.75  S_1A    

assign (resid   10 and  name HD2  )(resid   11 and  name HN   ) 6.0 4.2 0.0 ! A_or     N_N1296  V_24.56  S_2A    

assign (resid   10 and  name HG2  )(resid   10 and  name HD2  ) 5.0 3.2 0.0 ! A_lr     N_N1352  V_41.59  S_22    

assign (resid   10 and  name HG2  )(resid   10 and  name HD1  ) 5.0 3.2 0.0 ! A_lr     N_N40    V_41.78  S_21    

assign (resid   10 and  name HG1  )(resid   10 and  name HD1  ) 5.0 3.2 0.0 ! A_lr     N_N41    V_46.56  S_11    

assign (resid   10 and  name HG1  )(resid   10 and  name HD2  ) 5.0 3.2 0.0 ! A_lr     N_N1353  V_39.54  S_12    

assign (resid   10 and  name HG1  )(resid   11 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N837   V_33.01  S_1A    

assign (resid   10 and  name HG2  )(resid   11 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N838   V_10.04  S_2A    

assign (resid   11 and  name HA   )(resid   11 and  name HB1  ) 2.7 0.9 0.0 ! A_r      N_N66    V_69.73  S_AR    

assign (resid   11 and  name HA   )(resid   12 and  name HN   ) 2.7 0.9 0.0 ! A_r      N_N735   V_170.9  S_AA    

assign (resid   11 and  name HA   )(resid   36 and  name HA   ) 5.0 3.2 0.0 ! A_r      N_N978   V_27.95  S_AA    

assign (resid   11 and  name HA   )(resid   36 and  name HB1  ) 5.0 3.2 0.0 ! A_r      N_N1015  V_17.89  S_AR    

assign (resid   11 and  name HB1  )(resid   12 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N742   V_16.12  S_RA    

assign (resid   11 and  name HB1  )(resid   15 and  name HA#  ) 3.3 1.5 1.0 ! A_       N_N1062  V_35.24  S_R2    

assign (resid   11 and  name HB1  )(resid   15 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N881   V_5.538  S_RA    

assign (resid   11 and  name HB1  )(resid   26 and  name HB1  ) 3.3 1.5 0.0 ! A_r      N_N1058  V_30.36  S_RR    

assign (resid   11 and  name HB1  )(resid   26 and  name HB2  ) 5.0 3.2 0.0 ! A_       N_N1061  V_4.773  S_RS    

assign (resid   11 and  name HB2  )(resid   15 and  name HA#  ) 5.0 3.2 1.0 ! A_       N_N1102  V_18.2   S_S2    

assign (resid   11 and  name HB2  )(resid   15 and  name HN   ) 6.0 4.2 0.0 ! A_r      N_N879   V_2.933  S_SA    

assign (resid   11 and  name HN   )(resid   11 and  name HA   ) 3.3 1.5 0.0 ! A_       N_N59    V_31.71  S_AA    

assign (resid   11 and  name HN   )(resid   11 and  name HB2  ) 2.7 0.9 0.0 ! A_       N_N60    V_52.73  S_AS    

assign (resid   11 and  name HN   )(resid   17 and  name HB#  ) 5.0 3.2 1.0 ! A_       N_N839   V_11.24  S_A2    

assign (resid   12 and  name HA   )(resid   13 and  name HN   ) 3.3 1.5 0.0 ! A_lr     N_N673   V_126.6  S_AA    

assign (resid   12 and  name HA   )(resid   14 and  name HN   ) 6.0 4.2 0.0 ! A_or     N_N712   V_25.95  S_AA    

assign (resid   12 and  name HE21 )(resid   36 and  name HB1  ) 5.0 3.2 0.0 ! A_       N_N876   V_5.203  S_aR    

assign (resid   12 and  name HE22 )(resid   38 and  name HB1  ) 5.0 3.2 0.0 ! A_       N_N947   V_4.36   S_aS    

assign (resid   12 and  name HE22 )(resid   38 and  name HB2  ) 6.0 4.2 0.0 ! A_o      N_N946   V_21.49  S_aR    

assign (resid   12 and  name HG#  )(resid   13 and  name HD21 ) 5.0 3.2 1.0 ! A_lr     N_N793   V_28.2   S_2a  *M 4.3/5.5  

assign (resid   12 and  name HG#  )(resid   13 and  name HD22 ) 5.0 3.2 1.0 ! A_r      N_N904   V_13.29  S_2a  *M 4.3/5.5  

assign (resid   12 and  name HG2  )(resid   13 and  name HN   ) 5.0 3.2 0.0 ! A_lr     N_N675   V_71.57  S_2A    

assign (resid   12 and  name HG1  )(resid   13 and  name HN   ) 5.0 3.2 0.0 ! A_lr     N_N674   V_14.27  S_1A    

assign (resid   12 and  name HG#  )(resid   38 and  name HA   ) 3.3 1.5 1.0 ! A_r      N_N1049  V_36.86  S_2A    

assign (resid   12 and  name HN   )(resid   12 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N71    V_25.59  S_AA    

assign (resid   12 and  name HN   )(resid   12 and  name HG1  ) 5.0 3.2 0.0 ! A_       N_N72    V_70.42  S_A1    

assign (resid   12 and  name HN   )(resid   12 and  name HG2  ) 5.0 3.2 0.0 ! A_o      N_N73    V_42.22  S_A2    

assign (resid   12 and  name HN   )(resid   36 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N743   V_4.786  S_AA    

assign (resid   12 and  name HN   )(resid   37 and  name HB1  ) 6.0 4.2 0.0 ! A_o      N_N738   V_21.82  S_AR    

assign (resid   12 and  name HN   )(resid   37 and  name HB2  ) 3.3 1.5 0.0 ! A_l      N_N737   V_47.42  S_AS    

assign (resid   13 and  name HB1  )(resid   32 and  name HZ   ) 5.0 3.2 0.0 ! A_or     N_N1188  V_32.6   S_RA    

assign (resid   13 and  name HB1  )(resid   40 and  name HE1  ) 6.0 4.2 0.0 ! A_r      N_N727   V_3.363  S_RA    

assign (resid   13 and  name HB2  )(resid   32 and  name HZ   ) 6.0 4.2 0.0 ! A_or     N_N912   V_21.64  S_SA    

assign (resid   13 and  name HD21 )(resid   37 and  name HB1  ) 5.0 3.2 0.0 ! A_       N_N795   V_9.539  S_aR    

assign (resid   13 and  name HD21 )(resid   38 and  name HA   ) 2.7 0.9 0.0 ! A_       N_N797   V_40.59  S_aA    

assign (resid   13 and  name HD22 )(resid   38 and  name HA   ) 5.0 3.2 0.0 ! A_o      N_N903   V_47.03  S_aA    

assign (resid   13 and  name HN   )(resid   13 and  name HA   ) 2.7 0.9 0.0 ! A_       N_N83    V_151.3  S_AA    

assign (resid   13 and  name HN   )(resid   13 and  name HD21 ) 5.0 3.2 0.0 ! A_       N_N679   V_4.798  S_Aa    

assign (resid   13 and  name HN   )(resid   13 and  name HD22 ) 6.0 4.2 0.0 ! A_o      N_N681   V_5.769  S_Aa    

assign (resid   13 and  name HN   )(resid   14 and  name HN   ) 3.3 1.5 0.0 ! A_       N_N678   V_30.64  S_AA    

assign (resid   13 and  name HN   )(resid   15 and  name HN   ) 6.0 4.2 0.0 ! A_o      N_N680   V_6.64   S_AA    

assign (resid   14 and  name HA2  )(resid   29 and  name HD1#  ) 5.0 3.2 2.5 ! A_       N_N1024  V_17.7   S_21   *M HD1# 

assign (resid   14 and  name HA1  )(resid   29 and  name HD1#  ) 5.0 3.2 2.5 ! A_l      N_N1023  V_64.61  S_11   *M HD1# 

assign (resid   14 and  name HA#  )(resid   47 and  name H3   ) 5.0 3.2 1.0 ! A_or     N_N1490  V_29.07  S_2x    

assign (resid   14 and  name HN   )(resid   15 and  name HN   ) 2.7 0.9 0.0 ! A_       N_N714   V_45.32  S_AA    

assign (resid   15 and  name HA1  )(resid   16 and  name HN   ) 3.3 1.5 0.0 ! A_r      N_N730   V_105    S_1A    

assign (resid   15 and  name HA2  )(resid   16 and  name HN   ) 2.7 0.9 0.0 ! A_r      N_N731   V_59.14  S_2A    *M HA2

assign (resid   15 and  name HA2  )(resid   28 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N1150  V_28.18  S_2A    

assign (resid   15 and  name HA1  )(resid   28 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N1151  V_9.649  S_1A    

assign (resid   15 and  name HA#  )(resid   29 and  name HN   ) 5.0 3.2 1.0 ! A_r      N_N1265  V_10.27  S_1A    

assign (resid   15 and  name HN   )(resid   15 and  name HA2  ) 3.3 1.5 0.0 ! A_       N_N103   V_42     S_A1 *M 2.7/3.3

assign (resid   15 and  name HN   )(resid   15 and  name HA1  ) 2.7 0.9 0.0 ! A_       N_N104   V_85.72  S_A2 *M HA1/HA2 switched

assign (resid   16 and  name HA   )(resid   17 and  name HN   ) 3.3 1.5 0.0 ! A_lr     N_N1414  V_196.3  S_AA    

assign (resid   16 and  name HA   )(resid   47 and  name H3   ) 5.0 3.2 0.0 ! A_lr     N_N1497  V_11.11  S_Ax    

assign (resid   16 and  name HB1  )(resid   27 and  name HB1  ) 5.0 3.2 0.0 ! A_       N_N1477  V_9.796  S_RS    

assign (resid   16 and  name HB1  )(resid   27 and  name HB2  ) 3.3 1.5 0.0 ! A_       N_N1476  V_30.89  S_RR    

assign (resid   16 and  name HB1  )(resid   27 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N594   V_7.074  S_RA    

assign (resid   16 and  name HB1  )(resid   47 and  name H1   ) 2.7 0.9 0.0 ! A_       N_N1479  V_83.34  S_Rx    

assign (resid   16 and  name HB2  )(resid   27 and  name HB1  ) 5.0 3.2 0.0 ! A_       N_N1014  V_19.94  S_SS    

assign (resid   16 and  name HB2  )(resid   27 and  name HB2  ) 2.7 0.9 0.0 ! A_       N_N1013  V_50.37  S_SR    

assign (resid   16 and  name HB2  )(resid   27 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N1408  V_5.575  S_SA    

assign (resid   16 and  name HB2  )(resid   47 and  name H1   ) 3.3 1.5 0.0 ! A_       N_N1478  V_58.34  S_Sx   *M 2.7/3.3 

assign (resid   16 and  name HB2  )(resid   47 and  name H6#  ) 6.0 4.2 0.0 ! A_or     N_N1493  V_29.61  S_Sx    

assign (resid   16 and  name HN   )(resid   16 and  name HA   ) 5.0 3.2 0.0 ! A_o      N_N109   V_67.24  S_AA    

assign (resid   16 and  name HN   )(resid   16 and  name HB2  ) 3.3 1.5 0.0 ! A_l      N_N1415  V_55.53  S_AS    

assign (resid   16 and  name HN   )(resid   26 and  name HA   ) 6.0 4.2 0.0 ! A_l      N_N734   V_9.609  S_AA    

assign (resid   16 and  name HN   )(resid   27 and  name HB1  ) 5.0 3.2 0.0 ! A_       N_N732   V_5.664  S_AS    

assign (resid   16 and  name HN   )(resid   27 and  name HB2  ) 5.0 3.2 0.0 ! A_       N_N733   V_20.07  S_AR    

assign (resid   16 and  name HN   )(resid   27 and  name HN   ) 3.3 1.5 0.0 ! A_       N_N1262  V_29.83  S_AA    

assign (resid   16 and  name HN   )(resid   47 and  name H1   ) 5.0 3.2 0.0 ! A_       N_N1417  V_7.131  S_Ax    

assign (resid   16 and  name HN   )(resid   47 and  name H4   ) 5.0 3.2 0.0 ! A_       N_N1419  V_5.637  S_Ax    

assign (resid   16 and  name HN   )(resid   47 and  name H5   ) 3.3 1.5 0.0 ! A_       N_N1418  V_31.79  S_Ax    

assign (resid   16 and  name HN   )(resid   47 and  name H6#  ) 5.0 3.2 0.0 ! A_       N_N1423  V_15.28  S_Ax    

assign (resid   17 and  name HA   )(resid   18 and  name HN   ) 2.7 0.9 0.0 ! A_r      N_N600   V_148.8  S_AA    

assign (resid   17 and  name HA   )(resid   26 and  name HA   ) 2.7 0.9 0.0 ! A_r      N_N982   V_76.91  S_AA    

assign (resid   17 and  name HA   )(resid   27 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N590   V_28.37  S_AA   *M 3.3/4.3 

assign (resid   17 and  name HN   )(resid   17 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N112   V_22.79  S_AA    

assign (resid   17 and  name HN   )(resid   26 and  name HA   ) 6.0 4.2 0.0 ! A_l      N_N690   V_7.254  S_AA    

assign (resid   18 and  name HB2  )(resid   25 and  name HD1# ) 6.0 4.2 0.5 ! A_lr     N_N1360  V_7.417  S_2m    

assign (resid   18 and  name HB1  )(resid   25 and  name HD1# ) 6.0 4.2 0.5 ! A_r      N_N1361  V_5.865  S_1m    

assign (resid   18 and  name HB2  )(resid   25 and  name HG2# ) 5.0 3.2 0.5 ! A_       N_N1129  V_17.85  S_2m    

assign (resid   18 and  name HB1  )(resid   25 and  name HG2# ) 5.0 3.2 0.5 ! A_       N_N1130  V_17     S_1m    

assign (resid   18 and  name HB1  )(resid   25 and  name HN   ) 6.0 4.2 0.0 ! A_r      N_N1436  V_8.29   S_1A    

assign (resid   18 and  name HB2  )(resid   25 and  name HN   ) 6.0 4.2 0.0 ! A_lr     N_N1435  V_5.676  S_2A    

assign (resid   18 and  name HN   )(resid   18 and  name HA   ) 3.3 1.5 0.0 ! A_       N_N121   V_34.98  S_AA    

assign (resid   18 and  name HN   )(resid   18 and  name HB1  ) 3.3 1.5 0.0 ! A_       N_N123   V_31.96  S_A1    

assign (resid   18 and  name HN   )(resid   18 and  name HB2  ) 3.3 1.5 0.0 ! A_       N_N124   V_28.62  S_A2    

assign (resid   18 and  name HN   )(resid   25 and  name HG2# ) 6.0 4.2 0.5 ! A_       N_N607   V_5.322  S_Am    

assign (resid   18 and  name HN   )(resid   25 and  name HN   ) 5.0 3.2 0.0 ! A_       N_N609   V_27.29  S_AA    

assign (resid   18 and  name HN   )(resid   26 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N601   V_20.13  S_AA    

assign (resid   19 and  name HA   )(resid   24 and  name HA   ) 3.3 1.5 0.0 ! A_r      N_N986   V_46.77  S_AA    *M 2.7/3.3

assign (resid   19 and  name HA   )(resid   24 and  name HB2  ) 6.0 4.2 0.0 ! A_or     N_N1156  V_23.49  S_AR    

assign (resid   19 and  name HN   )(resid   19 and  name HA   ) 5.0 3.2 0.0 ! A_o      N_N153   V_90.63  S_AA    

assign (resid   19 and  name HN   )(resid   19 and  name HB2  ) 5.0 3.2 0.0 ! A_l      N_N151   V_65.49  S_A2    *M 3.3/4.3

assign (resid   19 and  name HN   )(resid   19 and  name HB1  ) 3.3 1.5 0.0 ! A_l      N_N152   V_77.27  S_A1    

assign (resid   20 and  name HA   )(resid   20 and  name HB1  ) 2.7 0.9 0.0 ! A_r      N_N163   V_51.74  S_AS    

assign (resid   20 and  name HA   )(resid   20 and  name HB2  ) 3.3 1.5 0.0 ! A_r      N_N164   V_43.52  S_AR      *M 2.7/3.3

assign (resid   20 and  name HA   )(resid   20 and  name HE21 ) 6.0 4.2 0.0 ! A_r      N_N1457  V_2.993  S_Aa    

assign (resid   20 and  name HA   )(resid   20 and  name HE22 ) 6.0 4.2 0.0 ! A_r      N_N1458  V_-3.874 S_Aa    

assign (resid   20 and  name HA   )(resid   21 and  name HN   ) 3.3 1.5 0.0 ! A_r      N_N682   V_38.43  S_AA    

assign (resid   20 and  name HB1  )(resid   21 and  name HN   ) 2.7 0.9 0.0 ! A_r      N_N684   V_65.84  S_SA    

assign (resid   20 and  name HB1  )(resid   24 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N1140  V_10.06  S_SA    

assign (resid   20 and  name HB1  )(resid   25 and  name HD1# ) 6.0 4.2 0.5 ! A_       N_N1127  V_9.692  S_Sm    

assign (resid   20 and  name HB1  )(resid   25 and  name HG2# ) 6.0 4.2 0.5 ! A_       N_N1128  V_4.845  S_Sm    

assign (resid   20 and  name HB2  )(resid   21 and  name HN   ) 5.0 3.2 0.0 ! A_or     N_N683   V_47.69  S_RA    

assign (resid   20 and  name HB2  )(resid   24 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N1141  V_9.732  S_RA    

assign (resid   20 and  name HB2  )(resid   25 and  name HD1# ) 5.0 3.2 0.5 ! A_       N_N1124  V_18.06  S_Rm    

assign (resid   20 and  name HB2  )(resid   25 and  name HG2# ) 5.0 3.2 0.5 ! A_       N_N1123  V_13.54  S_Rm    

assign (resid   20 and  name HB2  )(resid   25 and  name HN   ) 6.0 4.2 0.0 ! A_r      N_N1438  V_3.383  S_RA    

assign (resid   20 and  name HE21 )(resid   25 and  name HD1# ) 6.0 4.2 0.5 ! A_o      N_N887   V_6.438  S_am    

assign (resid   20 and  name HE21 )(resid   25 and  name HG2# ) 6.0 4.2 0.5 ! A_o      N_N885   V_4.4    S_am    

assign (resid   20 and  name HE22 )(resid   25 and  name HD1# ) 6.0 4.2 0.5 ! A_       N_N970   V_5.468  S_am    

assign (resid   20 and  name HE22 )(resid   25 and  name HG2# ) 6.0 4.2 0.5 ! A_       N_N971   V_2.637  S_am    

assign (resid   20 and  name HN   )(resid   20 and  name HA   ) 3.3 1.5 0.0 ! A_l      N_N156   V_113.7  S_AA    

assign (resid   20 and  name HN   )(resid   23 and  name HN   ) 6.0 4.2 0.0 ! A_       N_N778   V_8.01   S_AA  *M 

assign (resid   20 and  name HN   )(resid   24 and  name HA   ) 5.0 3.2 0.0 ! A_o      N_N774   V_89.29  S_AA    

assign (resid   20 and  name HN   )(resid   24 and  name HB1  ) 5.0 3.2 0.0 ! A_o      N_N1179  V_35.6   S_AS    

assign (resid   20 and  name HN   )(resid   24 and  name HB2  ) 5.0 3.2 0.0 ! A_       N_N775   V_4.307  S_AR    

assign (resid   20 and  name HN   )(resid   25 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N663   V_9.912  S_AA    

assign (resid   21 and  name HA   )(resid   21 and  name HB#  ) 5.0 3.2 0.0 ! A_r      N_N182   V_58.54  S_A1    

assign (resid   21 and  name HA   )(resid   21 and  name HB#  ) 5.0 3.2 0.0 ! A_o      N_N1348  V_75.67  S_A2    

assign (resid   21 and  name HA   )(resid   21 and  name HD1# ) 5.0 3.2 0.5 ! A_r      N_N196   V_36.16  S_A1    

assign (resid   21 and  name HA   )(resid   21 and  name HD2# ) 5.0 3.2 0.5 ! A_r      N_N197   V_39.42  S_A2    

assign (resid   21 and  name HN   )(resid   21 and  name HA   ) 5.0 3.2 0.0 ! A_o      N_N171   V_104.3  S_AA    

assign (resid   21 and  name HN   )(resid   21 and  name HD2# ) 5.0 3.2 0.5 ! A_r      N_N1245  V_11.99  S_A2    

assign (resid   21 and  name HN   )(resid   21 and  name HD1# ) 5.0 3.2 0.5 ! A_r      N_N1246  V_12.16  S_A1    

assign (resid   21 and  name HN   )(resid   21 and  name HG   ) 5.0 3.2 0.0 ! A_l      N_N1445  V_30.58  S_AA    

assign (resid   23 and  name HA   )(resid   24 and  name HN   ) 3.3 1.5 0.0 ! A_r      N_N768   V_55.76  S_AA   *M 2.7/3.3 

assign (resid   23 and  name HN   )(resid   23 and  name HA   ) 3.3 1.5 0.0 ! A_       N_N214   V_32.26  S_AA    

assign (resid   24 and  name HA   )(resid   24 and  name HB2  ) 2.7 0.9 0.0 ! A_       N_N226   V_59.21  S_AR    

assign (resid   24 and  name HA   )(resid   25 and  name HB   ) 5.0 3.2 0.0 ! A_       N_N990   V_3.962  S_AA    

assign (resid   24 and  name HA   )(resid   25 and  name HD1# ) 6.0 4.2 0.5 ! A_       N_N1467  V_4.1    S_Am    

assign (resid   24 and  name HA   )(resid   25 and  name HG2# ) 6.0 4.2 0.5 ! A_       N_N992   V_3.02   S_Am    

assign (resid   24 and  name HA   )(resid   25 and  name HN   ) 2.7 0.9 0.0 ! A_r      N_N659   V_106.1  S_AA    

assign (resid   24 and  name HB1  )(resid   25 and  name HN   ) 5.0 3.2 0.0 ! A_or     N_N657   V_50.36  S_SA    

assign (resid   24 and  name HB2  )(resid   25 and  name HN   ) 2.7 0.9 0.0 ! A_r      N_N656   V_57.93  S_RA    

assign (resid   24 and  name HN   )(resid   24 and  name HA   ) 5.0 3.2 0.0 ! A_l      N_N221   V_23.5   S_AA    

assign (resid   25 and  name HA   )(resid   25 and  name HB   ) 2.7 0.9 0.0 ! A_r      N_N246   V_43.73  S_AA    

assign (resid   25 and  name HA   )(resid   26 and  name HA   ) 5.0 3.2 0.0 ! A_r      N_N983   V_6.686  S_AA    

assign (resid   25 and  name HA   )(resid   26 and  name HB1  ) 6.0 4.2 0.0 ! A_r      N_N1097  V_5.85   S_AR    *M 5.5/6.5

assign (resid   25 and  name HA   )(resid   26 and  name HB2  ) 6.0 4.2 0.0 ! A_lr     N_N1096  V_10.64  S_AS    

assign (resid   25 and  name HA   )(resid   26 and  name HN   ) 2.7 0.9 0.0 ! A_r      N_N706   V_178.7  S_AA    

assign (resid   25 and  name HB   )(resid   25 and  name HG12 ) 5.0 3.2 0.0 ! A_r      N_N261   V_47.51  S_A2    

assign (resid   25 and  name HB   )(resid   25 and  name HG11 ) 5.0 3.2 0.0 ! A_o      N_N247   V_330.6  S_A1    

assign (resid   25 and  name HB   )(resid   26 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N708   V_15.9   S_AA    

assign (resid   25 and  name HD1# )(resid   27 and  name HZ   ) 6.0 4.2 0.5 ! A_or     N_N1207  V_40.32  S_mA    

assign (resid   25 and  name HG11 )(resid   25 and  name HG2# ) 5.0 3.2 0.5 ! A_       N_N256   V_24.88  S_1m    

assign (resid   25 and  name HG12 )(resid   25 and  name HG2# ) 5.0 3.2 0.5 ! A_       N_N265   V_27.63  S_2m    

assign (resid   25 and  name HG1# )(resid   26 and  name HN   ) 5.0 3.2 1.0 ! A_r      N_N709   V_4.426  S_1A    

assign (resid   25 and  name HG2# )(resid   26 and  name HA   ) 6.0 4.2 0.5 ! A_       N_N1403  V_4.486  S_mA    

assign (resid   25 and  name HG2# )(resid   26 and  name HN   ) 5.0 3.2 0.5 ! A_r      N_N707   V_12.07  S_mA    

assign (resid   25 and  name HG2# )(resid   27 and  name HZ   ) 6.0 4.2 0.5 ! A_or     N_N1206  V_35.52  S_mA    

assign (resid   25 and  name HN   )(resid   25 and  name HA   ) 5.0 3.2 0.0 ! A_o      N_N233   V_52.44  S_AA    

assign (resid   25 and  name HN   )(resid   25 and  name HG12 ) 6.0 4.2 0.0 ! A_       N_N235   V_5.448  S_A2    

assign (resid   25 and  name HN   )(resid   25 and  name HG11 ) 6.0 4.2 0.0 ! A_       N_N241   V_3.448  S_A1    

assign (resid   26 and  name HA   )(resid   26 and  name HB1  ) 2.7 0.9 0.0 ! A_       N_N282   V_95.84  S_AR    

assign (resid   26 and  name HA   )(resid   26 and  name HB2  ) 3.3 1.5 0.0 ! A_       N_N281   V_57.2   S_AS       *M 2.7/3.3

assign (resid   26 and  name HA   )(resid   27 and  name HN   ) 2.7 0.9 0.0 ! A_r      N_N591   V_181.5  S_AA    

assign (resid   26 and  name HB1  )(resid   27 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N592   V_25.81  S_RA    

assign (resid   26 and  name HB1  )(resid   36 and  name HA   ) 5.0 3.2 0.0 ! A_r      N_N981   V_12.18  S_RA    

assign (resid   26 and  name HB2  )(resid   36 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N1147  V_11.25  S_SA    

assign (resid   26 and  name HN   )(resid   26 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N277   V_19.03  S_AA    

assign (resid   26 and  name HN   )(resid   26 and  name HB2  ) 2.7 0.9 0.0 ! A_       N_N278   V_51.47  S_AS    

assign (resid   27 and  name HB1  )(resid   28 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N688   V_16.59  S_SA    

assign (resid   27 and  name HB1  )(resid   47 and  name H6#  ) 5.0 3.2 0.0 ! A_       N_N1427  V_37.39  S_Sx    

assign (resid   27 and  name HB2  )(resid   47 and  name H6#  ) 5.0 3.2 0.0 ! A_       N_N1426  V_33.04  S_Rx    

assign (resid   27 and  name HN   )(resid   27 and  name HA   ) 3.3 1.5 0.0 ! A_       N_N289   V_35.42  S_AA    

assign (resid   27 and  name HN   )(resid   27 and  name HB2  ) 3.3 1.5 0.0 ! A_o      N_N291   V_58.31  S_AR      *M 4.3/3.3

assign (resid   28 and  name HA   )(resid   28 and  name HB1  ) 2.7 0.9 0.0 ! A_r      N_N302   V_64.59  S_AR    

assign (resid   28 and  name HA   )(resid   29 and  name HG   ) 5.0 3.2 0.0 ! A_r      N_N1491  V_22.5   S_AA    

assign (resid   28 and  name HA   )(resid   29 and  name HN   ) 2.7 0.9 0.0 ! A_r      N_N1263  V_105.9  S_AA    

assign (resid   28 and  name HA   )(resid   32 and  name HB1  ) 6.0 4.2 0.0 ! A_r      N_N1153  V_8.144  S_AS  *M 5.5/6.5  

assign (resid   28 and  name HA   )(resid   32 and  name HB2  ) 6.0 4.2 0.0 ! A_lr     N_N1149  V_7.622  S_AR    

assign (resid   28 and  name HB1  )(resid   29 and  name HN   ) 2.7 0.9 0.0 ! A_r      N_N736   V_41.26  S_RA    

assign (resid   28 and  name HB1  )(resid   32 and  name HB1  ) 3.3 1.5 0.0 ! A_       N_N1080  V_90.58  S_RS   *M 2.7/3.3 

assign (resid   28 and  name HB1  )(resid   32 and  name HB2  ) 3.3 1.5 0.0 ! A_lr     N_N1077  V_122.2  S_RR    

assign (resid   28 and  name HB1  )(resid   32 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N782   V_8.189  S_RA    

assign (resid   28 and  name HB2  )(resid   32 and  name HB1  ) 5.0 3.2 0.0 ! A_l      N_N1110  V_120.2  S_SS   *M 3.3/4.3

assign (resid   28 and  name HN   )(resid   28 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N298   V_20.43  S_AA    

assign (resid   28 and  name HN   )(resid   47 and  name H6#  ) 6.0 4.2 0.0 ! A_       N_N1456  V_2.175  S_Ax    

assign (resid   29 and  name HA   )(resid   29 and  name HG   ) 2.7 0.9 0.0 ! A_r      N_N323   V_61.36  S_AA    

assign (resid   29 and  name HA   )(resid   30 and  name HB#  ) 5.0 3.2 1.0 ! A_r      N_N1492  V_18.18  S_A2    

assign (resid   29 and  name HA   )(resid   30 and  name HD1  ) 5.0 3.2 0.0 ! A_r      N_N1007  V_153.2  S_A1    

assign (resid   29 and  name HA   )(resid   30 and  name HD2  ) 5.0 3.2 0.0 ! A_or     N_N1008  V_185.5  S_A2    

assign (resid   29 and  name HD2# )(resid   30 and  name HD2  ) 6.0 4.2 0.5 ! A_l      N_N1033  V_64.32  S_22    

assign (resid   29 and  name HD2# )(resid   30 and  name HD1  ) 6.0 4.2 0.5 ! A_or     N_N1031  V_101.4  S_21    

assign (resid   29 and  name HD1# )(resid   30 and  name HD2  ) 6.0 4.2 0.5 ! A_l      N_N1034  V_14.44  S_12    

assign (resid   29 and  name HD1# )(resid   30 and  name HD1  ) 6.0 4.2 0.5 ! A_l      N_N1036  V_8.989  S_11    

assign (resid   29 and  name HD1# )(resid   32 and  name HZ   ) 6.0 4.2 2.5 ! A_lr     N_N926   V_3.703  S_1A    *M HD1#

assign (resid   29 and  name HD1# )(resid   47 and  name H4   ) 6.0 4.2 2.5 ! A_o      N_N1474  V_31.02  S_1x    *M HD1#

assign (resid   29 and  name HG   )(resid   30 and  name HD2  ) 5.0 3.2 0.0 ! A_l      N_N1040  V_47.37  S_A2  *M 4.3/5.5

assign (resid   29 and  name HG   )(resid   30 and  name HD1  ) 5.0 3.2 0.0 ! A_o      N_N1041  V_73.57  S_A1  *M 4.3/5.5

assign (resid   29 and  name HG   )(resid   47 and  name H4   ) 3.3 1.5 0.0 ! A_lr     N_N1495  V_46.94  S_Ax    

assign (resid   29 and  name HN   )(resid   29 and  name HA   ) 3.3 1.5 0.0 ! A_       N_N307   V_33.13  S_AA    

assign (resid   29 and  name HN   )(resid   29 and  name HG   ) 5.0 3.2 0.0 ! A_o      N_N309   V_151.1  S_AA    

assign (resid   29 and  name HN   )(resid   30 and  name HD2  ) 6.0 4.2 0.0 ! A_       N_N1447  V_5.554  S_A2    

assign (resid   29 and  name HN   )(resid   30 and  name HD1  ) 6.0 4.2 0.0 ! A_o      N_N1448  V_14.14  S_A1    

assign (resid   29 and  name HN   )(resid   32 and  name HB1  ) 6.0 4.2 0.0 ! A_o      N_N1443  V_20.84  S_AS    

assign (resid   29 and  name HN   )(resid   32 and  name HB2  ) 6.0 4.2 0.0 ! A_o      N_N740   V_25.06  S_AR    

assign (resid   30 and  name HA   )(resid   30 and  name HB1  ) 2.7 0.9 0.0 ! A_       N_N338   V_50.71  S_A1    

assign (resid   30 and  name HA   )(resid   30 and  name HB2  ) 3.3 1.5 0.0 ! A_r      N_N348   V_47.66  S_A2  *M 2.7/3.3  

assign (resid   30 and  name HA   )(resid   32 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N780   V_8.743  S_AA    

assign (resid   30 and  name HB1  )(resid   30 and  name HD2  ) 5.0 3.2 0.0 ! A_       N_N360   V_17.3   S_12    

assign (resid   30 and  name HB2  )(resid   30 and  name HD1  ) 5.0 3.2 0.0 ! A_o      N_N366   V_69.37  S_21    

assign (resid   30 and  name HB2  )(resid   30 and  name HD2  ) 5.0 3.2 0.0 ! A_o      N_N367   V_105.5  S_22    

assign (resid   30 and  name HB1  )(resid   30 and  name HD1  ) 5.0 3.2 0.0 ! A_r      N_N350   V_20.5   S_11    

assign (resid   30 and  name HD2  )(resid   31 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N1302  V_13.71  S_2A    

assign (resid   30 and  name HD1  )(resid   31 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N1303  V_8.117  S_1A    

assign (resid   30 and  name HG1  )(resid   30 and  name HD1  ) 5.0 3.2 0.0 ! A_o      N_N362   V_117.7  S_11    

assign (resid   30 and  name HG1  )(resid   30 and  name HD2  ) 5.0 3.2 0.0 ! A_o      N_N363   V_119    S_12    

assign (resid   30 and  name HG2  )(resid   30 and  name HD1  ) 5.0 3.2 0.0 ! A_o      N_N364   V_93.91  S_21    

assign (resid   30 and  name HG2  )(resid   30 and  name HD2  ) 5.0 3.2 0.0 ! A_o      N_N365   V_101    S_22    

assign (resid   31 and  name HA   )(resid   41 and  name HB1  ) 5.0 3.2 0.0 ! A_l      N_N1028  V_48.29  S_AS  *M 3.3/5.0 

assign (resid   31 and  name HA   )(resid   41 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N763   V_5.422  S_AA    

assign (resid   31 and  name HB#  )(resid   32 and  name HB2  ) 6.0 4.2 0.5 ! A_       N_N1088  V_4.083  S_mR    

assign (resid   31 and  name HB#  )(resid   32 and  name HZ   ) 6.0 4.2 0.5 ! A_or     N_N910   V_32.14  S_mA    

assign (resid   31 and  name HB#  )(resid   40 and  name HD2  ) 5.0 3.2 0.5 ! A_r      N_N1311  V_10.55  S_mA    

assign (resid   31 and  name HN   )(resid   31 and  name HA   ) 3.3 1.5 0.0 ! A_l      N_N369   V_57.9   S_AA    

assign (resid   31 and  name HN   )(resid   32 and  name HN   ) 2.7 0.9 0.0 ! A_       N_N1305  V_41.1   S_AA    

assign (resid   32 and  name HA   )(resid   32 and  name HB1  ) 2.7 0.9 0.0 ! A_       N_N379   V_58.21  S_AS    

assign (resid   32 and  name HA   )(resid   33 and  name HN   ) 2.7 0.9 0.0 ! A_r      N_N640   V_126.5  S_AA    

assign (resid   32 and  name HA   )(resid   40 and  name HA   ) 2.7 0.9 0.0 ! A_       N_N995   V_48.89  S_AA    

assign (resid   32 and  name HA   )(resid   41 and  name HG#  ) 5.0 3.2 1.0 ! A_       N_N993   V_16.21  S_A2    

assign (resid   32 and  name HA   )(resid   41 and  name HN   ) 5.0 3.2 0.0 ! A_or     N_N765   V_75.13  S_AA    

assign (resid   32 and  name HB1  )(resid   33 and  name HN   ) 3.3 1.5 0.0 ! A_lr     N_N645   V_80.05  S_SA    

assign (resid   32 and  name HB1  )(resid   37 and  name HA   ) 5.0 3.2 0.0 ! A_o      N_N1154  V_55.18  S_SA    

assign (resid   32 and  name HB1  )(resid   40 and  name HA   ) 5.0 3.2 0.0 ! A_l      N_N1093  V_24.61  S_SA    

assign (resid   32 and  name HB2  )(resid   33 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N646   V_18.35  S_RA    

assign (resid   32 and  name HB2  )(resid   37 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N1106  V_9.341  S_RA    

assign (resid   32 and  name HN   )(resid   32 and  name HA   ) 5.0 3.2 0.0 ! A_l      N_N375   V_36.56  S_AA    

assign (resid   32 and  name HZ   )(resid   40 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N915   V_3.868  S_AA    

assign (resid   33 and  name HA   )(resid   34 and  name HN   ) 2.7 0.9 0.0 ! A_r      N_N801   V_81.47  S_AA    

assign (resid   33 and  name HA   )(resid   37 and  name HA   ) 5.0 3.2 0.0 ! A_r      N_N1165  V_9.319  S_AA    

assign (resid   33 and  name HN   )(resid   33 and  name HA   ) 3.3 1.5 0.0 ! A_       N_N393   V_32.02  S_AA    

assign (resid   33 and  name HN   )(resid   34 and  name HA2  ) 6.0 4.2 0.0 ! A_o      N_N1411  V_30.15  S_A2    

assign (resid   33 and  name HN   )(resid   34 and  name HA1  ) 6.0 4.2 0.0 ! A_o      N_N1233  V_13.93  S_A1    

assign (resid   33 and  name HN   )(resid   37 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N1234  V_13.3   S_AA    

assign (resid   33 and  name HN   )(resid   37 and  name HN   ) 6.0 4.2 0.0 ! A_l      N_N653   V_4.169  S_AA    

assign (resid   33 and  name HN   )(resid   39 and  name HB   ) 6.0 4.2 0.0 ! A_o      N_N644   V_27.93  S_AA    

assign (resid   33 and  name HN   )(resid   39 and  name HG2# ) 6.0 4.2 0.5 ! A_l      N_N1190  V_11.15  S_Am    

assign (resid   33 and  name HN   )(resid   39 and  name HN   ) 5.0 3.2 0.0 ! A_       N_N649   V_20.54  S_AA    

assign (resid   33 and  name HN   )(resid   40 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N641   V_13.16  S_AA    

assign (resid   33 and  name HN   )(resid   41 and  name HG#  ) 5.0 3.2 1.0 ! A_       N_N648   V_6.647  S_A2    

assign (resid   33 and  name HN   )(resid   41 and  name HN   ) 5.0 3.2 0.0 ! A_       N_N650   V_4.83   S_AA    

assign (resid   34 and  name HA1  )(resid   36 and  name HN   ) 5.0 3.2 0.0 ! A_or     N_N666   V_32.17  S_1A    

assign (resid   34 and  name HA2  )(resid   36 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N668   V_6.159  S_2A    

assign (resid   34 and  name HA#  )(resid   37 and  name HN   ) 5.0 3.2 1.0 ! A_r      N_N826   V_9.378  S_1A    

assign (resid   34 and  name HA#  )(resid   38 and  name HN   ) 5.0 3.2 1.0 ! A_r      N_N586   V_8.893  S_1A    

assign (resid   34 and  name HA#  )(resid   39 and  name HN   ) 5.0 3.2 1.0 ! A_r      N_N716   V_4.805  S_1A    

assign (resid   35 and  name HA   )(resid   37 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N827   V_6.681  S_AA    

assign (resid   35 and  name HN   )(resid   35 and  name HA   ) 3.3 1.5 0.0 ! A_r      N_N409   V_47.92  S_AA    *M 2.7/3.3

assign (resid   35 and  name HN   )(resid   36 and  name HN   ) 5.0 3.2 0.0 ! A_o      N_N634   V_63.26  S_AA    

assign (resid   35 and  name HN   )(resid   37 and  name HN   ) 5.0 3.2 0.0 ! A_       N_N639   V_4.398  S_AA    

assign (resid   35 and  name HN   )(resid   38 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N1405  V_5.826  S_AA    

assign (resid   36 and  name HA   )(resid   36 and  name HB1  ) 2.7 0.9 0.0 ! A_       N_N443   V_69.19  S_AR    

assign (resid   36 and  name HA   )(resid   36 and  name HD21 ) 5.0 3.2 0.0 ! A_r      N_N864   V_9.754  S_Aa    

assign (resid   36 and  name HA   )(resid   36 and  name HD22 ) 6.0 4.2 0.0 ! A_or     N_N939   V_8.587  S_Aa    

assign (resid   36 and  name HB1  )(resid   38 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N583   V_8.156  S_RA    

assign (resid   36 and  name HD21 )(resid   36 and  name HB2  ) 5.0 3.2 0.0 ! A_     N_N866   V_28.36  S_aR *M 3.3/4.3/5.0

assign (resid   36 and  name HD21 )(resid   36 and  name HB1  ) 3.3 1.5 0.0 ! A_       N_N867   V_45.13  S_aS *switched 2.7/3.3

assign (resid   36 and  name HN   )(resid   36 and  name HA   ) 3.3 1.5 0.0 ! A_r      N_N442   V_29.97  S_AA    

assign (resid   36 and  name HN   )(resid   36 and  name HB2  ) 3.3 1.5 0.0 ! A_       N_N441   V_37.46  S_AS    

assign (resid   36 and  name HN   )(resid   37 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N667   V_3.672  S_AA    

assign (resid   36 and  name HN   )(resid   37 and  name HN   ) 2.7 0.9 0.0 ! A_       N_N665   V_62.6   S_AA    

assign (resid   36 and  name HN   )(resid   38 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N587   V_24.41  S_AA    

assign (resid   37 and  name HA   )(resid   37 and  name HB1  ) 2.7 0.9 0.0 ! A_       N_N458   V_105    S_AR    

assign (resid   37 and  name HA   )(resid   39 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N717   V_6.517  S_AA    

assign (resid   37 and  name HB1  )(resid   39 and  name HN   ) 6.0 4.2 0.0 ! A_r      N_N723   V_2.103  S_RA    

assign (resid   37 and  name HN   )(resid   37 and  name HA   ) 2.7 0.9 0.0 ! A_       N_N453   V_155.9  S_AA    

assign (resid   37 and  name HN   )(resid   38 and  name HN   ) 3.3 1.5 0.0 ! A_r      N_N589   V_34.41  S_AA    

assign (resid   38 and  name HA   )(resid   38 and  name HB2  ) 2.7 0.9 0.0 ! A_       N_N469   V_105.3  S_AR    

assign (resid   38 and  name HB1  )(resid   38 and  name HG1  ) 5.0 3.2 0.0 ! A_r      N_N480   V_77.5   S_S1    

assign (resid   38 and  name HB1  )(resid   38 and  name HG2  ) 5.0 3.2 0.0 ! A_o      N_N486   V_228.7  S_S2    

assign (resid   38 and  name HB2  )(resid   38 and  name HG1  ) 5.0 3.2 0.0 ! A_       N_N477   V_42.98  S_R1    

assign (resid   38 and  name HB2  )(resid   38 and  name HG2  ) 5.0 3.2 0.0 ! A_o      N_N478   V_274.7  S_R2    

assign (resid   38 and  name HN   )(resid   38 and  name HA   ) 3.3 1.5 0.0 ! A_       N_N465   V_28.45  S_AA    

assign (resid   38 and  name HN   )(resid   38 and  name HB1  ) 3.3 1.5 0.0 ! A_       N_N578   V_42.66  S_AS  *M 2.7/3.3  

assign (resid   38 and  name HN   )(resid   38 and  name HG2  ) 5.0 3.2 0.0 ! A_       N_N580   V_23.58  S_A2    

assign (resid   38 and  name HN   )(resid   38 and  name HG1  ) 5.0 3.2 0.0 ! A_       N_N581   V_19.76  S_A1    

assign (resid   38 and  name HN   )(resid   39 and  name HB   ) 5.0 3.2 0.0 ! A_       N_N582   V_5.937  S_AA    

assign (resid   38 and  name HN   )(resid   39 and  name HN   ) 2.7 0.9 0.0 ! A_       N_N588   V_57.49  S_AA    

assign (resid   39 and  name HA   )(resid   40 and  name HN   ) 3.3 1.5 0.0 ! A_lr     N_N630   V_156.5  S_AA    

assign (resid   39 and  name HG2# )(resid   39 and  name HG1  ) 5.0 3.2 0.5 ! A_       N_N1148  V_29.63  S_mA    

assign (resid   39 and  name HG2# )(resid   40 and  name HA   ) 6.0 4.2 0.5 ! A_       N_N1171  V_4.788  S_mA    

assign (resid   39 and  name HG2# )(resid   40 and  name HN   ) 6.0 4.2 0.5 ! A_lr     N_N631   V_31.21  S_mA    

assign (resid   39 and  name HN   )(resid   39 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N487   V_27.69  S_AA    

assign (resid   39 and  name HN   )(resid   39 and  name HB   ) 2.7 0.9 0.0 ! A_       N_N488   V_71.17  S_AA    

assign (resid   40 and  name HA   )(resid   40 and  name HD2  ) 5.0 3.2 0.0 ! A_r      N_N1307  V_9.888  S_AA    

assign (resid   40 and  name HA   )(resid   41 and  name HN   ) 2.7 0.9 0.0 ! A_r      N_N764   V_131.3  S_AA    

assign (resid   40 and  name HD2  )(resid   41 and  name HN   ) 6.0 4.2 0.0 ! A_r      N_N1277  V_2.81   S_AA    

assign (resid   40 and  name HN   )(resid   40 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N496   V_20.39  S_AA    

assign (resid   41 and  name HA   )(resid   41 and  name HB1  ) 2.7 0.9 0.0 ! A_       N_N511   V_66.36  S_AS    

assign (resid   41 and  name HA   )(resid   43 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N1271  V_4.517  S_AA    

assign (resid   41 and  name HB1  )(resid   41 and  name HG#  ) 2.7 0.9 1.0 ! A_       N_N524   V_86.73  S_S1    

assign (resid   41 and  name HB1  )(resid   42 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N748   V_21.1   S_SA    

assign (resid   41 and  name HB1  )(resid   43 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N779   V_5.22   S_SA    

assign (resid   41 and  name HB2  )(resid   41 and  name HG2  ) 5.0 3.2 0.0 ! A_       N_N531   V_104.8  S_R2    

assign (resid   41 and  name HB2  )(resid   41 and  name HG1  ) 5.0 3.2 0.0 ! A_o      N_N530   V_356.3  S_R1    

assign (resid   41 and  name HN   )(resid   41 and  name HA   ) 5.0 3.2 0.0 ! A_o      N_N504   V_90.07  S_AA    

assign (resid   41 and  name HN   )(resid   41 and  name HB2  ) 3.3 1.5 0.0 ! A_       N_N506   V_36.39  S_AR    

assign (resid   41 and  name HN   )(resid   41 and  name HG2  ) 5.0 3.2 0.0 ! A_       N_N508   V_28.86  S_A2    

assign (resid   41 and  name HN   )(resid   41 and  name HG1  ) 5.0 3.2 0.0 ! A_       N_N507   V_11.21  S_A1    

assign (resid   42 and  name HN   )(resid   42 and  name HA   ) 5.0 3.2 0.0 ! A_o      N_N544   V_44.81  S_AA    

assign (resid   43 and  name HN   )(resid   43 and  name HA   ) 3.3 1.5 0.0 ! A_       N_N554   V_65.87  S_AA   *M 2.7/3.3 

assign (resid   45 and  name HN   )(resid   45 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N564   V_8.385  S_AA    

assign (resid   46 and  name HN   )(resid   46 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N1273  V_8.191  S_AA    

assign (resid   47 and  name H2   )(resid   47 and  name H1   ) 5.0 3.2 0.0 ! A_o      N_N1483  V_196.6  S_xx    

assign (resid   47 and  name H3   )(resid   47 and  name H1   ) 5.0 3.2 0.0 ! A_l      N_N1482  V_37.26  S_xx    

assign (resid   47 and  name H4   )(resid   47 and  name H5   ) 2.7 0.9 0.0 ! A_       N_N1421  V_123.8  S_xx    

assign (resid   47 and  name H4   )(resid   47 and  name H6#  ) 3.3 1.5 0.0 ! A_l      N_N1496  V_158.3  S_xx    

assign (resid   47 and  name H5   )(resid   47 and  name H1   ) 5.0 3.2 0.0 ! A_       N_N1480  V_10.74  S_xx    

assign (resid   47 and  name H5   )(resid   47 and  name H4   ) 2.7 0.9 0.0 ! A_       N_N1420  V_99.66  S_xx    

assign (resid   47 and  name H5   )(resid   47 and  name H6#  ) 2.7 0.9 0.0 ! A_       N_N1489  V_121    S_xx    

assign (resid   47 and  name H6#  )(resid   47 and  name H1   ) 5.0 3.2 0.0 ! A_       N_N1488  V_14.78  S_xx    

assign (resid   47 and  name H6#  )(resid   47 and  name H4   ) 3.3 1.5 0.0 ! A_l      N_N1473  V_125.9  S_xx    

assign (resid   47 and  name H6#  )(resid   47 and  name H5   ) 3.3 1.5 0.0 ! A_       N_N1475  V_114.3  S_xx    

####
set message=on echo=off end

!

! phi dihedrals

 assign (resid   3 and name c ) (resid   4 and name n ) (resid   4 and name ca ) (resid   4 and name c )  1.0  -120.0 30.0 2

 assign (resid   6 and name c ) (resid   7 and name n ) (resid   7 and name ca ) (resid   7 and name c )  1.0  -70.0 20.0 2

 assign (resid   7 and name c ) (resid   8 and name n ) (resid   8 and name ca ) (resid   8 and name c )  1.0  -120.0 30.0 2

 assign (resid  15 and name c ) (resid  16 and name n ) (resid  16 and name ca ) (resid  16 and name c )  1.0  -120.0 30.0 2

 assign (resid  16 and name c ) (resid  17 and name n ) (resid  17 and name ca ) (resid  17 and name c )  1.0  -120.0 30.0 2

 assign (resid  17 and name c ) (resid  18 and name n ) (resid  18 and name ca ) (resid  18 and name c )  1.0  -120.0 30.0 2

 assign (resid  19 and name c ) (resid  20 and name n ) (resid  20 and name ca ) (resid  20 and name c )  1.0  -120.0 30.0 2

 assign (resid  22 and name c ) (resid  23 and name n ) (resid  23 and name ca ) (resid  23 and name c )  1.0  -100.0 80.0 2

 assign (resid  23 and name c ) (resid  24 and name n ) (resid  24 and name ca ) (resid  24 and name c )  1.0  -120.0 30.0 2

 assign (resid  24 and name c ) (resid  25 and name n ) (resid  25 and name ca ) (resid  25 and name c )  1.0  -120.0 30.0 2

 assign (resid  25 and name c ) (resid  26 and name n ) (resid  26 and name ca ) (resid  26 and name c )  1.0  -120.0 30.0 2

 assign (resid  26 and name c ) (resid  27 and name n ) (resid  27 and name ca ) (resid  27 and name c )  1.0  -120.0 30.0 2

 assign (resid  30 and name c ) (resid  31 and name n ) (resid  31 and name ca ) (resid  31 and name c )  1.0  -120.0 30.0 2

 assign (resid  31 and name c ) (resid  32 and name n ) (resid  32 and name ca ) (resid  32 and name c )  1.0  -120.0 30.0 2

 assign (resid  32 and name c ) (resid  33 and name n ) (resid  33 and name ca ) (resid  33 and name c )  1.0  -120.0 30.0 2

 assign (resid  34 and name c ) (resid  35 and name n ) (resid  35 and name ca ) (resid  35 and name c )  1.0  -70.0 20.0 2

 assign (resid  35 and name c ) (resid  36 and name n ) (resid  36 and name ca ) (resid  36 and name c )  1.0  -120.0 30.0 2

!

! planar peptide restraints

assign (resid   1 and name ca ) (resid   1 and name c ) (resid   2 and name n ) (resid   2 and name ca )  1.0  180.0 10.0 2 

assign (resid   2 and name ca ) (resid   2 and name c ) (resid   3 and name n ) (resid   3 and name ca )  1.0  180.0 10.0 2 

assign (resid   3 and name ca ) (resid   3 and name c ) (resid   4 and name n ) (resid   4 and name ca )  1.0  180.0 10.0 2 

assign (resid   4 and name ca ) (resid   4 and name c ) (resid   5 and name n ) (resid   5 and name ca )  1.0  180.0 10.0 2 

assign (resid   5 and name ca ) (resid   5 and name c ) (resid   6 and name n ) (resid   6 and name ca )  1.0  180.0 10.0 2 

assign (resid   6 and name ca ) (resid   6 and name c ) (resid   7 and name n ) (resid   7 and name ca )  1.0  180.0 10.0 2 

assign (resid   7 and name ca ) (resid   7 and name c ) (resid   8 and name n ) (resid   8 and name ca )  1.0  180.0 10.0 2 

assign (resid   8 and name ca ) (resid   8 and name c ) (resid   9 and name n ) (resid   9 and name ca )  1.0  180.0 10.0 2 

assign (resid   9 and name ca ) (resid   9 and name c ) (resid  10 and name n ) (resid  10 and name ca )  1.0  180.0 10.0 2 

assign (resid  11 and name ca ) (resid  11 and name c ) (resid  12 and name n ) (resid  12 and name ca )  1.0  180.0 10.0 2 

assign (resid  12 and name ca ) (resid  12 and name c ) (resid  13 and name n ) (resid  13 and name ca )  1.0  180.0 10.0 2 

assign (resid  13 and name ca ) (resid  13 and name c ) (resid  14 and name n ) (resid  14 and name ca )  1.0  180.0 10.0 2 
###
! H-bond restraints 

set message=off echo=off end

! b-stands:

assign (resid   25 and  name O )(resid   18 and  name N ) 3.3 0.8 0.0

assign (resid   25 and  name O )(resid   18 and  name HN ) 2.2 0.5 0.0

assign (resid   16 and  name O )(resid   27 and  name N ) 3.3 0.8 0.0

assign (resid   16 and  name O )(resid   27 and  name HN ) 2.2 0.5 0.0

assign (resid   36 and  name O )(resid   12 and  name N ) 3.3 0.8 0.0

assign (resid   36 and  name O )(resid   12 and  name HN ) 2.2 0.5 0.0

assign (resid   33 and  name O )(resid   39 and  name N ) 3.3 0.8 0.0

assign (resid   33 and  name O )(resid   39 and  name HN ) 2.2 0.5 0.0

assign (resid   18 and  name O )(resid   25 and  name N ) 3.3 0.8 0.0

assign (resid   18 and  name O )(resid   25 and  name HN ) 2.2 0.5 0.0

assign (resid   39 and  name O )(resid   33 and  name N ) 3.3 0.8 0.0

assign (resid   39 and  name O )(resid   33 and  name HN ) 2.2 0.5 0.0

assign (resid   27 and  name O )(resid   16 and  name N ) 3.3 0.8 0.0

assign (resid   27 and  name O )(resid   16 and  name HN ) 2.2 0.5 0.0

assign (resid   29 and  name O )(resid   32 and  name N ) 3.3 0.8 0.0 

assign (resid   29 and  name O )(resid   32 and  name HN ) 2.2 0.5 0.0

assign (resid   12 and  name O )(resid   15 and  name N ) 3.3 0.8 0.0 

assign (resid   12 and  name O )(resid   15 and  name HN ) 2.2 0.5 0.0


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    SER  45          1H        SER  45  -9.956 -15.440  -9.423
    2   2H    SER  45          2H        SER  45 -10.845 -15.839 -10.816
    3   3H    SER  45          3H        SER  45  -9.800 -16.981 -10.115
    4    HA   SER  45           HA       SER  45  -8.699 -16.109 -12.035
    5   1HB   SER  45          1HB       SER  45  -9.393 -13.450 -10.744
    6   2HB   SER  45          2HB       SER  45  -8.488 -13.645 -12.242
    7    HG   SER  45           HG       SER  45 -10.855 -13.281 -12.381
    8    H    ASP  46           H        ASP  46  -7.845 -17.203  -9.573
    9    HA   ASP  46           HA       ASP  46  -5.786 -15.454  -8.399
   10   1HB   ASP  46          1HB       ASP  46  -6.539 -18.374  -8.030
   11   2HB   ASP  46          2HB       ASP  46  -5.399 -17.495  -7.011
   12    H    GLY  47           H        GLY  47  -4.000 -15.130  -9.693
   13   1HA   GLY  47          1HA       GLY  47  -2.122 -17.175 -10.220
   14   2HA   GLY  47          2HA       GLY  47  -3.066 -16.956 -11.694
   15    H    ASP  48           H        ASP  48  -1.668 -15.858 -13.022
   16    HA   ASP  48           HA       ASP  48  -0.416 -13.355 -11.945
   17   1HB   ASP  48          1HB       ASP  48   1.339 -13.773 -13.625
   18   2HB   ASP  48          2HB       ASP  48   1.136 -15.182 -12.587
   19    H    GLN  49           H        GLN  49  -1.395 -11.545 -12.728
   20    HA   GLN  49           HA       GLN  49  -2.683 -11.665 -15.437
   21   1HB   GLN  49          1HB       GLN  49  -3.286 -10.115 -12.904
   22   2HB   GLN  49          2HB       GLN  49  -4.071  -9.776 -14.447
   23   1HG   GLN  49          1HG       GLN  49  -5.573 -11.272 -13.459
   24   2HG   GLN  49          2HG       GLN  49  -4.585 -12.345 -14.451
   25   1HE2  GLN  49          2HE2      GLN  49  -4.880 -14.185 -13.011
   26   2HE2  GLN  49          1HE2      GLN  49  -4.158 -14.237 -11.476
   27    H    CYS  50           H        CYS  50   0.177 -10.978 -14.714
   28    HA   CYS  50           HA       CYS  50   0.237  -8.292 -16.029
   29   1HB   CYS  50          1HB       CYS  50   0.440  -8.187 -13.506
   30   2HB   CYS  50          2HB       CYS  50   1.928  -9.123 -13.653
   31    H    ALA  51           H        ALA  51   0.751 -11.058 -17.007
   32    HA   ALA  51           HA       ALA  51   3.691 -11.208 -17.322
   33   1HB   ALA  51          1HB       ALA  51   2.157 -13.164 -16.875
   34   2HB   ALA  51          2HB       ALA  51   1.478 -12.922 -18.485
   35   3HB   ALA  51          3HB       ALA  51   3.176 -13.363 -18.301
   36    H    SER  52           H        SER  52   1.838  -9.062 -18.660
   37    HA   SER  52           HA       SER  52   2.992  -9.398 -21.397
   38   1HB   SER  52          1HB       SER  52   0.718  -8.500 -22.186
   39   2HB   SER  52          2HB       SER  52   0.739 -10.158 -21.594
   40    HG   SER  52           HG       SER  52  -0.964  -8.987 -20.658
   41    H    SER  53           H        SER  53   3.596  -7.670 -18.961
   42    HA   SER  53           HA       SER  53   4.133  -5.418 -18.492
   43   1HB   SER  53          1HB       SER  53   4.142  -5.436 -21.528
   44   2HB   SER  53          2HB       SER  53   4.895  -4.199 -20.527
   45    HG   SER  53           HG       SER  53   6.120  -5.952 -19.571
   46    HA   PRO  54           HA       PRO  54  -0.239  -4.074 -19.549
   47   1HB   PRO  54          1HB       PRO  54  -1.218  -3.996 -16.994
   48   2HB   PRO  54          2HB       PRO  54  -1.288  -5.450 -18.010
   49   1HG   PRO  54          1HG       PRO  54   0.594  -4.765 -15.812
   50   2HG   PRO  54          2HG       PRO  54  -0.129  -6.324 -16.235
   51   1HD   PRO  54          1HD       PRO  54   2.437  -5.619 -16.861
   52   2HD   PRO  54          2HD       PRO  54   1.479  -6.794 -17.789
   53    H    CYS  55           H        CYS  55   2.024  -3.160 -16.985
   54    HA   CYS  55           HA       CYS  55   1.022  -0.352 -17.043
   55   1HB   CYS  55          1HB       CYS  55   2.859  -1.935 -15.225
   56   2HB   CYS  55          2HB       CYS  55   2.549  -0.210 -15.018
   57    H    GLN  56           H        GLN  56   2.665   1.391 -17.215
   58    HA   GLN  56           HA       GLN  56   5.158   0.569 -18.664
   59   1HB   GLN  56          1HB       GLN  56   2.798   2.044 -19.571
   60   2HB   GLN  56          2HB       GLN  56   4.281   2.964 -19.816
   61   1HG   GLN  56          1HG       GLN  56   3.842   1.586 -21.784
   62   2HG   GLN  56          2HG       GLN  56   5.283   0.992 -20.959
   63   1HE2  GLN  56          2HE2      GLN  56   1.782   0.460 -20.247
   64   2HE2  GLN  56          1HE2      GLN  56   1.879  -1.233 -20.308
   65    H    ASN  57           H        ASN  57   6.158   3.099 -19.148
   66    HA   ASN  57           HA       ASN  57   7.442   4.788 -18.120
   67   1HB   ASN  57          1HB       ASN  57   4.807   4.760 -16.658
   68   2HB   ASN  57          2HB       ASN  57   6.066   5.912 -16.210
   69   1HD2  ASN  57          2HD2      ASN  57   3.354   5.762 -18.059
   70   2HD2  ASN  57          1HD2      ASN  57   3.777   6.837 -19.303
   71    H    GLY  58           H        GLY  58   8.243   2.235 -17.313
   72   1HA   GLY  58          1HA       GLY  58   9.481   1.153 -15.641
   73   2HA   GLY  58          2HA       GLY  58   9.698   2.751 -14.929
   74    H    GLY  59           H        GLY  59   6.500   1.407 -15.415
   75   1HA   GLY  59          1HA       GLY  59   5.788   1.767 -12.652
   76   2HA   GLY  59          2HA       GLY  59   4.814   0.920 -13.855
   77    H    SER  60           H        SER  60   5.940   0.353 -10.956
   78    HA   SER  60           HA       SER  60   7.311  -2.231 -11.408
   79   1HB   SER  60          1HB       SER  60   6.456  -0.651  -8.964
   80   2HB   SER  60          2HB       SER  60   7.335  -2.174  -8.881
   81    H    CYS  61           H        CYS  61   5.803  -3.725 -12.182
   82    HA   CYS  61           HA       CYS  61   3.108  -3.899 -10.984
   83   1HB   CYS  61          1HB       CYS  61   3.631  -4.099 -13.439
   84   2HB   CYS  61          2HB       CYS  61   4.480  -5.604 -13.083
   85    H    LYS  62           H        LYS  62   2.375  -5.698  -9.789
   86    HA   LYS  62           HA       LYS  62   4.392  -7.770  -9.021
   87   1HB   LYS  62          1HB       LYS  62   3.845  -5.596  -7.480
   88   2HB   LYS  62          2HB       LYS  62   2.598  -6.704  -6.906
   89   1HG   LYS  62          1HG       LYS  62   4.114  -8.148  -5.974
   90   2HG   LYS  62          2HG       LYS  62   5.326  -7.843  -7.219
   91   1HD   LYS  62          1HD       LYS  62   6.343  -6.712  -5.497
   92   2HD   LYS  62          2HD       LYS  62   5.291  -5.413  -6.062
   93   1HE   LYS  62          1HE       LYS  62   3.828  -5.635  -4.269
   94   2HE   LYS  62          2HE       LYS  62   4.206  -7.354  -4.042
   95   1HZ   LYS  62          1HZ       LYS  62   6.159  -5.160  -3.605
   96   2HZ   LYS  62          2HZ       LYS  62   5.246  -5.866  -2.358
   97   3HZ   LYS  62          3HZ       LYS  62   6.360  -6.804  -3.226
   98    H    ASP  63           H        ASP  63   3.484  -9.804  -8.925
   99    HA   ASP  63           HA       ASP  63   0.750 -10.224  -9.800
  100   1HB   ASP  63          1HB       ASP  63   1.369 -12.609  -9.428
  101   2HB   ASP  63          2HB       ASP  63   2.613 -11.740 -10.327
  102    H    GLN  64           H        GLN  64  -1.010 -10.037  -8.489
  103    HA   GLN  64           HA       GLN  64  -0.723 -10.768  -5.591
  104   1HB   GLN  64          1HB       GLN  64  -2.026  -8.444  -7.000
  105   2HB   GLN  64          2HB       GLN  64  -2.577  -8.935  -5.398
  106   1HG   GLN  64          1HG       GLN  64   0.351  -8.477  -5.958
  107   2HG   GLN  64          2HG       GLN  64  -0.715  -7.136  -5.532
  108   1HE2  GLN  64          2HE2      GLN  64   1.510  -8.312  -3.895
  109   2HE2  GLN  64          1HE2      GLN  64   0.791  -8.811  -2.441
  110    H    LEU  65           H        LEU  65  -3.165 -10.953  -4.701
  111    HA   LEU  65           HA       LEU  65  -4.349 -13.260  -5.901
  112   1HB   LEU  65          1HB       LEU  65  -4.520 -11.940  -3.534
  113   2HB   LEU  65          2HB       LEU  65  -6.039 -11.433  -4.274
  114    HG   LEU  65           HG       LEU  65  -6.146 -14.053  -4.866
  115   1HD1  LEU  65          1HD1      LEU  65  -4.364 -13.774  -2.448
  116   2HD1  LEU  65          2HD1      LEU  65  -5.388 -15.193  -2.664
  117   3HD1  LEU  65          3HD1      LEU  65  -4.148 -14.809  -3.859
  118   1HD2  LEU  65          1HD2      LEU  65  -7.586 -12.392  -3.336
  119   2HD2  LEU  65          2HD2      LEU  65  -7.842 -14.136  -3.298
  120   3HD2  LEU  65          3HD2      LEU  65  -6.868 -13.362  -2.050
  121    H    GLN  66           H        GLN  66  -6.242 -13.466  -7.182
  122    HA   GLN  66           HA       GLN  66  -7.745 -12.885  -8.893
  123   1HB   GLN  66          1HB       GLN  66  -7.826 -10.662  -6.888
  124   2HB   GLN  66          2HB       GLN  66  -8.701 -10.445  -8.402
  125   1HG   GLN  66          1HG       GLN  66 -10.201 -12.132  -7.941
  126   2HG   GLN  66          2HG       GLN  66  -9.038 -13.048  -6.983
  127   1HE2  GLN  66          2HE2      GLN  66  -9.267 -12.886  -4.742
  128   2HE2  GLN  66          1HE2      GLN  66 -10.154 -11.679  -3.944
  129    H    SER  67           H        SER  67  -6.649  -9.525  -8.510
  130    HA   SER  67           HA       SER  67  -5.601  -9.633 -11.305
  131   1HB   SER  67          1HB       SER  67  -6.199  -7.211  -9.594
  132   2HB   SER  67          2HB       SER  67  -6.124  -7.302 -11.351
  133    HG   SER  67           HG       SER  67  -8.082  -8.123 -11.397
  134    H    TYR  68           H        TYR  68  -4.015  -7.285 -11.116
  135    HA   TYR  68           HA       TYR  68  -1.799  -8.186  -9.303
  136   1HB   TYR  68          1HB       TYR  68  -0.299  -7.348 -11.110
  137   2HB   TYR  68          2HB       TYR  68  -1.371  -8.621 -11.687
  138    HD1  TYR  68           HD1      TYR  68  -0.682  -4.992 -11.738
  139    HD2  TYR  68           HD2      TYR  68  -3.164  -8.150 -13.257
  140    HE1  TYR  68           HE1      TYR  68  -1.567  -3.460 -13.476
  141    HE2  TYR  68           HE2      TYR  68  -4.050  -6.620 -14.994
  142    HH   TYR  68           HH       TYR  68  -3.054  -4.403 -16.170
  143    H    ILE  69           H        ILE  69  -0.109  -6.078  -9.480
  144    HA   ILE  69           HA       ILE  69  -1.653  -3.593  -8.941
  145    HB   ILE  69           HB       ILE  69  -1.527  -4.922  -6.858
  146   1HG1  ILE  69          1HG1      ILE  69   0.456  -2.787  -6.295
  147   2HG1  ILE  69          2HG1      ILE  69  -1.007  -2.267  -7.133
  148   1HG2  ILE  69          1HG2      ILE  69   0.600  -6.110  -7.473
  149   2HG2  ILE  69          2HG2      ILE  69   1.479  -4.624  -7.115
  150   3HG2  ILE  69          3HG2      ILE  69   0.601  -5.460  -5.833
  151   1HD1  ILE  69          1HD1      ILE  69  -2.108  -3.873  -5.254
  152   2HD1  ILE  69          2HD1      ILE  69  -0.682  -3.320  -4.376
  153   3HD1  ILE  69          3HD1      ILE  69  -1.839  -2.147  -5.004
  154    H    CYS  70           H        CYS  70  -0.495  -1.771  -9.541
  155    HA   CYS  70           HA       CYS  70   2.375  -2.169 -10.323
  156   1HB   CYS  70          1HB       CYS  70   0.051  -0.676 -11.518
  157   2HB   CYS  70          2HB       CYS  70   1.703  -0.190 -11.899
  158    H    PHE  71           H        PHE  71   3.720  -1.070  -8.971
  159    HA   PHE  71           HA       PHE  71   2.714   1.268  -7.437
  160   1HB   PHE  71          1HB       PHE  71   5.297  -0.334  -7.371
  161   2HB   PHE  71          2HB       PHE  71   4.865   0.930  -6.219
  162    HD1  PHE  71           HD1      PHE  71   2.787   0.643  -4.793
  163    HD2  PHE  71           HD2      PHE  71   4.443  -2.542  -7.154
  164    HE1  PHE  71           HE1      PHE  71   1.509  -1.012  -3.458
  165    HE2  PHE  71           HE2      PHE  71   3.165  -4.195  -5.819
  166    HZ   PHE  71           HZ       PHE  71   1.699  -3.431  -3.972
  167    H    CYS  72           H        CYS  72   2.839   3.135  -8.667
  168    HA   CYS  72           HA       CYS  72   5.331   3.598 -10.271
  169   1HB   CYS  72          1HB       CYS  72   2.502   4.671 -10.499
  170   2HB   CYS  72          2HB       CYS  72   3.836   5.152 -11.548
  171    H    LEU  73           H        LEU  73   5.294   6.269 -10.597
  172    HA   LEU  73           HA       LEU  73   5.763   7.310  -7.848
  173   1HB   LEU  73          1HB       LEU  73   6.536   8.209 -10.642
  174   2HB   LEU  73          2HB       LEU  73   6.998   9.070  -9.174
  175    HG   LEU  73           HG       LEU  73   7.567   6.150  -9.234
  176   1HD1  LEU  73          1HD1      LEU  73   8.699   8.122 -11.157
  177   2HD1  LEU  73          2HD1      LEU  73   9.844   7.031 -10.374
  178   3HD1  LEU  73          3HD1      LEU  73   8.506   6.376 -11.317
  179   1HD2  LEU  73          1HD2      LEU  73   8.804   8.682  -8.167
  180   2HD2  LEU  73          2HD2      LEU  73   8.305   7.237  -7.286
  181   3HD2  LEU  73          3HD2      LEU  73   9.764   7.207  -8.277
  182    HA   PRO  74           HA       PRO  74   2.308  10.036  -7.954
  183   1HB   PRO  74          1HB       PRO  74   3.326  12.399  -6.998
  184   2HB   PRO  74          2HB       PRO  74   2.998  10.990  -5.968
  185   1HG   PRO  74          1HG       PRO  74   5.581  11.905  -7.150
  186   2HG   PRO  74          2HG       PRO  74   5.242  11.294  -5.521
  187   1HD   PRO  74          1HD       PRO  74   6.360   9.747  -7.419
  188   2HD   PRO  74          2HD       PRO  74   5.244   9.087  -6.202
  189    H    ALA  75           H        ALA  75   5.152  10.790  -9.788
  190    HA   ALA  75           HA       ALA  75   3.901  13.057 -11.216
  191   1HB   ALA  75          1HB       ALA  75   6.340  12.865 -10.512
  192   2HB   ALA  75          2HB       ALA  75   6.513  11.614 -11.744
  193   3HB   ALA  75          3HB       ALA  75   6.084  13.260 -12.211
  194    H    PHE  76           H        PHE  76   3.134   9.950 -11.369
  195    HA   PHE  76           HA       PHE  76   2.977   9.917 -14.364
  196   1HB   PHE  76          1HB       PHE  76   3.845   7.831 -12.371
  197   2HB   PHE  76          2HB       PHE  76   3.187   7.343 -13.933
  198    HD1  PHE  76           HD1      PHE  76   5.912   9.207 -12.253
  199    HD2  PHE  76           HD2      PHE  76   4.412   7.683 -15.977
  200    HE1  PHE  76           HE1      PHE  76   8.100   9.672 -13.324
  201    HE2  PHE  76           HE2      PHE  76   6.599   8.148 -17.049
  202    HZ   PHE  76           HZ       PHE  76   8.442   9.142 -15.722
  203    H    GLU  77           H        GLU  77   0.985   9.229 -15.182
  204    HA   GLU  77           HA       GLU  77  -1.066   8.257 -13.231
  205   1HB   GLU  77          1HB       GLU  77  -2.647   9.883 -14.232
  206   2HB   GLU  77          2HB       GLU  77  -1.256  10.700 -13.524
  207   1HG   GLU  77          1HG       GLU  77  -0.207  10.875 -15.743
  208   2HG   GLU  77          2HG       GLU  77  -1.574  10.024 -16.462
  209    H    GLY  78           H        GLY  78  -3.198   8.012 -14.906
  210   1HA   GLY  78          1HA       GLY  78  -3.816   7.138 -17.135
  211   2HA   GLY  78          2HA       GLY  78  -2.231   6.365 -17.206
  212    H    ARG  79           H        ARG  79  -4.694   4.957 -17.549
  213    HA   ARG  79           HA       ARG  79  -5.670   3.644 -15.213
  214   1HB   ARG  79          1HB       ARG  79  -6.236   3.666 -17.869
  215   2HB   ARG  79          2HB       ARG  79  -5.426   2.104 -17.744
  216   1HG   ARG  79          1HG       ARG  79  -7.553   1.421 -17.196
  217   2HG   ARG  79          2HG       ARG  79  -7.014   1.908 -15.588
  218   1HD   ARG  79          1HD       ARG  79  -8.375   3.758 -15.552
  219   2HD   ARG  79          2HD       ARG  79  -8.164   4.068 -17.286
  220    HE   ARG  79           HE       ARG  79 -10.181   2.307 -16.091
  221   1HH1  ARG  79          1HH1      ARG  79  -8.161   2.726 -18.898
  222   2HH1  ARG  79          2HH1      ARG  79  -9.368   2.141 -19.988
  223   1HH2  ARG  79          1HH2      ARG  79 -11.778   1.681 -17.550
  224   2HH2  ARG  79          2HH2      ARG  79 -11.396   1.553 -19.234
  225    H    ASN  80           H        ASN  80  -2.761   3.134 -17.120
  226    HA   ASN  80           HA       ASN  80  -1.888   1.047 -15.163
  227   1HB   ASN  80          1HB       ASN  80  -1.785   0.968 -18.196
  228   2HB   ASN  80          2HB       ASN  80  -0.968  -0.195 -17.153
  229   1HD2  ASN  80          2HD2      ASN  80  -2.374  -1.567 -15.739
  230   2HD2  ASN  80          1HD2      ASN  80  -3.987  -1.852 -16.186
  231    H    CYS  81           H        CYS  81  -1.127   3.746 -15.050
  232    HA   CYS  81           HA       CYS  81   0.773   5.151 -15.014
  233   1HB   CYS  81          1HB       CYS  81   1.951   2.359 -15.099
  234   2HB   CYS  81          2HB       CYS  81   2.917   3.802 -14.794
  235    H    GLU  82           H        GLU  82  -0.387   4.322 -17.692
  236    HA   GLU  82           HA       GLU  82   1.995   4.300 -19.459
  237   1HB   GLU  82          1HB       GLU  82   0.279   3.950 -21.206
  238   2HB   GLU  82          2HB       GLU  82   0.067   2.817 -19.872
  239   1HG   GLU  82          1HG       GLU  82  -1.442   5.109 -19.175
  240   2HG   GLU  82          2HG       GLU  82  -1.778   4.816 -20.879
  241    H    THR  83           H        THR  83   0.853   6.730 -17.769
  242    HA   THR  83           HA       THR  83   1.113   8.691 -20.008
  243    HB   THR  83           HB       THR  83  -1.005   8.690 -17.832
  244    HG1  THR  83           HG1      THR  83  -2.283   7.819 -19.273
  245   1HG2  THR  83          1HG2      THR  83  -0.311  10.580 -20.075
  246   2HG2  THR  83          2HG2      THR  83  -1.945  10.509 -19.415
  247   3HG2  THR  83          3HG2      THR  83  -0.591  10.949 -18.374
  248    H    HIS  84           H        HIS  84   2.611  10.217 -19.459
  249    HA   HIS  84           HA       HIS  84   3.672  10.345 -16.715
  250   1HB   HIS  84          1HB       HIS  84   4.946  10.398 -18.950
  251   2HB   HIS  84          2HB       HIS  84   4.370  12.057 -19.110
  252    HD1  HIS  84           HD1      HIS  84   7.075  10.126 -17.678
  253    HD2  HIS  84           HD2      HIS  84   5.146  13.687 -16.691
  254    HE1  HIS  84           HE1      HIS  84   8.609  11.352 -16.080
  255    H    LYS  85           H        LYS  85   3.013  11.847 -15.223
  256    HA   LYS  85           HA       LYS  85   0.955  13.814 -15.885
  257   1HB   LYS  85          1HB       LYS  85   2.585  13.187 -13.402
  258   2HB   LYS  85          2HB       LYS  85   1.248  14.337 -13.432
  259   1HG   LYS  85          1HG       LYS  85  -0.309  12.596 -14.084
  260   2HG   LYS  85          2HG       LYS  85   1.005  11.431 -14.256
  261   1HD   LYS  85          1HD       LYS  85   0.151  10.938 -12.122
  262   2HD   LYS  85          2HD       LYS  85   1.516  11.997 -11.763
  263   1HE   LYS  85          1HE       LYS  85   0.116  13.852 -11.316
  264   2HE   LYS  85          2HE       LYS  85  -1.266  13.119 -12.155
  265   1HZ   LYS  85          1HZ       LYS  85  -1.152  11.290 -10.495
  266   2HZ   LYS  85          2HZ       LYS  85  -0.007  12.198  -9.627
  267   3HZ   LYS  85          3HZ       LYS  85  -1.584  12.792  -9.827
  268    H    ASP  86           H        ASP  86   2.796  14.663 -17.552
  269    HA   ASP  86           HA       ASP  86   4.722  16.524 -16.318
  270   1HB   ASP  86          1HB       ASP  86   4.892  15.035 -18.471
  271   2HB   ASP  86          2HB       ASP  86   4.001  16.351 -19.238
  272    H    ASP  87           H        ASP  87   1.559  16.628 -17.866
  273    HA   ASP  87           HA       ASP  87   0.046  18.406 -18.233
  274   1HB   ASP  87          1HB       ASP  87   1.672  19.251 -15.827
  275   2HB   ASP  87          2HB       ASP  87   0.299  20.199 -16.399
  276    H    GLY  88           H        GLY  88   1.236  18.831 -20.324
  277   1HA   GLY  88          1HA       GLY  88   2.841  21.350 -20.229
  278   2HA   GLY  88          2HA       GLY  88   2.927  20.163 -21.531
  279    H    SER  89           H        SER  89   1.586  20.428 -23.273
  280    HA   SER  89           HA       SER  89  -0.096  22.840 -23.384
  281   1HB   SER  89          1HB       SER  89   0.711  20.655 -25.320
  282   2HB   SER  89          2HB       SER  89  -0.353  21.983 -25.776
  283    HG   SER  89           HG       SER  89   2.282  21.968 -25.682
  284    H    ALA  90           H        ALA  90  -0.545  19.306 -23.519
  285    HA   ALA  90           HA       ALA  90  -3.506  19.669 -23.556
  286   1HB   ALA  90          1HB       ALA  90  -1.606  17.359 -24.031
  287   2HB   ALA  90          2HB       ALA  90  -3.356  17.153 -23.977
  288   3HB   ALA  90          3HB       ALA  90  -2.627  18.173 -25.217
  289    H1   FUC  91           H1       FUC  91   9.230  -1.234  -7.951
  290    H2   FUC  91           H2       FUC  91  11.115   0.364  -8.071
  291    H3   FUC  91           H3       FUC  91   9.693   1.363 -10.588
  292    H4   FUC  91           H4       FUC  91   9.491   3.466  -9.311
  293    H5   FUC  91           H5       FUC  91   7.676   1.784  -9.255
  294   1H6   FUC  91          1H6       FUC  91   6.453   2.711  -7.528
  295   2H6   FUC  91          2H6       FUC  91   7.802   2.587  -6.358
  296   3H6   FUC  91          3H6       FUC  91   7.793   3.895  -7.579
  297    HO2  FUC  91           HO2      FUC  91  12.015  -0.948  -9.478
  298    HO3  FUC  91           HO3      FUC  91  11.766   1.767 -11.026
  299    HO4  FUC  91           HO4      FUC  91  11.153   3.370  -7.843
  Start of MODEL    2
    1   1H    SER  45          1H        SER  45  -3.571 -19.080  -5.068
    2   2H    SER  45          2H        SER  45  -2.298 -20.193  -4.904
    3   3H    SER  45          3H        SER  45  -2.171 -18.912  -6.012
    4    HA   SER  45           HA       SER  45  -2.668 -20.868  -7.267
    5   1HB   SER  45          1HB       SER  45  -4.827 -22.077  -6.537
    6   2HB   SER  45          2HB       SER  45  -3.419 -22.270  -5.496
    7    HG   SER  45           HG       SER  45  -5.653 -20.557  -5.161
    8    H    ASP  46           H        ASP  46  -3.195 -18.083  -7.553
    9    HA   ASP  46           HA       ASP  46  -5.986 -17.999  -8.638
   10   1HB   ASP  46          1HB       ASP  46  -4.021 -15.994  -7.549
   11   2HB   ASP  46          2HB       ASP  46  -5.334 -15.457  -8.597
   12    H    GLY  47           H        GLY  47  -6.065 -16.400 -10.619
   13   1HA   GLY  47          1HA       GLY  47  -4.539 -17.538 -12.758
   14   2HA   GLY  47          2HA       GLY  47  -5.517 -16.074 -12.878
   15    H    ASP  48           H        ASP  48  -3.591 -15.459 -14.294
   16    HA   ASP  48           HA       ASP  48  -1.548 -14.075 -12.596
   17   1HB   ASP  48          1HB       ASP  48  -1.197 -15.899 -14.982
   18   2HB   ASP  48          2HB       ASP  48   0.057 -14.752 -14.507
   19    H    GLN  49           H        GLN  49  -1.133 -11.984 -13.279
   20    HA   GLN  49           HA       GLN  49  -2.035 -11.141 -15.998
   21   1HB   GLN  49          1HB       GLN  49  -2.828  -9.947 -13.323
   22   2HB   GLN  49          2HB       GLN  49  -3.161  -9.186 -14.879
   23   1HG   GLN  49          1HG       GLN  49  -4.224 -11.519 -15.472
   24   2HG   GLN  49          2HG       GLN  49  -4.317 -11.703 -13.720
   25   1HE2  GLN  49          2HE2      GLN  49  -4.855  -8.901 -15.944
   26   2HE2  GLN  49          1HE2      GLN  49  -6.379  -8.507 -15.308
   27    H    CYS  50           H        CYS  50   0.617 -11.524 -14.613
   28    HA   CYS  50           HA       CYS  50   1.806  -8.939 -15.380
   29   1HB   CYS  50          1HB       CYS  50   1.005  -8.650 -13.037
   30   2HB   CYS  50          2HB       CYS  50   1.980 -10.036 -12.552
   31    H    ALA  51           H        ALA  51   2.293 -11.207 -16.720
   32    HA   ALA  51           HA       ALA  51   4.582 -12.676 -15.563
   33   1HB   ALA  51          1HB       ALA  51   2.744 -13.773 -16.824
   34   2HB   ALA  51          2HB       ALA  51   3.183 -12.836 -18.252
   35   3HB   ALA  51          3HB       ALA  51   4.306 -14.028 -17.600
   36    H    SER  52           H        SER  52   3.959 -10.154 -17.951
   37    HA   SER  52           HA       SER  52   6.893 -10.090 -18.585
   38   1HB   SER  52          1HB       SER  52   4.408  -9.940 -20.174
   39   2HB   SER  52          2HB       SER  52   5.621  -8.738 -20.609
   40    HG   SER  52           HG       SER  52   5.565 -11.321 -21.208
   41    H    SER  53           H        SER  53   4.280  -7.725 -19.143
   42    HA   SER  53           HA       SER  53   5.035  -5.908 -17.060
   43   1HB   SER  53          1HB       SER  53   6.056  -4.224 -18.758
   44   2HB   SER  53          2HB       SER  53   7.068  -5.569 -18.235
   45    HG   SER  53           HG       SER  53   6.865  -6.485 -20.156
   46    HA   PRO  54           HA       PRO  54   1.070  -5.082 -19.314
   47   1HB   PRO  54          1HB       PRO  54  -0.527  -5.009 -17.094
   48   2HB   PRO  54          2HB       PRO  54  -0.143  -6.512 -17.956
   49   1HG   PRO  54          1HG       PRO  54   1.013  -5.427 -15.440
   50   2HG   PRO  54          2HG       PRO  54   0.630  -7.099 -15.879
   51   1HD   PRO  54          1HD       PRO  54   3.155  -6.055 -15.926
   52   2HD   PRO  54          2HD       PRO  54   2.626  -7.410 -16.947
   53    H    CYS  55           H        CYS  55   2.542  -3.691 -16.428
   54    HA   CYS  55           HA       CYS  55   1.059  -1.229 -16.322
   55   1HB   CYS  55          1HB       CYS  55   3.920  -1.866 -15.510
   56   2HB   CYS  55          2HB       CYS  55   2.967  -0.505 -14.925
   57    H    GLN  56           H        GLN  56   2.257   0.952 -16.758
   58    HA   GLN  56           HA       GLN  56   3.740   0.791 -19.365
   59   1HB   GLN  56          1HB       GLN  56   1.277   2.178 -18.511
   60   2HB   GLN  56          2HB       GLN  56   2.409   3.198 -19.396
   61   1HG   GLN  56          1HG       GLN  56   1.373   2.298 -21.223
   62   2HG   GLN  56          2HG       GLN  56   2.489   0.964 -20.934
   63   1HE2  GLN  56          2HE2      GLN  56   1.004  -0.685 -21.694
   64   2HE2  GLN  56          1HE2      GLN  56  -0.402  -1.090 -20.834
   65    H    ASN  57           H        ASN  57   4.763   3.109 -19.775
   66    HA   ASN  57           HA       ASN  57   6.455   4.624 -19.130
   67   1HB   ASN  57          1HB       ASN  57   4.454   4.636 -16.870
   68   2HB   ASN  57          2HB       ASN  57   5.862   5.697 -16.841
   69   1HD2  ASN  57          2HD2      ASN  57   2.830   6.220 -17.306
   70   2HD2  ASN  57          1HD2      ASN  57   2.805   7.161 -18.719
   71    H    GLY  58           H        GLY  58   6.799   1.717 -18.436
   72   1HA   GLY  58          1HA       GLY  58   8.371   0.405 -17.291
   73   2HA   GLY  58          2HA       GLY  58   9.230   1.908 -16.950
   74    H    GLY  59           H        GLY  59   5.905   1.421 -15.944
   75   1HA   GLY  59          1HA       GLY  59   6.496   2.072 -13.208
   76   2HA   GLY  59          2HA       GLY  59   4.958   1.436 -13.794
   77    H    SER  60           H        SER  60   5.797   0.502 -11.382
   78    HA   SER  60           HA       SER  60   7.228  -2.068 -11.811
   79   1HB   SER  60          1HB       SER  60   6.360  -0.380  -9.474
   80   2HB   SER  60          2HB       SER  60   6.839  -2.056  -9.220
   81    H    CYS  61           H        CYS  61   6.003  -3.822 -12.327
   82    HA   CYS  61           HA       CYS  61   3.097  -3.847 -11.785
   83   1HB   CYS  61          1HB       CYS  61   4.090  -4.499 -13.969
   84   2HB   CYS  61          2HB       CYS  61   4.960  -5.806 -13.169
   85    H    LYS  62           H        LYS  62   2.122  -5.168 -10.270
   86    HA   LYS  62           HA       LYS  62   3.867  -7.050  -8.718
   87   1HB   LYS  62          1HB       LYS  62   2.452  -4.651  -7.930
   88   2HB   LYS  62          2HB       LYS  62   1.773  -6.035  -7.078
   89   1HG   LYS  62          1HG       LYS  62   4.299  -6.664  -6.678
   90   2HG   LYS  62          2HG       LYS  62   4.568  -4.949  -6.992
   91   1HD   LYS  62          1HD       LYS  62   3.509  -4.287  -5.067
   92   2HD   LYS  62          2HD       LYS  62   2.356  -5.621  -5.121
   93   1HE   LYS  62          1HE       LYS  62   3.873  -5.972  -3.232
   94   2HE   LYS  62          2HE       LYS  62   4.243  -7.179  -4.480
   95   1HZ   LYS  62          1HZ       LYS  62   5.576  -4.532  -4.332
   96   2HZ   LYS  62          2HZ       LYS  62   6.220  -5.931  -3.615
   97   3HZ   LYS  62          3HZ       LYS  62   6.014  -5.860  -5.298
   98    H    ASP  63           H        ASP  63   3.067  -9.097  -8.868
   99    HA   ASP  63           HA       ASP  63   0.411  -9.633  -9.973
  100   1HB   ASP  63          1HB       ASP  63   2.487 -10.952 -10.431
  101   2HB   ASP  63          2HB       ASP  63   2.495 -11.469  -8.745
  102    H    GLN  64           H        GLN  64  -1.071  -8.815  -8.382
  103    HA   GLN  64           HA       GLN  64  -0.920  -9.830  -5.607
  104   1HB   GLN  64          1HB       GLN  64  -2.589  -7.868  -7.175
  105   2HB   GLN  64          2HB       GLN  64  -3.099  -8.384  -5.567
  106   1HG   GLN  64          1HG       GLN  64  -0.554  -7.822  -4.985
  107   2HG   GLN  64          2HG       GLN  64  -0.735  -6.747  -6.372
  108   1HE2  GLN  64          2HE2      GLN  64  -0.549  -6.096  -3.401
  109   2HE2  GLN  64          1HE2      GLN  64  -1.931  -5.163  -3.079
  110    H    LEU  65           H        LEU  65  -3.525 -10.228  -4.927
  111    HA   LEU  65           HA       LEU  65  -4.117 -12.859  -5.989
  112   1HB   LEU  65          1HB       LEU  65  -4.571 -11.687  -3.670
  113   2HB   LEU  65          2HB       LEU  65  -6.064 -11.160  -4.450
  114    HG   LEU  65           HG       LEU  65  -6.130 -13.750  -5.155
  115   1HD1  LEU  65          1HD1      LEU  65  -3.964 -14.176  -3.959
  116   2HD1  LEU  65          2HD1      LEU  65  -4.767 -13.756  -2.447
  117   3HD1  LEU  65          3HD1      LEU  65  -5.298 -15.165  -3.365
  118   1HD2  LEU  65          1HD2      LEU  65  -7.763 -12.308  -3.780
  119   2HD2  LEU  65          2HD2      LEU  65  -7.763 -14.040  -3.449
  120   3HD2  LEU  65          3HD2      LEU  65  -6.931 -12.933  -2.357
  121    H    GLN  66           H        GLN  66  -5.819 -13.471  -7.373
  122    HA   GLN  66           HA       GLN  66  -7.322 -13.259  -9.167
  123   1HB   GLN  66          1HB       GLN  66  -7.985 -11.075  -7.227
  124   2HB   GLN  66          2HB       GLN  66  -8.804 -11.072  -8.789
  125   1HG   GLN  66          1HG       GLN  66  -9.245 -13.593  -8.302
  126   2HG   GLN  66          2HG       GLN  66  -8.877 -13.169  -6.630
  127   1HE2  GLN  66          2HE2      GLN  66 -10.013 -10.535  -6.573
  128   2HE2  GLN  66          1HE2      GLN  66 -11.694 -10.675  -6.752
  129    H    SER  67           H        SER  67  -6.989  -9.734  -8.820
  130    HA   SER  67           HA       SER  67  -5.981  -9.600 -11.607
  131   1HB   SER  67          1HB       SER  67  -6.704  -7.315 -11.459
  132   2HB   SER  67          2HB       SER  67  -7.925  -8.265 -10.616
  133    HG   SER  67           HG       SER  67  -6.173  -6.385  -9.668
  134    H    TYR  68           H        TYR  68  -4.630  -7.089 -11.314
  135    HA   TYR  68           HA       TYR  68  -2.285  -7.791  -9.587
  136   1HB   TYR  68          1HB       TYR  68  -0.849  -7.073 -11.488
  137   2HB   TYR  68          2HB       TYR  68  -1.876  -8.434 -11.931
  138    HD1  TYR  68           HD1      TYR  68  -3.924  -8.062 -13.315
  139    HD2  TYR  68           HD2      TYR  68  -1.111  -4.916 -12.516
  140    HE1  TYR  68           HE1      TYR  68  -4.886  -6.731 -15.172
  141    HE2  TYR  68           HE2      TYR  68  -2.074  -3.584 -14.374
  142    HH   TYR  68           HH       TYR  68  -5.033  -4.415 -15.888
  143    H    ILE  69           H        ILE  69  -0.711  -5.627  -9.955
  144    HA   ILE  69           HA       ILE  69  -2.379  -3.179  -9.696
  145    HB   ILE  69           HB       ILE  69  -2.276  -4.290  -7.488
  146   1HG1  ILE  69          1HG1      ILE  69  -0.416  -2.011  -7.085
  147   2HG1  ILE  69          2HG1      ILE  69  -1.878  -1.655  -8.006
  148   1HG2  ILE  69          1HG2      ILE  69   0.033  -5.323  -8.049
  149   2HG2  ILE  69          2HG2      ILE  69   0.698  -3.792  -7.478
  150   3HG2  ILE  69          3HG2      ILE  69  -0.254  -4.800  -6.389
  151   1HD1  ILE  69          1HD1      ILE  69  -2.949  -3.127  -6.001
  152   2HD1  ILE  69          2HD1      ILE  69  -1.580  -2.410  -5.150
  153   3HD1  ILE  69          3HD1      ILE  69  -2.781  -1.373  -5.922
  154    H    CYS  70           H        CYS  70  -1.360  -1.632 -10.886
  155    HA   CYS  70           HA       CYS  70   1.543  -1.894 -11.475
  156   1HB   CYS  70          1HB       CYS  70  -0.817  -0.385 -12.590
  157   2HB   CYS  70          2HB       CYS  70   0.823   0.089 -13.029
  158    H    PHE  71           H        PHE  71   2.959  -0.746 -10.227
  159    HA   PHE  71           HA       PHE  71   2.000   1.496  -8.547
  160   1HB   PHE  71          1HB       PHE  71   4.495  -0.175  -8.822
  161   2HB   PHE  71          2HB       PHE  71   4.518   1.304  -7.861
  162    HD1  PHE  71           HD1      PHE  71   3.102   1.528  -5.851
  163    HD2  PHE  71           HD2      PHE  71   3.249  -2.125  -8.106
  164    HE1  PHE  71           HE1      PHE  71   2.037   0.320  -3.964
  165    HE2  PHE  71           HE2      PHE  71   2.184  -3.333  -6.219
  166    HZ   PHE  71           HZ       PHE  71   1.577  -2.110  -4.149
  167    H    CYS  72           H        CYS  72   1.809   3.380  -9.741
  168    HA   CYS  72           HA       CYS  72   3.564   4.017 -11.981
  169   1HB   CYS  72          1HB       CYS  72   1.639   5.781 -10.434
  170   2HB   CYS  72          2HB       CYS  72   2.224   6.051 -12.070
  171    H    LEU  73           H        LEU  73   4.823   6.079 -12.028
  172    HA   LEU  73           HA       LEU  73   6.618   6.281  -9.726
  173   1HB   LEU  73          1HB       LEU  73   6.335   7.395 -12.490
  174   2HB   LEU  73          2HB       LEU  73   7.380   8.262 -11.368
  175    HG   LEU  73           HG       LEU  73   7.607   5.282 -11.830
  176   1HD1  LEU  73          1HD1      LEU  73   8.013   7.014 -13.839
  177   2HD1  LEU  73          2HD1      LEU  73   9.567   7.184 -13.025
  178   3HD1  LEU  73          3HD1      LEU  73   9.043   5.603 -13.601
  179   1HD2  LEU  73          1HD2      LEU  73   9.485   7.374 -10.684
  180   2HD2  LEU  73          2HD2      LEU  73   8.609   6.155  -9.758
  181   3HD2  LEU  73          3HD2      LEU  73   9.873   5.666 -10.887
  182    HA   PRO  74           HA       PRO  74   4.809   9.729  -7.660
  183   1HB   PRO  74          1HB       PRO  74   6.859  11.531  -7.349
  184   2HB   PRO  74          2HB       PRO  74   6.718  10.040  -6.395
  185   1HG   PRO  74          1HG       PRO  74   8.383  10.585  -8.813
  186   2HG   PRO  74          2HG       PRO  74   8.811   9.728  -7.322
  187   1HD   PRO  74          1HD       PRO  74   8.182   8.411  -9.577
  188   2HD   PRO  74          2HD       PRO  74   7.743   7.782  -7.973
  189    H    ALA  75           H        ALA  75   6.432  10.294 -10.698
  190    HA   ALA  75           HA       ALA  75   4.914  12.846 -11.082
  191   1HB   ALA  75          1HB       ALA  75   7.567  11.794 -11.824
  192   2HB   ALA  75          2HB       ALA  75   6.732  12.619 -13.140
  193   3HB   ALA  75          3HB       ALA  75   7.042  13.465 -11.624
  194    H    PHE  76           H        PHE  76   3.909   9.990 -11.389
  195    HA   PHE  76           HA       PHE  76   2.955  10.262 -14.213
  196   1HB   PHE  76          1HB       PHE  76   4.309   7.957 -12.828
  197   2HB   PHE  76          2HB       PHE  76   3.199   7.654 -14.165
  198    HD1  PHE  76           HD1      PHE  76   6.379   9.269 -13.182
  199    HD2  PHE  76           HD2      PHE  76   3.746   8.284 -16.429
  200    HE1  PHE  76           HE1      PHE  76   8.159   9.858 -14.805
  201    HE2  PHE  76           HE2      PHE  76   5.524   8.873 -18.052
  202    HZ   PHE  76           HZ       PHE  76   7.729   9.662 -17.239
  203    H    GLU  77           H        GLU  77   0.924   9.087 -14.590
  204    HA   GLU  77           HA       GLU  77  -0.546   8.115 -12.205
  205   1HB   GLU  77          1HB       GLU  77  -2.370   9.743 -12.623
  206   2HB   GLU  77          2HB       GLU  77  -0.854  10.566 -12.263
  207   1HG   GLU  77          1HG       GLU  77  -0.485  10.663 -14.803
  208   2HG   GLU  77          2HG       GLU  77  -2.181  10.200 -14.953
  209    H    GLY  78           H        GLY  78  -3.038   7.849 -13.248
  210   1HA   GLY  78          1HA       GLY  78  -4.230   7.082 -15.263
  211   2HA   GLY  78          2HA       GLY  78  -2.696   6.458 -15.870
  212    H    ARG  79           H        ARG  79  -5.217   4.992 -15.459
  213    HA   ARG  79           HA       ARG  79  -5.189   3.364 -13.119
  214   1HB   ARG  79          1HB       ARG  79  -6.582   1.856 -14.528
  215   2HB   ARG  79          2HB       ARG  79  -7.067   3.542 -14.697
  216   1HG   ARG  79          1HG       ARG  79  -5.963   3.744 -16.813
  217   2HG   ARG  79          2HG       ARG  79  -5.124   2.208 -16.596
  218   1HD   ARG  79          1HD       ARG  79  -7.594   1.248 -16.411
  219   2HD   ARG  79          2HD       ARG  79  -7.985   2.709 -17.341
  220    HE   ARG  79           HE       ARG  79  -5.861   1.828 -18.740
  221   1HH1  ARG  79          1HH1      ARG  79  -8.782   0.252 -17.682
  222   2HH1  ARG  79          2HH1      ARG  79  -8.608  -1.057 -18.799
  223   1HH2  ARG  79          1HH2      ARG  79  -5.591   0.042 -20.085
  224   2HH2  ARG  79          2HH2      ARG  79  -6.821  -1.176 -20.148
  225    H    ASN  80           H        ASN  80  -3.251   3.230 -16.044
  226    HA   ASN  80           HA       ASN  80  -1.915   0.751 -14.999
  227   1HB   ASN  80          1HB       ASN  80  -2.640   1.672 -17.788
  228   2HB   ASN  80          2HB       ASN  80  -1.458   0.394 -17.508
  229   1HD2  ASN  80          2HD2      ASN  80  -2.296  -1.473 -16.056
  230   2HD2  ASN  80          1HD2      ASN  80  -3.924  -1.919 -16.236
  231    H    CYS  81           H        CYS  81  -1.290   3.680 -14.584
  232    HA   CYS  81           HA       CYS  81   0.611   5.083 -14.564
  233   1HB   CYS  81          1HB       CYS  81   1.985   2.453 -15.223
  234   2HB   CYS  81          2HB       CYS  81   2.745   3.868 -14.502
  235    H    GLU  82           H        GLU  82  -0.777   5.194 -16.976
  236    HA   GLU  82           HA       GLU  82   1.409   5.228 -19.032
  237   1HB   GLU  82          1HB       GLU  82  -0.461   4.910 -20.653
  238   2HB   GLU  82          2HB       GLU  82  -0.370   3.601 -19.478
  239   1HG   GLU  82          1HG       GLU  82  -2.344   4.180 -18.476
  240   2HG   GLU  82          2HG       GLU  82  -2.081   5.907 -18.714
  241    H    THR  83           H        THR  83   0.481   7.370 -17.040
  242    HA   THR  83           HA       THR  83   0.096   9.529 -19.073
  243    HB   THR  83           HB       THR  83  -1.455   9.166 -16.488
  244    HG1  THR  83           HG1      THR  83  -2.941   8.273 -17.679
  245   1HG2  THR  83          1HG2      THR  83  -0.946  11.538 -17.337
  246   2HG2  THR  83          2HG2      THR  83  -1.988  11.143 -18.704
  247   3HG2  THR  83          3HG2      THR  83  -2.642  11.136 -17.067
  248    H    HIS  84           H        HIS  84   1.083  11.504 -18.478
  249    HA   HIS  84           HA       HIS  84   3.084  11.335 -16.298
  250   1HB   HIS  84          1HB       HIS  84   2.502  13.197 -18.611
  251   2HB   HIS  84          2HB       HIS  84   3.746  13.559 -17.415
  252    HD1  HIS  84           HD1      HIS  84   2.792  10.749 -19.811
  253    HD2  HIS  84           HD2      HIS  84   6.167  12.317 -17.932
  254    HE1  HIS  84           HE1      HIS  84   4.780   9.478 -20.732
  255    H    LYS  85           H        LYS  85   2.918  12.529 -14.405
  256    HA   LYS  85           HA       LYS  85   0.386  13.896 -13.817
  257   1HB   LYS  85          1HB       LYS  85   2.911  13.152 -12.350
  258   2HB   LYS  85          2HB       LYS  85   1.732  14.224 -11.597
  259   1HG   LYS  85          1HG       LYS  85   0.634  11.764 -12.845
  260   2HG   LYS  85          2HG       LYS  85   1.613  11.525 -11.398
  261   1HD   LYS  85          1HD       LYS  85   0.097  13.613 -10.581
  262   2HD   LYS  85          2HD       LYS  85  -1.031  12.844 -11.697
  263   1HE   LYS  85          1HE       LYS  85  -0.164  10.644 -10.388
  264   2HE   LYS  85          2HE       LYS  85   0.020  11.848  -9.097
  265   1HZ   LYS  85          1HZ       LYS  85  -2.411  11.576 -10.783
  266   2HZ   LYS  85          2HZ       LYS  85  -2.251  10.885  -9.239
  267   3HZ   LYS  85          3HZ       LYS  85  -2.217  12.571  -9.420
  268    H    ASP  86           H        ASP  86   3.721  14.982 -13.138
  269    HA   ASP  86           HA       ASP  86   3.022  17.660 -14.297
  270   1HB   ASP  86          1HB       ASP  86   4.105  16.852 -11.606
  271   2HB   ASP  86          2HB       ASP  86   4.491  18.442 -12.264
  272    H    ASP  87           H        ASP  87   4.564  15.496 -15.517
  273    HA   ASP  87           HA       ASP  87   7.412  16.163 -15.234
  274   1HB   ASP  87          1HB       ASP  87   6.523  13.877 -15.671
  275   2HB   ASP  87          2HB       ASP  87   5.902  14.437 -17.224
  276    H    GLY  88           H        GLY  88   5.246  16.118 -18.091
  277   1HA   GLY  88          1HA       GLY  88   5.131  17.551 -19.945
  278   2HA   GLY  88          2HA       GLY  88   5.773  18.814 -18.892
  279    H    SER  89           H        SER  89   6.530  18.472 -21.628
  280    HA   SER  89           HA       SER  89   8.449  18.397 -22.982
  281   1HB   SER  89          1HB       SER  89   9.337  20.057 -21.572
  282   2HB   SER  89          2HB       SER  89   9.448  18.966 -20.196
  283    HG   SER  89           HG       SER  89  11.356  19.578 -21.828
  284    H    ALA  90           H        ALA  90  10.162  16.892 -20.255
  285    HA   ALA  90           HA       ALA  90   9.811  14.165 -21.262
  286   1HB   ALA  90          1HB       ALA  90  11.355  15.327 -22.889
  287   2HB   ALA  90          2HB       ALA  90  12.495  15.548 -21.562
  288   3HB   ALA  90          3HB       ALA  90  12.075  13.923 -22.104
  289    H1   FUC  91           H1       FUC  91   8.758  -0.634  -7.946
  290    H2   FUC  91           H2       FUC  91  10.589   0.993  -8.310
  291    H3   FUC  91           H3       FUC  91   9.763   0.784 -11.247
  292    H4   FUC  91           H4       FUC  91   9.229   3.180 -10.988
  293    H5   FUC  91           H5       FUC  91   7.485   1.460 -10.632
  294   1H6   FUC  91          1H6       FUC  91   6.110   2.742  -8.763
  295   2H6   FUC  91          2H6       FUC  91   7.429   3.944  -8.901
  296   3H6   FUC  91          3H6       FUC  91   6.440   3.532 -10.335
  297    HO2  FUC  91           HO2      FUC  91  10.660  -1.220 -10.134
  298    HO3  FUC  91           HO3      FUC  91  11.554   1.991 -11.636
  299    HO4  FUC  91           HO4      FUC  91   9.928   4.188  -9.257
  Start of MODEL    3
    1   1H    SER  45          1H        SER  45  -0.857 -19.410  -7.406
    2   2H    SER  45          2H        SER  45   0.078 -20.533  -8.274
    3   3H    SER  45          3H        SER  45   0.088 -18.898  -8.722
    4    HA   SER  45           HA       SER  45  -1.295 -20.091 -10.271
    5   1HB   SER  45          1HB       SER  45  -3.110 -21.478  -9.396
    6   2HB   SER  45          2HB       SER  45  -1.598 -21.965  -8.636
    7    HG   SER  45           HG       SER  45  -2.178 -20.874  -6.806
    8    H    ASP  46           H        ASP  46  -1.554 -17.747 -10.607
    9    HA   ASP  46           HA       ASP  46  -4.049 -16.644  -9.351
   10   1HB   ASP  46          1HB       ASP  46  -2.935 -14.433  -9.647
   11   2HB   ASP  46          2HB       ASP  46  -1.989 -15.514  -8.626
   12    H    GLY  47           H        GLY  47  -2.056 -16.794 -12.298
   13   1HA   GLY  47          1HA       GLY  47  -3.560 -17.280 -14.350
   14   2HA   GLY  47          2HA       GLY  47  -4.393 -15.800 -13.870
   15    H    ASP  48           H        ASP  48  -3.657 -15.257 -16.183
   16    HA   ASP  48           HA       ASP  48  -0.801 -14.438 -16.358
   17   1HB   ASP  48          1HB       ASP  48  -2.429 -15.671 -18.103
   18   2HB   ASP  48          2HB       ASP  48  -2.795 -14.001 -18.537
   19    H    GLN  49           H        GLN  49  -0.869 -12.590 -14.928
   20    HA   GLN  49           HA       GLN  49  -2.480 -10.275 -15.960
   21   1HB   GLN  49          1HB       GLN  49  -1.647 -11.131 -13.179
   22   2HB   GLN  49          2HB       GLN  49  -2.304  -9.531 -13.525
   23   1HG   GLN  49          1HG       GLN  49  -4.241 -10.694 -12.963
   24   2HG   GLN  49          2HG       GLN  49  -4.217 -10.896 -14.715
   25   1HE2  GLN  49          2HE2      GLN  49  -2.563 -12.560 -11.959
   26   2HE2  GLN  49          1HE2      GLN  49  -2.955 -14.124 -12.485
   27    H    CYS  50           H        CYS  50   0.420 -10.923 -13.948
   28    HA   CYS  50           HA       CYS  50   1.728  -8.516 -15.133
   29   1HB   CYS  50          1HB       CYS  50   1.461  -8.866 -12.642
   30   2HB   CYS  50          2HB       CYS  50   2.535 -10.257 -12.782
   31    H    ALA  51           H        ALA  51   1.455 -11.257 -16.451
   32    HA   ALA  51           HA       ALA  51   4.180 -12.361 -16.460
   33   1HB   ALA  51          1HB       ALA  51   1.486 -12.967 -17.541
   34   2HB   ALA  51          2HB       ALA  51   2.838 -13.543 -18.517
   35   3HB   ALA  51          3HB       ALA  51   2.682 -14.054 -16.836
   36    H    SER  52           H        SER  52   2.251 -10.154 -18.409
   37    HA   SER  52           HA       SER  52   4.487  -9.975 -20.402
   38   1HB   SER  52          1HB       SER  52   1.541  -9.277 -20.605
   39   2HB   SER  52          2HB       SER  52   2.709  -9.156 -21.919
   40    HG   SER  52           HG       SER  52   1.550 -11.393 -20.727
   41    H    SER  53           H        SER  53   4.120  -8.532 -17.715
   42    HA   SER  53           HA       SER  53   4.381  -6.349 -16.853
   43   1HB   SER  53          1HB       SER  53   5.458  -5.859 -19.644
   44   2HB   SER  53          2HB       SER  53   5.916  -5.016 -18.167
   45    HG   SER  53           HG       SER  53   7.003  -6.760 -17.492
   46    HA   PRO  54           HA       PRO  54   0.620  -4.806 -19.111
   47   1HB   PRO  54          1HB       PRO  54  -0.956  -4.499 -16.897
   48   2HB   PRO  54          2HB       PRO  54  -0.841  -6.026 -17.795
   49   1HG   PRO  54          1HG       PRO  54   0.477  -5.223 -15.251
   50   2HG   PRO  54          2HG       PRO  54  -0.205  -6.785 -15.725
   51   1HD   PRO  54          1HD       PRO  54   2.467  -6.237 -15.746
   52   2HD   PRO  54          2HD       PRO  54   1.700  -7.435 -16.812
   53    H    CYS  55           H        CYS  55   2.325  -3.755 -16.213
   54    HA   CYS  55           HA       CYS  55   1.290  -1.093 -16.004
   55   1HB   CYS  55          1HB       CYS  55   4.068  -2.154 -15.375
   56   2HB   CYS  55          2HB       CYS  55   3.337  -0.706 -14.692
   57    H    GLN  56           H        GLN  56   3.066   0.806 -16.361
   58    HA   GLN  56           HA       GLN  56   4.410   0.497 -19.002
   59   1HB   GLN  56          1HB       GLN  56   1.844   1.435 -18.787
   60   2HB   GLN  56          2HB       GLN  56   2.764   2.935 -18.675
   61   1HG   GLN  56          1HG       GLN  56   2.270   2.498 -21.014
   62   2HG   GLN  56          2HG       GLN  56   3.999   2.274 -20.750
   63   1HE2  GLN  56          2HE2      GLN  56   1.201   0.081 -20.100
   64   2HE2  GLN  56          1HE2      GLN  56   1.816  -1.207 -21.016
   65    H    ASN  57           H        ASN  57   5.513   2.743 -19.517
   66    HA   ASN  57           HA       ASN  57   7.199   4.273 -18.892
   67   1HB   ASN  57          1HB       ASN  57   5.036   4.509 -16.810
   68   2HB   ASN  57          2HB       ASN  57   6.486   5.508 -16.699
   69   1HD2  ASN  57          2HD2      ASN  57   3.561   6.179 -17.458
   70   2HD2  ASN  57          1HD2      ASN  57   3.709   7.021 -18.925
   71    H    GLY  58           H        GLY  58   7.551   1.464 -18.035
   72   1HA   GLY  58          1HA       GLY  58   9.036   0.231 -16.705
   73   2HA   GLY  58          2HA       GLY  58   9.825   1.765 -16.340
   74    H    GLY  59           H        GLY  59   6.434   1.231 -15.624
   75   1HA   GLY  59          1HA       GLY  59   6.761   1.981 -12.866
   76   2HA   GLY  59          2HA       GLY  59   5.295   1.294 -13.570
   77    H    SER  60           H        SER  60   5.892   0.440 -11.072
   78    HA   SER  60           HA       SER  60   7.411  -2.111 -11.290
   79   1HB   SER  60          1HB       SER  60   6.337  -0.363  -9.088
   80   2HB   SER  60          2HB       SER  60   6.811  -2.022  -8.741
   81    H    CYS  61           H        CYS  61   6.222  -3.856 -11.931
   82    HA   CYS  61           HA       CYS  61   3.293  -3.926 -11.533
   83   1HB   CYS  61          1HB       CYS  61   4.402  -4.543 -13.671
   84   2HB   CYS  61          2HB       CYS  61   5.250  -5.847 -12.840
   85    H    LYS  62           H        LYS  62   2.389  -4.951  -9.802
   86    HA   LYS  62           HA       LYS  62   4.025  -6.990  -8.327
   87   1HB   LYS  62          1HB       LYS  62   2.636  -4.550  -7.548
   88   2HB   LYS  62          2HB       LYS  62   2.013  -5.933  -6.650
   89   1HG   LYS  62          1HG       LYS  62   3.803  -5.373  -5.299
   90   2HG   LYS  62          2HG       LYS  62   4.605  -6.491  -6.403
   91   1HD   LYS  62          1HD       LYS  62   5.304  -4.577  -7.815
   92   2HD   LYS  62          2HD       LYS  62   4.541  -3.471  -6.672
   93   1HE   LYS  62          1HE       LYS  62   6.503  -5.439  -5.564
   94   2HE   LYS  62          2HE       LYS  62   7.142  -4.056  -6.476
   95   1HZ   LYS  62          1HZ       LYS  62   5.672  -2.613  -5.135
   96   2HZ   LYS  62          2HZ       LYS  62   5.250  -3.957  -4.186
   97   3HZ   LYS  62          3HZ       LYS  62   6.853  -3.394  -4.203
   98    H    ASP  63           H        ASP  63   2.956  -8.921  -7.776
   99    HA   ASP  63           HA       ASP  63   0.375  -9.419  -9.171
  100   1HB   ASP  63          1HB       ASP  63   2.550 -10.808  -9.341
  101   2HB   ASP  63          2HB       ASP  63   2.142 -11.401  -7.730
  102    H    GLN  64           H        GLN  64  -1.358  -8.887  -7.862
  103    HA   GLN  64           HA       GLN  64  -1.234  -9.335  -4.940
  104   1HB   GLN  64          1HB       GLN  64  -3.095  -8.019  -6.913
  105   2HB   GLN  64          2HB       GLN  64  -3.631  -8.328  -5.263
  106   1HG   GLN  64          1HG       GLN  64  -1.032  -6.911  -5.865
  107   2HG   GLN  64          2HG       GLN  64  -2.558  -6.042  -5.699
  108   1HE2  GLN  64          2HE2      GLN  64   0.107  -6.882  -3.926
  109   2HE2  GLN  64          1HE2      GLN  64  -0.588  -6.963  -2.379
  110    H    LEU  65           H        LEU  65  -3.820 -10.072  -4.343
  111    HA   LEU  65           HA       LEU  65  -3.813 -12.923  -4.956
  112   1HB   LEU  65          1HB       LEU  65  -4.705 -11.256  -2.931
  113   2HB   LEU  65          2HB       LEU  65  -6.208 -11.752  -3.705
  114    HG   LEU  65           HG       LEU  65  -5.599 -13.316  -1.905
  115   1HD1  LEU  65          1HD1      LEU  65  -6.576 -14.027  -4.248
  116   2HD1  LEU  65          2HD1      LEU  65  -5.015 -14.829  -4.429
  117   3HD1  LEU  65          3HD1      LEU  65  -6.080 -15.259  -3.089
  118   1HD2  LEU  65          1HD2      LEU  65  -3.046 -12.836  -2.417
  119   2HD2  LEU  65          2HD2      LEU  65  -3.543 -14.392  -1.751
  120   3HD2  LEU  65          3HD2      LEU  65  -3.215 -14.235  -3.476
  121    H    GLN  66           H        GLN  66  -6.504 -10.579  -5.289
  122    HA   GLN  66           HA       GLN  66  -7.945 -12.185  -7.189
  123   1HB   GLN  66          1HB       GLN  66  -8.907 -10.462  -5.683
  124   2HB   GLN  66          2HB       GLN  66  -8.076  -9.208  -6.600
  125   1HG   GLN  66          1HG       GLN  66 -10.066  -9.142  -7.735
  126   2HG   GLN  66          2HG       GLN  66  -9.333 -10.475  -8.628
  127   1HE2  GLN  66          2HE2      GLN  66 -12.022  -9.601  -6.684
  128   2HE2  GLN  66          1HE2      GLN  66 -12.631 -11.164  -6.421
  129    H    SER  67           H        SER  67  -6.572  -8.936  -7.843
  130    HA   SER  67           HA       SER  67  -5.893  -9.892 -10.608
  131   1HB   SER  67          1HB       SER  67  -7.767  -8.116 -10.008
  132   2HB   SER  67          2HB       SER  67  -6.393  -7.022  -9.868
  133    HG   SER  67           HG       SER  67  -6.293  -6.996 -11.959
  134    H    TYR  68           H        TYR  68  -4.489  -7.360 -11.161
  135    HA   TYR  68           HA       TYR  68  -2.018  -7.835  -9.532
  136   1HB   TYR  68          1HB       TYR  68  -0.849  -7.028 -11.574
  137   2HB   TYR  68          2HB       TYR  68  -1.877  -8.415 -11.926
  138    HD1  TYR  68           HD1      TYR  68  -1.594  -4.726 -12.187
  139    HD2  TYR  68           HD2      TYR  68  -3.799  -8.220 -13.362
  140    HE1  TYR  68           HE1      TYR  68  -2.815  -3.386 -13.878
  141    HE2  TYR  68           HE2      TYR  68  -5.020  -6.880 -15.053
  142    HH   TYR  68           HH       TYR  68  -5.616  -4.455 -15.395
  143    H    ILE  69           H        ILE  69  -0.568  -5.652  -9.868
  144    HA   ILE  69           HA       ILE  69  -2.243  -3.229  -9.515
  145    HB   ILE  69           HB       ILE  69  -2.112  -4.398  -7.336
  146   1HG1  ILE  69          1HG1      ILE  69  -0.277  -2.109  -6.887
  147   2HG1  ILE  69          2HG1      ILE  69  -1.746  -1.746  -7.793
  148   1HG2  ILE  69          1HG2      ILE  69   0.365  -5.188  -8.082
  149   2HG2  ILE  69          2HG2      ILE  69   0.786  -3.824  -7.047
  150   3HG2  ILE  69          3HG2      ILE  69  -0.169  -5.157  -6.401
  151   1HD1  ILE  69          1HD1      ILE  69  -2.785  -3.285  -5.816
  152   2HD1  ILE  69          2HD1      ILE  69  -1.427  -2.557  -4.958
  153   3HD1  ILE  69          3HD1      ILE  69  -2.650  -1.529  -5.702
  154    H    CYS  70           H        CYS  70  -1.242  -1.703 -10.755
  155    HA   CYS  70           HA       CYS  70   1.677  -1.915 -11.293
  156   1HB   CYS  70          1HB       CYS  70  -0.693  -0.485 -12.488
  157   2HB   CYS  70          2HB       CYS  70   0.948  -0.002 -12.918
  158    H    PHE  71           H        PHE  71   3.007  -0.743  -9.967
  159    HA   PHE  71           HA       PHE  71   1.953   1.558  -8.431
  160   1HB   PHE  71          1HB       PHE  71   4.460  -0.116  -8.499
  161   2HB   PHE  71          2HB       PHE  71   4.429   1.398  -7.595
  162    HD1  PHE  71           HD1      PHE  71   2.668   1.728  -5.803
  163    HD2  PHE  71           HD2      PHE  71   3.406  -2.076  -7.659
  164    HE1  PHE  71           HE1      PHE  71   1.496   0.590  -3.938
  165    HE2  PHE  71           HE2      PHE  71   2.233  -3.213  -5.792
  166    HZ   PHE  71           HZ       PHE  71   1.278  -1.880  -3.932
  167    H    CYS  72           H        CYS  72   1.923   3.482  -9.534
  168    HA   CYS  72           HA       CYS  72   3.859   4.013 -11.703
  169   1HB   CYS  72          1HB       CYS  72   1.641   5.736 -10.549
  170   2HB   CYS  72          2HB       CYS  72   2.431   5.952 -12.106
  171    H    LEU  73           H        LEU  73   4.581   6.498 -11.658
  172    HA   LEU  73           HA       LEU  73   6.209   6.829  -9.202
  173   1HB   LEU  73          1HB       LEU  73   6.173   7.781 -12.035
  174   2HB   LEU  73          2HB       LEU  73   6.985   8.801 -10.850
  175    HG   LEU  73           HG       LEU  73   7.573   5.872 -10.809
  176   1HD1  LEU  73          1HD1      LEU  73   7.668   7.041 -13.233
  177   2HD1  LEU  73          2HD1      LEU  73   9.236   7.559 -12.613
  178   3HD1  LEU  73          3HD1      LEU  73   8.853   5.840 -12.716
  179   1HD2  LEU  73          1HD2      LEU  73   9.152   8.423 -10.357
  180   2HD2  LEU  73          2HD2      LEU  73   8.581   7.300  -9.123
  181   3HD2  LEU  73          3HD2      LEU  73   9.844   6.804 -10.249
  182    HA   PRO  74           HA       PRO  74   3.866  10.169  -7.545
  183   1HB   PRO  74          1HB       PRO  74   5.705  12.142  -7.038
  184   2HB   PRO  74          2HB       PRO  74   5.557  10.670  -6.057
  185   1HG   PRO  74          1HG       PRO  74   7.485  11.294  -8.248
  186   2HG   PRO  74          2HG       PRO  74   7.771  10.504  -6.687
  187   1HD   PRO  74          1HD       PRO  74   7.553   9.103  -8.975
  188   2HD   PRO  74          2HD       PRO  74   6.976   8.464  -7.420
  189    H    ALA  75           H        ALA  75   5.667  10.676 -10.456
  190    HA   ALA  75           HA       ALA  75   4.121  13.176 -11.040
  191   1HB   ALA  75          1HB       ALA  75   6.794  12.066 -11.891
  192   2HB   ALA  75          2HB       ALA  75   6.002  13.328 -12.835
  193   3HB   ALA  75          3HB       ALA  75   6.440  13.628 -11.153
  194    H    PHE  76           H        PHE  76   3.330  10.208 -11.366
  195    HA   PHE  76           HA       PHE  76   2.618  10.393 -14.275
  196   1HB   PHE  76          1HB       PHE  76   3.816   8.158 -12.648
  197   2HB   PHE  76          2HB       PHE  76   2.865   7.794 -14.089
  198    HD1  PHE  76           HD1      PHE  76   5.864   9.584 -12.832
  199    HD2  PHE  76           HD2      PHE  76   3.715   8.213 -16.289
  200    HE1  PHE  76           HE1      PHE  76   7.823  10.110 -14.257
  201    HE2  PHE  76           HE2      PHE  76   5.673   8.743 -17.716
  202    HZ   PHE  76           HZ       PHE  76   7.727   9.692 -16.700
  203    H    GLU  77           H        GLU  77   0.693   8.988 -14.789
  204    HA   GLU  77           HA       GLU  77  -1.060   8.305 -12.491
  205   1HB   GLU  77          1HB       GLU  77  -1.150  10.804 -13.556
  206   2HB   GLU  77          2HB       GLU  77  -2.293   9.977 -14.615
  207   1HG   GLU  77          1HG       GLU  77  -3.148   9.014 -12.256
  208   2HG   GLU  77          2HG       GLU  77  -2.486  10.551 -11.699
  209    H    GLY  78           H        GLY  78  -3.272   7.484 -13.538
  210   1HA   GLY  78          1HA       GLY  78  -4.295   6.406 -15.508
  211   2HA   GLY  78          2HA       GLY  78  -2.670   5.994 -16.057
  212    H    ARG  79           H        ARG  79  -4.641   4.022 -15.807
  213    HA   ARG  79           HA       ARG  79  -4.419   2.637 -13.249
  214   1HB   ARG  79          1HB       ARG  79  -5.696   0.894 -14.481
  215   2HB   ARG  79          2HB       ARG  79  -6.401   2.495 -14.694
  216   1HG   ARG  79          1HG       ARG  79  -5.612   2.684 -16.904
  217   2HG   ARG  79          2HG       ARG  79  -4.392   1.432 -16.676
  218   1HD   ARG  79          1HD       ARG  79  -6.334  -0.208 -16.332
  219   2HD   ARG  79          2HD       ARG  79  -7.385   1.076 -16.966
  220    HE   ARG  79           HE       ARG  79  -5.433   1.056 -18.843
  221   1HH1  ARG  79          1HH1      ARG  79  -7.484  -1.423 -17.506
  222   2HH1  ARG  79          2HH1      ARG  79  -7.191  -2.520 -18.811
  223   1HH2  ARG  79          1HH2      ARG  79  -4.963  -0.445 -20.456
  224   2HH2  ARG  79          2HH2      ARG  79  -5.780  -1.973 -20.466
  225    H    ASN  80           H        ASN  80  -2.614   2.642 -16.250
  226    HA   ASN  80           HA       ASN  80  -0.999   0.312 -15.262
  227   1HB   ASN  80          1HB       ASN  80  -1.744   1.289 -18.031
  228   2HB   ASN  80          2HB       ASN  80  -0.502   0.068 -17.755
  229   1HD2  ASN  80          2HD2      ASN  80  -1.471  -1.647 -15.927
  230   2HD2  ASN  80          1HD2      ASN  80  -2.984  -2.276 -16.369
  231    H    CYS  81           H        CYS  81  -0.704   3.311 -14.770
  232    HA   CYS  81           HA       CYS  81   1.036   4.908 -14.701
  233   1HB   CYS  81          1HB       CYS  81   2.695   2.429 -15.271
  234   2HB   CYS  81          2HB       CYS  81   3.271   3.914 -14.523
  235    H    GLU  82           H        GLU  82  -0.257   4.673 -17.235
  236    HA   GLU  82           HA       GLU  82   1.982   4.853 -19.205
  237   1HB   GLU  82          1HB       GLU  82   0.142   4.569 -20.853
  238   2HB   GLU  82          2HB       GLU  82   0.154   3.272 -19.660
  239   1HG   GLU  82          1HG       GLU  82  -1.712   4.161 -18.503
  240   2HG   GLU  82          2HG       GLU  82  -1.550   5.737 -19.279
  241    H    THR  83           H        THR  83  -0.360   6.790 -17.508
  242    HA   THR  83           HA       THR  83  -0.283   9.017 -19.436
  243    HB   THR  83           HB       THR  83  -1.351   9.014 -16.608
  244    HG1  THR  83           HG1      THR  83  -3.246   8.132 -17.495
  245   1HG2  THR  83          1HG2      THR  83  -2.010  10.455 -19.179
  246   2HG2  THR  83          2HG2      THR  83  -3.110  10.439 -17.802
  247   3HG2  THR  83          3HG2      THR  83  -1.505  11.153 -17.640
  248    H    HIS  84           H        HIS  84   0.756  11.029 -19.019
  249    HA   HIS  84           HA       HIS  84   2.887  10.940 -16.908
  250   1HB   HIS  84          1HB       HIS  84   3.167  11.094 -19.587
  251   2HB   HIS  84          2HB       HIS  84   2.994  12.812 -19.227
  252    HD1  HIS  84           HD1      HIS  84   5.614  10.642 -19.785
  253    HD2  HIS  84           HD2      HIS  84   4.777  13.171 -16.578
  254    HE1  HIS  84           HE1      HIS  84   7.814  11.044 -18.598
  255    H    LYS  85           H        LYS  85   2.243  12.189 -15.192
  256    HA   LYS  85           HA       LYS  85   0.271  14.287 -15.330
  257   1HB   LYS  85          1HB       LYS  85   2.407  13.547 -13.305
  258   2HB   LYS  85          2HB       LYS  85   1.131  14.724 -12.995
  259   1HG   LYS  85          1HG       LYS  85  -0.566  12.968 -13.498
  260   2HG   LYS  85          2HG       LYS  85   0.741  11.798 -13.688
  261   1HD   LYS  85          1HD       LYS  85  -0.028  11.544 -11.442
  262   2HD   LYS  85          2HD       LYS  85   1.482  12.450 -11.331
  263   1HE   LYS  85          1HE       LYS  85  -0.294  14.502 -11.611
  264   2HE   LYS  85          2HE       LYS  85  -1.281  13.327 -10.717
  265   1HZ   LYS  85          1HZ       LYS  85   1.516  13.998  -9.987
  266   2HZ   LYS  85          2HZ       LYS  85   0.172  14.767  -9.295
  267   3HZ   LYS  85          3HZ       LYS  85   0.396  13.097  -9.079
  268    H    ASP  86           H        ASP  86   0.915  15.849 -16.892
  269    HA   ASP  86           HA       ASP  86   3.561  17.159 -16.629
  270   1HB   ASP  86          1HB       ASP  86   2.180  16.438 -18.765
  271   2HB   ASP  86          2HB       ASP  86   1.369  17.983 -18.511
  272    H    ASP  87           H        ASP  87   3.220  18.243 -14.566
  273    HA   ASP  87           HA       ASP  87   2.547  20.036 -13.184
  274   1HB   ASP  87          1HB       ASP  87   2.362  21.025 -16.020
  275   2HB   ASP  87          2HB       ASP  87   1.904  22.090 -14.691
  276    H    GLY  88           H        GLY  88   0.557  21.792 -13.098
  277   1HA   GLY  88          1HA       GLY  88  -1.931  21.714 -13.969
  278   2HA   GLY  88          2HA       GLY  88  -1.896  20.111 -13.231
  279    H    SER  89           H        SER  89  -3.296  20.471 -11.514
  280    HA   SER  89           HA       SER  89  -2.923  22.824  -9.758
  281   1HB   SER  89          1HB       SER  89  -4.994  21.994  -8.753
  282   2HB   SER  89          2HB       SER  89  -5.151  21.965 -10.507
  283    HG   SER  89           HG       SER  89  -5.728  20.001  -9.150
  284    H    ALA  90           H        ALA  90  -2.323  19.350  -9.776
  285    HA   ALA  90           HA       ALA  90  -1.568  19.313  -6.913
  286   1HB   ALA  90          1HB       ALA  90  -2.749  17.531  -8.581
  287   2HB   ALA  90          2HB       ALA  90  -1.069  17.015  -8.736
  288   3HB   ALA  90          3HB       ALA  90  -1.841  17.042  -7.150
  289    H1   FUC  91           H1       FUC  91   8.646  -0.603  -7.361
  290    H2   FUC  91           H2       FUC  91  10.448   1.074  -7.605
  291    H3   FUC  91           H3       FUC  91   9.809   0.862 -10.588
  292    H4   FUC  91           H4       FUC  91   9.195   3.240 -10.349
  293    H5   FUC  91           H5       FUC  91   7.479   1.472 -10.110
  294   1H6   FUC  91          1H6       FUC  91   5.812   2.660  -8.668
  295   2H6   FUC  91          2H6       FUC  91   6.641   3.761  -9.809
  296   3H6   FUC  91          3H6       FUC  91   7.117   3.737  -8.085
  297    HO2  FUC  91           HO2      FUC  91  11.753  -0.529  -8.092
  298    HO3  FUC  91           HO3      FUC  91  11.845   1.476 -10.711
  299    HO4  FUC  91           HO4      FUC  91  10.304   3.973  -8.597
  Start of MODEL    4
    1   1H    SER  45          1H        SER  45   1.344 -18.226  -5.796
    2   2H    SER  45          2H        SER  45   2.796 -17.445  -6.209
    3   3H    SER  45          3H        SER  45   1.391 -16.534  -5.943
    4    HA   SER  45           HA       SER  45   1.765 -16.683  -8.308
    5   1HB   SER  45          1HB       SER  45   3.195 -18.602  -8.317
    6   2HB   SER  45          2HB       SER  45   1.972 -19.604  -7.543
    7    HG   SER  45           HG       SER  45   1.819 -20.100  -9.659
    8    H    ASP  46           H        ASP  46  -0.368 -15.735  -8.007
    9    HA   ASP  46           HA       ASP  46  -2.653 -17.665  -7.938
   10   1HB   ASP  46          1HB       ASP  46  -2.442 -14.673  -7.465
   11   2HB   ASP  46          2HB       ASP  46  -3.930 -15.610  -7.319
   12    H    GLY  47           H        GLY  47  -0.962 -17.036 -10.348
   13   1HA   GLY  47          1HA       GLY  47  -2.263 -17.236 -12.555
   14   2HA   GLY  47          2HA       GLY  47  -3.034 -15.728 -12.064
   15    H    ASP  48           H        ASP  48  -1.975 -15.246 -14.321
   16    HA   ASP  48           HA       ASP  48   0.740 -14.073 -13.813
   17   1HB   ASP  48          1HB       ASP  48  -0.382 -15.681 -16.105
   18   2HB   ASP  48          2HB       ASP  48   0.983 -14.592 -16.361
   19    H    GLN  49           H        GLN  49  -0.080 -11.952 -13.473
   20    HA   GLN  49           HA       GLN  49  -1.626 -10.742 -15.742
   21   1HB   GLN  49          1HB       GLN  49  -1.360  -9.998 -12.810
   22   2HB   GLN  49          2HB       GLN  49  -2.329  -9.111 -13.986
   23   1HG   GLN  49          1HG       GLN  49  -3.989 -10.497 -13.239
   24   2HG   GLN  49          2HG       GLN  49  -3.279 -11.612 -14.407
   25   1HE2  GLN  49          2HE2      GLN  49  -3.764 -11.003 -10.996
   26   2HE2  GLN  49          1HE2      GLN  49  -2.989 -12.404 -10.434
   27    H    CYS  50           H        CYS  50   1.265 -10.500 -13.753
   28    HA   CYS  50           HA       CYS  50   2.055  -7.961 -15.117
   29   1HB   CYS  50          1HB       CYS  50   3.091  -9.445 -12.680
   30   2HB   CYS  50          2HB       CYS  50   3.748  -7.920 -13.269
   31    H    ALA  51           H        ALA  51   2.153 -10.763 -16.305
   32    HA   ALA  51           HA       ALA  51   5.049 -11.332 -16.491
   33   1HB   ALA  51          1HB       ALA  51   3.335 -13.111 -16.276
   34   2HB   ALA  51          2HB       ALA  51   2.603 -12.580 -17.790
   35   3HB   ALA  51          3HB       ALA  51   4.228 -13.268 -17.789
   36    H    SER  52           H        SER  52   2.492  -9.826 -18.383
   37    HA   SER  52           HA       SER  52   4.389  -9.489 -20.680
   38   1HB   SER  52          1HB       SER  52   1.372  -9.216 -20.584
   39   2HB   SER  52          2HB       SER  52   2.380  -9.288 -22.027
   40    HG   SER  52           HG       SER  52   2.484 -11.383 -21.830
   41    H    SER  53           H        SER  53   4.154  -7.819 -18.139
   42    HA   SER  53           HA       SER  53   4.031  -5.550 -17.497
   43   1HB   SER  53          1HB       SER  53   5.296  -4.169 -19.006
   44   2HB   SER  53          2HB       SER  53   5.942  -5.800 -19.143
   45    HG   SER  53           HG       SER  53   4.935  -4.266 -21.047
   46    HA   PRO  54           HA       PRO  54  -0.061  -4.807 -19.537
   47   1HB   PRO  54          1HB       PRO  54  -1.467  -4.397 -17.226
   48   2HB   PRO  54          2HB       PRO  54  -1.215  -6.006 -17.930
   49   1HG   PRO  54          1HG       PRO  54   0.189  -4.692 -15.661
   50   2HG   PRO  54          2HG       PRO  54  -0.299  -6.383 -15.862
   51   1HD   PRO  54          1HD       PRO  54   2.255  -5.495 -16.231
   52   2HD   PRO  54          2HD       PRO  54   1.579  -6.921 -17.048
   53    H    CYS  55           H        CYS  55   1.738  -3.136 -17.015
   54    HA   CYS  55           HA       CYS  55   0.374  -0.560 -17.612
   55   1HB   CYS  55          1HB       CYS  55   2.322  -1.555 -15.520
   56   2HB   CYS  55          2HB       CYS  55   1.849   0.140 -15.636
   57    H    GLN  56           H        GLN  56   2.167   1.347 -17.484
   58    HA   GLN  56           HA       GLN  56   4.406   0.616 -19.349
   59   1HB   GLN  56          1HB       GLN  56   2.418   2.903 -19.403
   60   2HB   GLN  56          2HB       GLN  56   3.871   2.877 -20.402
   61   1HG   GLN  56          1HG       GLN  56   2.286   1.937 -21.837
   62   2HG   GLN  56          2HG       GLN  56   3.018   0.504 -21.115
   63   1HE2  GLN  56          2HE2      GLN  56   0.945  -0.661 -21.510
   64   2HE2  GLN  56          1HE2      GLN  56  -0.379  -0.404 -20.479
   65    H    ASN  57           H        ASN  57   5.620   3.079 -19.521
   66    HA   ASN  57           HA       ASN  57   7.178   4.447 -18.408
   67   1HB   ASN  57          1HB       ASN  57   4.804   4.374 -16.530
   68   2HB   ASN  57          2HB       ASN  57   6.193   5.427 -16.257
   69   1HD2  ASN  57          2HD2      ASN  57   3.163   5.383 -17.689
   70   2HD2  ASN  57          1HD2      ASN  57   3.386   6.623 -18.827
   71    H    GLY  58           H        GLY  58   7.291   1.487 -17.946
   72   1HA   GLY  58          1HA       GLY  58   8.521  -0.011 -16.625
   73   2HA   GLY  58          2HA       GLY  58   9.382   1.405 -16.024
   74    H    GLY  59           H        GLY  59   5.907   0.980 -15.677
   75   1HA   GLY  59          1HA       GLY  59   5.935   1.524 -12.873
   76   2HA   GLY  59          2HA       GLY  59   4.572   0.832 -13.752
   77    H    SER  60           H        SER  60   5.595   0.076 -11.089
   78    HA   SER  60           HA       SER  60   6.824  -2.587 -11.480
   79   1HB   SER  60          1HB       SER  60   5.982  -0.897  -9.113
   80   2HB   SER  60          2HB       SER  60   6.639  -2.521  -8.928
   81    H    CYS  61           H        CYS  61   5.311  -4.037 -12.285
   82    HA   CYS  61           HA       CYS  61   2.524  -4.016 -11.306
   83   1HB   CYS  61          1HB       CYS  61   3.331  -4.352 -13.706
   84   2HB   CYS  61          2HB       CYS  61   3.901  -5.939 -13.195
   85    H    LYS  62           H        LYS  62   2.038  -5.119  -9.462
   86    HA   LYS  62           HA       LYS  62   3.736  -7.451  -8.666
   87   1HB   LYS  62          1HB       LYS  62   3.007  -5.191  -7.319
   88   2HB   LYS  62          2HB       LYS  62   1.723  -6.294  -6.821
   89   1HG   LYS  62          1HG       LYS  62   3.841  -7.938  -6.532
   90   2HG   LYS  62          2HG       LYS  62   4.639  -6.394  -6.239
   91   1HD   LYS  62          1HD       LYS  62   3.014  -5.846  -4.495
   92   2HD   LYS  62          2HD       LYS  62   2.128  -7.336  -4.824
   93   1HE   LYS  62          1HE       LYS  62   4.239  -8.619  -4.253
   94   2HE   LYS  62          2HE       LYS  62   4.935  -7.083  -3.698
   95   1HZ   LYS  62          1HZ       LYS  62   2.329  -8.172  -2.777
   96   2HZ   LYS  62          2HZ       LYS  62   3.782  -8.317  -1.910
   97   3HZ   LYS  62          3HZ       LYS  62   3.109  -6.783  -2.195
   98    H    ASP  63           H        ASP  63   2.775  -9.471  -8.396
   99    HA   ASP  63           HA       ASP  63   0.102  -9.872  -9.556
  100   1HB   ASP  63          1HB       ASP  63   2.521 -11.402  -8.863
  101   2HB   ASP  63          2HB       ASP  63   1.027 -12.289  -8.567
  102    H    GLN  64           H        GLN  64  -1.303  -8.903  -7.970
  103    HA   GLN  64           HA       GLN  64  -1.220  -9.891  -5.182
  104   1HB   GLN  64          1HB       GLN  64  -2.739  -7.829  -6.772
  105   2HB   GLN  64          2HB       GLN  64  -3.283  -8.282  -5.155
  106   1HG   GLN  64          1HG       GLN  64  -0.396  -7.580  -5.599
  107   2HG   GLN  64          2HG       GLN  64  -1.589  -6.291  -5.441
  108   1HE2  GLN  64          2HE2      GLN  64  -1.606  -5.560  -3.314
  109   2HE2  GLN  64          1HE2      GLN  64  -1.496  -6.551  -1.940
  110    H    LEU  65           H        LEU  65  -3.848 -10.081  -4.493
  111    HA   LEU  65           HA       LEU  65  -4.642 -12.670  -5.539
  112   1HB   LEU  65          1HB       LEU  65  -5.676 -10.624  -3.600
  113   2HB   LEU  65          2HB       LEU  65  -6.748 -11.932  -4.102
  114    HG   LEU  65           HG       LEU  65  -4.522 -13.368  -3.584
  115   1HD1  LEU  65          1HD1      LEU  65  -4.406 -10.895  -1.846
  116   2HD1  LEU  65          2HD1      LEU  65  -3.643 -12.415  -1.379
  117   3HD1  LEU  65          3HD1      LEU  65  -3.124 -11.580  -2.843
  118   1HD2  LEU  65          1HD2      LEU  65  -6.878 -12.528  -1.963
  119   2HD2  LEU  65          2HD2      LEU  65  -6.386 -14.141  -2.476
  120   3HD2  LEU  65          3HD2      LEU  65  -5.585 -13.367  -1.108
  121    H    GLN  66           H        GLN  66  -6.440 -13.151  -6.870
  122    HA   GLN  66           HA       GLN  66  -7.947 -12.826  -8.645
  123   1HB   GLN  66          1HB       GLN  66  -8.365 -10.558  -6.733
  124   2HB   GLN  66          2HB       GLN  66  -9.199 -10.494  -8.285
  125   1HG   GLN  66          1HG       GLN  66  -9.291 -13.085  -6.820
  126   2HG   GLN  66          2HG       GLN  66 -10.240 -11.757  -6.151
  127   1HE2  GLN  66          2HE2      GLN  66  -9.738 -13.639  -9.163
  128   2HE2  GLN  66          1HE2      GLN  66 -11.280 -13.326  -9.799
  129    H    SER  67           H        SER  67  -7.274  -9.344  -8.373
  130    HA   SER  67           HA       SER  67  -6.258  -9.378 -11.165
  131   1HB   SER  67          1HB       SER  67  -8.096  -7.855 -10.056
  132   2HB   SER  67          2HB       SER  67  -6.714  -6.947  -9.450
  133    HG   SER  67           HG       SER  67  -7.749  -7.119 -11.977
  134    H    TYR  68           H        TYR  68  -4.721  -6.991 -10.985
  135    HA   TYR  68           HA       TYR  68  -2.442  -7.800  -9.208
  136   1HB   TYR  68          1HB       TYR  68  -0.963  -7.187 -11.115
  137   2HB   TYR  68          2HB       TYR  68  -2.066  -8.493 -11.541
  138    HD1  TYR  68           HD1      TYR  68  -4.021  -8.071 -12.998
  139    HD2  TYR  68           HD2      TYR  68  -1.170  -4.985 -12.107
  140    HE1  TYR  68           HE1      TYR  68  -4.909  -6.712 -14.872
  141    HE2  TYR  68           HE2      TYR  68  -2.057  -3.625 -13.982
  142    HH   TYR  68           HH       TYR  68  -4.854  -3.919 -15.302
  143    H    ILE  69           H        ILE  69  -0.731  -5.747  -9.622
  144    HA   ILE  69           HA       ILE  69  -2.216  -3.186  -9.393
  145    HB   ILE  69           HB       ILE  69  -2.220  -4.272  -7.169
  146   1HG1  ILE  69          1HG1      ILE  69  -0.197  -2.129  -6.790
  147   2HG1  ILE  69          2HG1      ILE  69  -1.635  -1.684  -7.712
  148   1HG2  ILE  69          1HG2      ILE  69   0.799  -4.157  -7.445
  149   2HG2  ILE  69          2HG2      ILE  69  -0.076  -4.618  -5.986
  150   3HG2  ILE  69          3HG2      ILE  69  -0.181  -5.623  -7.432
  151   1HD1  ILE  69          1HD1      ILE  69  -2.798  -3.051  -5.686
  152   2HD1  ILE  69          2HD1      ILE  69  -1.379  -2.423  -4.848
  153   3HD1  ILE  69          3HD1      ILE  69  -2.505  -1.312  -5.628
  154    H    CYS  70           H        CYS  70  -0.938  -1.429 -10.015
  155    HA   CYS  70           HA       CYS  70   1.892  -2.047 -10.794
  156   1HB   CYS  70          1HB       CYS  70  -0.316  -0.347 -11.938
  157   2HB   CYS  70          2HB       CYS  70   1.366  -0.013 -12.354
  158    H    PHE  71           H        PHE  71   3.198  -1.204  -9.195
  159    HA   PHE  71           HA       PHE  71   2.453   1.300  -7.799
  160   1HB   PHE  71          1HB       PHE  71   4.754  -0.669  -7.564
  161   2HB   PHE  71          2HB       PHE  71   4.510   0.702  -6.483
  162    HD1  PHE  71           HD1      PHE  71   2.046   0.883  -5.473
  163    HD2  PHE  71           HD2      PHE  71   3.848  -2.725  -6.949
  164    HE1  PHE  71           HE1      PHE  71   0.461  -0.462  -4.122
  165    HE2  PHE  71           HE2      PHE  71   2.262  -4.070  -5.598
  166    HZ   PHE  71           HZ       PHE  71   0.568  -2.938  -4.184
  167    H    CYS  72           H        CYS  72   2.799   3.000  -9.271
  168    HA   CYS  72           HA       CYS  72   5.441   3.143 -10.659
  169   1HB   CYS  72          1HB       CYS  72   2.806   4.611 -10.989
  170   2HB   CYS  72          2HB       CYS  72   4.234   4.901 -11.983
  171    H    LEU  73           H        LEU  73   5.767   5.810 -10.984
  172    HA   LEU  73           HA       LEU  73   6.462   6.736  -8.265
  173   1HB   LEU  73          1HB       LEU  73   6.970   7.783 -11.071
  174   2HB   LEU  73          2HB       LEU  73   7.660   8.487  -9.611
  175    HG   LEU  73           HG       LEU  73   8.266   5.792  -9.333
  176   1HD1  LEU  73          1HD1      LEU  73   7.508   5.937 -11.939
  177   2HD1  LEU  73          2HD1      LEU  73   9.218   6.338 -12.090
  178   3HD1  LEU  73          3HD1      LEU  73   8.731   4.815 -11.345
  179   1HD2  LEU  73          1HD2      LEU  73   9.675   7.913  -9.003
  180   2HD2  LEU  73          2HD2      LEU  73  10.529   6.495  -9.610
  181   3HD2  LEU  73          3HD2      LEU  73  10.072   7.788 -10.717
  182    HA   PRO  74           HA       PRO  74   3.162   9.627  -7.875
  183   1HB   PRO  74          1HB       PRO  74   4.390  11.874  -6.890
  184   2HB   PRO  74          2HB       PRO  74   4.094  10.418  -5.917
  185   1HG   PRO  74          1HG       PRO  74   6.592  11.298  -7.290
  186   2HG   PRO  74          2HG       PRO  74   6.381  10.584  -5.682
  187   1HD   PRO  74          1HD       PRO  74   7.230   9.142  -7.797
  188   2HD   PRO  74          2HD       PRO  74   6.232   8.438  -6.504
  189    H    ALA  75           H        ALA  75   5.749  10.261 -10.048
  190    HA   ALA  75           HA       ALA  75   4.611  12.767 -11.111
  191   1HB   ALA  75          1HB       ALA  75   7.018  11.031 -11.542
  192   2HB   ALA  75          2HB       ALA  75   6.568  12.179 -12.801
  193   3HB   ALA  75          3HB       ALA  75   6.939  12.754 -11.176
  194    H    PHE  76           H        PHE  76   4.317   9.343 -11.673
  195    HA   PHE  76           HA       PHE  76   3.301   9.741 -14.443
  196   1HB   PHE  76          1HB       PHE  76   4.125   7.422 -12.703
  197   2HB   PHE  76          2HB       PHE  76   3.184   7.142 -14.168
  198    HD1  PHE  76           HD1      PHE  76   4.069   8.606 -16.267
  199    HD2  PHE  76           HD2      PHE  76   6.438   7.305 -12.931
  200    HE1  PHE  76           HE1      PHE  76   6.118   8.814 -17.642
  201    HE2  PHE  76           HE2      PHE  76   8.490   7.514 -14.306
  202    HZ   PHE  76           HZ       PHE  76   8.331   8.269 -16.663
  203    H    GLU  77           H        GLU  77   1.175   8.824 -15.004
  204    HA   GLU  77           HA       GLU  77  -0.701   8.299 -12.761
  205   1HB   GLU  77          1HB       GLU  77  -0.342  10.841 -13.650
  206   2HB   GLU  77          2HB       GLU  77  -1.596  10.301 -14.767
  207   1HG   GLU  77          1HG       GLU  77  -2.971  10.967 -13.055
  208   2HG   GLU  77          2HG       GLU  77  -2.623   9.341 -12.465
  209    H    GLY  78           H        GLY  78  -3.013   7.971 -13.869
  210   1HA   GLY  78          1HA       GLY  78  -4.164   7.240 -15.937
  211   2HA   GLY  78          2HA       GLY  78  -2.640   6.521 -16.458
  212    H    ARG  79           H        ARG  79  -5.178   5.134 -16.191
  213    HA   ARG  79           HA       ARG  79  -5.408   3.608 -13.789
  214   1HB   ARG  79          1HB       ARG  79  -6.970   3.881 -15.839
  215   2HB   ARG  79          2HB       ARG  79  -6.013   2.593 -16.570
  216   1HG   ARG  79          1HG       ARG  79  -7.861   1.514 -15.501
  217   2HG   ARG  79          2HG       ARG  79  -6.465   1.235 -14.460
  218   1HD   ARG  79          1HD       ARG  79  -7.897   2.009 -12.829
  219   2HD   ARG  79          2HD       ARG  79  -7.378   3.595 -13.433
  220    HE   ARG  79           HE       ARG  79  -9.448   2.817 -15.143
  221   1HH1  ARG  79          1HH1      ARG  79  -9.204   2.972 -11.670
  222   2HH1  ARG  79          2HH1      ARG  79 -10.800   3.607 -11.480
  223   1HH2  ARG  79          1HH2      ARG  79 -11.466   3.773 -14.870
  224   2HH2  ARG  79          2HH2      ARG  79 -12.071   4.056 -13.272
  225    H    ASN  80           H        ASN  80  -3.506   3.064 -16.745
  226    HA   ASN  80           HA       ASN  80  -2.176   0.731 -15.406
  227   1HB   ASN  80          1HB       ASN  80  -2.864   1.451 -18.252
  228   2HB   ASN  80          2HB       ASN  80  -1.593   0.276 -17.914
  229   1HD2  ASN  80          2HD2      ASN  80  -2.515  -1.250 -15.866
  230   2HD2  ASN  80          1HD2      ASN  80  -4.014  -1.956 -16.232
  231    H    CYS  81           H        CYS  81  -1.474   3.592 -15.042
  232    HA   CYS  81           HA       CYS  81   0.437   4.978 -15.041
  233   1HB   CYS  81          1HB       CYS  81   1.466   2.154 -15.292
  234   2HB   CYS  81          2HB       CYS  81   2.590   3.511 -15.234
  235    H    GLU  82           H        GLU  82  -0.832   5.191 -17.445
  236    HA   GLU  82           HA       GLU  82   1.360   5.002 -19.487
  237   1HB   GLU  82          1HB       GLU  82  -0.518   4.851 -21.117
  238   2HB   GLU  82          2HB       GLU  82  -0.577   3.554 -19.926
  239   1HG   GLU  82          1HG       GLU  82  -2.313   4.662 -18.682
  240   2HG   GLU  82          2HG       GLU  82  -2.133   6.136 -19.635
  241    H    THR  83           H        THR  83   0.662   7.226 -17.512
  242    HA   THR  83           HA       THR  83   0.416   9.410 -19.544
  243    HB   THR  83           HB       THR  83  -0.973   9.273 -16.849
  244    HG1  THR  83           HG1      THR  83  -2.432   8.200 -17.873
  245   1HG2  THR  83          1HG2      THR  83  -0.295  11.510 -18.151
  246   2HG2  THR  83          2HG2      THR  83  -1.768  11.128 -19.043
  247   3HG2  THR  83          3HG2      THR  83  -1.831  11.361 -17.296
  248    H    HIS  84           H        HIS  84   2.270  10.595 -19.370
  249    HA   HIS  84           HA       HIS  84   3.888  10.553 -16.908
  250   1HB   HIS  84          1HB       HIS  84   4.465  10.602 -19.535
  251   2HB   HIS  84          2HB       HIS  84   4.466  12.338 -19.230
  252    HD1  HIS  84           HD1      HIS  84   6.987  10.252 -19.700
  253    HD2  HIS  84           HD2      HIS  84   5.856  12.174 -16.178
  254    HE1  HIS  84           HE1      HIS  84   9.048  10.323 -18.230
  255    H    LYS  85           H        LYS  85   2.504  11.724 -15.422
  256    HA   LYS  85           HA       LYS  85   1.596  14.442 -16.071
  257   1HB   LYS  85          1HB       LYS  85   1.516  12.564 -13.713
  258   2HB   LYS  85          2HB       LYS  85   1.024  14.248 -13.526
  259   1HG   LYS  85          1HG       LYS  85  -0.106  12.369 -15.620
  260   2HG   LYS  85          2HG       LYS  85  -0.885  12.717 -14.075
  261   1HD   LYS  85          1HD       LYS  85  -0.684  15.204 -14.752
  262   2HD   LYS  85          2HD       LYS  85  -0.374  14.596 -16.379
  263   1HE   LYS  85          1HE       LYS  85  -2.535  13.178 -16.027
  264   2HE   LYS  85          2HE       LYS  85  -2.880  14.330 -14.721
  265   1HZ   LYS  85          1HZ       LYS  85  -2.463  16.143 -16.299
  266   2HZ   LYS  85          2HZ       LYS  85  -2.252  15.011 -17.546
  267   3HZ   LYS  85          3HZ       LYS  85  -3.766  15.168 -16.791
  268    H    ASP  86           H        ASP  86   3.385  15.813 -16.325
  269    HA   ASP  86           HA       ASP  86   5.630  15.748 -14.415
  270   1HB   ASP  86          1HB       ASP  86   4.880  17.075 -16.981
  271   2HB   ASP  86          2HB       ASP  86   6.071  17.898 -15.973
  272    H    ASP  87           H        ASP  87   4.225  16.294 -12.504
  273    HA   ASP  87           HA       ASP  87   4.281  19.154 -11.944
  274   1HB   ASP  87          1HB       ASP  87   1.808  19.358 -11.694
  275   2HB   ASP  87          2HB       ASP  87   2.277  19.004 -13.356
  276    H    GLY  88           H        GLY  88   2.507  19.257  -9.821
  277   1HA   GLY  88          1HA       GLY  88   3.592  17.157  -7.989
  278   2HA   GLY  88          2HA       GLY  88   3.168  18.792  -7.480
  279    H    SER  89           H        SER  89   2.101  15.667  -7.408
  280    HA   SER  89           HA       SER  89  -0.787  16.482  -7.327
  281   1HB   SER  89          1HB       SER  89   0.730  14.142  -8.341
  282   2HB   SER  89          2HB       SER  89  -0.787  13.768  -7.527
  283    HG   SER  89           HG       SER  89  -1.827  15.195  -8.944
  284    H    ALA  90           H        ALA  90   0.772  16.986  -5.054
  285    HA   ALA  90           HA       ALA  90   0.450  14.703  -3.190
  286   1HB   ALA  90          1HB       ALA  90   1.798  17.376  -3.258
  287   2HB   ALA  90          2HB       ALA  90   1.426  16.679  -1.682
  288   3HB   ALA  90          3HB       ALA  90   2.459  15.803  -2.813
  289    H1   FUC  91           H1       FUC  91   8.479  -1.591  -7.780
  290    H2   FUC  91           H2       FUC  91  10.575  -0.280  -7.850
  291    H3   FUC  91           H3       FUC  91   9.624   0.495 -10.652
  292    H4   FUC  91           H4       FUC  91   9.575   2.777  -9.709
  293    H5   FUC  91           H5       FUC  91   7.545   1.366  -9.682
  294   1H6   FUC  91          1H6       FUC  91   7.976   3.113  -7.220
  295   2H6   FUC  91          2H6       FUC  91   6.409   2.323  -7.571
  296   3H6   FUC  91          3H6       FUC  91   7.092   3.508  -8.724
  297    HO2  FUC  91           HO2      FUC  91  11.567  -1.470  -9.597
  298    HO3  FUC  91           HO3      FUC  91  11.962   1.338  -9.231
  299    HO4  FUC  91           HO4      FUC  91  10.030   1.522  -7.176
  Start of MODEL    5
    1   1H    SER  45          1H        SER  45  -0.881 -20.061 -12.235
    2   2H    SER  45          2H        SER  45  -0.452 -21.498 -11.437
    3   3H    SER  45          3H        SER  45  -2.087 -21.142 -11.720
    4    HA   SER  45           HA       SER  45  -1.580 -20.697  -9.411
    5   1HB   SER  45          1HB       SER  45   0.468 -18.761 -10.513
    6   2HB   SER  45          2HB       SER  45   0.283 -19.300  -8.846
    7    HG   SER  45           HG       SER  45   1.705 -20.743  -9.419
    8    H    ASP  46           H        ASP  46  -2.081 -18.497  -8.327
    9    HA   ASP  46           HA       ASP  46  -4.039 -17.050 -10.022
   10   1HB   ASP  46          1HB       ASP  46  -3.365 -17.000  -7.060
   11   2HB   ASP  46          2HB       ASP  46  -4.720 -16.144  -7.796
   12    H    GLY  47           H        GLY  47  -1.445 -16.454 -10.836
   13   1HA   GLY  47          1HA       GLY  47  -1.309 -13.578 -10.237
   14   2HA   GLY  47          2HA       GLY  47   0.109 -14.506  -9.746
   15    H    ASP  48           H        ASP  48  -2.027 -14.469 -12.625
   16    HA   ASP  48           HA       ASP  48   0.447 -14.283 -14.318
   17   1HB   ASP  48          1HB       ASP  48  -2.120 -15.852 -14.738
   18   2HB   ASP  48          2HB       ASP  48  -0.794 -15.763 -15.899
   19    H    GLN  49           H        GLN  49  -1.465 -12.169 -13.326
   20    HA   GLN  49           HA       GLN  49  -2.943 -11.358 -15.755
   21   1HB   GLN  49          1HB       GLN  49  -3.464 -11.199 -13.128
   22   2HB   GLN  49          2HB       GLN  49  -2.696  -9.628 -13.353
   23   1HG   GLN  49          1HG       GLN  49  -5.048  -9.311 -13.739
   24   2HG   GLN  49          2HG       GLN  49  -4.261  -9.265 -15.317
   25   1HE2  GLN  49          2HE2      GLN  49  -5.053 -10.709 -16.869
   26   2HE2  GLN  49          1HE2      GLN  49  -6.063 -12.030 -16.531
   27    H    CYS  50           H        CYS  50   0.057 -10.632 -14.105
   28    HA   CYS  50           HA       CYS  50   0.483  -8.197 -15.781
   29   1HB   CYS  50          1HB       CYS  50   0.766  -8.211 -13.263
   30   2HB   CYS  50          2HB       CYS  50   2.114  -9.327 -13.485
   31    H    ALA  51           H        ALA  51   0.657 -11.082 -16.726
   32    HA   ALA  51           HA       ALA  51   3.508 -11.609 -17.155
   33   1HB   ALA  51          1HB       ALA  51   1.239 -13.102 -17.048
   34   2HB   ALA  51          2HB       ALA  51   1.415 -12.931 -18.795
   35   3HB   ALA  51          3HB       ALA  51   2.716 -13.649 -17.844
   36    H    SER  52           H        SER  52   0.933  -9.951 -18.869
   37    HA   SER  52           HA       SER  52   2.497  -9.862 -21.393
   38   1HB   SER  52          1HB       SER  52  -0.288  -9.473 -20.482
   39   2HB   SER  52          2HB       SER  52   0.222  -8.386 -21.770
   40    HG   SER  52           HG       SER  52   0.706 -10.129 -23.035
   41    H    SER  53           H        SER  53   3.097  -8.316 -18.728
   42    HA   SER  53           HA       SER  53   3.854  -6.163 -18.121
   43   1HB   SER  53          1HB       SER  53   5.318  -6.835 -20.044
   44   2HB   SER  53          2HB       SER  53   4.214  -5.999 -21.131
   45    HG   SER  53           HG       SER  53   5.550  -4.821 -18.917
   46    HA   PRO  54           HA       PRO  54  -0.129  -4.195 -19.564
   47   1HB   PRO  54          1HB       PRO  54  -1.235  -3.828 -17.090
   48   2HB   PRO  54          2HB       PRO  54  -1.460  -5.312 -18.037
   49   1HG   PRO  54          1HG       PRO  54   0.364  -4.784 -15.749
   50   2HG   PRO  54          2HG       PRO  54  -0.552  -6.245 -16.150
   51   1HD   PRO  54          1HD       PRO  54   2.125  -5.943 -16.628
   52   2HD   PRO  54          2HD       PRO  54   1.067  -7.028 -17.556
   53    H    CYS  55           H        CYS  55   1.734  -3.433 -16.604
   54    HA   CYS  55           HA       CYS  55   1.270  -0.545 -16.884
   55   1HB   CYS  55          1HB       CYS  55   2.999  -2.258 -15.071
   56   2HB   CYS  55          2HB       CYS  55   2.768  -0.521 -14.869
   57    H    GLN  56           H        GLN  56   3.025   0.998 -17.229
   58    HA   GLN  56           HA       GLN  56   5.545  -0.081 -18.397
   59   1HB   GLN  56          1HB       GLN  56   5.156   1.271 -20.442
   60   2HB   GLN  56          2HB       GLN  56   3.866   0.098 -20.203
   61   1HG   GLN  56          1HG       GLN  56   2.638   2.005 -18.947
   62   2HG   GLN  56          2HG       GLN  56   3.797   3.075 -19.736
   63   1HE2  GLN  56          1HE2      GLN  56   1.484   0.430 -20.561
   64   2HE2  GLN  56          2HE2      GLN  56   1.065   1.072 -22.076
   65    H    ASN  57           H        ASN  57   6.325   2.492 -19.474
   66    HA   ASN  57           HA       ASN  57   7.451   4.439 -18.775
   67   1HB   ASN  57          1HB       ASN  57   4.875   4.379 -17.215
   68   2HB   ASN  57          2HB       ASN  57   6.026   5.693 -16.975
   69   1HD2  ASN  57          2HD2      ASN  57   3.371   5.993 -18.200
   70   2HD2  ASN  57          1HD2      ASN  57   3.623   6.518 -19.794
   71    H    GLY  58           H        GLY  58   8.509   2.106 -17.630
   72   1HA   GLY  58          1HA       GLY  58   9.903   1.411 -15.877
   73   2HA   GLY  58          2HA       GLY  58   9.998   3.113 -15.428
   74    H    GLY  59           H        GLY  59   6.929   1.426 -15.546
   75   1HA   GLY  59          1HA       GLY  59   6.510   2.009 -12.694
   76   2HA   GLY  59          2HA       GLY  59   5.306   1.358 -13.807
   77    H    SER  60           H        SER  60   6.358   0.458 -11.069
   78    HA   SER  60           HA       SER  60   7.518  -2.197 -11.678
   79   1HB   SER  60          1HB       SER  60   6.690  -0.814  -9.104
   80   2HB   SER  60          2HB       SER  60   7.598  -2.321  -9.197
   81    H    CYS  61           H        CYS  61   6.350  -4.125 -11.518
   82    HA   CYS  61           HA       CYS  61   3.418  -3.872 -10.923
   83   1HB   CYS  61          1HB       CYS  61   4.096  -4.302 -13.296
   84   2HB   CYS  61          2HB       CYS  61   4.872  -5.795 -12.766
   85    H    LYS  62           H        LYS  62   2.434  -5.741  -9.894
   86    HA   LYS  62           HA       LYS  62   4.247  -7.784  -8.722
   87   1HB   LYS  62          1HB       LYS  62   3.691  -5.450  -7.386
   88   2HB   LYS  62          2HB       LYS  62   2.400  -6.498  -6.799
   89   1HG   LYS  62          1HG       LYS  62   3.994  -7.154  -5.297
   90   2HG   LYS  62          2HG       LYS  62   4.499  -8.205  -6.621
   91   1HD   LYS  62          1HD       LYS  62   5.999  -6.290  -7.395
   92   2HD   LYS  62          2HD       LYS  62   5.656  -5.520  -5.844
   93   1HE   LYS  62          1HE       LYS  62   6.726  -8.351  -6.051
   94   2HE   LYS  62          2HE       LYS  62   7.777  -6.931  -5.876
   95   1HZ   LYS  62          1HZ       LYS  62   6.380  -6.276  -3.947
   96   2HZ   LYS  62          2HZ       LYS  62   5.589  -7.776  -4.053
   97   3HZ   LYS  62          3HZ       LYS  62   7.247  -7.717  -3.698
   98    H    ASP  63           H        ASP  63   3.149  -9.726  -8.350
   99    HA   ASP  63           HA       ASP  63   0.452  -9.991  -9.470
  100   1HB   ASP  63          1HB       ASP  63   2.735 -11.656  -8.646
  101   2HB   ASP  63          2HB       ASP  63   1.176 -12.398  -8.296
  102    H    GLN  64           H        GLN  64  -1.440 -10.324  -8.312
  103    HA   GLN  64           HA       GLN  64  -1.295 -10.644  -5.350
  104   1HB   GLN  64          1HB       GLN  64  -2.494  -8.390  -6.955
  105   2HB   GLN  64          2HB       GLN  64  -3.126  -8.781  -5.356
  106   1HG   GLN  64          1HG       GLN  64  -0.563  -8.733  -4.687
  107   2HG   GLN  64          2HG       GLN  64  -0.435  -7.710  -6.119
  108   1HE2  GLN  64          2HE2      GLN  64  -0.650  -7.345  -2.905
  109   2HE2  GLN  64          1HE2      GLN  64  -1.624  -5.959  -2.801
  110    H    LEU  65           H        LEU  65  -3.950 -10.493  -4.746
  111    HA   LEU  65           HA       LEU  65  -5.039 -12.935  -5.908
  112   1HB   LEU  65          1HB       LEU  65  -5.727 -10.932  -3.803
  113   2HB   LEU  65          2HB       LEU  65  -7.041 -11.937  -4.416
  114    HG   LEU  65           HG       LEU  65  -5.167 -13.843  -4.075
  115   1HD1  LEU  65          1HD1      LEU  65  -3.629 -11.979  -3.175
  116   2HD1  LEU  65          2HD1      LEU  65  -4.663 -11.989  -1.746
  117   3HD1  LEU  65          3HD1      LEU  65  -3.772 -13.442  -2.200
  118   1HD2  LEU  65          1HD2      LEU  65  -7.566 -13.280  -2.982
  119   2HD2  LEU  65          2HD2      LEU  65  -6.535 -14.575  -2.375
  120   3HD2  LEU  65          3HD2      LEU  65  -6.547 -13.007  -1.569
  121    H    GLN  66           H        GLN  66  -6.889 -13.107  -7.245
  122    HA   GLN  66           HA       GLN  66  -8.347 -12.490  -8.982
  123   1HB   GLN  66          1HB       GLN  66  -8.470 -10.303  -6.939
  124   2HB   GLN  66          2HB       GLN  66  -9.305 -10.053  -8.472
  125   1HG   GLN  66          1HG       GLN  66 -10.624 -12.045  -8.168
  126   2HG   GLN  66          2HG       GLN  66  -9.664 -12.532  -6.771
  127   1HE2  GLN  66          2HE2      GLN  66 -12.396 -10.658  -7.779
  128   2HE2  GLN  66          1HE2      GLN  66 -12.736  -9.951  -6.274
  129    H    SER  67           H        SER  67  -7.249  -9.140  -8.513
  130    HA   SER  67           HA       SER  67  -6.192  -9.171 -11.299
  131   1HB   SER  67          1HB       SER  67  -7.489  -7.276  -9.449
  132   2HB   SER  67          2HB       SER  67  -6.183  -6.572 -10.397
  133    HG   SER  67           HG       SER  67  -8.565  -7.818 -11.255
  134    H    TYR  68           H        TYR  68  -4.418  -7.067 -11.193
  135    HA   TYR  68           HA       TYR  68  -2.261  -8.092  -9.376
  136   1HB   TYR  68          1HB       TYR  68  -0.736  -7.303 -11.177
  137   2HB   TYR  68          2HB       TYR  68  -1.903  -8.475 -11.786
  138    HD1  TYR  68           HD1      TYR  68  -1.026  -4.875 -11.651
  139    HD2  TYR  68           HD2      TYR  68  -3.601  -7.847 -13.376
  140    HE1  TYR  68           HE1      TYR  68  -1.814  -3.222 -13.324
  141    HE2  TYR  68           HE2      TYR  68  -4.388  -6.196 -15.049
  142    HH   TYR  68           HH       TYR  68  -4.427  -3.325 -14.918
  143    H    ILE  69           H        ILE  69  -0.459  -6.082  -9.498
  144    HA   ILE  69           HA       ILE  69  -1.823  -3.509  -8.930
  145    HB   ILE  69           HB       ILE  69  -1.906  -4.880  -6.873
  146   1HG1  ILE  69          1HG1      ILE  69   0.220  -2.928  -6.178
  147   2HG1  ILE  69          2HG1      ILE  69  -1.160  -2.275  -7.064
  148   1HG2  ILE  69          1HG2      ILE  69   0.118  -6.250  -7.388
  149   2HG2  ILE  69          2HG2      ILE  69   1.123  -4.847  -7.022
  150   3HG2  ILE  69          3HG2      ILE  69   0.141  -5.583  -5.755
  151   1HD1  ILE  69          1HD1      ILE  69  -2.467  -3.820  -5.269
  152   2HD1  ILE  69          2HD1      ILE  69  -1.038  -3.405  -4.321
  153   3HD1  ILE  69          3HD1      ILE  69  -2.068  -2.128  -4.967
  154    H    CYS  70           H        CYS  70  -0.487  -1.779  -9.438
  155    HA   CYS  70           HA       CYS  70   2.382  -2.405 -10.057
  156   1HB   CYS  70          1HB       CYS  70   0.256  -0.769 -11.423
  157   2HB   CYS  70          2HB       CYS  70   1.959  -0.410 -11.701
  158    H    PHE  71           H        PHE  71   3.923  -0.937  -9.313
  159    HA   PHE  71           HA       PHE  71   2.928   1.261  -7.531
  160   1HB   PHE  71          1HB       PHE  71   5.504  -0.351  -7.570
  161   2HB   PHE  71          2HB       PHE  71   5.135   0.924  -6.408
  162    HD1  PHE  71           HD1      PHE  71   2.708   0.658  -5.267
  163    HD2  PHE  71           HD2      PHE  71   5.050  -2.540  -6.924
  164    HE1  PHE  71           HE1      PHE  71   1.473  -0.974  -3.865
  165    HE2  PHE  71           HE2      PHE  71   3.815  -4.171  -5.522
  166    HZ   PHE  71           HZ       PHE  71   2.027  -3.388  -3.993
  167    H    CYS  72           H        CYS  72   2.956   3.081  -8.861
  168    HA   CYS  72           HA       CYS  72   5.398   3.560 -10.531
  169   1HB   CYS  72          1HB       CYS  72   2.566   4.648 -10.636
  170   2HB   CYS  72          2HB       CYS  72   3.852   5.106 -11.751
  171    H    LEU  73           H        LEU  73   5.383   6.218 -10.859
  172    HA   LEU  73           HA       LEU  73   5.999   7.264  -8.149
  173   1HB   LEU  73          1HB       LEU  73   6.535   8.207 -10.984
  174   2HB   LEU  73          2HB       LEU  73   7.096   9.057  -9.544
  175    HG   LEU  73           HG       LEU  73   7.709   6.136  -9.928
  176   1HD1  LEU  73          1HD1      LEU  73   8.432   7.850 -11.866
  177   2HD1  LEU  73          2HD1      LEU  73   9.731   8.180 -10.719
  178   3HD1  LEU  73          3HD1      LEU  73   9.489   6.544 -11.330
  179   1HD2  LEU  73          1HD2      LEU  73   8.057   7.659  -7.781
  180   2HD2  LEU  73          2HD2      LEU  73   9.284   6.484  -8.255
  181   3HD2  LEU  73          3HD2      LEU  73   9.491   8.187  -8.661
  182    HA   PRO  74           HA       PRO  74   2.499   9.930  -7.967
  183   1HB   PRO  74          1HB       PRO  74   3.550  12.298  -7.064
  184   2HB   PRO  74          2HB       PRO  74   3.318  10.876  -6.027
  185   1HG   PRO  74          1HG       PRO  74   5.795  11.839  -7.387
  186   2HG   PRO  74          2HG       PRO  74   5.585  11.210  -5.743
  187   1HD   PRO  74          1HD       PRO  74   6.581   9.692  -7.729
  188   2HD   PRO  74          2HD       PRO  74   5.563   9.008  -6.441
  189    H    ALA  75           H        ALA  75   5.166  10.691 -10.027
  190    HA   ALA  75           HA       ALA  75   3.805  12.973 -11.328
  191   1HB   ALA  75          1HB       ALA  75   6.480  11.735 -11.196
  192   2HB   ALA  75          2HB       ALA  75   6.049  12.351 -12.791
  193   3HB   ALA  75          3HB       ALA  75   6.037  13.430 -11.397
  194    H    PHE  76           H        PHE  76   2.989   9.895 -11.429
  195    HA   PHE  76           HA       PHE  76   2.600   9.875 -14.400
  196   1HB   PHE  76          1HB       PHE  76   3.688   7.785 -12.530
  197   2HB   PHE  76          2HB       PHE  76   2.890   7.298 -14.027
  198    HD1  PHE  76           HD1      PHE  76   5.679   9.315 -12.625
  199    HD2  PHE  76           HD2      PHE  76   3.936   7.586 -16.150
  200    HE1  PHE  76           HE1      PHE  76   7.732   9.855 -13.906
  201    HE2  PHE  76           HE2      PHE  76   5.988   8.125 -17.430
  202    HZ   PHE  76           HZ       PHE  76   7.883   9.263 -16.310
  203    H    GLU  77           H        GLU  77   0.667   8.770 -15.085
  204    HA   GLU  77           HA       GLU  77  -1.245   7.899 -12.979
  205   1HB   GLU  77          1HB       GLU  77  -1.214  10.479 -13.840
  206   2HB   GLU  77          2HB       GLU  77  -2.300   9.765 -15.035
  207   1HG   GLU  77          1HG       GLU  77  -3.318   8.637 -12.810
  208   2HG   GLU  77          2HG       GLU  77  -2.681  10.123 -12.105
  209    H    GLY  78           H        GLY  78  -3.402   7.259 -14.255
  210   1HA   GLY  78          1HA       GLY  78  -4.304   6.365 -16.369
  211   2HA   GLY  78          2HA       GLY  78  -2.656   5.929 -16.823
  212    H    ARG  79           H        ARG  79  -4.948   4.132 -16.681
  213    HA   ARG  79           HA       ARG  79  -5.037   2.535 -14.327
  214   1HB   ARG  79          1HB       ARG  79  -5.791   2.385 -17.165
  215   2HB   ARG  79          2HB       ARG  79  -5.445   0.805 -16.462
  216   1HG   ARG  79          1HG       ARG  79  -7.785   1.238 -16.101
  217   2HG   ARG  79          2HG       ARG  79  -6.978   1.435 -14.544
  218   1HD   ARG  79          1HD       ARG  79  -7.427   3.677 -14.460
  219   2HD   ARG  79          2HD       ARG  79  -7.124   3.894 -16.196
  220    HE   ARG  79           HE       ARG  79  -9.402   3.403 -16.620
  221   1HH1  ARG  79          1HH1      ARG  79  -8.522   2.167 -13.484
  222   2HH1  ARG  79          2HH1      ARG  79 -10.164   2.000 -12.970
  223   1HH2  ARG  79          1HH2      ARG  79 -11.524   3.303 -15.871
  224   2HH2  ARG  79          2HH2      ARG  79 -11.849   2.634 -14.308
  225    H    ASN  80           H        ASN  80  -2.651   2.699 -16.895
  226    HA   ASN  80           HA       ASN  80  -1.110   0.502 -15.552
  227   1HB   ASN  80          1HB       ASN  80  -1.592   1.145 -18.471
  228   2HB   ASN  80          2HB       ASN  80  -0.297   0.070 -17.948
  229   1HD2  ASN  80          2HD2      ASN  80  -1.454  -1.427 -15.930
  230   2HD2  ASN  80          1HD2      ASN  80  -2.806  -2.273 -16.511
  231    H    CYS  81           H        CYS  81  -1.009   3.510 -15.278
  232    HA   CYS  81           HA       CYS  81   0.619   5.222 -15.183
  233   1HB   CYS  81          1HB       CYS  81   2.344   2.725 -15.294
  234   2HB   CYS  81          2HB       CYS  81   2.920   4.317 -14.798
  235    H    GLU  82           H        GLU  82  -0.366   5.080 -17.713
  236    HA   GLU  82           HA       GLU  82   1.935   4.843 -19.590
  237   1HB   GLU  82          1HB       GLU  82   0.132   4.963 -21.296
  238   2HB   GLU  82          2HB       GLU  82  -0.174   3.694 -20.113
  239   1HG   GLU  82          1HG       GLU  82  -1.859   4.941 -19.030
  240   2HG   GLU  82          2HG       GLU  82  -1.317   6.462 -19.742
  241    H    THR  83           H        THR  83  -0.103   7.252 -18.053
  242    HA   THR  83           HA       THR  83   0.916   9.362 -19.903
  243    HB   THR  83           HB       THR  83  -1.506   9.144 -19.506
  244    HG1  THR  83           HG1      THR  83  -1.268  11.204 -19.812
  245   1HG2  THR  83          1HG2      THR  83  -0.608   9.103 -16.687
  246   2HG2  THR  83          2HG2      THR  83  -2.048  10.067 -17.008
  247   3HG2  THR  83          3HG2      THR  83  -2.018   8.356 -17.433
  248    H    HIS  84           H        HIS  84   1.490  11.477 -18.791
  249    HA   HIS  84           HA       HIS  84   3.126  10.944 -16.331
  250   1HB   HIS  84          1HB       HIS  84   3.362  12.824 -18.693
  251   2HB   HIS  84          2HB       HIS  84   4.346  13.016 -17.243
  252    HD1  HIS  84           HD1      HIS  84   3.428  10.090 -19.534
  253    HD2  HIS  84           HD2      HIS  84   6.726  11.668 -17.529
  254    HE1  HIS  84           HE1      HIS  84   5.391   8.590 -20.092
  255    H    LYS  85           H        LYS  85   3.207  12.766 -14.766
  256    HA   LYS  85           HA       LYS  85   0.731  14.467 -14.842
  257   1HB   LYS  85          1HB       LYS  85   2.234  13.180 -12.541
  258   2HB   LYS  85          2HB       LYS  85   0.866  14.272 -12.341
  259   1HG   LYS  85          1HG       LYS  85  -0.388  12.653 -13.935
  260   2HG   LYS  85          2HG       LYS  85   0.902  11.512 -13.549
  261   1HD   LYS  85          1HD       LYS  85  -0.873  11.110 -11.977
  262   2HD   LYS  85          2HD       LYS  85   0.409  11.944 -11.099
  263   1HE   LYS  85          1HE       LYS  85  -1.254  13.372 -10.446
  264   2HE   LYS  85          2HE       LYS  85  -1.103  14.050 -12.079
  265   1HZ   LYS  85          1HZ       LYS  85  -2.635  12.237 -12.821
  266   2HZ   LYS  85          2HZ       LYS  85  -2.924  11.882 -11.188
  267   3HZ   LYS  85          3HZ       LYS  85  -3.356  13.401 -11.815
  268    H    ASP  86           H        ASP  86   1.241  16.599 -15.080
  269    HA   ASP  86           HA       ASP  86   3.890  17.563 -14.053
  270   1HB   ASP  86          1HB       ASP  86   3.653  19.274 -15.849
  271   2HB   ASP  86          2HB       ASP  86   3.611  17.635 -16.494
  272    H    ASP  87           H        ASP  87   1.849  17.428 -12.181
  273    HA   ASP  87           HA       ASP  87   0.425  20.009 -12.059
  274   1HB   ASP  87          1HB       ASP  87   0.539  17.419 -10.564
  275   2HB   ASP  87          2HB       ASP  87  -0.090  18.832  -9.715
  276    H    GLY  88           H        GLY  88   2.239  21.492 -11.885
  277   1HA   GLY  88          1HA       GLY  88   3.331  22.953 -10.308
  278   2HA   GLY  88          2HA       GLY  88   3.344  21.635  -9.135
  279    H    SER  89           H        SER  89   5.032  20.109  -9.204
  280    HA   SER  89           HA       SER  89   7.253  19.397  -9.579
  281   1HB   SER  89          1HB       SER  89   5.792  19.180 -11.855
  282   2HB   SER  89          2HB       SER  89   7.073  20.248 -12.421
  283    HG   SER  89           HG       SER  89   7.198  17.665 -12.153
  284    H    ALA  90           H        ALA  90   8.408  21.018  -8.421
  285    HA   ALA  90           HA       ALA  90   9.125  23.544  -9.794
  286   1HB   ALA  90          1HB       ALA  90   8.411  23.319  -7.369
  287   2HB   ALA  90          2HB       ALA  90   9.932  22.480  -7.073
  288   3HB   ALA  90          3HB       ALA  90   9.942  24.161  -7.605
  289    H1   FUC  91           H1       FUC  91   9.294  -1.157  -7.976
  290    H2   FUC  91           H2       FUC  91  11.160   0.468  -8.015
  291    H3   FUC  91           H3       FUC  91   9.975   1.285 -10.713
  292    H4   FUC  91           H4       FUC  91   9.620   3.457  -9.594
  293    H5   FUC  91           H5       FUC  91   7.833   1.746  -9.608
  294   1H6   FUC  91          1H6       FUC  91   7.067   3.695  -8.478
  295   2H6   FUC  91          2H6       FUC  91   8.111   3.387  -7.058
  296   3H6   FUC  91          3H6       FUC  91   6.684   2.351  -7.359
  297    HO2  FUC  91           HO2      FUC  91  11.649  -1.446  -9.070
  298    HO3  FUC  91           HO3      FUC  91  11.983   1.899 -11.041
  299    HO4  FUC  91           HO4      FUC  91  11.137   3.479  -7.972
  Start of MODEL    6
    1   1H    SER  45          1H        SER  45   1.991 -14.930  -7.748
    2   2H    SER  45          2H        SER  45   1.975 -14.597  -6.083
    3   3H    SER  45          3H        SER  45   3.389 -15.180  -6.815
    4    HA   SER  45           HA       SER  45   2.452 -17.320  -7.172
    5   1HB   SER  45          1HB       SER  45   1.889 -17.831  -4.768
    6   2HB   SER  45          2HB       SER  45   3.344 -16.858  -4.960
    7    HG   SER  45           HG       SER  45   0.762 -16.093  -4.123
    8    H    ASP  46           H        ASP  46   0.036 -15.103  -5.737
    9    HA   ASP  46           HA       ASP  46  -2.183 -16.933  -6.383
   10   1HB   ASP  46          1HB       ASP  46  -1.782 -14.288  -5.010
   11   2HB   ASP  46          2HB       ASP  46  -3.410 -14.788  -5.467
   12    H    GLY  47           H        GLY  47  -2.352 -17.005  -8.661
   13   1HA   GLY  47          1HA       GLY  47  -3.096 -16.270 -10.763
   14   2HA   GLY  47          2HA       GLY  47  -3.733 -14.838  -9.950
   15    H    ASP  48           H        ASP  48  -1.626 -15.735 -12.292
   16    HA   ASP  48           HA       ASP  48   0.315 -13.525 -11.711
   17   1HB   ASP  48          1HB       ASP  48   0.434 -15.955 -13.530
   18   2HB   ASP  48          2HB       ASP  48   1.729 -14.771 -13.350
   19    H    GLN  49           H        GLN  49  -1.213 -11.891 -12.522
   20    HA   GLN  49           HA       GLN  49  -1.926 -12.056 -15.408
   21   1HB   GLN  49          1HB       GLN  49  -2.673 -10.217 -13.115
   22   2HB   GLN  49          2HB       GLN  49  -3.271 -10.013 -14.762
   23   1HG   GLN  49          1HG       GLN  49  -3.564 -12.641 -13.310
   24   2HG   GLN  49          2HG       GLN  49  -4.752 -11.351 -13.115
   25   1HE2  GLN  49          2HE2      GLN  49  -6.379 -12.690 -14.251
   26   2HE2  GLN  49          1HE2      GLN  49  -6.315 -12.873 -15.937
   27    H    CYS  50           H        CYS  50   0.876 -11.557 -14.404
   28    HA   CYS  50           HA       CYS  50   1.313  -8.929 -15.777
   29   1HB   CYS  50          1HB       CYS  50   1.468  -8.835 -13.267
   30   2HB   CYS  50          2HB       CYS  50   2.784 -10.005 -13.351
   31    H    ALA  51           H        ALA  51   1.455 -11.453 -17.060
   32    HA   ALA  51           HA       ALA  51   4.225 -12.411 -17.093
   33   1HB   ALA  51          1HB       ALA  51   2.230 -13.843 -17.457
   34   2HB   ALA  51          2HB       ALA  51   1.852 -12.926 -18.915
   35   3HB   ALA  51          3HB       ALA  51   3.323 -13.898 -18.841
   36    H    SER  52           H        SER  52   2.291 -10.101 -18.903
   37    HA   SER  52           HA       SER  52   4.569  -9.716 -20.819
   38   1HB   SER  52          1HB       SER  52   2.526 -10.453 -21.890
   39   2HB   SER  52          2HB       SER  52   1.581  -9.247 -21.023
   40    HG   SER  52           HG       SER  52   2.016  -7.989 -22.639
   41    H    SER  53           H        SER  53   4.047  -8.476 -18.047
   42    HA   SER  53           HA       SER  53   4.195  -6.345 -17.032
   43   1HB   SER  53          1HB       SER  53   6.277  -6.465 -18.352
   44   2HB   SER  53          2HB       SER  53   5.433  -5.809 -19.752
   45    HG   SER  53           HG       SER  53   6.082  -3.980 -18.912
   46    HA   PRO  54           HA       PRO  54   0.482  -4.727 -19.254
   47   1HB   PRO  54          1HB       PRO  54  -1.056  -4.367 -17.021
   48   2HB   PRO  54          2HB       PRO  54  -0.964  -5.911 -17.891
   49   1HG   PRO  54          1HG       PRO  54   0.386  -5.072 -15.379
   50   2HG   PRO  54          2HG       PRO  54  -0.295  -6.643 -15.825
   51   1HD   PRO  54          1HD       PRO  54   2.378  -6.070 -15.884
   52   2HD   PRO  54          2HD       PRO  54   1.607  -7.307 -16.899
   53    H    CYS  55           H        CYS  55   2.225  -3.628 -16.392
   54    HA   CYS  55           HA       CYS  55   1.211  -0.954 -16.231
   55   1HB   CYS  55          1HB       CYS  55   3.982  -2.029 -15.592
   56   2HB   CYS  55          2HB       CYS  55   3.268  -0.560 -14.935
   57    H    GLN  56           H        GLN  56   2.902   0.957 -16.668
   58    HA   GLN  56           HA       GLN  56   4.316   0.577 -19.264
   59   1HB   GLN  56          1HB       GLN  56   1.733   1.418 -19.187
   60   2HB   GLN  56          2HB       GLN  56   2.565   2.966 -19.033
   61   1HG   GLN  56          1HG       GLN  56   3.412   2.877 -21.154
   62   2HG   GLN  56          2HG       GLN  56   3.651   1.130 -21.094
   63   1HE2  GLN  56          2HE2      GLN  56   1.377  -0.112 -20.967
   64   2HE2  GLN  56          1HE2      GLN  56   0.197   0.453 -22.049
   65    H    ASN  57           H        ASN  57   5.460   2.741 -19.842
   66    HA   ASN  57           HA       ASN  57   7.103   4.324 -19.239
   67   1HB   ASN  57          1HB       ASN  57   4.808   4.723 -17.328
   68   2HB   ASN  57          2HB       ASN  57   6.250   5.732 -17.202
   69   1HD2  ASN  57          2HD2      ASN  57   3.289   5.329 -18.908
   70   2HD2  ASN  57          1HD2      ASN  57   3.578   6.470 -20.130
   71    H    GLY  58           H        GLY  58   7.617   1.681 -18.273
   72   1HA   GLY  58          1HA       GLY  58   9.040   0.579 -16.771
   73   2HA   GLY  58          2HA       GLY  58   9.645   2.176 -16.332
   74    H    GLY  59           H        GLY  59   6.256   1.341 -15.994
   75   1HA   GLY  59          1HA       GLY  59   6.202   2.111 -13.225
   76   2HA   GLY  59          2HA       GLY  59   4.893   1.294 -14.082
   77    H    SER  60           H        SER  60   5.519   0.605 -11.435
   78    HA   SER  60           HA       SER  60   7.107  -1.909 -11.583
   79   1HB   SER  60          1HB       SER  60   6.005  -0.113  -9.433
   80   2HB   SER  60          2HB       SER  60   6.528  -1.745  -9.032
   81    H    CYS  61           H        CYS  61   5.951  -3.696 -12.170
   82    HA   CYS  61           HA       CYS  61   3.031  -3.829 -11.724
   83   1HB   CYS  61          1HB       CYS  61   4.138  -4.478 -13.858
   84   2HB   CYS  61          2HB       CYS  61   5.010  -5.747 -12.999
   85    H    LYS  62           H        LYS  62   2.040  -5.319 -10.333
   86    HA   LYS  62           HA       LYS  62   3.783  -7.129  -8.720
   87   1HB   LYS  62          1HB       LYS  62   2.927  -4.653  -7.852
   88   2HB   LYS  62          2HB       LYS  62   1.664  -5.713  -7.228
   89   1HG   LYS  62          1HG       LYS  62   3.797  -7.188  -6.542
   90   2HG   LYS  62          2HG       LYS  62   4.559  -5.597  -6.526
   91   1HD   LYS  62          1HD       LYS  62   3.746  -5.582  -4.379
   92   2HD   LYS  62          2HD       LYS  62   2.297  -4.995  -5.197
   93   1HE   LYS  62          1HE       LYS  62   1.402  -7.288  -5.304
   94   2HE   LYS  62          2HE       LYS  62   2.868  -7.903  -4.513
   95   1HZ   LYS  62          1HZ       LYS  62   2.421  -6.278  -2.699
   96   2HZ   LYS  62          2HZ       LYS  62   0.911  -5.961  -3.410
   97   3HZ   LYS  62          3HZ       LYS  62   1.259  -7.512  -2.818
   98    H    ASP  63           H        ASP  63   2.864  -9.133  -8.737
   99    HA   ASP  63           HA       ASP  63   0.224  -9.630  -9.823
  100   1HB   ASP  63          1HB       ASP  63   0.786 -11.974  -9.185
  101   2HB   ASP  63          2HB       ASP  63   2.116 -11.186 -10.033
  102    H    GLN  64           H        GLN  64  -1.657  -9.341  -8.709
  103    HA   GLN  64           HA       GLN  64  -1.625  -9.703  -5.728
  104   1HB   GLN  64          1HB       GLN  64  -2.962  -7.742  -7.588
  105   2HB   GLN  64          2HB       GLN  64  -3.634  -8.046  -5.986
  106   1HG   GLN  64          1HG       GLN  64  -0.734  -7.307  -6.439
  107   2HG   GLN  64          2HG       GLN  64  -1.990  -6.113  -6.112
  108   1HE2  GLN  64          2HE2      GLN  64  -3.073  -6.216  -3.978
  109   2HE2  GLN  64          1HE2      GLN  64  -2.329  -7.011  -2.677
  110    H    LEU  65           H        LEU  65  -4.242  -9.839  -5.155
  111    HA   LEU  65           HA       LEU  65  -5.072 -12.461  -5.927
  112   1HB   LEU  65          1HB       LEU  65  -6.174 -10.102  -4.486
  113   2HB   LEU  65          2HB       LEU  65  -7.351 -11.289  -5.047
  114    HG   LEU  65           HG       LEU  65  -5.713 -13.037  -4.000
  115   1HD1  LEU  65          1HD1      LEU  65  -4.954 -10.503  -2.511
  116   2HD1  LEU  65          2HD1      LEU  65  -4.463 -12.138  -2.067
  117   3HD1  LEU  65          3HD1      LEU  65  -3.893 -11.426  -3.576
  118   1HD2  LEU  65          1HD2      LEU  65  -8.049 -12.074  -3.194
  119   2HD2  LEU  65          2HD2      LEU  65  -7.083 -13.085  -2.118
  120   3HD2  LEU  65          3HD2      LEU  65  -7.064 -11.331  -1.934
  121    H    GLN  66           H        GLN  66  -6.374 -13.175  -7.594
  122    HA   GLN  66           HA       GLN  66  -7.531 -13.153  -9.641
  123   1HB   GLN  66          1HB       GLN  66  -8.527 -10.808  -8.066
  124   2HB   GLN  66          2HB       GLN  66  -9.054 -10.966  -9.741
  125   1HG   GLN  66          1HG       GLN  66 -10.197 -12.944  -9.343
  126   2HG   GLN  66          2HG       GLN  66  -9.174 -13.379  -7.972
  127   1HE2  GLN  66          2HE2      GLN  66 -10.892 -10.274  -8.543
  128   2HE2  GLN  66          1HE2      GLN  66 -11.844 -10.368  -7.141
  129    H    SER  67           H        SER  67  -7.266  -9.607  -9.578
  130    HA   SER  67           HA       SER  67  -5.794  -9.706 -12.145
  131   1HB   SER  67          1HB       SER  67  -6.752  -7.299 -10.582
  132   2HB   SER  67          2HB       SER  67  -6.497  -7.429 -12.320
  133    HG   SER  67           HG       SER  67  -8.724  -7.813 -11.042
  134    H    TYR  68           H        TYR  68  -4.447  -7.203 -11.848
  135    HA   TYR  68           HA       TYR  68  -2.414  -7.797  -9.725
  136   1HB   TYR  68          1HB       TYR  68  -0.703  -7.165 -11.420
  137   2HB   TYR  68          2HB       TYR  68  -1.651  -8.557 -11.939
  138    HD1  TYR  68           HD1      TYR  68  -3.408  -8.310 -13.673
  139    HD2  TYR  68           HD2      TYR  68  -0.864  -5.035 -12.555
  140    HE1  TYR  68           HE1      TYR  68  -4.075  -7.092 -15.726
  141    HE2  TYR  68           HE2      TYR  68  -1.533  -3.816 -14.608
  142    HH   TYR  68           HH       TYR  68  -3.221  -5.321 -17.171
  143    H    ILE  69           H        ILE  69  -0.777  -5.649 -10.039
  144    HA   ILE  69           HA       ILE  69  -2.471  -3.202 -10.054
  145    HB   ILE  69           HB       ILE  69  -2.540  -4.215  -7.798
  146   1HG1  ILE  69          1HG1      ILE  69  -0.731  -1.907  -7.342
  147   2HG1  ILE  69          2HG1      ILE  69  -2.113  -1.601  -8.395
  148   1HG2  ILE  69          1HG2      ILE  69  -0.311  -5.354  -7.982
  149   2HG2  ILE  69          2HG2      ILE  69   0.460  -3.782  -7.761
  150   3HG2  ILE  69          3HG2      ILE  69  -0.527  -4.469  -6.471
  151   1HD1  ILE  69          1HD1      ILE  69  -2.732  -3.154  -5.956
  152   2HD1  ILE  69          2HD1      ILE  69  -2.227  -1.487  -5.670
  153   3HD1  ILE  69          3HD1      ILE  69  -3.618  -1.823  -6.701
  154    H    CYS  70           H        CYS  70  -1.344  -1.480 -10.892
  155    HA   CYS  70           HA       CYS  70   1.571  -1.843 -11.435
  156   1HB   CYS  70          1HB       CYS  70  -0.692  -0.236 -12.616
  157   2HB   CYS  70          2HB       CYS  70   0.983   0.168 -12.986
  158    H    PHE  71           H        PHE  71   2.896  -0.815  -9.988
  159    HA   PHE  71           HA       PHE  71   1.901   1.470  -8.391
  160   1HB   PHE  71          1HB       PHE  71   4.309  -0.343  -8.426
  161   2HB   PHE  71          2HB       PHE  71   4.322   1.130  -7.456
  162    HD1  PHE  71           HD1      PHE  71   2.755   1.423  -5.580
  163    HD2  PHE  71           HD2      PHE  71   2.854  -2.207  -7.873
  164    HE1  PHE  71           HE1      PHE  71   1.433   0.277  -3.822
  165    HE2  PHE  71           HE2      PHE  71   1.532  -3.354  -6.115
  166    HZ   PHE  71           HZ       PHE  71   0.822  -2.112  -4.090
  167    H    CYS  72           H        CYS  72   1.808   3.173  -9.941
  168    HA   CYS  72           HA       CYS  72   3.956   3.783 -11.783
  169   1HB   CYS  72          1HB       CYS  72   1.742   5.539 -10.669
  170   2HB   CYS  72          2HB       CYS  72   2.645   5.830 -12.151
  171    H    LEU  73           H        LEU  73   4.933   6.111 -11.657
  172    HA   LEU  73           HA       LEU  73   6.457   6.311  -9.150
  173   1HB   LEU  73          1HB       LEU  73   6.445   7.475 -11.906
  174   2HB   LEU  73          2HB       LEU  73   7.277   8.385 -10.648
  175    HG   LEU  73           HG       LEU  73   7.770   5.438 -11.112
  176   1HD1  LEU  73          1HD1      LEU  73   8.972   7.862 -12.428
  177   2HD1  LEU  73          2HD1      LEU  73   9.948   6.414 -12.180
  178   3HD1  LEU  73          3HD1      LEU  73   8.483   6.333 -13.159
  179   1HD2  LEU  73          1HD2      LEU  73   9.342   7.634  -9.726
  180   2HD2  LEU  73          2HD2      LEU  73   8.443   6.345  -8.925
  181   3HD2  LEU  73          3HD2      LEU  73   9.867   5.958  -9.891
  182    HA   PRO  74           HA       PRO  74   4.177   9.573  -7.255
  183   1HB   PRO  74          1HB       PRO  74   6.033  11.510  -6.670
  184   2HB   PRO  74          2HB       PRO  74   5.895   9.988  -5.766
  185   1HG   PRO  74          1HG       PRO  74   7.786  10.717  -7.958
  186   2HG   PRO  74          2HG       PRO  74   8.098   9.854  -6.443
  187   1HD   PRO  74          1HD       PRO  74   7.841   8.557  -8.780
  188   2HD   PRO  74          2HD       PRO  74   7.266   7.853  -7.253
  189    H    ALA  75           H        ALA  75   6.126  10.365 -10.048
  190    HA   ALA  75           HA       ALA  75   4.512  12.833 -10.551
  191   1HB   ALA  75          1HB       ALA  75   7.159  12.530 -10.560
  192   2HB   ALA  75          2HB       ALA  75   6.858  11.957 -12.200
  193   3HB   ALA  75          3HB       ALA  75   6.371  13.587 -11.731
  194    H    PHE  76           H        PHE  76   3.665   9.919 -10.975
  195    HA   PHE  76           HA       PHE  76   2.926  10.197 -13.867
  196   1HB   PHE  76          1HB       PHE  76   4.166   7.907 -12.347
  197   2HB   PHE  76          2HB       PHE  76   3.198   7.596 -13.789
  198    HD1  PHE  76           HD1      PHE  76   6.114   9.557 -12.528
  199    HD2  PHE  76           HD2      PHE  76   4.110   7.902 -15.947
  200    HE1  PHE  76           HE1      PHE  76   8.051  10.156 -13.953
  201    HE2  PHE  76           HE2      PHE  76   6.048   8.500 -17.373
  202    HZ   PHE  76           HZ       PHE  76   8.019   9.627 -16.376
  203    H    GLU  77           H        GLU  77   0.949   8.928 -14.397
  204    HA   GLU  77           HA       GLU  77  -0.710   8.031 -12.103
  205   1HB   GLU  77          1HB       GLU  77  -0.805  10.631 -12.925
  206   2HB   GLU  77          2HB       GLU  77  -2.033   9.917 -13.971
  207   1HG   GLU  77          1HG       GLU  77  -3.100  10.662 -11.915
  208   2HG   GLU  77          2HG       GLU  77  -3.095   8.898 -11.944
  209    H    GLY  78           H        GLY  78  -2.933   7.256 -13.065
  210   1HA   GLY  78          1HA       GLY  78  -4.109   6.387 -15.045
  211   2HA   GLY  78          2HA       GLY  78  -2.536   6.120 -15.798
  212    H    ARG  79           H        ARG  79  -4.632   4.135 -15.400
  213    HA   ARG  79           HA       ARG  79  -4.133   2.404 -13.175
  214   1HB   ARG  79          1HB       ARG  79  -5.298   2.164 -15.936
  215   2HB   ARG  79          2HB       ARG  79  -5.068   0.706 -14.970
  216   1HG   ARG  79          1HG       ARG  79  -7.291   1.487 -14.507
  217   2HG   ARG  79          2HG       ARG  79  -6.311   1.884 -13.095
  218   1HD   ARG  79          1HD       ARG  79  -6.169   4.187 -13.706
  219   2HD   ARG  79          2HD       ARG  79  -6.758   3.861 -15.349
  220    HE   ARG  79           HE       ARG  79  -8.819   2.907 -13.852
  221   1HH1  ARG  79          1HH1      ARG  79  -7.172   5.973 -14.022
  222   2HH1  ARG  79          2HH1      ARG  79  -8.444   6.823 -13.216
  223   1HH2  ARG  79          1HH2      ARG  79 -10.393   4.015 -12.684
  224   2HH2  ARG  79          2HH2      ARG  79 -10.252   5.728 -12.467
  225    H    ASN  80           H        ASN  80  -2.760   2.452 -16.472
  226    HA   ASN  80           HA       ASN  80  -0.759   0.389 -15.646
  227   1HB   ASN  80          1HB       ASN  80  -1.648   1.477 -18.339
  228   2HB   ASN  80          2HB       ASN  80  -0.452   0.198 -18.120
  229   1HD2  ASN  80          2HD2      ASN  80  -1.599  -1.368 -16.115
  230   2HD2  ASN  80          1HD2      ASN  80  -3.086  -1.991 -16.643
  231    H    CYS  81           H        CYS  81  -0.692   3.341 -14.955
  232    HA   CYS  81           HA       CYS  81   0.897   5.085 -14.873
  233   1HB   CYS  81          1HB       CYS  81   2.716   2.852 -15.842
  234   2HB   CYS  81          2HB       CYS  81   3.225   4.318 -15.014
  235    H    GLU  82           H        GLU  82  -0.628   5.112 -17.210
  236    HA   GLU  82           HA       GLU  82   1.368   5.709 -19.368
  237   1HB   GLU  82          1HB       GLU  82  -0.562   5.288 -20.884
  238   2HB   GLU  82          2HB       GLU  82  -0.223   3.901 -19.853
  239   1HG   GLU  82          1HG       GLU  82  -2.064   4.391 -18.415
  240   2HG   GLU  82          2HG       GLU  82  -2.267   6.001 -19.105
  241    H    THR  83           H        THR  83   0.335   7.497 -17.098
  242    HA   THR  83           HA       THR  83  -0.612   9.738 -18.849
  243    HB   THR  83           HB       THR  83  -1.534   9.143 -16.024
  244    HG1  THR  83           HG1      THR  83  -3.381   8.308 -17.010
  245   1HG2  THR  83          1HG2      THR  83  -2.450  11.033 -18.200
  246   2HG2  THR  83          2HG2      THR  83  -3.415  10.673 -16.769
  247   3HG2  THR  83          3HG2      THR  83  -1.842  11.452 -16.598
  248    H    HIS  84           H        HIS  84   1.652  10.451 -18.822
  249    HA   HIS  84           HA       HIS  84   3.190  10.929 -16.459
  250   1HB   HIS  84          1HB       HIS  84   3.653  11.004 -19.092
  251   2HB   HIS  84          2HB       HIS  84   3.381  12.729 -18.844
  252    HD1  HIS  84           HD1      HIS  84   6.155  10.822 -19.229
  253    HD2  HIS  84           HD2      HIS  84   4.939  13.157 -15.997
  254    HE1  HIS  84           HE1      HIS  84   8.245  11.351 -17.901
  255    H    LYS  85           H        LYS  85   2.697  12.327 -14.825
  256    HA   LYS  85           HA       LYS  85   0.726  14.478 -15.202
  257   1HB   LYS  85          1HB       LYS  85   2.391  13.450 -12.886
  258   2HB   LYS  85          2HB       LYS  85   1.217  14.756 -12.727
  259   1HG   LYS  85          1HG       LYS  85  -0.322  12.932 -13.992
  260   2HG   LYS  85          2HG       LYS  85   0.767  11.846 -13.127
  261   1HD   LYS  85          1HD       LYS  85  -1.153  12.307 -11.710
  262   2HD   LYS  85          2HD       LYS  85   0.260  13.105 -11.020
  263   1HE   LYS  85          1HE       LYS  85  -0.579  15.200 -11.412
  264   2HE   LYS  85          2HE       LYS  85  -1.286  14.727 -12.970
  265   1HZ   LYS  85          1HZ       LYS  85  -2.312  13.814 -10.336
  266   2HZ   LYS  85          2HZ       LYS  85  -2.964  15.125 -11.198
  267   3HZ   LYS  85          3HZ       LYS  85  -3.029  13.564 -11.857
  268    H    ASP  86           H        ASP  86   1.777  16.026 -16.556
  269    HA   ASP  86           HA       ASP  86   3.893  17.622 -15.195
  270   1HB   ASP  86          1HB       ASP  86   4.900  15.877 -16.720
  271   2HB   ASP  86          2HB       ASP  86   4.064  16.655 -18.066
  272    H    ASP  87           H        ASP  87   1.940  19.052 -14.984
  273    HA   ASP  87           HA       ASP  87   0.851  20.228 -17.466
  274   1HB   ASP  87          1HB       ASP  87   0.401  20.602 -14.493
  275   2HB   ASP  87          2HB       ASP  87  -0.450  21.553 -15.711
  276    H    GLY  88           H        GLY  88   2.226  21.679 -18.456
  277   1HA   GLY  88          1HA       GLY  88   3.843  23.513 -16.757
  278   2HA   GLY  88          2HA       GLY  88   4.117  23.207 -18.473
  279    H    SER  89           H        SER  89   3.484  24.835 -19.783
  280    HA   SER  89           HA       SER  89   2.386  26.782 -20.546
  281   1HB   SER  89          1HB       SER  89   0.171  25.398 -19.002
  282   2HB   SER  89          2HB       SER  89  -0.079  26.686 -20.178
  283    HG   SER  89           HG       SER  89   0.732  24.031 -20.543
  284    H    ALA  90           H        ALA  90   3.649  28.254 -19.209
  285    HA   ALA  90           HA       ALA  90   3.934  29.945 -17.584
  286   1HB   ALA  90          1HB       ALA  90   1.698  30.415 -18.832
  287   2HB   ALA  90          2HB       ALA  90   0.928  29.869 -17.342
  288   3HB   ALA  90          3HB       ALA  90   1.997  31.271 -17.318
  289    H1   FUC  91           H1       FUC  91   8.383  -0.760  -7.736
  290    H2   FUC  91           H2       FUC  91  10.330   0.766  -7.707
  291    H3   FUC  91           H3       FUC  91   9.604   1.236 -10.640
  292    H4   FUC  91           H4       FUC  91   9.224   3.557  -9.894
  293    H5   FUC  91           H5       FUC  91   7.355   1.936  -9.949
  294   1H6   FUC  91          1H6       FUC  91   7.245   3.736  -7.476
  295   2H6   FUC  91          2H6       FUC  91   5.836   2.946  -8.247
  296   3H6   FUC  91          3H6       FUC  91   6.764   4.188  -9.140
  297    HO2  FUC  91           HO2      FUC  91  10.377  -0.962  -9.997
  298    HO3  FUC  91           HO3      FUC  91  11.535   2.166 -10.782
  299    HO4  FUC  91           HO4      FUC  91   9.514   2.551  -7.231
  Start of MODEL    7
    1   1H    SER  45          1H        SER  45   1.658 -19.734  -5.938
    2   2H    SER  45          2H        SER  45   1.846 -19.373  -4.289
    3   3H    SER  45          3H        SER  45   0.309 -19.302  -5.001
    4    HA   SER  45           HA       SER  45   1.221 -17.066  -4.686
    5   1HB   SER  45          1HB       SER  45   3.286 -16.617  -6.131
    6   2HB   SER  45          2HB       SER  45   3.548 -17.642  -4.723
    7    HG   SER  45           HG       SER  45   3.833 -19.328  -5.992
    8    H    ASP  46           H        ASP  46   1.098 -15.397  -6.494
    9    HA   ASP  46           HA       ASP  46  -0.460 -16.493  -8.815
   10   1HB   ASP  46          1HB       ASP  46  -1.503 -15.014  -6.945
   11   2HB   ASP  46          2HB       ASP  46  -0.617 -13.692  -7.704
   12    H    GLY  47           H        GLY  47  -0.021 -15.589 -10.886
   13   1HA   GLY  47          1HA       GLY  47   1.688 -13.369 -11.399
   14   2HA   GLY  47          2HA       GLY  47   2.665 -14.837 -11.448
   15    H    ASP  48           H        ASP  48  -0.358 -13.477 -12.775
   16    HA   ASP  48           HA       ASP  48   0.345 -14.612 -15.425
   17   1HB   ASP  48          1HB       ASP  48  -1.885 -15.712 -15.567
   18   2HB   ASP  48          2HB       ASP  48  -0.902 -16.377 -14.264
   19    H    GLN  49           H        GLN  49  -2.011 -12.721 -13.509
   20    HA   GLN  49           HA       GLN  49  -3.342 -11.425 -15.665
   21   1HB   GLN  49          1HB       GLN  49  -3.649 -11.528 -13.026
   22   2HB   GLN  49          2HB       GLN  49  -2.785  -9.994 -13.105
   23   1HG   GLN  49          1HG       GLN  49  -5.128  -9.476 -13.249
   24   2HG   GLN  49          2HG       GLN  49  -4.460  -9.268 -14.868
   25   1HE2  GLN  49          2HE2      GLN  49  -5.985 -11.863 -12.867
   26   2HE2  GLN  49          1HE2      GLN  49  -6.847 -12.549 -14.158
   27    H    CYS  50           H        CYS  50  -0.201 -10.849 -14.212
   28    HA   CYS  50           HA       CYS  50   0.129  -8.374 -15.873
   29   1HB   CYS  50          1HB       CYS  50   0.334  -8.279 -13.352
   30   2HB   CYS  50          2HB       CYS  50   1.731  -9.347 -13.486
   31    H    ALA  51           H        ALA  51   0.413 -11.182 -16.832
   32    HA   ALA  51           HA       ALA  51   3.298 -11.678 -17.097
   33   1HB   ALA  51          1HB       ALA  51   1.492 -13.421 -16.890
   34   2HB   ALA  51          2HB       ALA  51   0.917 -12.945 -18.488
   35   3HB   ALA  51          3HB       ALA  51   2.526 -13.644 -18.301
   36    H    SER  52           H        SER  52   0.769 -10.090 -18.943
   37    HA   SER  52           HA       SER  52   2.437 -10.005 -21.399
   38   1HB   SER  52          1HB       SER  52   0.065 -10.521 -21.588
   39   2HB   SER  52          2HB       SER  52  -0.359  -9.068 -20.688
   40    HG   SER  52           HG       SER  52   0.213  -9.378 -23.318
   41    H    SER  53           H        SER  53   2.886  -8.408 -18.723
   42    HA   SER  53           HA       SER  53   3.581  -6.233 -18.117
   43   1HB   SER  53          1HB       SER  53   4.150  -6.310 -21.095
   44   2HB   SER  53          2HB       SER  53   4.812  -5.107 -19.993
   45    HG   SER  53           HG       SER  53   5.500  -7.736 -20.382
   46    HA   PRO  54           HA       PRO  54  -0.334  -4.334 -19.796
   47   1HB   PRO  54          1HB       PRO  54  -1.538  -3.878 -17.383
   48   2HB   PRO  54          2HB       PRO  54  -1.715  -5.400 -18.277
   49   1HG   PRO  54          1HG       PRO  54   0.009  -4.767 -15.941
   50   2HG   PRO  54          2HG       PRO  54  -0.876  -6.251 -16.324
   51   1HD   PRO  54          1HD       PRO  54   1.817  -5.933 -16.703
   52   2HD   PRO  54          2HD       PRO  54   0.810  -7.072 -17.624
   53    H    CYS  55           H        CYS  55   1.537  -3.458 -16.884
   54    HA   CYS  55           HA       CYS  55   1.009  -0.581 -17.257
   55   1HB   CYS  55          1HB       CYS  55   2.667  -2.232 -15.328
   56   2HB   CYS  55          2HB       CYS  55   2.492  -0.480 -15.212
   57    H    GLN  56           H        GLN  56   3.042   0.885 -17.145
   58    HA   GLN  56           HA       GLN  56   5.473  -0.205 -18.412
   59   1HB   GLN  56          1HB       GLN  56   5.201   1.242 -20.412
   60   2HB   GLN  56          2HB       GLN  56   3.875   0.091 -20.271
   61   1HG   GLN  56          1HG       GLN  56   2.821   2.133 -18.856
   62   2HG   GLN  56          2HG       GLN  56   3.853   3.049 -19.954
   63   1HE2  GLN  56          2HE2      GLN  56   1.521   0.290 -20.127
   64   2HE2  GLN  56          1HE2      GLN  56   0.827   0.784 -21.596
   65    H    ASN  57           H        ASN  57   6.459   2.306 -19.337
   66    HA   ASN  57           HA       ASN  57   7.641   4.173 -18.516
   67   1HB   ASN  57          1HB       ASN  57   4.973   4.282 -17.095
   68   2HB   ASN  57          2HB       ASN  57   6.170   5.566 -16.930
   69   1HD2  ASN  57          2HD2      ASN  57   3.533   5.816 -18.251
   70   2HD2  ASN  57          1HD2      ASN  57   3.844   6.229 -19.867
   71    H    GLY  58           H        GLY  58   8.500   1.814 -17.313
   72   1HA   GLY  58          1HA       GLY  58   9.709   1.053 -15.453
   73   2HA   GLY  58          2HA       GLY  58   9.771   2.738 -14.938
   74    H    GLY  59           H        GLY  59   6.731   1.062 -15.447
   75   1HA   GLY  59          1HA       GLY  59   5.899   1.656 -12.716
   76   2HA   GLY  59          2HA       GLY  59   4.933   0.821 -13.933
   77    H    SER  60           H        SER  60   5.941   0.277 -10.987
   78    HA   SER  60           HA       SER  60   7.218  -2.370 -11.333
   79   1HB   SER  60          1HB       SER  60   6.301  -0.799  -8.902
   80   2HB   SER  60          2HB       SER  60   7.288  -2.256  -8.856
   81    H    CYS  61           H        CYS  61   5.712  -3.873 -12.063
   82    HA   CYS  61           HA       CYS  61   2.954  -3.883 -10.998
   83   1HB   CYS  61          1HB       CYS  61   3.534  -4.240 -13.401
   84   2HB   CYS  61          2HB       CYS  61   4.394  -5.710 -12.947
   85    H    LYS  62           H        LYS  62   2.072  -5.681  -9.844
   86    HA   LYS  62           HA       LYS  62   3.956  -7.766  -8.855
   87   1HB   LYS  62          1HB       LYS  62   3.500  -5.461  -7.451
   88   2HB   LYS  62          2HB       LYS  62   2.228  -6.499  -6.809
   89   1HG   LYS  62          1HG       LYS  62   3.709  -7.927  -5.802
   90   2HG   LYS  62          2HG       LYS  62   4.917  -7.735  -7.074
   91   1HD   LYS  62          1HD       LYS  62   5.852  -5.868  -6.097
   92   2HD   LYS  62          2HD       LYS  62   4.328  -5.358  -5.367
   93   1HE   LYS  62          1HE       LYS  62   5.557  -7.918  -4.402
   94   2HE   LYS  62          2HE       LYS  62   6.252  -6.382  -3.847
   95   1HZ   LYS  62          1HZ       LYS  62   3.350  -7.012  -3.800
   96   2HZ   LYS  62          2HZ       LYS  62   4.375  -7.170  -2.454
   97   3HZ   LYS  62          3HZ       LYS  62   4.106  -5.641  -3.145
   98    H    ASP  63           H        ASP  63   2.851  -9.674  -8.171
   99    HA   ASP  63           HA       ASP  63   0.162 -10.026  -9.292
  100   1HB   ASP  63          1HB       ASP  63   0.581 -12.383  -8.627
  101   2HB   ASP  63          2HB       ASP  63   1.946 -11.712  -9.516
  102    H    GLN  64           H        GLN  64  -1.674  -9.663  -8.131
  103    HA   GLN  64           HA       GLN  64  -1.512  -9.680  -5.139
  104   1HB   GLN  64          1HB       GLN  64  -3.146  -8.215  -7.207
  105   2HB   GLN  64          2HB       GLN  64  -3.725  -8.336  -5.546
  106   1HG   GLN  64          1HG       GLN  64  -0.990  -7.287  -6.329
  107   2HG   GLN  64          2HG       GLN  64  -2.382  -6.266  -5.965
  108   1HE2  GLN  64          2HE2      GLN  64  -3.451  -6.866  -3.712
  109   2HE2  GLN  64          1HE2      GLN  64  -2.363  -7.166  -2.443
  110    H    LEU  65           H        LEU  65  -4.168  -9.962  -4.510
  111    HA   LEU  65           HA       LEU  65  -4.653 -12.751  -4.604
  112   1HB   LEU  65          1HB       LEU  65  -6.023 -10.274  -3.805
  113   2HB   LEU  65          2HB       LEU  65  -7.135 -11.566  -4.255
  114    HG   LEU  65           HG       LEU  65  -6.610 -11.652  -1.846
  115   1HD1  LEU  65          1HD1      LEU  65  -6.871 -13.751  -3.384
  116   2HD1  LEU  65          2HD1      LEU  65  -5.147 -13.971  -3.083
  117   3HD1  LEU  65          3HD1      LEU  65  -6.285 -13.968  -1.736
  118   1HD2  LEU  65          1HD2      LEU  65  -4.354 -10.644  -1.973
  119   2HD2  LEU  65          2HD2      LEU  65  -4.318 -12.179  -1.106
  120   3HD2  LEU  65          3HD2      LEU  65  -3.754 -12.096  -2.775
  121    H    GLN  66           H        GLN  66  -6.920 -10.458  -6.140
  122    HA   GLN  66           HA       GLN  66  -7.561 -12.485  -8.196
  123   1HB   GLN  66          1HB       GLN  66  -8.724 -10.004  -7.040
  124   2HB   GLN  66          2HB       GLN  66  -9.144 -10.351  -8.718
  125   1HG   GLN  66          1HG       GLN  66  -9.504 -12.807  -7.678
  126   2HG   GLN  66          2HG       GLN  66  -9.848 -11.845  -6.241
  127   1HE2  GLN  66          2HE2      GLN  66 -12.161 -12.374  -6.373
  128   2HE2  GLN  66          1HE2      GLN  66 -13.150 -11.670  -7.559
  129    H    SER  67           H        SER  67  -7.320  -8.951  -8.609
  130    HA   SER  67           HA       SER  67  -6.106  -9.303 -11.262
  131   1HB   SER  67          1HB       SER  67  -6.473  -6.909 -11.399
  132   2HB   SER  67          2HB       SER  67  -7.879  -7.624 -10.615
  133    HG   SER  67           HG       SER  67  -7.207  -5.860  -9.416
  134    H    TYR  68           H        TYR  68  -4.413  -7.058 -11.337
  135    HA   TYR  68           HA       TYR  68  -2.156  -7.950  -9.575
  136   1HB   TYR  68          1HB       TYR  68  -0.731  -7.127 -11.436
  137   2HB   TYR  68          2HB       TYR  68  -1.877  -8.344 -11.996
  138    HD1  TYR  68           HD1      TYR  68  -1.142  -4.708 -11.896
  139    HD2  TYR  68           HD2      TYR  68  -3.633  -7.794 -13.545
  140    HE1  TYR  68           HE1      TYR  68  -2.045  -3.096 -13.548
  141    HE2  TYR  68           HE2      TYR  68  -4.538  -6.181 -15.198
  142    HH   TYR  68           HH       TYR  68  -4.742  -3.396 -15.124
  143    H    ILE  69           H        ILE  69  -0.450  -5.879  -9.734
  144    HA   ILE  69           HA       ILE  69  -1.904  -3.351  -9.185
  145    HB   ILE  69           HB       ILE  69  -1.903  -4.714  -7.114
  146   1HG1  ILE  69          1HG1      ILE  69   0.104  -2.622  -6.472
  147   2HG1  ILE  69          2HG1      ILE  69  -1.333  -2.075  -7.337
  148   1HG2  ILE  69          1HG2      ILE  69   0.157  -5.999  -7.562
  149   2HG2  ILE  69          2HG2      ILE  69   1.115  -4.534  -7.346
  150   3HG2  ILE  69          3HG2      ILE  69   0.225  -5.215  -5.985
  151   1HD1  ILE  69          1HD1      ILE  69  -2.480  -3.702  -5.486
  152   2HD1  ILE  69          2HD1      ILE  69  -1.076  -3.134  -4.580
  153   3HD1  ILE  69          3HD1      ILE  69  -2.229  -1.972  -5.236
  154    H    CYS  70           H        CYS  70  -0.658  -1.598  -9.794
  155    HA   CYS  70           HA       CYS  70   2.230  -2.115 -10.426
  156   1HB   CYS  70          1HB       CYS  70   0.061  -0.481 -11.754
  157   2HB   CYS  70          2HB       CYS  70   1.767  -0.254 -12.142
  158    H    PHE  71           H        PHE  71   3.563  -0.995  -9.081
  159    HA   PHE  71           HA       PHE  71   2.555   1.409  -7.646
  160   1HB   PHE  71          1HB       PHE  71   5.075  -0.272  -7.414
  161   2HB   PHE  71          2HB       PHE  71   4.636   1.039  -6.321
  162    HD1  PHE  71           HD1      PHE  71   2.704   0.827  -4.802
  163    HD2  PHE  71           HD2      PHE  71   3.920  -2.405  -7.357
  164    HE1  PHE  71           HE1      PHE  71   1.312  -0.743  -3.480
  165    HE2  PHE  71           HE2      PHE  71   2.528  -3.974  -6.035
  166    HZ   PHE  71           HZ       PHE  71   1.224  -3.144  -4.096
  167    H    CYS  72           H        CYS  72   2.834   3.272  -8.847
  168    HA   CYS  72           HA       CYS  72   5.407   3.600 -10.355
  169   1HB   CYS  72          1HB       CYS  72   2.561   4.485 -10.784
  170   2HB   CYS  72          2HB       CYS  72   3.885   5.346 -11.568
  171    H    LEU  73           H        LEU  73   5.567   6.232 -10.716
  172    HA   LEU  73           HA       LEU  73   6.046   7.304  -8.012
  173   1HB   LEU  73          1HB       LEU  73   6.625   8.152 -10.857
  174   2HB   LEU  73          2HB       LEU  73   7.015   9.185  -9.483
  175    HG   LEU  73           HG       LEU  73   7.894   6.349  -9.300
  176   1HD1  LEU  73          1HD1      LEU  73   8.779   8.248 -11.418
  177   2HD1  LEU  73          2HD1      LEU  73  10.043   7.353 -10.575
  178   3HD1  LEU  73          3HD1      LEU  73   8.764   6.484 -11.423
  179   1HD2  LEU  73          1HD2      LEU  73   9.180   9.029  -8.682
  180   2HD2  LEU  73          2HD2      LEU  73   8.357   7.989  -7.521
  181   3HD2  LEU  73          3HD2      LEU  73   9.861   7.456  -8.272
  182    HA   PRO  74           HA       PRO  74   2.509   9.914  -7.800
  183   1HB   PRO  74          1HB       PRO  74   3.519  12.298  -6.895
  184   2HB   PRO  74          2HB       PRO  74   3.331  10.866  -5.863
  185   1HG   PRO  74          1HG       PRO  74   5.769  11.898  -7.239
  186   2HG   PRO  74          2HG       PRO  74   5.591  11.244  -5.602
  187   1HD   PRO  74          1HD       PRO  74   6.601   9.782  -7.628
  188   2HD   PRO  74          2HD       PRO  74   5.634   9.055  -6.325
  189    H    ALA  75           H        ALA  75   5.169  10.808  -9.843
  190    HA   ALA  75           HA       ALA  75   3.730  13.050 -11.122
  191   1HB   ALA  75          1HB       ALA  75   6.161  13.109 -10.713
  192   2HB   ALA  75          2HB       ALA  75   6.366  11.657 -11.695
  193   3HB   ALA  75          3HB       ALA  75   5.827  13.160 -12.444
  194    H    PHE  76           H        PHE  76   3.101   9.886 -11.271
  195    HA   PHE  76           HA       PHE  76   2.718   9.885 -14.249
  196   1HB   PHE  76          1HB       PHE  76   3.608   7.786 -12.278
  197   2HB   PHE  76          2HB       PHE  76   2.866   7.309 -13.805
  198    HD1  PHE  76           HD1      PHE  76   5.692   9.185 -12.289
  199    HD2  PHE  76           HD2      PHE  76   4.042   7.499 -15.878
  200    HE1  PHE  76           HE1      PHE  76   7.846   9.562 -13.457
  201    HE2  PHE  76           HE2      PHE  76   6.197   7.876 -17.047
  202    HZ   PHE  76           HZ       PHE  76   8.099   8.909 -15.835
  203    H    GLU  77           H        GLU  77   0.704   9.062 -14.979
  204    HA   GLU  77           HA       GLU  77  -1.303   8.281 -12.906
  205   1HB   GLU  77          1HB       GLU  77  -1.109  10.817 -13.870
  206   2HB   GLU  77          2HB       GLU  77  -2.191  10.109 -15.070
  207   1HG   GLU  77          1HG       GLU  77  -3.638   9.277 -13.208
  208   2HG   GLU  77          2HG       GLU  77  -2.598  10.127 -12.066
  209    H    GLY  78           H        GLY  78  -3.376   7.504 -14.092
  210   1HA   GLY  78          1HA       GLY  78  -4.279   6.627 -16.248
  211   2HA   GLY  78          2HA       GLY  78  -2.635   6.119 -16.640
  212    H    ARG  79           H        ARG  79  -4.520   4.182 -16.776
  213    HA   ARG  79           HA       ARG  79  -4.788   2.743 -14.228
  214   1HB   ARG  79          1HB       ARG  79  -6.242   2.908 -16.505
  215   2HB   ARG  79          2HB       ARG  79  -5.316   1.448 -16.855
  216   1HG   ARG  79          1HG       ARG  79  -6.039   0.483 -14.690
  217   2HG   ARG  79          2HG       ARG  79  -6.998   1.929 -14.378
  218   1HD   ARG  79          1HD       ARG  79  -8.036   1.371 -16.759
  219   2HD   ARG  79          2HD       ARG  79  -7.488  -0.269 -16.358
  220    HE   ARG  79           HE       ARG  79  -8.937   1.162 -14.221
  221   1HH1  ARG  79          1HH1      ARG  79  -9.271  -0.911 -17.000
  222   2HH1  ARG  79          2HH1      ARG  79 -10.603  -1.782 -16.324
  223   1HH2  ARG  79          1HH2      ARG  79 -10.581  -0.080 -13.313
  224   2HH2  ARG  79          2HH2      ARG  79 -11.341  -1.317 -14.259
  225    H    ASN  80           H        ASN  80  -2.701   2.670 -17.062
  226    HA   ASN  80           HA       ASN  80  -1.229   0.333 -15.883
  227   1HB   ASN  80          1HB       ASN  80  -1.812   1.230 -18.709
  228   2HB   ASN  80          2HB       ASN  80  -0.524   0.077 -18.359
  229   1HD2  ASN  80          2HD2      ASN  80  -1.593  -1.559 -16.414
  230   2HD2  ASN  80          1HD2      ASN  80  -3.009  -2.311 -16.970
  231    H    CYS  81           H        CYS  81  -0.872   3.286 -15.377
  232    HA   CYS  81           HA       CYS  81   0.889   4.851 -15.211
  233   1HB   CYS  81          1HB       CYS  81   2.221   2.151 -15.431
  234   2HB   CYS  81          2HB       CYS  81   3.177   3.618 -15.218
  235    H    GLU  82           H        GLU  82  -0.190   5.026 -17.690
  236    HA   GLU  82           HA       GLU  82   2.084   4.894 -19.630
  237   1HB   GLU  82          1HB       GLU  82   0.255   5.031 -21.315
  238   2HB   GLU  82          2HB       GLU  82   0.043   3.667 -20.219
  239   1HG   GLU  82          1HG       GLU  82  -1.213   6.171 -19.286
  240   2HG   GLU  82          2HG       GLU  82  -1.898   5.532 -20.779
  241    H    THR  83           H        THR  83   0.047   7.101 -17.867
  242    HA   THR  83           HA       THR  83   0.705   9.382 -19.656
  243    HB   THR  83           HB       THR  83  -0.928   9.230 -17.101
  244    HG1  THR  83           HG1      THR  83  -2.337   8.259 -18.285
  245   1HG2  THR  83          1HG2      THR  83  -0.818  11.245 -19.363
  246   2HG2  THR  83          2HG2      THR  83  -1.988  11.277 -18.044
  247   3HG2  THR  83          3HG2      THR  83  -0.272  11.501 -17.705
  248    H    HIS  84           H        HIS  84   2.046  11.086 -18.986
  249    HA   HIS  84           HA       HIS  84   3.593  10.630 -16.455
  250   1HB   HIS  84          1HB       HIS  84   4.667  10.470 -18.792
  251   2HB   HIS  84          2HB       HIS  84   4.439  12.216 -18.888
  252    HD1  HIS  84           HD1      HIS  84   7.110  10.180 -18.310
  253    HD2  HIS  84           HD2      HIS  84   5.401  13.137 -15.920
  254    HE1  HIS  84           HE1      HIS  84   8.903  10.903 -16.672
  255    H    LYS  85           H        LYS  85   2.411  11.943 -15.021
  256    HA   LYS  85           HA       LYS  85   1.235  14.477 -15.619
  257   1HB   LYS  85          1HB       LYS  85   2.356  13.340 -13.033
  258   2HB   LYS  85          2HB       LYS  85   1.240  14.702 -13.139
  259   1HG   LYS  85          1HG       LYS  85  -0.184  12.972 -14.574
  260   2HG   LYS  85          2HG       LYS  85   0.735  11.797 -13.632
  261   1HD   LYS  85          1HD       LYS  85  -0.811  14.104 -12.416
  262   2HD   LYS  85          2HD       LYS  85  -1.438  12.461 -12.559
  263   1HE   LYS  85          1HE       LYS  85   0.472  11.621 -11.208
  264   2HE   LYS  85          2HE       LYS  85   1.053  13.289 -11.024
  265   1HZ   LYS  85          1HZ       LYS  85  -1.207  13.850 -10.180
  266   2HZ   LYS  85          2HZ       LYS  85  -1.562  12.189 -10.146
  267   3HZ   LYS  85          3HZ       LYS  85  -0.330  12.812  -9.161
  268    H    ASP  86           H        ASP  86   2.718  15.819 -16.758
  269    HA   ASP  86           HA       ASP  86   5.389  16.384 -15.668
  270   1HB   ASP  86          1HB       ASP  86   3.709  17.326 -17.998
  271   2HB   ASP  86          2HB       ASP  86   5.280  18.046 -17.643
  272    H    ASP  87           H        ASP  87   4.814  17.313 -13.579
  273    HA   ASP  87           HA       ASP  87   3.055  19.609 -13.336
  274   1HB   ASP  87          1HB       ASP  87   4.028  19.668 -11.043
  275   2HB   ASP  87          2HB       ASP  87   3.531  18.041 -11.502
  276    H    GLY  88           H        GLY  88   6.486  19.174 -13.978
  277   1HA   GLY  88          1HA       GLY  88   6.772  22.150 -14.126
  278   2HA   GLY  88          2HA       GLY  88   8.070  21.116 -13.529
  279    H    SER  89           H        SER  89   7.787  22.941 -15.973
  280    HA   SER  89           HA       SER  89   8.022  21.076 -18.245
  281   1HB   SER  89          1HB       SER  89   8.399  23.275 -19.444
  282   2HB   SER  89          2HB       SER  89   6.891  23.195 -18.538
  283    HG   SER  89           HG       SER  89   8.049  25.133 -18.138
  284    H    ALA  90           H        ALA  90   9.973  20.765 -19.438
  285    HA   ALA  90           HA       ALA  90  12.490  21.645 -18.056
  286   1HB   ALA  90          1HB       ALA  90  11.879  19.253 -17.714
  287   2HB   ALA  90          2HB       ALA  90  11.879  19.024 -19.463
  288   3HB   ALA  90          3HB       ALA  90  13.379  19.424 -18.627
  289    H1   FUC  91           H1       FUC  91   9.005  -1.185  -7.850
  290    H2   FUC  91           H2       FUC  91  10.949   0.338  -7.999
  291    H3   FUC  91           H3       FUC  91   9.612   1.281 -10.583
  292    H4   FUC  91           H4       FUC  91   9.462   3.442  -9.398
  293    H5   FUC  91           H5       FUC  91   7.587   1.830  -9.310
  294   1H6   FUC  91          1H6       FUC  91   6.506   2.519  -7.163
  295   2H6   FUC  91          2H6       FUC  91   7.233   3.904  -8.034
  296   3H6   FUC  91          3H6       FUC  91   8.068   3.201  -6.617
  297    HO2  FUC  91           HO2      FUC  91  11.912  -0.828  -9.567
  298    HO3  FUC  91           HO3      FUC  91  12.106   1.938  -9.330
  299    HO4  FUC  91           HO4      FUC  91  10.222   3.653  -7.356
  Start of MODEL    8
    1   1H    SER  45          1H        SER  45  -1.230 -18.885  -5.062
    2   2H    SER  45          2H        SER  45  -0.549 -20.441  -5.119
    3   3H    SER  45          3H        SER  45  -0.615 -19.494  -6.525
    4    HA   SER  45           HA       SER  45  -2.355 -21.101  -6.697
    5   1HB   SER  45          1HB       SER  45  -3.014 -20.098  -3.909
    6   2HB   SER  45          2HB       SER  45  -3.953 -21.295  -4.796
    7    HG   SER  45           HG       SER  45  -2.245 -22.688  -4.707
    8    H    ASP  46           H        ASP  46  -1.926 -18.372  -7.539
    9    HA   ASP  46           HA       ASP  46  -4.767 -17.442  -7.680
   10   1HB   ASP  46          1HB       ASP  46  -3.897 -15.125  -7.380
   11   2HB   ASP  46          2HB       ASP  46  -3.568 -16.139  -5.979
   12    H    GLY  47           H        GLY  47  -5.123 -15.992  -9.577
   13   1HA   GLY  47          1HA       GLY  47  -3.791 -17.007 -11.949
   14   2HA   GLY  47          2HA       GLY  47  -5.018 -15.740 -11.917
   15    H    ASP  48           H        ASP  48  -2.068 -16.127 -13.012
   16    HA   ASP  48           HA       ASP  48  -0.773 -13.728 -11.850
   17   1HB   ASP  48          1HB       ASP  48   0.014 -15.764 -13.960
   18   2HB   ASP  48          2HB       ASP  48   1.074 -14.479 -13.379
   19    H    GLN  49           H        GLN  49  -1.316 -11.765 -12.702
   20    HA   GLN  49           HA       GLN  49  -2.158 -11.619 -15.575
   21   1HB   GLN  49          1HB       GLN  49  -2.677  -9.882 -13.144
   22   2HB   GLN  49          2HB       GLN  49  -3.213  -9.468 -14.773
   23   1HG   GLN  49          1HG       GLN  49  -4.185 -11.959 -14.670
   24   2HG   GLN  49          2HG       GLN  49  -4.195 -11.608 -12.941
   25   1HE2  GLN  49          2HE2      GLN  49  -6.552 -11.457 -12.873
   26   2HE2  GLN  49          1HE2      GLN  49  -7.373 -10.144 -13.567
   27    H    CYS  50           H        CYS  50   0.666 -11.611 -14.481
   28    HA   CYS  50           HA       CYS  50   1.508  -8.963 -15.611
   29   1HB   CYS  50          1HB       CYS  50   1.635  -9.156 -13.098
   30   2HB   CYS  50          2HB       CYS  50   2.775 -10.484 -13.310
   31    H    ALA  51           H        ALA  51   1.289 -11.382 -17.111
   32    HA   ALA  51           HA       ALA  51   3.926 -12.670 -17.251
   33   1HB   ALA  51          1HB       ALA  51   1.537 -13.614 -17.687
   34   2HB   ALA  51          2HB       ALA  51   1.694 -12.857 -19.272
   35   3HB   ALA  51          3HB       ALA  51   2.835 -14.106 -18.776
   36    H    SER  52           H        SER  52   2.214 -10.076 -18.900
   37    HA   SER  52           HA       SER  52   4.536  -9.784 -20.782
   38   1HB   SER  52          1HB       SER  52   1.584  -9.641 -21.052
   39   2HB   SER  52          2HB       SER  52   2.492  -8.430 -21.953
   40    HG   SER  52           HG       SER  52   3.324  -9.957 -23.180
   41    H    SER  53           H        SER  53   3.912  -8.580 -17.977
   42    HA   SER  53           HA       SER  53   4.120  -6.482 -16.906
   43   1HB   SER  53          1HB       SER  53   5.575  -5.901 -19.504
   44   2HB   SER  53          2HB       SER  53   5.817  -5.073 -17.969
   45    HG   SER  53           HG       SER  53   7.344  -6.787 -18.432
   46    HA   PRO  54           HA       PRO  54   0.709  -4.584 -19.393
   47   1HB   PRO  54          1HB       PRO  54  -1.002  -4.203 -17.292
   48   2HB   PRO  54          2HB       PRO  54  -0.925  -5.719 -18.213
   49   1HG   PRO  54          1HG       PRO  54   0.245  -5.054 -15.561
   50   2HG   PRO  54          2HG       PRO  54  -0.495  -6.561 -16.124
   51   1HD   PRO  54          1HD       PRO  54   2.202  -6.176 -15.928
   52   2HD   PRO  54          2HD       PRO  54   1.446  -7.312 -17.065
   53    H    CYS  55           H        CYS  55   2.292  -3.692 -16.378
   54    HA   CYS  55           HA       CYS  55   1.414  -0.985 -16.129
   55   1HB   CYS  55          1HB       CYS  55   4.091  -2.254 -15.449
   56   2HB   CYS  55          2HB       CYS  55   3.464  -0.759 -14.763
   57    H    GLN  56           H        GLN  56   2.757   0.974 -16.638
   58    HA   GLN  56           HA       GLN  56   4.540   0.643 -19.016
   59   1HB   GLN  56          1HB       GLN  56   1.929   1.289 -19.260
   60   2HB   GLN  56          2HB       GLN  56   2.596   2.899 -18.984
   61   1HG   GLN  56          1HG       GLN  56   3.756   2.910 -20.965
   62   2HG   GLN  56          2HG       GLN  56   4.044   1.171 -20.927
   63   1HE2  GLN  56          2HE2      GLN  56   1.552   0.045 -20.832
   64   2HE2  GLN  56          1HE2      GLN  56   0.606   0.531 -22.156
   65    H    ASN  57           H        ASN  57   5.479   2.973 -19.533
   66    HA   ASN  57           HA       ASN  57   6.924   4.692 -18.805
   67   1HB   ASN  57          1HB       ASN  57   4.528   4.791 -16.978
   68   2HB   ASN  57          2HB       ASN  57   5.848   5.944 -16.782
   69   1HD2  ASN  57          2HD2      ASN  57   3.141   6.650 -17.667
   70   2HD2  ASN  57          1HD2      ASN  57   3.281   7.268 -19.242
   71    H    GLY  58           H        GLY  58   7.790   2.158 -17.953
   72   1HA   GLY  58          1HA       GLY  58   9.256   1.167 -16.410
   73   2HA   GLY  58          2HA       GLY  58   9.575   2.800 -15.828
   74    H    GLY  59           H        GLY  59   6.373   1.344 -15.820
   75   1HA   GLY  59          1HA       GLY  59   6.079   1.877 -12.973
   76   2HA   GLY  59          2HA       GLY  59   4.876   1.116 -14.013
   77    H    SER  60           H        SER  60   5.834   0.310 -11.312
   78    HA   SER  60           HA       SER  60   7.306  -2.214 -11.786
   79   1HB   SER  60          1HB       SER  60   6.260  -0.689  -9.396
   80   2HB   SER  60          2HB       SER  60   6.939  -2.304  -9.228
   81    H    CYS  61           H        CYS  61   6.198  -4.061 -12.260
   82    HA   CYS  61           HA       CYS  61   3.267  -4.174 -11.895
   83   1HB   CYS  61          1HB       CYS  61   4.439  -4.853 -13.988
   84   2HB   CYS  61          2HB       CYS  61   5.259  -6.129 -13.088
   85    H    LYS  62           H        LYS  62   2.274  -5.343 -10.303
   86    HA   LYS  62           HA       LYS  62   3.934  -7.235  -8.672
   87   1HB   LYS  62          1HB       LYS  62   2.631  -4.754  -7.974
   88   2HB   LYS  62          2HB       LYS  62   1.857  -6.070  -7.096
   89   1HG   LYS  62          1HG       LYS  62   4.425  -6.784  -6.731
   90   2HG   LYS  62          2HG       LYS  62   4.644  -5.041  -6.898
   91   1HD   LYS  62          1HD       LYS  62   3.518  -4.572  -4.955
   92   2HD   LYS  62          2HD       LYS  62   2.414  -5.935  -5.144
   93   1HE   LYS  62          1HE       LYS  62   4.357  -7.472  -4.597
   94   2HE   LYS  62          2HE       LYS  62   5.287  -6.022  -4.168
   95   1HZ   LYS  62          1HZ       LYS  62   3.467  -5.374  -2.680
   96   2HZ   LYS  62          2HZ       LYS  62   2.662  -6.828  -3.029
   97   3HZ   LYS  62          3HZ       LYS  62   4.153  -6.859  -2.222
   98    H    ASP  63           H        ASP  63   3.049  -9.253  -8.705
   99    HA   ASP  63           HA       ASP  63   0.392  -9.732  -9.841
  100   1HB   ASP  63          1HB       ASP  63   2.828 -11.199  -9.078
  101   2HB   ASP  63          2HB       ASP  63   1.348 -12.106  -8.774
  102    H    GLN  64           H        GLN  64  -1.026  -8.716  -8.278
  103    HA   GLN  64           HA       GLN  64  -0.984  -9.671  -5.479
  104   1HB   GLN  64          1HB       GLN  64  -2.475  -7.623  -7.114
  105   2HB   GLN  64          2HB       GLN  64  -3.041  -8.055  -5.500
  106   1HG   GLN  64          1HG       GLN  64  -0.178  -7.249  -6.036
  107   2HG   GLN  64          2HG       GLN  64  -1.427  -6.070  -5.637
  108   1HE2  GLN  64          2HE2      GLN  64  -2.515  -6.323  -3.489
  109   2HE2  GLN  64          1HE2      GLN  64  -1.706  -7.123  -2.230
  110    H    LEU  65           H        LEU  65  -3.622  -9.841  -4.822
  111    HA   LEU  65           HA       LEU  65  -4.409 -12.448  -5.795
  112   1HB   LEU  65          1HB       LEU  65  -4.836 -11.126  -3.550
  113   2HB   LEU  65          2HB       LEU  65  -6.260 -10.530  -4.404
  114    HG   LEU  65           HG       LEU  65  -6.785 -12.974  -4.943
  115   1HD1  LEU  65          1HD1      LEU  65  -4.542 -13.277  -2.943
  116   2HD1  LEU  65          2HD1      LEU  65  -5.768 -14.529  -3.151
  117   3HD1  LEU  65          3HD1      LEU  65  -4.731 -14.075  -4.505
  118   1HD2  LEU  65          1HD2      LEU  65  -7.723 -11.450  -3.022
  119   2HD2  LEU  65          2HD2      LEU  65  -8.047 -13.184  -2.978
  120   3HD2  LEU  65          3HD2      LEU  65  -6.771 -12.499  -1.971
  121    H    GLN  66           H        GLN  66  -6.120 -12.988  -7.202
  122    HA   GLN  66           HA       GLN  66  -7.546 -12.742  -9.054
  123   1HB   GLN  66          1HB       GLN  66  -8.080 -10.413  -7.244
  124   2HB   GLN  66          2HB       GLN  66  -8.863 -10.438  -8.825
  125   1HG   GLN  66          1HG       GLN  66  -9.934 -12.527  -8.369
  126   2HG   GLN  66          2HG       GLN  66  -8.947 -12.794  -6.931
  127   1HE2  GLN  66          2HE2      GLN  66 -11.662 -10.901  -8.222
  128   2HE2  GLN  66          1HE2      GLN  66 -12.209 -10.340  -6.717
  129    H    SER  67           H        SER  67  -6.951  -9.242  -8.868
  130    HA   SER  67           HA       SER  67  -5.810  -9.344 -11.608
  131   1HB   SER  67          1HB       SER  67  -7.693  -7.789 -10.445
  132   2HB   SER  67          2HB       SER  67  -6.271  -6.798 -10.131
  133    HG   SER  67           HG       SER  67  -7.629  -6.986 -12.365
  134    H    TYR  68           H        TYR  68  -4.342  -6.897 -11.410
  135    HA   TYR  68           HA       TYR  68  -2.124  -7.619  -9.526
  136   1HB   TYR  68          1HB       TYR  68  -0.574  -7.011 -11.377
  137   2HB   TYR  68          2HB       TYR  68  -1.630  -8.348 -11.827
  138    HD1  TYR  68           HD1      TYR  68  -3.551  -7.976 -13.355
  139    HD2  TYR  68           HD2      TYR  68  -0.752  -4.850 -12.441
  140    HE1  TYR  68           HE1      TYR  68  -4.373  -6.675 -15.298
  141    HE2  TYR  68           HE2      TYR  68  -1.576  -3.545 -14.384
  142    HH   TYR  68           HH       TYR  68  -3.270  -4.787 -16.844
  143    H    ILE  69           H        ILE  69  -0.445  -5.533  -9.890
  144    HA   ILE  69           HA       ILE  69  -2.021  -3.014  -9.758
  145    HB   ILE  69           HB       ILE  69  -2.038  -4.066  -7.521
  146   1HG1  ILE  69          1HG1      ILE  69  -0.097  -1.857  -7.114
  147   2HG1  ILE  69          2HG1      ILE  69  -1.513  -1.465  -8.091
  148   1HG2  ILE  69          1HG2      ILE  69   0.177  -5.267  -7.899
  149   2HG2  ILE  69          2HG2      ILE  69   0.970  -3.735  -7.527
  150   3HG2  ILE  69          3HG2      ILE  69  -0.028  -4.531  -6.308
  151   1HD1  ILE  69          1HD1      ILE  69  -2.708  -2.839  -6.086
  152   2HD1  ILE  69          2HD1      ILE  69  -1.338  -2.153  -5.209
  153   3HD1  ILE  69          3HD1      ILE  69  -2.469  -1.090  -6.046
  154    H    CYS  70           H        CYS  70  -0.867  -1.376 -10.704
  155    HA   CYS  70           HA       CYS  70   1.995  -1.851 -11.377
  156   1HB   CYS  70          1HB       CYS  70  -0.190   0.015 -12.328
  157   2HB   CYS  70          2HB       CYS  70   1.485   0.207 -12.842
  158    H    PHE  71           H        PHE  71   3.333  -1.113  -9.748
  159    HA   PHE  71           HA       PHE  71   2.617   1.290  -8.174
  160   1HB   PHE  71          1HB       PHE  71   4.732  -0.859  -8.123
  161   2HB   PHE  71          2HB       PHE  71   4.913   0.589  -7.133
  162    HD1  PHE  71           HD1      PHE  71   2.848   1.261  -5.672
  163    HD2  PHE  71           HD2      PHE  71   3.463  -2.658  -7.319
  164    HE1  PHE  71           HE1      PHE  71   1.290   0.312  -3.992
  165    HE2  PHE  71           HE2      PHE  71   1.906  -3.608  -5.639
  166    HZ   PHE  71           HZ       PHE  71   0.819  -2.124  -3.976
  167    H    CYS  72           H        CYS  72   3.088   3.228  -9.156
  168    HA   CYS  72           HA       CYS  72   5.686   3.458 -10.645
  169   1HB   CYS  72          1HB       CYS  72   2.987   4.769 -11.101
  170   2HB   CYS  72          2HB       CYS  72   4.445   5.145 -12.020
  171    H    LEU  73           H        LEU  73   5.842   6.143 -10.940
  172    HA   LEU  73           HA       LEU  73   6.423   7.090  -8.215
  173   1HB   LEU  73          1HB       LEU  73   6.751   8.282 -10.990
  174   2HB   LEU  73          2HB       LEU  73   7.425   8.977  -9.517
  175    HG   LEU  73           HG       LEU  73   8.033   6.108  -9.970
  176   1HD1  LEU  73          1HD1      LEU  73   8.748   8.255 -11.904
  177   2HD1  LEU  73          2HD1      LEU  73  10.041   7.153 -11.435
  178   3HD1  LEU  73          3HD1      LEU  73   8.566   6.521 -12.165
  179   1HD2  LEU  73          1HD2      LEU  73   9.389   8.581  -8.925
  180   2HD2  LEU  73          2HD2      LEU  73   9.121   7.036  -8.118
  181   3HD2  LEU  73          3HD2      LEU  73  10.358   7.175  -9.368
  182    HA   PRO  74           HA       PRO  74   2.837   9.595  -7.691
  183   1HB   PRO  74          1HB       PRO  74   3.833  11.936  -6.668
  184   2HB   PRO  74          2HB       PRO  74   3.714  10.434  -5.729
  185   1HG   PRO  74          1HG       PRO  74   6.076  11.613  -7.119
  186   2HG   PRO  74          2HG       PRO  74   5.975  10.843  -5.526
  187   1HD   PRO  74          1HD       PRO  74   6.934   9.552  -7.691
  188   2HD   PRO  74          2HD       PRO  74   6.042   8.712  -6.403
  189    H    ALA  75           H        ALA  75   5.301  10.562  -9.887
  190    HA   ALA  75           HA       ALA  75   3.874  12.953 -10.866
  191   1HB   ALA  75          1HB       ALA  75   6.378  11.448 -11.676
  192   2HB   ALA  75          2HB       ALA  75   5.823  12.915 -12.483
  193   3HB   ALA  75          3HB       ALA  75   6.292  12.966 -10.783
  194    H    PHE  76           H        PHE  76   3.956   9.532 -11.516
  195    HA   PHE  76           HA       PHE  76   2.789   9.911 -14.237
  196   1HB   PHE  76          1HB       PHE  76   4.071   7.664 -12.691
  197   2HB   PHE  76          2HB       PHE  76   3.108   7.316 -14.126
  198    HD1  PHE  76           HD1      PHE  76   3.653   8.736 -16.256
  199    HD2  PHE  76           HD2      PHE  76   6.331   8.232 -12.938
  200    HE1  PHE  76           HE1      PHE  76   5.564   9.361 -17.704
  201    HE2  PHE  76           HE2      PHE  76   8.244   8.857 -14.386
  202    HZ   PHE  76           HZ       PHE  76   7.861   9.422 -16.771
  203    H    GLU  77           H        GLU  77   0.776   8.818 -14.759
  204    HA   GLU  77           HA       GLU  77  -0.848   7.764 -12.506
  205   1HB   GLU  77          1HB       GLU  77  -0.907  10.415 -13.073
  206   2HB   GLU  77          2HB       GLU  77  -2.139   9.841 -14.197
  207   1HG   GLU  77          1HG       GLU  77  -2.892   8.466 -12.009
  208   2HG   GLU  77          2HG       GLU  77  -2.151   9.859 -11.221
  209    H    GLY  78           H        GLY  78  -3.098   7.102 -13.457
  210   1HA   GLY  78          1HA       GLY  78  -4.316   6.486 -15.542
  211   2HA   GLY  78          2HA       GLY  78  -2.750   6.107 -16.258
  212    H    ARG  79           H        ARG  79  -4.884   4.233 -16.139
  213    HA   ARG  79           HA       ARG  79  -4.788   2.421 -13.934
  214   1HB   ARG  79          1HB       ARG  79  -6.328   2.649 -16.062
  215   2HB   ARG  79          2HB       ARG  79  -5.169   1.532 -16.783
  216   1HG   ARG  79          1HG       ARG  79  -5.675  -0.181 -15.266
  217   2HG   ARG  79          2HG       ARG  79  -6.352   0.938 -14.082
  218   1HD   ARG  79          1HD       ARG  79  -8.024   1.394 -16.189
  219   2HD   ARG  79          2HD       ARG  79  -7.653  -0.326 -16.425
  220    HE   ARG  79           HE       ARG  79  -9.081   0.825 -14.132
  221   1HH1  ARG  79          1HH1      ARG  79  -6.947  -1.756 -15.090
  222   2HH1  ARG  79          2HH1      ARG  79  -7.690  -2.907 -14.034
  223   1HH2  ARG  79          1HH2      ARG  79 -10.113  -0.729 -12.872
  224   2HH2  ARG  79          2HH2      ARG  79  -9.464  -2.333 -12.788
  225    H    ASN  80           H        ASN  80  -2.941   2.456 -16.994
  226    HA   ASN  80           HA       ASN  80  -1.119   0.363 -15.869
  227   1HB   ASN  80          1HB       ASN  80  -1.963   1.248 -18.624
  228   2HB   ASN  80          2HB       ASN  80  -0.482   0.317 -18.405
  229   1HD2  ASN  80          2HD2      ASN  80  -1.108  -1.548 -16.494
  230   2HD2  ASN  80          1HD2      ASN  80  -2.422  -2.505 -16.982
  231    H    CYS  81           H        CYS  81  -1.045   3.303 -15.260
  232    HA   CYS  81           HA       CYS  81   0.546   5.039 -15.092
  233   1HB   CYS  81          1HB       CYS  81   2.170   2.529 -15.531
  234   2HB   CYS  81          2HB       CYS  81   2.948   4.087 -15.248
  235    H    GLU  82           H        GLU  82  -0.674   5.232 -17.492
  236    HA   GLU  82           HA       GLU  82   1.542   5.572 -19.489
  237   1HB   GLU  82          1HB       GLU  82  -0.274   5.268 -21.167
  238   2HB   GLU  82          2HB       GLU  82  -0.140   3.881 -20.088
  239   1HG   GLU  82          1HG       GLU  82  -2.048   4.569 -18.815
  240   2HG   GLU  82          2HG       GLU  82  -2.075   6.154 -19.589
  241    H    THR  83           H        THR  83   0.447   7.480 -17.346
  242    HA   THR  83           HA       THR  83  -0.111   9.763 -19.202
  243    HB   THR  83           HB       THR  83  -1.458   9.227 -16.537
  244    HG1  THR  83           HG1      THR  83  -2.476   8.901 -19.162
  245   1HG2  THR  83          1HG2      THR  83  -1.541  11.390 -18.575
  246   2HG2  THR  83          2HG2      THR  83  -3.088  10.902 -17.879
  247   3HG2  THR  83          3HG2      THR  83  -1.790  11.475 -16.830
  248    H    HIS  84           H        HIS  84   1.557  11.181 -18.907
  249    HA   HIS  84           HA       HIS  84   3.183  11.177 -16.465
  250   1HB   HIS  84          1HB       HIS  84   3.669  11.640 -19.074
  251   2HB   HIS  84          2HB       HIS  84   3.387  13.301 -18.550
  252    HD1  HIS  84           HD1      HIS  84   6.062  10.994 -18.899
  253    HD2  HIS  84           HD2      HIS  84   5.015  13.748 -15.949
  254    HE1  HIS  84           HE1      HIS  84   8.160  11.429 -17.548
  255    H    LYS  85           H        LYS  85   1.658  11.902 -14.840
  256    HA   LYS  85           HA       LYS  85   0.328  14.515 -15.164
  257   1HB   LYS  85          1HB       LYS  85   0.459  12.319 -13.104
  258   2HB   LYS  85          2HB       LYS  85  -0.277  13.870 -12.702
  259   1HG   LYS  85          1HG       LYS  85  -1.065  12.289 -15.156
  260   2HG   LYS  85          2HG       LYS  85  -1.869  12.085 -13.600
  261   1HD   LYS  85          1HD       LYS  85  -2.890  14.135 -13.702
  262   2HD   LYS  85          2HD       LYS  85  -1.543  14.880 -14.564
  263   1HE   LYS  85          1HE       LYS  85  -3.271  12.806 -15.922
  264   2HE   LYS  85          2HE       LYS  85  -3.744  14.518 -15.894
  265   1HZ   LYS  85          1HZ       LYS  85  -1.097  13.490 -16.774
  266   2HZ   LYS  85          2HZ       LYS  85  -2.335  13.994 -17.817
  267   3HZ   LYS  85          3HZ       LYS  85  -1.593  15.115 -16.779
  268    H    ASP  86           H        ASP  86   2.402  15.747 -15.394
  269    HA   ASP  86           HA       ASP  86   3.989  16.007 -12.880
  270   1HB   ASP  86          1HB       ASP  86   5.014  15.589 -15.167
  271   2HB   ASP  86          2HB       ASP  86   4.461  17.199 -15.628
  272    H    ASP  87           H        ASP  87   1.233  17.134 -13.229
  273    HA   ASP  87           HA       ASP  87   1.916  20.018 -12.766
  274   1HB   ASP  87          1HB       ASP  87   0.921  19.488 -15.033
  275   2HB   ASP  87          2HB       ASP  87  -0.530  18.935 -14.196
  276    H    GLY  88           H        GLY  88   1.438  20.382 -10.636
  277   1HA   GLY  88          1HA       GLY  88  -1.164  19.359  -9.591
  278   2HA   GLY  88          2HA       GLY  88   0.306  19.144  -8.637
  279    H    SER  89           H        SER  89   1.389  21.062  -7.832
  280    HA   SER  89           HA       SER  89  -0.223  23.580  -7.931
  281   1HB   SER  89          1HB       SER  89   0.364  21.762  -5.669
  282   2HB   SER  89          2HB       SER  89   0.608  23.473  -5.331
  283    HG   SER  89           HG       SER  89  -1.507  23.170  -4.950
  284    H    ALA  90           H        ALA  90   2.801  22.099  -6.703
  285    HA   ALA  90           HA       ALA  90   4.414  24.213  -7.963
  286   1HB   ALA  90          1HB       ALA  90   3.413  25.052  -5.736
  287   2HB   ALA  90          2HB       ALA  90   4.499  23.901  -4.957
  288   3HB   ALA  90          3HB       ALA  90   5.159  25.213  -5.934
  289    H1   FUC  91           H1       FUC  91   8.774  -1.426  -7.971
  290    H2   FUC  91           H2       FUC  91  10.725   0.091  -7.848
  291    H3   FUC  91           H3       FUC  91   9.792   1.001 -10.614
  292    H4   FUC  91           H4       FUC  91   9.475   3.178  -9.495
  293    H5   FUC  91           H5       FUC  91   7.602   1.570  -9.664
  294   1H6   FUC  91          1H6       FUC  91   6.729   2.224  -7.059
  295   2H6   FUC  91          2H6       FUC  91   7.819   3.563  -7.528
  296   3H6   FUC  91          3H6       FUC  91   6.417   3.146  -8.560
  297    HO2  FUC  91           HO2      FUC  91  10.706  -1.157 -10.422
  298    HO3  FUC  91           HO3      FUC  91  11.744   1.837 -10.783
  299    HO4  FUC  91           HO4      FUC  91   9.971   1.767  -7.053
  Start of MODEL    9
    1   1H    SER  45          1H        SER  45  -6.728 -17.148 -13.972
    2   2H    SER  45          2H        SER  45  -5.351 -18.134 -14.105
    3   3H    SER  45          3H        SER  45  -6.893 -18.838 -14.056
    4    HA   SER  45           HA       SER  45  -7.207 -18.227 -11.783
    5   1HB   SER  45          1HB       SER  45  -5.050 -19.387 -10.917
    6   2HB   SER  45          2HB       SER  45  -6.049 -20.274 -12.064
    7    HG   SER  45           HG       SER  45  -4.543 -20.064 -13.541
    8    H    ASP  46           H        ASP  46  -5.386 -17.713  -9.840
    9    HA   ASP  46           HA       ASP  46  -4.716 -14.855 -10.294
   10   1HB   ASP  46          1HB       ASP  46  -4.776 -16.643  -7.840
   11   2HB   ASP  46          2HB       ASP  46  -4.483 -14.904  -7.808
   12    H    GLY  47           H        GLY  47  -2.797 -15.288 -11.645
   13   1HA   GLY  47          1HA       GLY  47  -0.358 -15.455 -10.090
   14   2HA   GLY  47          2HA       GLY  47  -0.610 -16.912 -11.053
   15    H    ASP  48           H        ASP  48  -1.395 -16.261 -13.429
   16    HA   ASP  48           HA       ASP  48   0.757 -14.550 -14.522
   17   1HB   ASP  48          1HB       ASP  48  -1.141 -16.655 -15.449
   18   2HB   ASP  48          2HB       ASP  48  -0.577 -15.504 -16.661
   19    H    GLN  49           H        GLN  49  -0.350 -12.557 -13.571
   20    HA   GLN  49           HA       GLN  49  -2.645 -11.642 -15.266
   21   1HB   GLN  49          1HB       GLN  49  -2.511 -11.884 -12.594
   22   2HB   GLN  49          2HB       GLN  49  -1.863 -10.253 -12.759
   23   1HG   GLN  49          1HG       GLN  49  -4.185  -9.893 -12.575
   24   2HG   GLN  49          2HG       GLN  49  -3.902  -9.839 -14.316
   25   1HE2  GLN  49          2HE2      GLN  49  -5.443 -11.031 -15.433
   26   2HE2  GLN  49          1HE2      GLN  49  -6.171 -12.459 -14.875
   27    H    CYS  50           H        CYS  50   0.590 -10.878 -14.103
   28    HA   CYS  50           HA       CYS  50   0.587  -8.360 -15.731
   29   1HB   CYS  50          1HB       CYS  50   1.029  -8.299 -13.239
   30   2HB   CYS  50          2HB       CYS  50   2.476  -9.261 -13.534
   31    H    ALA  51           H        ALA  51   0.978 -11.131 -16.774
   32    HA   ALA  51           HA       ALA  51   3.849 -11.414 -17.327
   33   1HB   ALA  51          1HB       ALA  51   2.242 -13.302 -17.009
   34   2HB   ALA  51          2HB       ALA  51   1.411 -12.805 -18.484
   35   3HB   ALA  51          3HB       ALA  51   3.075 -13.384 -18.562
   36    H    SER  52           H        SER  52   1.061  -9.955 -18.882
   37    HA   SER  52           HA       SER  52   2.434  -9.735 -21.496
   38   1HB   SER  52          1HB       SER  52   0.232  -8.653 -22.087
   39   2HB   SER  52          2HB       SER  52   0.075 -10.283 -21.438
   40    HG   SER  52           HG       SER  52  -1.326  -8.565 -20.530
   41    H    SER  53           H        SER  53   3.114  -8.180 -18.806
   42    HA   SER  53           HA       SER  53   3.838  -6.008 -18.229
   43   1HB   SER  53          1HB       SER  53   5.263  -6.675 -20.192
   44   2HB   SER  53          2HB       SER  53   4.124  -5.844 -21.247
   45    HG   SER  53           HG       SER  53   5.910  -4.817 -19.343
   46    HA   PRO  54           HA       PRO  54  -0.212  -4.125 -19.587
   47   1HB   PRO  54          1HB       PRO  54  -1.254  -3.741 -17.087
   48   2HB   PRO  54          2HB       PRO  54  -1.477  -5.244 -18.004
   49   1HG   PRO  54          1HG       PRO  54   0.398  -4.648 -15.777
   50   2HG   PRO  54          2HG       PRO  54  -0.498  -6.132 -16.134
   51   1HD   PRO  54          1HD       PRO  54   2.158  -5.780 -16.689
   52   2HD   PRO  54          2HD       PRO  54   1.099  -6.903 -17.569
   53    H    CYS  55           H        CYS  55   1.642  -3.268 -16.640
   54    HA   CYS  55           HA       CYS  55   1.153  -0.397 -17.010
   55   1HB   CYS  55          1HB       CYS  55   2.884  -2.034 -15.130
   56   2HB   CYS  55          2HB       CYS  55   2.629  -0.296 -14.981
   57    H    GLN  56           H        GLN  56   2.974   1.149 -17.260
   58    HA   GLN  56           HA       GLN  56   5.470   0.047 -18.447
   59   1HB   GLN  56          1HB       GLN  56   5.108   1.416 -20.484
   60   2HB   GLN  56          2HB       GLN  56   3.797   0.264 -20.255
   61   1HG   GLN  56          1HG       GLN  56   2.653   2.233 -18.949
   62   2HG   GLN  56          2HG       GLN  56   3.781   3.241 -19.855
   63   1HE2  GLN  56          2HE2      GLN  56   1.658   0.404 -20.599
   64   2HE2  GLN  56          1HE2      GLN  56   1.048   1.062 -22.041
   65    H    ASN  57           H        ASN  57   6.255   2.644 -19.511
   66    HA   ASN  57           HA       ASN  57   7.400   4.571 -18.796
   67   1HB   ASN  57          1HB       ASN  57   4.858   4.493 -17.183
   68   2HB   ASN  57          2HB       ASN  57   6.021   5.795 -16.940
   69   1HD2  ASN  57          2HD2      ASN  57   3.345   6.140 -18.100
   70   2HD2  ASN  57          1HD2      ASN  57   3.564   6.694 -19.690
   71    H    GLY  58           H        GLY  58   8.411   2.165 -17.692
   72   1HA   GLY  58          1HA       GLY  58   9.832   1.420 -15.981
   73   2HA   GLY  58          2HA       GLY  58  10.007   3.120 -15.544
   74    H    GLY  59           H        GLY  59   6.879   1.534 -15.555
   75   1HA   GLY  59          1HA       GLY  59   6.570   2.153 -12.694
   76   2HA   GLY  59          2HA       GLY  59   5.309   1.539 -13.764
   77    H    SER  60           H        SER  60   6.248   0.587 -11.067
   78    HA   SER  60           HA       SER  60   7.419  -2.071 -11.635
   79   1HB   SER  60          1HB       SER  60   6.458  -0.724  -9.088
   80   2HB   SER  60          2HB       SER  60   7.396  -2.213  -9.163
   81    H    CYS  61           H        CYS  61   6.253  -4.019 -11.417
   82    HA   CYS  61           HA       CYS  61   3.292  -3.750 -10.999
   83   1HB   CYS  61          1HB       CYS  61   4.044  -4.125 -13.351
   84   2HB   CYS  61          2HB       CYS  61   4.822  -5.621 -12.833
   85    H    LYS  62           H        LYS  62   2.262  -5.656 -10.068
   86    HA   LYS  62           HA       LYS  62   4.018  -7.732  -8.877
   87   1HB   LYS  62          1HB       LYS  62   3.399  -5.414  -7.505
   88   2HB   LYS  62          2HB       LYS  62   2.134  -6.515  -6.960
   89   1HG   LYS  62          1HG       LYS  62   4.136  -8.208  -6.681
   90   2HG   LYS  62          2HG       LYS  62   5.108  -6.736  -6.625
   91   1HD   LYS  62          1HD       LYS  62   3.765  -5.875  -4.775
   92   2HD   LYS  62          2HD       LYS  62   2.700  -7.278  -4.863
   93   1HE   LYS  62          1HE       LYS  62   4.233  -7.777  -3.094
   94   2HE   LYS  62          2HE       LYS  62   4.846  -8.689  -4.488
   95   1HZ   LYS  62          1HZ       LYS  62   5.710  -5.951  -3.715
   96   2HZ   LYS  62          2HZ       LYS  62   6.603  -7.371  -3.438
   97   3HZ   LYS  62          3HZ       LYS  62   6.302  -6.849  -5.026
   98    H    ASP  63           H        ASP  63   2.563  -9.384  -7.688
   99    HA   ASP  63           HA       ASP  63   0.037  -9.738  -9.257
  100   1HB   ASP  63          1HB       ASP  63   2.207 -11.339  -9.024
  101   2HB   ASP  63          2HB       ASP  63   1.250 -11.940  -7.668
  102    H    GLN  64           H        GLN  64  -1.869  -9.577  -8.145
  103    HA   GLN  64           HA       GLN  64  -1.781  -9.668  -5.150
  104   1HB   GLN  64          1HB       GLN  64  -3.409  -8.189  -7.211
  105   2HB   GLN  64          2HB       GLN  64  -4.027  -8.385  -5.571
  106   1HG   GLN  64          1HG       GLN  64  -1.310  -7.222  -6.241
  107   2HG   GLN  64          2HG       GLN  64  -2.745  -6.259  -5.887
  108   1HE2  GLN  64          2HE2      GLN  64  -0.167  -8.119  -4.459
  109   2HE2  GLN  64          1HE2      GLN  64  -0.659  -7.941  -2.844
  110    H    LEU  65           H        LEU  65  -4.432 -10.064  -4.592
  111    HA   LEU  65           HA       LEU  65  -4.816 -12.866  -4.827
  112   1HB   LEU  65          1HB       LEU  65  -6.227 -10.496  -3.848
  113   2HB   LEU  65          2HB       LEU  65  -7.342 -11.720  -4.452
  114    HG   LEU  65           HG       LEU  65  -6.874 -12.044  -2.049
  115   1HD1  LEU  65          1HD1      LEU  65  -6.270 -14.035  -4.135
  116   2HD1  LEU  65          2HD1      LEU  65  -5.601 -14.433  -2.552
  117   3HD1  LEU  65          3HD1      LEU  65  -7.333 -14.156  -2.735
  118   1HD2  LEU  65          1HD2      LEU  65  -4.564 -11.073  -2.111
  119   2HD2  LEU  65          2HD2      LEU  65  -4.636 -12.626  -1.278
  120   3HD2  LEU  65          3HD2      LEU  65  -4.009 -12.536  -2.924
  121    H    GLN  66           H        GLN  66  -7.198 -10.607  -6.224
  122    HA   GLN  66           HA       GLN  66  -7.834 -12.523  -8.352
  123   1HB   GLN  66          1HB       GLN  66  -8.830  -9.889  -7.320
  124   2HB   GLN  66          2HB       GLN  66  -9.332 -10.406  -8.931
  125   1HG   GLN  66          1HG       GLN  66 -10.270 -12.452  -8.061
  126   2HG   GLN  66          2HG       GLN  66  -9.592 -12.142  -6.463
  127   1HE2  GLN  66          2HE2      GLN  66 -11.187 -11.424  -5.054
  128   2HE2  GLN  66          1HE2      GLN  66 -12.477 -10.403  -5.474
  129    H    SER  67           H        SER  67  -7.354  -9.011  -8.745
  130    HA   SER  67           HA       SER  67  -6.033  -9.471 -11.346
  131   1HB   SER  67          1HB       SER  67  -7.830  -7.745 -10.821
  132   2HB   SER  67          2HB       SER  67  -6.619  -6.886  -9.872
  133    HG   SER  67           HG       SER  67  -6.325  -7.624 -12.600
  134    H    TYR  68           H        TYR  68  -4.346  -7.164 -11.309
  135    HA   TYR  68           HA       TYR  68  -2.209  -8.059  -9.404
  136   1HB   TYR  68          1HB       TYR  68  -0.654  -7.272 -11.180
  137   2HB   TYR  68          2HB       TYR  68  -1.749  -8.515 -11.778
  138    HD1  TYR  68           HD1      TYR  68  -1.004  -4.887 -11.781
  139    HD2  TYR  68           HD2      TYR  68  -3.439  -8.017 -13.431
  140    HE1  TYR  68           HE1      TYR  68  -1.799  -3.338 -13.546
  141    HE2  TYR  68           HE2      TYR  68  -4.232  -6.470 -15.197
  142    HH   TYR  68           HH       TYR  68  -4.294  -3.495 -15.139
  143    H    ILE  69           H        ILE  69  -0.474  -5.997  -9.533
  144    HA   ILE  69           HA       ILE  69  -1.940  -3.452  -9.104
  145    HB   ILE  69           HB       ILE  69  -2.046  -4.767  -7.007
  146   1HG1  ILE  69          1HG1      ILE  69  -0.035  -2.696  -6.314
  147   2HG1  ILE  69          2HG1      ILE  69  -1.420  -2.141  -7.255
  148   1HG2  ILE  69          1HG2      ILE  69   0.134  -5.996  -7.492
  149   2HG2  ILE  69          2HG2      ILE  69   0.970  -4.553  -6.917
  150   3HG2  ILE  69          3HG2      ILE  69  -0.085  -5.455  -5.828
  151   1HD1  ILE  69          1HD1      ILE  69  -2.682  -3.711  -5.432
  152   2HD1  ILE  69          2HD1      ILE  69  -1.311  -3.154  -4.470
  153   3HD1  ILE  69          3HD1      ILE  69  -2.410  -1.983  -5.200
  154    H    CYS  70           H        CYS  70  -0.628  -1.681  -9.575
  155    HA   CYS  70           HA       CYS  70   2.252  -2.267 -10.171
  156   1HB   CYS  70          1HB       CYS  70   0.120  -0.608 -11.498
  157   2HB   CYS  70          2HB       CYS  70   1.824  -0.244 -11.773
  158    H    PHE  71           H        PHE  71   3.788  -0.807  -9.406
  159    HA   PHE  71           HA       PHE  71   2.783   1.407  -7.643
  160   1HB   PHE  71          1HB       PHE  71   5.248  -0.361  -7.470
  161   2HB   PHE  71          2HB       PHE  71   4.869   0.945  -6.347
  162    HD1  PHE  71           HD1      PHE  71   2.733   0.828  -4.991
  163    HD2  PHE  71           HD2      PHE  71   4.224  -2.498  -7.263
  164    HE1  PHE  71           HE1      PHE  71   1.292  -0.711  -3.685
  165    HE2  PHE  71           HE2      PHE  71   2.783  -4.037  -5.957
  166    HZ   PHE  71           HZ       PHE  71   1.317  -3.143  -4.168
  167    H    CYS  72           H        CYS  72   3.012   3.192  -9.013
  168    HA   CYS  72           HA       CYS  72   5.633   3.534 -10.427
  169   1HB   CYS  72          1HB       CYS  72   2.870   4.713 -10.852
  170   2HB   CYS  72          2HB       CYS  72   4.285   5.127 -11.819
  171    H    LEU  73           H        LEU  73   5.707   6.209 -10.803
  172    HA   LEU  73           HA       LEU  73   6.251   7.254  -8.099
  173   1HB   LEU  73          1HB       LEU  73   6.749   8.118 -10.952
  174   2HB   LEU  73          2HB       LEU  73   7.120   9.180  -9.595
  175    HG   LEU  73           HG       LEU  73   8.104   6.380  -9.395
  176   1HD1  LEU  73          1HD1      LEU  73   8.889   8.288 -11.542
  177   2HD1  LEU  73          2HD1      LEU  73  10.198   7.453 -10.707
  178   3HD1  LEU  73          3HD1      LEU  73   8.944   6.526 -11.529
  179   1HD2  LEU  73          1HD2      LEU  73   9.024   9.156  -8.653
  180   2HD2  LEU  73          2HD2      LEU  73   8.702   7.784  -7.594
  181   3HD2  LEU  73          3HD2      LEU  73  10.143   7.794  -8.610
  182    HA   PRO  74           HA       PRO  74   2.676   9.800  -7.762
  183   1HB   PRO  74          1HB       PRO  74   3.666  12.199  -6.876
  184   2HB   PRO  74          2HB       PRO  74   3.538  10.758  -5.846
  185   1HG   PRO  74          1HG       PRO  74   5.913  11.845  -7.291
  186   2HG   PRO  74          2HG       PRO  74   5.797  11.180  -5.652
  187   1HD   PRO  74          1HD       PRO  74   6.773   9.746  -7.717
  188   2HD   PRO  74          2HD       PRO  74   5.861   8.995  -6.387
  189    H    ALA  75           H        ALA  75   5.286  10.810  -9.834
  190    HA   ALA  75           HA       ALA  75   3.729  12.983 -11.093
  191   1HB   ALA  75          1HB       ALA  75   6.455  11.739 -11.557
  192   2HB   ALA  75          2HB       ALA  75   5.836  13.104 -12.485
  193   3HB   ALA  75          3HB       ALA  75   6.111  13.270 -10.751
  194    H    PHE  76           H        PHE  76   3.228   9.810 -11.259
  195    HA   PHE  76           HA       PHE  76   2.825   9.814 -14.233
  196   1HB   PHE  76          1HB       PHE  76   3.909   7.754 -12.319
  197   2HB   PHE  76          2HB       PHE  76   3.172   7.249 -13.840
  198    HD1  PHE  76           HD1      PHE  76   5.894   9.279 -12.337
  199    HD2  PHE  76           HD2      PHE  76   4.275   7.594 -15.940
  200    HE1  PHE  76           HE1      PHE  76   7.986   9.844 -13.541
  201    HE2  PHE  76           HE2      PHE  76   6.366   8.160 -17.146
  202    HZ   PHE  76           HZ       PHE  76   8.222   9.286 -15.946
  203    H    GLU  77           H        GLU  77   0.797   9.118 -14.908
  204    HA   GLU  77           HA       GLU  77  -1.076   8.020 -12.843
  205   1HB   GLU  77          1HB       GLU  77  -1.056  10.618 -13.673
  206   2HB   GLU  77          2HB       GLU  77  -2.150   9.911 -14.861
  207   1HG   GLU  77          1HG       GLU  77  -3.641   9.128 -13.176
  208   2HG   GLU  77          2HG       GLU  77  -2.461   9.416 -11.896
  209    H    GLY  78           H        GLY  78  -3.247   7.450 -14.189
  210   1HA   GLY  78          1HA       GLY  78  -4.077   6.611 -16.366
  211   2HA   GLY  78          2HA       GLY  78  -2.429   6.094 -16.725
  212    H    ARG  79           H        ARG  79  -4.823   4.420 -16.700
  213    HA   ARG  79           HA       ARG  79  -5.077   2.833 -14.339
  214   1HB   ARG  79          1HB       ARG  79  -6.539   2.927 -16.424
  215   2HB   ARG  79          2HB       ARG  79  -5.334   1.910 -17.215
  216   1HG   ARG  79          1HG       ARG  79  -5.618   0.316 -15.212
  217   2HG   ARG  79          2HG       ARG  79  -7.074   1.238 -14.841
  218   1HD   ARG  79          1HD       ARG  79  -8.230   0.363 -16.614
  219   2HD   ARG  79          2HD       ARG  79  -6.804   0.385 -17.673
  220    HE   ARG  79           HE       ARG  79  -6.061  -1.534 -15.935
  221   1HH1  ARG  79          1HH1      ARG  79  -8.957  -1.070 -17.815
  222   2HH1  ARG  79          2HH1      ARG  79  -9.462  -2.715 -17.642
  223   1HH2  ARG  79          1HH2      ARG  79  -6.815  -3.631 -15.612
  224   2HH2  ARG  79          2HH2      ARG  79  -8.262  -4.153 -16.409
  225    H    ASN  80           H        ASN  80  -2.756   2.733 -16.997
  226    HA   ASN  80           HA       ASN  80  -1.315   0.500 -15.597
  227   1HB   ASN  80          1HB       ASN  80  -1.826   1.141 -18.504
  228   2HB   ASN  80          2HB       ASN  80  -0.498   0.082 -18.028
  229   1HD2  ASN  80          2HD2      ASN  80  -1.541  -1.447 -15.994
  230   2HD2  ASN  80          1HD2      ASN  80  -2.907  -2.308 -16.519
  231    H    CYS  81           H        CYS  81  -0.975   3.389 -15.153
  232    HA   CYS  81           HA       CYS  81   0.747   5.002 -15.019
  233   1HB   CYS  81          1HB       CYS  81   2.183   2.357 -15.312
  234   2HB   CYS  81          2HB       CYS  81   3.058   3.861 -15.027
  235    H    GLU  82           H        GLU  82  -0.429   4.644 -17.646
  236    HA   GLU  82           HA       GLU  82   1.924   4.996 -19.464
  237   1HB   GLU  82          1HB       GLU  82   0.247   4.482 -21.231
  238   2HB   GLU  82          2HB       GLU  82   0.332   3.207 -20.018
  239   1HG   GLU  82          1HG       GLU  82  -1.698   3.893 -18.994
  240   2HG   GLU  82          2HG       GLU  82  -1.677   5.455 -19.815
  241    H    THR  83           H        THR  83   0.638   7.064 -17.596
  242    HA   THR  83           HA       THR  83   0.178   9.147 -19.698
  243    HB   THR  83           HB       THR  83  -1.400   8.776 -17.131
  244    HG1  THR  83           HG1      THR  83  -3.040   8.083 -18.545
  245   1HG2  THR  83          1HG2      THR  83  -1.423  10.760 -19.377
  246   2HG2  THR  83          2HG2      THR  83  -2.941  10.360 -18.574
  247   3HG2  THR  83          3HG2      THR  83  -1.602  11.034 -17.644
  248    H    HIS  84           H        HIS  84   2.323   9.951 -19.279
  249    HA   HIS  84           HA       HIS  84   3.422  10.511 -16.699
  250   1HB   HIS  84          1HB       HIS  84   4.422  10.477 -19.123
  251   2HB   HIS  84          2HB       HIS  84   3.947  12.176 -19.156
  252    HD1  HIS  84           HD1      HIS  84   6.801  10.251 -18.441
  253    HD2  HIS  84           HD2      HIS  84   4.943  13.403 -16.445
  254    HE1  HIS  84           HE1      HIS  84   8.541  11.242 -16.891
  255    H    LYS  85           H        LYS  85   2.541  11.892 -15.214
  256    HA   LYS  85           HA       LYS  85   0.520  13.834 -15.741
  257   1HB   LYS  85          1HB       LYS  85   2.517  13.455 -13.499
  258   2HB   LYS  85          2HB       LYS  85   1.199  14.624 -13.423
  259   1HG   LYS  85          1HG       LYS  85  -0.285  12.552 -14.094
  260   2HG   LYS  85          2HG       LYS  85   1.071  11.626 -13.448
  261   1HD   LYS  85          1HD       LYS  85   0.805  13.438 -11.468
  262   2HD   LYS  85          2HD       LYS  85  -0.866  13.387 -12.034
  263   1HE   LYS  85          1HE       LYS  85  -0.965  10.976 -11.707
  264   2HE   LYS  85          2HE       LYS  85   0.760  10.928 -11.292
  265   1HZ   LYS  85          1HZ       LYS  85  -1.288  12.531  -9.853
  266   2HZ   LYS  85          2HZ       LYS  85  -0.670  11.045  -9.309
  267   3HZ   LYS  85          3HZ       LYS  85   0.355  12.390  -9.441
  268    H    ASP  86           H        ASP  86   3.630  14.853 -14.382
  269    HA   ASP  86           HA       ASP  86   4.512  16.499 -16.563
  270   1HB   ASP  86          1HB       ASP  86   2.214  17.489 -15.534
  271   2HB   ASP  86          2HB       ASP  86   3.359  18.224 -14.413
  272    H    ASP  87           H        ASP  87   4.234  16.142 -13.050
  273    HA   ASP  87           HA       ASP  87   7.126  16.065 -12.700
  274   1HB   ASP  87          1HB       ASP  87   7.242  18.189 -11.401
  275   2HB   ASP  87          2HB       ASP  87   6.779  18.470 -13.077
  276    H    GLY  88           H        GLY  88   7.297  16.747 -10.017
  277   1HA   GLY  88          1HA       GLY  88   5.264  14.971  -8.721
  278   2HA   GLY  88          2HA       GLY  88   6.973  14.920  -8.285
  279    H    SER  89           H        SER  89   4.061  16.112  -7.297
  280    HA   SER  89           HA       SER  89   4.941  18.745  -6.326
  281   1HB   SER  89          1HB       SER  89   2.642  18.642  -5.273
  282   2HB   SER  89          2HB       SER  89   2.647  18.398  -7.017
  283    HG   SER  89           HG       SER  89   1.706  16.789  -5.160
  284    H    ALA  90           H        ALA  90   3.482  16.036  -4.508
  285    HA   ALA  90           HA       ALA  90   5.108  16.750  -2.137
  286   1HB   ALA  90          1HB       ALA  90   2.644  16.314  -2.068
  287   2HB   ALA  90          2HB       ALA  90   2.954  14.653  -2.573
  288   3HB   ALA  90          3HB       ALA  90   3.550  15.227  -1.016
  289    H1   FUC  91           H1       FUC  91   8.919  -1.029  -7.814
  290    H2   FUC  91           H2       FUC  91  10.907   0.444  -7.755
  291    H3   FUC  91           H3       FUC  91   9.976   1.281 -10.545
  292    H4   FUC  91           H4       FUC  91   9.721   3.502  -9.498
  293    H5   FUC  91           H5       FUC  91   7.807   1.937  -9.601
  294   1H6   FUC  91          1H6       FUC  91   6.546   2.695  -7.477
  295   2H6   FUC  91          2H6       FUC  91   8.033   3.594  -7.053
  296   3H6   FUC  91          3H6       FUC  91   7.152   3.984  -8.560
  297    HO2  FUC  91           HO2      FUC  91  10.753  -0.969 -10.246
  298    HO3  FUC  91           HO3      FUC  91  12.280   1.970  -8.981
  299    HO4  FUC  91           HO4      FUC  91  10.182   2.172  -7.007
  Start of MODEL   10
    1   1H    SER  45          1H        SER  45  -0.681 -15.006  -4.187
    2   2H    SER  45          2H        SER  45   0.862 -15.698  -4.019
    3   3H    SER  45          3H        SER  45   0.683 -14.011  -3.991
    4    HA   SER  45           HA       SER  45   0.144 -13.919  -6.288
    5   1HB   SER  45          1HB       SER  45   2.220 -15.204  -7.137
    6   2HB   SER  45          2HB       SER  45   2.482 -14.007  -5.871
    7    HG   SER  45           HG       SER  45   2.322 -16.825  -5.660
    8    H    ASP  46           H        ASP  46  -0.938 -14.879  -7.989
    9    HA   ASP  46           HA       ASP  46  -1.032 -17.790  -8.339
   10   1HB   ASP  46          1HB       ASP  46  -2.677 -16.917  -6.452
   11   2HB   ASP  46          2HB       ASP  46  -3.673 -16.457  -7.833
   12    H    GLY  47           H        GLY  47  -0.857 -17.893 -10.539
   13   1HA   GLY  47          1HA       GLY  47  -1.810 -17.695 -12.746
   14   2HA   GLY  47          2HA       GLY  47  -2.729 -16.294 -12.195
   15    H    ASP  48           H        ASP  48  -1.399 -16.005 -14.545
   16    HA   ASP  48           HA       ASP  48   1.128 -14.535 -13.886
   17   1HB   ASP  48          1HB       ASP  48   0.054 -16.101 -16.187
   18   2HB   ASP  48          2HB       ASP  48   1.116 -14.746 -16.572
   19    H    GLN  49           H        GLN  49   0.269 -12.490 -13.312
   20    HA   GLN  49           HA       GLN  49  -1.515 -11.141 -15.301
   21   1HB   GLN  49          1HB       GLN  49  -0.819 -10.563 -12.402
   22   2HB   GLN  49          2HB       GLN  49  -1.955  -9.621 -13.369
   23   1HG   GLN  49          1HG       GLN  49  -3.527 -11.342 -13.442
   24   2HG   GLN  49          2HG       GLN  49  -2.319 -12.594 -13.153
   25   1HE2  GLN  49          2HE2      GLN  49  -4.846 -11.055 -11.644
   26   2HE2  GLN  49          1HE2      GLN  49  -4.347 -11.209 -10.029
   27    H    CYS  50           H        CYS  50   1.616 -10.963 -13.698
   28    HA   CYS  50           HA       CYS  50   2.236  -8.438 -15.196
   29   1HB   CYS  50          1HB       CYS  50   3.402  -9.683 -12.684
   30   2HB   CYS  50          2HB       CYS  50   3.981  -8.187 -13.417
   31    H    ALA  51           H        ALA  51   2.358 -11.203 -16.291
   32    HA   ALA  51           HA       ALA  51   5.153 -12.036 -16.368
   33   1HB   ALA  51          1HB       ALA  51   2.541 -12.774 -17.621
   34   2HB   ALA  51          2HB       ALA  51   4.012 -13.329 -18.421
   35   3HB   ALA  51          3HB       ALA  51   3.689 -13.788 -16.748
   36    H    SER  52           H        SER  52   2.966 -10.344 -18.640
   37    HA   SER  52           HA       SER  52   5.283  -9.773 -20.430
   38   1HB   SER  52          1HB       SER  52   2.272  -9.650 -20.670
   39   2HB   SER  52          2HB       SER  52   3.331  -8.978 -21.906
   40    HG   SER  52           HG       SER  52   2.559 -11.386 -21.845
   41    H    SER  53           H        SER  53   4.583  -8.366 -17.756
   42    HA   SER  53           HA       SER  53   4.551  -6.161 -16.909
   43   1HB   SER  53          1HB       SER  53   6.688  -6.251 -18.148
   44   2HB   SER  53          2HB       SER  53   5.859  -5.745 -19.618
   45    HG   SER  53           HG       SER  53   6.118  -4.300 -17.184
   46    HA   PRO  54           HA       PRO  54   0.855  -5.000 -19.465
   47   1HB   PRO  54          1HB       PRO  54  -0.890  -4.759 -17.371
   48   2HB   PRO  54          2HB       PRO  54  -0.586  -6.299 -18.200
   49   1HG   PRO  54          1HG       PRO  54   0.480  -5.302 -15.608
   50   2HG   PRO  54          2HG       PRO  54  -0.030  -6.934 -16.068
   51   1HD   PRO  54          1HD       PRO  54   2.580  -6.147 -15.931
   52   2HD   PRO  54          2HD       PRO  54   1.997  -7.446 -16.994
   53    H    CYS  55           H        CYS  55   2.243  -3.722 -16.490
   54    HA   CYS  55           HA       CYS  55   0.991  -1.153 -16.431
   55   1HB   CYS  55          1HB       CYS  55   3.787  -2.009 -15.600
   56   2HB   CYS  55          2HB       CYS  55   2.949  -0.567 -15.031
   57    H    GLN  56           H        GLN  56   2.333   0.932 -16.867
   58    HA   GLN  56           HA       GLN  56   3.856   0.664 -19.441
   59   1HB   GLN  56          1HB       GLN  56   1.534   2.375 -18.613
   60   2HB   GLN  56          2HB       GLN  56   2.681   3.019 -19.787
   61   1HG   GLN  56          1HG       GLN  56   1.370   1.931 -21.301
   62   2HG   GLN  56          2HG       GLN  56   2.290   0.514 -20.795
   63   1HE2  GLN  56          2HE2      GLN  56   0.450  -0.931 -21.137
   64   2HE2  GLN  56          1HE2      GLN  56  -0.889  -0.916 -20.095
   65    H    ASN  57           H        ASN  57   5.034   2.879 -19.864
   66    HA   ASN  57           HA       ASN  57   6.769   4.330 -19.184
   67   1HB   ASN  57          1HB       ASN  57   4.614   4.560 -17.088
   68   2HB   ASN  57          2HB       ASN  57   6.090   5.517 -16.957
   69   1HD2  ASN  57          2HD2      ASN  57   2.990   5.731 -18.111
   70   2HD2  ASN  57          1HD2      ASN  57   3.228   6.844 -19.370
   71    H    GLY  58           H        GLY  58   7.063   1.497 -18.451
   72   1HA   GLY  58          1HA       GLY  58   8.522   0.178 -17.173
   73   2HA   GLY  58          2HA       GLY  58   9.307   1.682 -16.689
   74    H    GLY  59           H        GLY  59   5.897   1.084 -16.116
   75   1HA   GLY  59          1HA       GLY  59   6.152   1.661 -13.300
   76   2HA   GLY  59          2HA       GLY  59   4.693   1.070 -14.097
   77    H    SER  60           H        SER  60   5.695   0.164 -11.536
   78    HA   SER  60           HA       SER  60   6.842  -2.523 -12.029
   79   1HB   SER  60          1HB       SER  60   6.208  -0.776  -9.659
   80   2HB   SER  60          2HB       SER  60   6.567  -2.484  -9.425
   81    H    CYS  61           H        CYS  61   5.461  -4.186 -12.473
   82    HA   CYS  61           HA       CYS  61   2.590  -3.984 -11.793
   83   1HB   CYS  61          1HB       CYS  61   3.588  -4.751 -14.007
   84   2HB   CYS  61          2HB       CYS  61   4.119  -6.209 -13.168
   85    H    LYS  62           H        LYS  62   1.759  -4.927  -9.977
   86    HA   LYS  62           HA       LYS  62   3.405  -7.001  -8.565
   87   1HB   LYS  62          1HB       LYS  62   2.642  -4.543  -7.700
   88   2HB   LYS  62          2HB       LYS  62   1.259  -5.497  -7.163
   89   1HG   LYS  62          1HG       LYS  62   2.650  -5.778  -5.336
   90   2HG   LYS  62          2HG       LYS  62   3.176  -7.144  -6.320
   91   1HD   LYS  62          1HD       LYS  62   5.114  -6.017  -7.064
   92   2HD   LYS  62          2HD       LYS  62   4.484  -4.439  -6.588
   93   1HE   LYS  62          1HE       LYS  62   4.455  -5.710  -4.177
   94   2HE   LYS  62          2HE       LYS  62   5.858  -6.485  -4.941
   95   1HZ   LYS  62          1HZ       LYS  62   6.677  -4.289  -5.562
   96   2HZ   LYS  62          2HZ       LYS  62   5.359  -3.559  -4.784
   97   3HZ   LYS  62          3HZ       LYS  62   6.510  -4.417  -3.876
   98    H    ASP  63           H        ASP  63   2.376  -8.924  -7.983
   99    HA   ASP  63           HA       ASP  63  -0.204  -9.515  -9.284
  100   1HB   ASP  63          1HB       ASP  63   1.830 -11.003  -9.286
  101   2HB   ASP  63          2HB       ASP  63   1.604 -11.229  -7.551
  102    H    GLN  64           H        GLN  64  -2.027  -8.916  -8.170
  103    HA   GLN  64           HA       GLN  64  -2.047  -9.223  -5.186
  104   1HB   GLN  64          1HB       GLN  64  -3.386  -7.378  -7.161
  105   2HB   GLN  64          2HB       GLN  64  -4.046  -7.584  -5.539
  106   1HG   GLN  64          1HG       GLN  64  -1.470  -7.193  -4.884
  107   2HG   GLN  64          2HG       GLN  64  -1.504  -6.290  -6.400
  108   1HE2  GLN  64          2HE2      GLN  64  -3.421  -6.624  -3.357
  109   2HE2  GLN  64          1HE2      GLN  64  -3.866  -4.987  -3.289
  110    H    LEU  65           H        LEU  65  -4.722  -9.264  -4.695
  111    HA   LEU  65           HA       LEU  65  -5.516 -11.954  -5.377
  112   1HB   LEU  65          1HB       LEU  65  -6.142 -10.028  -3.490
  113   2HB   LEU  65          2HB       LEU  65  -7.607 -10.087  -4.467
  114    HG   LEU  65           HG       LEU  65  -7.736 -11.694  -2.605
  115   1HD1  LEU  65          1HD1      LEU  65  -8.430 -12.178  -5.169
  116   2HD1  LEU  65          2HD1      LEU  65  -7.312 -13.517  -4.913
  117   3HD1  LEU  65          3HD1      LEU  65  -8.720 -13.332  -3.867
  118   1HD2  LEU  65          1HD2      LEU  65  -5.074 -12.012  -2.869
  119   2HD2  LEU  65          2HD2      LEU  65  -6.098 -13.228  -2.105
  120   3HD2  LEU  65          3HD2      LEU  65  -5.613 -13.417  -3.790
  121    H    GLN  66           H        GLN  66  -7.120 -12.649  -6.840
  122    HA   GLN  66           HA       GLN  66  -8.394 -12.625  -8.815
  123   1HB   GLN  66          1HB       GLN  66  -9.085 -10.263  -7.203
  124   2HB   GLN  66          2HB       GLN  66  -9.468 -10.067  -8.913
  125   1HG   GLN  66          1HG       GLN  66 -11.385 -11.061  -7.788
  126   2HG   GLN  66          2HG       GLN  66 -10.658 -12.267  -8.849
  127   1HE2  GLN  66          2HE2      GLN  66 -11.260 -11.418  -5.489
  128   2HE2  GLN  66          1HE2      GLN  66 -10.653 -12.856  -4.821
  129    H    SER  67           H        SER  67  -7.687  -9.146  -9.037
  130    HA   SER  67           HA       SER  67  -6.294  -9.663 -11.618
  131   1HB   SER  67          1HB       SER  67  -7.229  -7.063 -10.371
  132   2HB   SER  67          2HB       SER  67  -6.844  -7.353 -12.066
  133    HG   SER  67           HG       SER  67  -9.171  -7.596 -10.911
  134    H    TYR  68           H        TYR  68  -4.828  -7.233 -11.685
  135    HA   TYR  68           HA       TYR  68  -2.805  -7.645  -9.505
  136   1HB   TYR  68          1HB       TYR  68  -1.113  -7.183 -11.275
  137   2HB   TYR  68          2HB       TYR  68  -2.093  -8.598 -11.657
  138    HD1  TYR  68           HD1      TYR  68  -1.438  -5.056 -12.476
  139    HD2  TYR  68           HD2      TYR  68  -3.700  -8.567 -13.481
  140    HE1  TYR  68           HE1      TYR  68  -2.130  -4.000 -14.612
  141    HE2  TYR  68           HE2      TYR  68  -4.391  -7.511 -15.616
  142    HH   TYR  68           HH       TYR  68  -3.263  -5.574 -17.156
  143    H    ILE  69           H        ILE  69  -1.129  -5.565 -10.038
  144    HA   ILE  69           HA       ILE  69  -2.748  -3.084 -10.250
  145    HB   ILE  69           HB       ILE  69  -2.875  -3.886  -7.914
  146   1HG1  ILE  69          1HG1      ILE  69  -0.980  -1.614  -7.651
  147   2HG1  ILE  69          2HG1      ILE  69  -2.348  -1.355  -8.736
  148   1HG2  ILE  69          1HG2      ILE  69   0.148  -3.646  -7.982
  149   2HG2  ILE  69          2HG2      ILE  69  -0.820  -3.984  -6.547
  150   3HG2  ILE  69          3HG2      ILE  69  -0.764  -5.151  -7.867
  151   1HD1  ILE  69          1HD1      ILE  69  -3.635  -2.517  -6.660
  152   2HD1  ILE  69          2HD1      ILE  69  -2.315  -1.733  -5.790
  153   3HD1  ILE  69          3HD1      ILE  69  -3.405  -0.772  -6.789
  154    H    CYS  70           H        CYS  70  -1.482  -1.280 -10.851
  155    HA   CYS  70           HA       CYS  70   1.364  -1.890 -11.561
  156   1HB   CYS  70          1HB       CYS  70  -0.818  -0.130 -12.668
  157   2HB   CYS  70          2HB       CYS  70   0.869   0.194 -13.066
  158    H    PHE  71           H        PHE  71   2.856  -0.927 -10.254
  159    HA   PHE  71           HA       PHE  71   2.093   1.349  -8.521
  160   1HB   PHE  71          1HB       PHE  71   4.418  -0.552  -8.810
  161   2HB   PHE  71          2HB       PHE  71   4.568   0.889  -7.804
  162    HD1  PHE  71           HD1      PHE  71   2.647  -2.251  -8.302
  163    HD2  PHE  71           HD2      PHE  71   3.471   1.051  -5.681
  164    HE1  PHE  71           HE1      PHE  71   1.435  -3.402  -6.470
  165    HE2  PHE  71           HE2      PHE  71   2.259  -0.099  -3.850
  166    HZ   PHE  71           HZ       PHE  71   1.241  -2.326  -4.244
  167    H    CYS  72           H        CYS  72   2.023   3.202  -9.825
  168    HA   CYS  72           HA       CYS  72   4.017   3.738 -11.892
  169   1HB   CYS  72          1HB       CYS  72   1.959   5.547 -10.583
  170   2HB   CYS  72          2HB       CYS  72   2.754   5.828 -12.127
  171    H    LEU  73           H        LEU  73   4.931   6.161 -11.732
  172    HA   LEU  73           HA       LEU  73   6.624   6.227  -9.292
  173   1HB   LEU  73          1HB       LEU  73   6.659   7.276 -12.094
  174   2HB   LEU  73          2HB       LEU  73   7.582   8.167 -10.885
  175    HG   LEU  73           HG       LEU  73   7.831   5.173 -11.233
  176   1HD1  LEU  73          1HD1      LEU  73   8.470   6.852 -13.236
  177   2HD1  LEU  73          2HD1      LEU  73   9.935   7.011 -12.266
  178   3HD1  LEU  73          3HD1      LEU  73   9.438   5.426 -12.858
  179   1HD2  LEU  73          1HD2      LEU  73   9.592   7.291  -9.958
  180   2HD2  LEU  73          2HD2      LEU  73   8.610   6.107  -9.094
  181   3HD2  LEU  73          3HD2      LEU  73   9.984   5.575 -10.064
  182    HA   PRO  74           HA       PRO  74   4.634   9.730  -7.508
  183   1HB   PRO  74          1HB       PRO  74   6.652  11.520  -6.998
  184   2HB   PRO  74          2HB       PRO  74   6.392  10.046  -6.043
  185   1HG   PRO  74          1HG       PRO  74   8.324  10.543  -8.264
  186   2HG   PRO  74          2HG       PRO  74   8.571   9.701  -6.723
  187   1HD   PRO  74          1HD       PRO  74   8.186   8.365  -9.024
  188   2HD   PRO  74          2HD       PRO  74   7.574   7.756  -7.471
  189    H    ALA  75           H        ALA  75   6.539  10.209 -10.385
  190    HA   ALA  75           HA       ALA  75   5.208  12.834 -10.916
  191   1HB   ALA  75          1HB       ALA  75   7.710  11.429 -11.809
  192   2HB   ALA  75          2HB       ALA  75   7.017  12.686 -12.833
  193   3HB   ALA  75          3HB       ALA  75   7.520  13.068 -11.187
  194    H    PHE  76           H        PHE  76   4.045   9.988 -11.220
  195    HA   PHE  76           HA       PHE  76   3.193  10.302 -14.077
  196   1HB   PHE  76          1HB       PHE  76   4.266   7.915 -12.580
  197   2HB   PHE  76          2HB       PHE  76   3.207   7.691 -13.971
  198    HD1  PHE  76           HD1      PHE  76   6.438   9.118 -12.842
  199    HD2  PHE  76           HD2      PHE  76   3.961   8.124 -16.207
  200    HE1  PHE  76           HE1      PHE  76   8.354   9.508 -14.368
  201    HE2  PHE  76           HE2      PHE  76   5.876   8.515 -17.733
  202    HZ   PHE  76           HZ       PHE  76   8.073   9.208 -16.813
  203    H    GLU  77           H        GLU  77   1.118   9.028 -14.471
  204    HA   GLU  77           HA       GLU  77  -0.528   8.519 -12.052
  205   1HB   GLU  77          1HB       GLU  77  -0.476  11.007 -13.141
  206   2HB   GLU  77          2HB       GLU  77  -1.754  10.274 -14.112
  207   1HG   GLU  77          1HG       GLU  77  -3.009  11.021 -12.317
  208   2HG   GLU  77          2HG       GLU  77  -2.583   9.413 -11.735
  209    H    GLY  78           H        GLY  78  -2.801   7.755 -12.829
  210   1HA   GLY  78          1HA       GLY  78  -4.117   6.750 -14.651
  211   2HA   GLY  78          2HA       GLY  78  -2.599   6.319 -15.441
  212    H    ARG  79           H        ARG  79  -4.883   4.594 -14.560
  213    HA   ARG  79           HA       ARG  79  -4.221   3.053 -12.249
  214   1HB   ARG  79          1HB       ARG  79  -6.238   3.151 -14.063
  215   2HB   ARG  79          2HB       ARG  79  -5.405   1.697 -14.616
  216   1HG   ARG  79          1HG       ARG  79  -5.904   0.517 -12.711
  217   2HG   ARG  79          2HG       ARG  79  -5.838   1.950 -11.683
  218   1HD   ARG  79          1HD       ARG  79  -8.148   1.417 -11.728
  219   2HD   ARG  79          2HD       ARG  79  -8.004   2.671 -12.977
  220    HE   ARG  79           HE       ARG  79  -7.511   0.459 -14.450
  221   1HH1  ARG  79          1HH1      ARG  79 -10.097   1.336 -12.286
  222   2HH1  ARG  79          2HH1      ARG  79 -11.166   0.123 -12.900
  223   1HH2  ARG  79          1HH2      ARG  79  -8.876  -1.199 -15.130
  224   2HH2  ARG  79          2HH2      ARG  79 -10.484  -1.298 -14.495
  225    H    ASN  80           H        ASN  80  -3.255   2.694 -15.660
  226    HA   ASN  80           HA       ASN  80  -1.356   0.518 -14.871
  227   1HB   ASN  80          1HB       ASN  80  -2.578   1.412 -17.501
  228   2HB   ASN  80          2HB       ASN  80  -1.370   0.132 -17.373
  229   1HD2  ASN  80          2HD2      ASN  80  -1.998  -1.859 -16.210
  230   2HD2  ASN  80          1HD2      ASN  80  -3.636  -2.238 -15.974
  231    H    CYS  81           H        CYS  81  -0.944   3.482 -14.490
  232    HA   CYS  81           HA       CYS  81   0.781   5.069 -14.779
  233   1HB   CYS  81          1HB       CYS  81   2.260   2.617 -15.793
  234   2HB   CYS  81          2HB       CYS  81   2.992   4.084 -15.154
  235    H    GLU  82           H        GLU  82  -1.050   5.098 -16.865
  236    HA   GLU  82           HA       GLU  82   0.630   5.269 -19.341
  237   1HB   GLU  82          1HB       GLU  82  -1.562   5.037 -20.496
  238   2HB   GLU  82          2HB       GLU  82  -1.254   3.691 -19.401
  239   1HG   GLU  82          1HG       GLU  82  -2.752   4.548 -17.759
  240   2HG   GLU  82          2HG       GLU  82  -2.828   6.125 -18.544
  241    H    THR  83           H        THR  83   0.145   7.342 -17.073
  242    HA   THR  83           HA       THR  83  -0.591   9.588 -18.909
  243    HB   THR  83           HB       THR  83  -1.515   9.220 -16.041
  244    HG1  THR  83           HG1      THR  83  -3.284   8.363 -16.833
  245   1HG2  THR  83          1HG2      THR  83  -1.875  11.329 -18.141
  246   2HG2  THR  83          2HG2      THR  83  -3.176  11.038 -16.987
  247   3HG2  THR  83          3HG2      THR  83  -1.578  11.514 -16.412
  248    H    HIS  84           H        HIS  84   1.464  10.495 -19.039
  249    HA   HIS  84           HA       HIS  84   3.282  10.663 -16.761
  250   1HB   HIS  84          1HB       HIS  84   3.608  10.615 -19.406
  251   2HB   HIS  84          2HB       HIS  84   3.513  12.366 -19.216
  252    HD1  HIS  84           HD1      HIS  84   6.137  10.554 -19.885
  253    HD2  HIS  84           HD2      HIS  84   5.195  12.381 -16.259
  254    HE1  HIS  84           HE1      HIS  84   8.322  10.833 -18.635
  255    H    LYS  85           H        LYS  85   3.024  12.140 -15.141
  256    HA   LYS  85           HA       LYS  85   1.283  14.486 -15.470
  257   1HB   LYS  85          1HB       LYS  85   2.864  13.170 -13.266
  258   2HB   LYS  85          2HB       LYS  85   2.152  14.766 -13.019
  259   1HG   LYS  85          1HG       LYS  85   0.510  12.470 -14.084
  260   2HG   LYS  85          2HG       LYS  85   0.731  12.709 -12.351
  261   1HD   LYS  85          1HD       LYS  85   0.029  15.191 -12.908
  262   2HD   LYS  85          2HD       LYS  85  -0.695  14.450 -14.336
  263   1HE   LYS  85          1HE       LYS  85  -1.742  12.756 -12.644
  264   2HE   LYS  85          2HE       LYS  85  -1.378  14.002 -11.434
  265   1HZ   LYS  85          1HZ       LYS  85  -2.488  15.632 -12.857
  266   2HZ   LYS  85          2HZ       LYS  85  -2.894  14.408 -13.958
  267   3HZ   LYS  85          3HZ       LYS  85  -3.554  14.393 -12.392
  268    H    ASP  86           H        ASP  86   4.534  14.292 -14.010
  269    HA   ASP  86           HA       ASP  86   6.380  15.743 -14.136
  270   1HB   ASP  86          1HB       ASP  86   5.202  15.594 -16.878
  271   2HB   ASP  86          2HB       ASP  86   6.439  16.817 -16.596
  272    H    ASP  87           H        ASP  87   4.428  17.738 -16.339
  273    HA   ASP  87           HA       ASP  87   3.691  19.957 -16.147
  274   1HB   ASP  87          1HB       ASP  87   2.126  18.843 -14.631
  275   2HB   ASP  87          2HB       ASP  87   3.283  18.954 -13.308
  276    H    GLY  88           H        GLY  88   4.879  19.964 -12.796
  277   1HA   GLY  88          1HA       GLY  88   6.955  20.852 -11.982
  278   2HA   GLY  88          2HA       GLY  88   7.316  21.433 -13.608
  279    H    SER  89           H        SER  89   6.461  23.441 -14.283
  280    HA   SER  89           HA       SER  89   4.654  24.966 -12.535
  281   1HB   SER  89          1HB       SER  89   6.365  26.691 -12.052
  282   2HB   SER  89          2HB       SER  89   6.852  25.124 -11.414
  283    HG   SER  89           HG       SER  89   8.239  26.622 -12.986
  284    H    ALA  90           H        ALA  90   3.796  26.788 -13.636
  285    HA   ALA  90           HA       ALA  90   4.775  27.229 -16.438
  286   1HB   ALA  90          1HB       ALA  90   2.561  25.860 -15.862
  287   2HB   ALA  90          2HB       ALA  90   1.883  27.481 -15.703
  288   3HB   ALA  90          3HB       ALA  90   2.606  26.972 -17.229
  289    H1   FUC  91           H1       FUC  91   8.731  -1.861  -8.327
  290    H2   FUC  91           H2       FUC  91  10.748  -0.430  -8.413
  291    H3   FUC  91           H3       FUC  91   9.662   0.388 -11.152
  292    H4   FUC  91           H4       FUC  91   9.518   2.627 -10.125
  293    H5   FUC  91           H5       FUC  91   7.569   1.102 -10.086
  294   1H6   FUC  91          1H6       FUC  91   7.944   3.286  -8.288
  295   2H6   FUC  91          2H6       FUC  91   6.398   2.602  -8.876
  296   3H6   FUC  91          3H6       FUC  91   7.125   1.995  -7.357
  297    HO2  FUC  91           HO2      FUC  91  11.786  -1.582 -10.062
  298    HO3  FUC  91           HO3      FUC  91  11.563   1.563 -11.294
  299    HO4  FUC  91           HO4      FUC  91  10.943   2.672  -8.470
  Start of MODEL   11
    1   1H    SER  45          1H        SER  45   2.224 -17.180 -10.240
    2   2H    SER  45          2H        SER  45   1.996 -15.692  -9.453
    3   3H    SER  45          3H        SER  45   3.526 -16.430  -9.456
    4    HA   SER  45           HA       SER  45   2.711 -18.241  -8.090
    5   1HB   SER  45          1HB       SER  45   1.959 -15.485  -7.068
    6   2HB   SER  45          2HB       SER  45   2.443 -16.864  -6.085
    7    HG   SER  45           HG       SER  45   4.433 -16.345  -6.469
    8    H    ASP  46           H        ASP  46   0.220 -15.682  -8.440
    9    HA   ASP  46           HA       ASP  46  -1.893 -17.540  -7.535
   10   1HB   ASP  46          1HB       ASP  46  -1.621 -14.618  -8.207
   11   2HB   ASP  46          2HB       ASP  46  -3.225 -15.337  -8.060
   12    H    GLY  47           H        GLY  47  -0.690 -16.104 -10.515
   13   1HA   GLY  47          1HA       GLY  47  -1.791 -17.983 -12.270
   14   2HA   GLY  47          2HA       GLY  47  -3.004 -16.707 -12.140
   15    H    ASP  48           H        ASP  48  -2.100 -16.885 -14.596
   16    HA   ASP  48           HA       ASP  48   0.315 -15.225 -15.008
   17   1HB   ASP  48          1HB       ASP  48  -0.680 -17.354 -16.293
   18   2HB   ASP  48          2HB       ASP  48  -1.518 -16.096 -17.203
   19    H    GLN  49           H        GLN  49  -0.283 -13.110 -14.368
   20    HA   GLN  49           HA       GLN  49  -2.378 -11.802 -16.065
   21   1HB   GLN  49          1HB       GLN  49  -1.907 -11.658 -13.077
   22   2HB   GLN  49          2HB       GLN  49  -2.912 -10.497 -13.941
   23   1HG   GLN  49          1HG       GLN  49  -4.477 -12.159 -14.588
   24   2HG   GLN  49          2HG       GLN  49  -3.372 -13.471 -14.175
   25   1HE2  GLN  49          2HE2      GLN  49  -2.635 -13.280 -11.678
   26   2HE2  GLN  49          1HE2      GLN  49  -3.909 -13.005 -10.591
   27    H    CYS  50           H        CYS  50   0.172 -11.041 -13.661
   28    HA   CYS  50           HA       CYS  50   0.965  -8.680 -15.316
   29   1HB   CYS  50          1HB       CYS  50   0.271  -8.661 -12.803
   30   2HB   CYS  50          2HB       CYS  50   1.875  -9.335 -12.521
   31    H    ALA  51           H        ALA  51   1.733 -11.578 -15.811
   32    HA   ALA  51           HA       ALA  51   4.626 -11.633 -15.186
   33   1HB   ALA  51          1HB       ALA  51   2.513 -13.471 -16.228
   34   2HB   ALA  51          2HB       ALA  51   4.187 -13.832 -16.648
   35   3HB   ALA  51          3HB       ALA  51   3.703 -13.741 -14.955
   36    H    SER  52           H        SER  52   3.197  -9.754 -17.292
   37    HA   SER  52           HA       SER  52   5.172 -10.297 -19.472
   38   1HB   SER  52          1HB       SER  52   2.231  -9.601 -19.755
   39   2HB   SER  52          2HB       SER  52   3.364  -9.803 -21.090
   40    HG   SER  52           HG       SER  52   1.934 -11.660 -20.042
   41    H    SER  53           H        SER  53   4.907  -8.289 -17.168
   42    HA   SER  53           HA       SER  53   5.228  -5.977 -16.817
   43   1HB   SER  53          1HB       SER  53   6.230  -6.186 -19.673
   44   2HB   SER  53          2HB       SER  53   6.710  -4.983 -18.480
   45    HG   SER  53           HG       SER  53   7.940  -7.157 -18.893
   46    HA   PRO  54           HA       PRO  54   1.490  -4.973 -19.503
   47   1HB   PRO  54          1HB       PRO  54  -0.370  -4.792 -17.506
   48   2HB   PRO  54          2HB       PRO  54  -0.022  -6.304 -18.366
   49   1HG   PRO  54          1HG       PRO  54   0.898  -5.396 -15.687
   50   2HG   PRO  54          2HG       PRO  54   0.407  -7.009 -16.227
   51   1HD   PRO  54          1HD       PRO  54   3.010  -6.247 -15.919
   52   2HD   PRO  54          2HD       PRO  54   2.480  -7.504 -17.059
   53    H    CYS  55           H        CYS  55   2.869  -3.753 -16.520
   54    HA   CYS  55           HA       CYS  55   1.552  -1.229 -16.315
   55   1HB   CYS  55          1HB       CYS  55   4.429  -1.976 -15.675
   56   2HB   CYS  55          2HB       CYS  55   3.542  -0.619 -14.991
   57    H    GLN  56           H        GLN  56   2.332   0.890 -17.025
   58    HA   GLN  56           HA       GLN  56   3.988   0.763 -19.527
   59   1HB   GLN  56          1HB       GLN  56   1.342   1.410 -19.246
   60   2HB   GLN  56          2HB       GLN  56   2.092   3.000 -19.122
   61   1HG   GLN  56          1HG       GLN  56   2.727   3.010 -21.307
   62   2HG   GLN  56          2HG       GLN  56   3.185   1.308 -21.283
   63   1HE2  GLN  56          2HE2      GLN  56   1.158  -0.241 -21.113
   64   2HE2  GLN  56          1HE2      GLN  56  -0.181   0.189 -22.065
   65    H    ASN  57           H        ASN  57   5.016   2.968 -20.016
   66    HA   ASN  57           HA       ASN  57   6.575   4.623 -19.377
   67   1HB   ASN  57          1HB       ASN  57   4.254   4.861 -17.471
   68   2HB   ASN  57          2HB       ASN  57   5.634   5.950 -17.328
   69   1HD2  ASN  57          2HD2      ASN  57   2.920   6.750 -18.149
   70   2HD2  ASN  57          1HD2      ASN  57   3.048   7.356 -19.729
   71    H    GLY  58           H        GLY  58   7.292   2.031 -18.486
   72   1HA   GLY  58          1HA       GLY  58   8.790   1.004 -17.001
   73   2HA   GLY  58          2HA       GLY  58   9.204   2.625 -16.444
   74    H    GLY  59           H        GLY  59   5.920   1.393 -16.322
   75   1HA   GLY  59          1HA       GLY  59   5.650   2.005 -13.526
   76   2HA   GLY  59          2HA       GLY  59   4.485   1.092 -14.488
   77    H    SER  60           H        SER  60   5.473   0.544 -11.746
   78    HA   SER  60           HA       SER  60   7.128  -1.893 -12.029
   79   1HB   SER  60          1HB       SER  60   6.006  -0.210  -9.800
   80   2HB   SER  60          2HB       SER  60   6.661  -1.807  -9.452
   81    H    CYS  61           H        CYS  61   6.269  -3.929 -12.080
   82    HA   CYS  61           HA       CYS  61   3.334  -4.259 -11.946
   83   1HB   CYS  61          1HB       CYS  61   4.350  -5.289 -13.807
   84   2HB   CYS  61          2HB       CYS  61   5.735  -5.830 -12.877
   85    H    LYS  62           H        LYS  62   2.289  -5.477 -10.371
   86    HA   LYS  62           HA       LYS  62   3.893  -6.853  -8.277
   87   1HB   LYS  62          1HB       LYS  62   2.864  -4.237  -8.030
   88   2HB   LYS  62          2HB       LYS  62   1.744  -5.255  -7.124
   89   1HG   LYS  62          1HG       LYS  62   4.165  -6.278  -6.332
   90   2HG   LYS  62          2HG       LYS  62   4.559  -4.572  -6.546
   91   1HD   LYS  62          1HD       LYS  62   3.754  -4.409  -4.410
   92   2HD   LYS  62          2HD       LYS  62   2.197  -4.340  -5.236
   93   1HE   LYS  62          1HE       LYS  62   1.917  -6.772  -4.965
   94   2HE   LYS  62          2HE       LYS  62   3.499  -6.871  -4.165
   95   1HZ   LYS  62          1HZ       LYS  62   1.281  -5.114  -3.261
   96   2HZ   LYS  62          2HZ       LYS  62   1.613  -6.635  -2.590
   97   3HZ   LYS  62          3HZ       LYS  62   2.758  -5.385  -2.466
   98    H    ASP  63           H        ASP  63   2.858  -8.718  -7.633
   99    HA   ASP  63           HA       ASP  63   0.327  -9.454  -8.920
  100   1HB   ASP  63          1HB       ASP  63   0.805 -11.625  -7.809
  101   2HB   ASP  63          2HB       ASP  63   2.218 -11.015  -8.668
  102    H    GLN  64           H        GLN  64  -1.661  -9.745  -7.886
  103    HA   GLN  64           HA       GLN  64  -1.872  -9.317  -4.956
  104   1HB   GLN  64          1HB       GLN  64  -2.897  -7.517  -7.147
  105   2HB   GLN  64          2HB       GLN  64  -3.724  -7.581  -5.589
  106   1HG   GLN  64          1HG       GLN  64  -1.184  -7.323  -4.720
  107   2HG   GLN  64          2HG       GLN  64  -1.041  -6.488  -6.267
  108   1HE2  GLN  64          2HE2      GLN  64  -3.504  -5.217  -6.517
  109   2HE2  GLN  64          1HE2      GLN  64  -3.734  -4.128  -5.235
  110    H    LEU  65           H        LEU  65  -4.582  -9.151  -4.702
  111    HA   LEU  65           HA       LEU  65  -5.482 -11.827  -5.472
  112   1HB   LEU  65          1HB       LEU  65  -6.215  -9.633  -3.666
  113   2HB   LEU  65          2HB       LEU  65  -7.623 -10.409  -4.384
  114    HG   LEU  65           HG       LEU  65  -7.008 -11.516  -2.276
  115   1HD1  LEU  65          1HD1      LEU  65  -7.813 -12.780  -4.414
  116   2HD1  LEU  65          2HD1      LEU  65  -6.169 -13.415  -4.455
  117   3HD1  LEU  65          3HD1      LEU  65  -7.196 -13.718  -3.053
  118   1HD2  LEU  65          1HD2      LEU  65  -4.324 -11.412  -3.518
  119   2HD2  LEU  65          2HD2      LEU  65  -4.777 -11.428  -1.816
  120   3HD2  LEU  65          3HD2      LEU  65  -4.710 -12.937  -2.724
  121    H    GLN  66           H        GLN  66  -7.520 -12.184  -6.661
  122    HA   GLN  66           HA       GLN  66  -8.893 -11.918  -8.550
  123   1HB   GLN  66          1HB       GLN  66  -8.730  -9.243  -7.218
  124   2HB   GLN  66          2HB       GLN  66  -9.501  -9.323  -8.802
  125   1HG   GLN  66          1HG       GLN  66 -11.238 -10.650  -8.047
  126   2HG   GLN  66          2HG       GLN  66 -10.267 -11.373  -6.764
  127   1HE2  GLN  66          2HE2      GLN  66 -11.666  -8.176  -7.686
  128   2HE2  GLN  66          1HE2      GLN  66 -11.977  -7.688  -6.091
  129    H    SER  67           H        SER  67  -7.347  -8.748  -9.022
  130    HA   SER  67           HA       SER  67  -6.149  -9.814 -11.555
  131   1HB   SER  67          1HB       SER  67  -6.542  -7.609 -12.431
  132   2HB   SER  67          2HB       SER  67  -8.005  -8.063 -11.563
  133    HG   SER  67           HG       SER  67  -6.514  -5.948 -11.174
  134    H    TYR  68           H        TYR  68  -4.512  -7.507 -11.994
  135    HA   TYR  68           HA       TYR  68  -2.434  -7.896  -9.866
  136   1HB   TYR  68          1HB       TYR  68  -0.846  -7.399 -11.708
  137   2HB   TYR  68          2HB       TYR  68  -1.893  -8.754 -12.121
  138    HD1  TYR  68           HD1      TYR  68  -1.265  -5.144 -12.688
  139    HD2  TYR  68           HD2      TYR  68  -3.496  -8.602 -13.917
  140    HE1  TYR  68           HE1      TYR  68  -2.029  -3.932 -14.711
  141    HE2  TYR  68           HE2      TYR  68  -4.258  -7.392 -15.941
  142    HH   TYR  68           HH       TYR  68  -4.184  -4.187 -16.300
  143    H    ILE  69           H        ILE  69  -0.795  -5.821 -10.188
  144    HA   ILE  69           HA       ILE  69  -2.380  -3.315 -10.381
  145    HB   ILE  69           HB       ILE  69  -2.639  -4.216  -8.094
  146   1HG1  ILE  69          1HG1      ILE  69  -0.767  -1.965  -7.614
  147   2HG1  ILE  69          2HG1      ILE  69  -2.050  -1.652  -8.783
  148   1HG2  ILE  69          1HG2      ILE  69   0.386  -4.017  -8.017
  149   2HG2  ILE  69          2HG2      ILE  69  -0.639  -4.329  -6.617
  150   3HG2  ILE  69          3HG2      ILE  69  -0.568  -5.498  -7.935
  151   1HD1  ILE  69          1HD1      ILE  69  -3.486  -2.894  -6.854
  152   2HD1  ILE  69          2HD1      ILE  69  -2.234  -2.145  -5.861
  153   3HD1  ILE  69          3HD1      ILE  69  -3.250  -1.146  -6.900
  154    H    CYS  70           H        CYS  70  -1.123  -1.599 -11.063
  155    HA   CYS  70           HA       CYS  70   1.805  -2.113 -11.443
  156   1HB   CYS  70          1HB       CYS  70  -0.327  -0.548 -12.888
  157   2HB   CYS  70          2HB       CYS  70   1.375  -0.163 -13.137
  158    H    PHE  71           H        PHE  71   3.119  -0.956 -10.085
  159    HA   PHE  71           HA       PHE  71   2.045   1.368  -8.597
  160   1HB   PHE  71          1HB       PHE  71   4.495  -0.384  -8.522
  161   2HB   PHE  71          2HB       PHE  71   4.466   1.132  -7.621
  162    HD1  PHE  71           HD1      PHE  71   2.389  -1.932  -8.215
  163    HD2  PHE  71           HD2      PHE  71   3.560   1.155  -5.468
  164    HE1  PHE  71           HE1      PHE  71   1.075  -3.028  -6.423
  165    HE2  PHE  71           HE2      PHE  71   2.245   0.058  -3.676
  166    HZ   PHE  71           HZ       PHE  71   1.001  -2.034  -4.152
  167    H    CYS  72           H        CYS  72   1.929   3.008 -10.207
  168    HA   CYS  72           HA       CYS  72   3.975   3.615 -12.118
  169   1HB   CYS  72          1HB       CYS  72   1.929   5.435 -10.803
  170   2HB   CYS  72          2HB       CYS  72   2.733   5.728 -12.342
  171    H    LEU  73           H        LEU  73   4.969   5.984 -12.001
  172    HA   LEU  73           HA       LEU  73   6.743   6.033  -9.648
  173   1HB   LEU  73          1HB       LEU  73   6.515   7.297 -12.351
  174   2HB   LEU  73          2HB       LEU  73   7.488   8.134 -11.143
  175    HG   LEU  73           HG       LEU  73   7.843   5.191 -11.733
  176   1HD1  LEU  73          1HD1      LEU  73   8.981   7.610 -13.117
  177   2HD1  LEU  73          2HD1      LEU  73   9.925   6.125 -13.007
  178   3HD1  LEU  73          3HD1      LEU  73   8.362   6.119 -13.826
  179   1HD2  LEU  73          1HD2      LEU  73   8.722   6.300  -9.597
  180   2HD2  LEU  73          2HD2      LEU  73   9.919   5.455 -10.578
  181   3HD2  LEU  73          3HD2      LEU  73   9.811   7.214 -10.640
  182    HA   PRO  74           HA       PRO  74   4.738   9.279  -7.445
  183   1HB   PRO  74          1HB       PRO  74   6.706  11.126  -6.941
  184   2HB   PRO  74          2HB       PRO  74   6.587   9.571  -6.091
  185   1HG   PRO  74          1HG       PRO  74   8.317  10.335  -8.401
  186   2HG   PRO  74          2HG       PRO  74   8.721   9.393  -6.956
  187   1HD   PRO  74          1HD       PRO  74   8.223   8.217  -9.321
  188   2HD   PRO  74          2HD       PRO  74   7.758   7.460  -7.781
  189    H    ALA  75           H        ALA  75   6.442  10.105 -10.379
  190    HA   ALA  75           HA       ALA  75   4.901  12.657 -10.625
  191   1HB   ALA  75          1HB       ALA  75   7.382  11.523 -11.943
  192   2HB   ALA  75          2HB       ALA  75   6.603  13.005 -12.497
  193   3HB   ALA  75          3HB       ALA  75   7.279  12.918 -10.870
  194    H    PHE  76           H        PHE  76   3.930   9.777 -11.117
  195    HA   PHE  76           HA       PHE  76   2.942  10.243 -13.908
  196   1HB   PHE  76          1HB       PHE  76   4.245   7.837 -12.643
  197   2HB   PHE  76          2HB       PHE  76   3.142   7.636 -14.004
  198    HD1  PHE  76           HD1      PHE  76   6.301   9.245 -12.901
  199    HD2  PHE  76           HD2      PHE  76   3.773   8.254 -16.229
  200    HE1  PHE  76           HE1      PHE  76   8.114   9.883 -14.468
  201    HE2  PHE  76           HE2      PHE  76   5.585   8.892 -17.796
  202    HZ   PHE  76           HZ       PHE  76   7.756   9.707 -16.916
  203    H    GLU  77           H        GLU  77   0.910   8.988 -14.334
  204    HA   GLU  77           HA       GLU  77  -0.580   8.065 -11.935
  205   1HB   GLU  77          1HB       GLU  77  -0.694  10.679 -12.657
  206   2HB   GLU  77          2HB       GLU  77  -1.984  10.029 -13.670
  207   1HG   GLU  77          1HG       GLU  77  -2.597   8.787 -11.364
  208   2HG   GLU  77          2HG       GLU  77  -1.822  10.227 -10.704
  209    H    GLY  78           H        GLY  78  -2.896   7.371 -12.742
  210   1HA   GLY  78          1HA       GLY  78  -4.241   6.558 -14.633
  211   2HA   GLY  78          2HA       GLY  78  -2.741   6.284 -15.520
  212    H    ARG  79           H        ARG  79  -4.871   4.343 -14.935
  213    HA   ARG  79           HA       ARG  79  -4.186   2.544 -12.821
  214   1HB   ARG  79          1HB       ARG  79  -5.780   2.581 -15.311
  215   2HB   ARG  79          2HB       ARG  79  -5.251   0.974 -14.813
  216   1HG   ARG  79          1HG       ARG  79  -6.152   1.459 -12.518
  217   2HG   ARG  79          2HG       ARG  79  -6.818   2.964 -13.151
  218   1HD   ARG  79          1HD       ARG  79  -8.663   1.636 -13.539
  219   2HD   ARG  79          2HD       ARG  79  -7.761   1.195 -15.003
  220    HE   ARG  79           HE       ARG  79  -7.107  -0.349 -12.574
  221   1HH1  ARG  79          1HH1      ARG  79  -9.192  -0.157 -15.358
  222   2HH1  ARG  79          2HH1      ARG  79  -9.269  -1.873 -15.553
  223   1HH2  ARG  79          1HH2      ARG  79  -7.116  -2.572 -12.937
  224   2HH2  ARG  79          2HH2      ARG  79  -8.108  -3.230 -14.197
  225    H    ASN  80           H        ASN  80  -3.157   2.634 -16.240
  226    HA   ASN  80           HA       ASN  80  -1.133   0.509 -15.668
  227   1HB   ASN  80          1HB       ASN  80  -2.232   1.698 -18.238
  228   2HB   ASN  80          2HB       ASN  80  -1.077   0.368 -18.156
  229   1HD2  ASN  80          2HD2      ASN  80  -2.123  -1.180 -16.062
  230   2HD2  ASN  80          1HD2      ASN  80  -3.671  -1.738 -16.481
  231    H    CYS  81           H        CYS  81  -0.930   3.435 -14.906
  232    HA   CYS  81           HA       CYS  81   0.701   5.142 -14.927
  233   1HB   CYS  81          1HB       CYS  81   2.362   2.900 -16.130
  234   2HB   CYS  81          2HB       CYS  81   2.986   4.329 -15.313
  235    H    GLU  82           H        GLU  82  -1.040   5.261 -17.114
  236    HA   GLU  82           HA       GLU  82   0.742   5.832 -19.453
  237   1HB   GLU  82          1HB       GLU  82  -1.373   5.622 -20.741
  238   2HB   GLU  82          2HB       GLU  82  -1.047   4.177 -19.786
  239   1HG   GLU  82          1HG       GLU  82  -2.546   6.033 -18.169
  240   2HG   GLU  82          2HG       GLU  82  -3.368   5.837 -19.716
  241    H    THR  83           H        THR  83   0.081   7.602 -17.004
  242    HA   THR  83           HA       THR  83  -0.795   9.991 -18.587
  243    HB   THR  83           HB       THR  83  -1.597   9.311 -15.743
  244    HG1  THR  83           HG1      THR  83  -3.157   8.196 -16.566
  245   1HG2  THR  83          1HG2      THR  83  -2.414  11.445 -17.722
  246   2HG2  THR  83          2HG2      THR  83  -3.361  11.067 -16.282
  247   3HG2  THR  83          3HG2      THR  83  -1.711  11.670 -16.120
  248    H    HIS  84           H        HIS  84   1.041  11.240 -18.615
  249    HA   HIS  84           HA       HIS  84   3.001  11.184 -16.432
  250   1HB   HIS  84          1HB       HIS  84   3.080  11.615 -19.116
  251   2HB   HIS  84          2HB       HIS  84   3.059  13.281 -18.539
  252    HD1  HIS  84           HD1      HIS  84   5.526  11.358 -19.719
  253    HD2  HIS  84           HD2      HIS  84   4.996  12.874 -15.872
  254    HE1  HIS  84           HE1      HIS  84   7.816  11.385 -18.637
  255    H    LYS  85           H        LYS  85   2.630  12.346 -14.589
  256    HA   LYS  85           HA       LYS  85   0.686  14.507 -14.438
  257   1HB   LYS  85          1HB       LYS  85   2.818  13.448 -12.555
  258   2HB   LYS  85          2HB       LYS  85   1.586  14.624 -12.092
  259   1HG   LYS  85          1HG       LYS  85  -0.126  12.904 -12.963
  260   2HG   LYS  85          2HG       LYS  85   1.204  11.747 -12.923
  261   1HD   LYS  85          1HD       LYS  85   0.094  11.553 -10.811
  262   2HD   LYS  85          2HD       LYS  85   1.580  12.452 -10.503
  263   1HE   LYS  85          1HE       LYS  85   0.453  14.470 -10.177
  264   2HE   LYS  85          2HE       LYS  85  -0.936  13.968 -11.163
  265   1HZ   LYS  85          1HZ       LYS  85  -1.355  12.216  -9.471
  266   2HZ   LYS  85          2HZ       LYS  85  -0.166  12.931  -8.489
  267   3HZ   LYS  85          3HZ       LYS  85  -1.570  13.796  -8.883
  268    H    ASP  86           H        ASP  86   4.207  14.297 -14.710
  269    HA   ASP  86           HA       ASP  86   4.639  17.162 -14.265
  270   1HB   ASP  86          1HB       ASP  86   6.179  15.112 -13.821
  271   2HB   ASP  86          2HB       ASP  86   6.546  15.203 -15.543
  272    H    ASP  87           H        ASP  87   2.790  17.278 -16.160
  273    HA   ASP  87           HA       ASP  87   2.294  17.994 -18.357
  274   1HB   ASP  87          1HB       ASP  87   4.307  19.466 -17.350
  275   2HB   ASP  87          2HB       ASP  87   5.154  18.759 -18.725
  276    H    GLY  88           H        GLY  88   3.277  17.842 -20.748
  277   1HA   GLY  88          1HA       GLY  88   4.811  15.323 -21.107
  278   2HA   GLY  88          2HA       GLY  88   3.216  15.434 -21.855
  279    H    SER  89           H        SER  89   5.775  15.168 -23.233
  280    HA   SER  89           HA       SER  89   5.868  17.789 -24.695
  281   1HB   SER  89          1HB       SER  89   7.962  17.415 -23.643
  282   2HB   SER  89          2HB       SER  89   7.925  15.691 -23.999
  283    HG   SER  89           HG       SER  89   8.155  17.809 -25.881
  284    H    ALA  90           H        ALA  90   6.473  14.286 -25.188
  285    HA   ALA  90           HA       ALA  90   5.671  14.577 -28.045
  286   1HB   ALA  90          1HB       ALA  90   7.823  13.513 -27.461
  287   2HB   ALA  90          2HB       ALA  90   6.971  12.328 -26.472
  288   3HB   ALA  90          3HB       ALA  90   6.742  12.345 -28.220
  289    H1   FUC  91           H1       FUC  91   8.760  -1.116  -8.420
  290    H2   FUC  91           H2       FUC  91  10.451   0.682  -8.232
  291    H3   FUC  91           H3       FUC  91   9.172   1.717 -10.810
  292    H4   FUC  91           H4       FUC  91   8.604   3.677  -9.423
  293    H5   FUC  91           H5       FUC  91   7.000   1.810  -9.671
  294   1H6   FUC  91          1H6       FUC  91   6.931   3.714  -7.579
  295   2H6   FUC  91          2H6       FUC  91   6.494   2.158  -6.811
  296   3H6   FUC  91          3H6       FUC  91   5.557   2.758  -8.214
  297    HO2  FUC  91           HO2      FUC  91  11.694  -0.150  -9.811
  298    HO3  FUC  91           HO3      FUC  91  11.430   2.064 -10.768
  299    HO4  FUC  91           HO4      FUC  91   9.491   2.117  -7.193
  Start of MODEL   12
    1   1H    SER  45          1H        SER  45  -1.087 -14.191  -6.201
    2   2H    SER  45          2H        SER  45   0.360 -13.520  -6.787
    3   3H    SER  45          3H        SER  45  -1.079 -13.333  -7.666
    4    HA   SER  45           HA       SER  45   0.183 -15.024  -8.758
    5   1HB   SER  45          1HB       SER  45   0.314 -16.220  -5.972
    6   2HB   SER  45          2HB       SER  45   1.051 -16.904  -7.418
    7    HG   SER  45           HG       SER  45   2.210 -15.303  -5.819
    8    H    ASP  46           H        ASP  46  -2.051 -15.063  -9.592
    9    HA   ASP  46           HA       ASP  46  -3.412 -17.591  -9.033
   10   1HB   ASP  46          1HB       ASP  46  -4.046 -15.938  -7.184
   11   2HB   ASP  46          2HB       ASP  46  -4.877 -15.010  -8.433
   12    H    GLY  47           H        GLY  47  -2.328 -16.636 -11.414
   13   1HA   GLY  47          1HA       GLY  47  -3.904 -17.107 -13.477
   14   2HA   GLY  47          2HA       GLY  47  -4.608 -15.563 -12.995
   15    H    ASP  48           H        ASP  48  -3.633 -15.529 -15.470
   16    HA   ASP  48           HA       ASP  48  -0.825 -14.520 -15.370
   17   1HB   ASP  48          1HB       ASP  48  -2.720 -15.516 -17.496
   18   2HB   ASP  48          2HB       ASP  48  -1.253 -14.640 -17.934
   19    H    GLN  49           H        GLN  49  -1.526 -12.468 -14.329
   20    HA   GLN  49           HA       GLN  49  -3.028 -10.628 -16.159
   21   1HB   GLN  49          1HB       GLN  49  -2.456 -10.555 -13.177
   22   2HB   GLN  49          2HB       GLN  49  -3.405  -9.353 -14.052
   23   1HG   GLN  49          1HG       GLN  49  -5.160 -10.688 -13.457
   24   2HG   GLN  49          2HG       GLN  49  -4.653 -11.630 -14.859
   25   1HE2  GLN  49          2HE2      GLN  49  -5.948 -12.747 -12.471
   26   2HE2  GLN  49          1HE2      GLN  49  -4.841 -13.824 -11.767
   27    H    CYS  50           H        CYS  50  -0.310 -10.602 -13.821
   28    HA   CYS  50           HA       CYS  50   1.010  -8.491 -15.498
   29   1HB   CYS  50          1HB       CYS  50   0.106  -8.102 -13.053
   30   2HB   CYS  50          2HB       CYS  50   1.562  -8.977 -12.581
   31    H    ALA  51           H        ALA  51   1.248 -11.353 -15.926
   32    HA   ALA  51           HA       ALA  51   3.747 -12.291 -14.732
   33   1HB   ALA  51          1HB       ALA  51   1.619 -13.225 -16.557
   34   2HB   ALA  51          2HB       ALA  51   3.211 -13.916 -16.870
   35   3HB   ALA  51          3HB       ALA  51   2.468 -14.098 -15.281
   36    H    SER  52           H        SER  52   2.933 -10.330 -17.495
   37    HA   SER  52           HA       SER  52   5.643 -10.813 -18.674
   38   1HB   SER  52          1HB       SER  52   4.482  -9.694 -20.677
   39   2HB   SER  52          2HB       SER  52   3.891 -11.289 -20.225
   40    HG   SER  52           HG       SER  52   2.410  -9.272 -20.519
   41    H    SER  53           H        SER  53   3.438  -8.023 -18.938
   42    HA   SER  53           HA       SER  53   4.815  -6.222 -17.232
   43   1HB   SER  53          1HB       SER  53   6.754  -6.442 -18.592
   44   2HB   SER  53          2HB       SER  53   5.808  -6.460 -20.077
   45    HG   SER  53           HG       SER  53   6.237  -4.401 -20.097
   46    HA   PRO  54           HA       PRO  54   0.962  -4.766 -19.451
   47   1HB   PRO  54          1HB       PRO  54  -0.641  -4.537 -17.248
   48   2HB   PRO  54          2HB       PRO  54  -0.503  -6.038 -18.186
   49   1HG   PRO  54          1HG       PRO  54   0.773  -5.295 -15.605
   50   2HG   PRO  54          2HG       PRO  54   0.117  -6.851 -16.136
   51   1HD   PRO  54          1HD       PRO  54   2.786  -6.261 -16.103
   52   2HD   PRO  54          2HD       PRO  54   2.050  -7.449 -17.202
   53    H    CYS  55           H        CYS  55   2.688  -3.785 -16.551
   54    HA   CYS  55           HA       CYS  55   1.619  -1.173 -16.156
   55   1HB   CYS  55          1HB       CYS  55   4.453  -2.204 -15.773
   56   2HB   CYS  55          2HB       CYS  55   3.764  -0.788 -14.985
   57    H    GLN  56           H        GLN  56   2.494   0.900 -16.856
   58    HA   GLN  56           HA       GLN  56   4.019   0.767 -19.440
   59   1HB   GLN  56          1HB       GLN  56   1.425   1.424 -19.174
   60   2HB   GLN  56          2HB       GLN  56   2.134   3.000 -18.830
   61   1HG   GLN  56          1HG       GLN  56   2.188   3.265 -21.082
   62   2HG   GLN  56          2HG       GLN  56   3.584   2.192 -21.032
   63   1HE2  GLN  56          2HE2      GLN  56   2.172  -0.253 -20.372
   64   2HE2  GLN  56          1HE2      GLN  56   1.222  -0.677 -21.712
   65    H    ASN  57           H        ASN  57   5.015   3.029 -19.918
   66    HA   ASN  57           HA       ASN  57   6.617   4.652 -19.303
   67   1HB   ASN  57          1HB       ASN  57   4.480   4.761 -17.175
   68   2HB   ASN  57          2HB       ASN  57   5.859   5.861 -17.124
   69   1HD2  ASN  57          2HD2      ASN  57   3.007   6.570 -17.665
   70   2HD2  ASN  57          1HD2      ASN  57   2.993   7.288 -19.204
   71    H    GLY  58           H        GLY  58   7.325   1.963 -18.593
   72   1HA   GLY  58          1HA       GLY  58   8.917   0.834 -17.292
   73   2HA   GLY  58          2HA       GLY  58   9.463   2.423 -16.758
   74    H    GLY  59           H        GLY  59   6.162   1.329 -16.285
   75   1HA   GLY  59          1HA       GLY  59   6.257   1.873 -13.457
   76   2HA   GLY  59          2HA       GLY  59   4.930   1.074 -14.301
   77    H    SER  60           H        SER  60   6.087   0.322 -11.718
   78    HA   SER  60           HA       SER  60   7.593  -2.172 -12.245
   79   1HB   SER  60          1HB       SER  60   6.649  -0.693  -9.776
   80   2HB   SER  60          2HB       SER  60   7.521  -2.221  -9.701
   81    H    CYS  61           H        CYS  61   6.630  -4.169 -12.273
   82    HA   CYS  61           HA       CYS  61   3.695  -4.341 -11.970
   83   1HB   CYS  61          1HB       CYS  61   4.634  -5.344 -13.916
   84   2HB   CYS  61          2HB       CYS  61   5.937  -6.093 -13.004
   85    H    LYS  62           H        LYS  62   2.672  -5.533 -10.367
   86    HA   LYS  62           HA       LYS  62   4.287  -7.099  -8.426
   87   1HB   LYS  62          1HB       LYS  62   3.622  -4.425  -8.013
   88   2HB   LYS  62          2HB       LYS  62   2.358  -5.292  -7.142
   89   1HG   LYS  62          1HG       LYS  62   4.464  -6.727  -6.312
   90   2HG   LYS  62          2HG       LYS  62   5.295  -5.203  -6.631
   91   1HD   LYS  62          1HD       LYS  62   4.121  -4.058  -4.996
   92   2HD   LYS  62          2HD       LYS  62   2.719  -5.123  -5.110
   93   1HE   LYS  62          1HE       LYS  62   3.705  -5.752  -3.050
   94   2HE   LYS  62          2HE       LYS  62   4.354  -6.955  -4.181
   95   1HZ   LYS  62          1HZ       LYS  62   5.676  -4.370  -3.556
   96   2HZ   LYS  62          2HZ       LYS  62   6.093  -5.848  -2.830
   97   3HZ   LYS  62          3HZ       LYS  62   6.303  -5.630  -4.502
   98    H    ASP  63           H        ASP  63   3.158  -8.940  -7.934
   99    HA   ASP  63           HA       ASP  63   0.508  -9.420  -9.017
  100   1HB   ASP  63          1HB       ASP  63   2.635 -10.937  -8.340
  101   2HB   ASP  63          2HB       ASP  63   1.664 -11.150  -6.883
  102    H    GLN  64           H        GLN  64  -1.462  -9.598  -7.886
  103    HA   GLN  64           HA       GLN  64  -1.501  -8.958  -4.976
  104   1HB   GLN  64          1HB       GLN  64  -2.668  -7.379  -7.264
  105   2HB   GLN  64          2HB       GLN  64  -3.397  -7.293  -5.660
  106   1HG   GLN  64          1HG       GLN  64  -0.464  -6.776  -6.220
  107   2HG   GLN  64          2HG       GLN  64  -1.681  -5.508  -6.069
  108   1HE2  GLN  64          2HE2      GLN  64   0.582  -7.275  -4.289
  109   2HE2  GLN  64          1HE2      GLN  64  -0.054  -7.013  -2.737
  110    H    LEU  65           H        LEU  65  -4.193  -8.775  -4.584
  111    HA   LEU  65           HA       LEU  65  -5.138 -11.467  -4.739
  112   1HB   LEU  65          1HB       LEU  65  -5.805  -9.170  -3.421
  113   2HB   LEU  65          2HB       LEU  65  -7.118  -9.258  -4.592
  114    HG   LEU  65           HG       LEU  65  -7.736 -10.418  -2.512
  115   1HD1  LEU  65          1HD1      LEU  65  -8.432 -11.277  -4.819
  116   2HD1  LEU  65          2HD1      LEU  65  -7.189 -12.512  -4.623
  117   3HD1  LEU  65          3HD1      LEU  65  -8.541 -12.434  -3.493
  118   1HD2  LEU  65          1HD2      LEU  65  -5.223 -11.038  -2.104
  119   2HD2  LEU  65          2HD2      LEU  65  -6.478 -12.153  -1.560
  120   3HD2  LEU  65          3HD2      LEU  65  -5.603 -12.472  -3.059
  121    H    GLN  66           H        GLN  66  -5.676 -12.502  -6.609
  122    HA   GLN  66           HA       GLN  66  -6.576 -12.928  -8.738
  123   1HB   GLN  66          1HB       GLN  66  -8.344 -10.882  -7.450
  124   2HB   GLN  66          2HB       GLN  66  -8.627 -11.268  -9.148
  125   1HG   GLN  66          1HG       GLN  66  -9.247 -13.447  -8.696
  126   2HG   GLN  66          2HG       GLN  66  -8.246 -13.541  -7.246
  127   1HE2  GLN  66          2HE2      GLN  66  -9.519 -13.657  -5.400
  128   2HE2  GLN  66          1HE2      GLN  66 -11.002 -12.860  -5.181
  129    H    SER  67           H        SER  67  -7.312  -9.455  -8.947
  130    HA   SER  67           HA       SER  67  -6.073  -9.143 -11.507
  131   1HB   SER  67          1HB       SER  67  -6.559  -6.984  -9.439
  132   2HB   SER  67          2HB       SER  67  -6.629  -6.831 -11.193
  133    HG   SER  67           HG       SER  67  -8.708  -7.025 -10.208
  134    H    TYR  68           H        TYR  68  -4.549  -6.744 -11.128
  135    HA   TYR  68           HA       TYR  68  -2.217  -7.598  -9.469
  136   1HB   TYR  68          1HB       TYR  68  -0.748  -7.211 -11.429
  137   2HB   TYR  68          2HB       TYR  68  -1.937  -8.465 -11.773
  138    HD1  TYR  68           HD1      TYR  68  -4.084  -7.792 -13.009
  139    HD2  TYR  68           HD2      TYR  68  -0.618  -5.268 -12.765
  140    HE1  TYR  68           HE1      TYR  68  -4.900  -6.486 -14.950
  141    HE2  TYR  68           HE2      TYR  68  -1.434  -3.960 -14.707
  142    HH   TYR  68           HH       TYR  68  -4.589  -4.170 -15.868
  143    H    ILE  69           H        ILE  69  -0.454  -5.647  -9.928
  144    HA   ILE  69           HA       ILE  69  -1.847  -3.027  -9.978
  145    HB   ILE  69           HB       ILE  69  -2.010  -3.927  -7.683
  146   1HG1  ILE  69          1HG1      ILE  69   0.069  -1.831  -7.355
  147   2HG1  ILE  69          2HG1      ILE  69  -1.295  -1.413  -8.392
  148   1HG2  ILE  69          1HG2      ILE  69   1.011  -4.017  -7.880
  149   2HG2  ILE  69          2HG2      ILE  69   0.120  -4.154  -6.364
  150   3HG2  ILE  69          3HG2      ILE  69  -0.080  -5.377  -7.618
  151   1HD1  ILE  69          1HD1      ILE  69  -2.624  -2.573  -6.340
  152   2HD1  ILE  69          2HD1      ILE  69  -1.232  -1.928  -5.469
  153   3HD1  ILE  69          3HD1      ILE  69  -2.269  -0.845  -6.400
  154    H    CYS  70           H        CYS  70  -0.488  -1.369 -10.655
  155    HA   CYS  70           HA       CYS  70   2.333  -2.134 -11.324
  156   1HB   CYS  70          1HB       CYS  70   0.269  -0.262 -12.497
  157   2HB   CYS  70          2HB       CYS  70   1.973  -0.130 -12.932
  158    H    PHE  71           H        PHE  71   3.791  -1.233  -9.906
  159    HA   PHE  71           HA       PHE  71   3.080   1.188  -8.355
  160   1HB   PHE  71          1HB       PHE  71   5.263  -0.890  -8.363
  161   2HB   PHE  71          2HB       PHE  71   5.457   0.593  -7.430
  162    HD1  PHE  71           HD1      PHE  71   3.384  -2.446  -7.871
  163    HD2  PHE  71           HD2      PHE  71   4.176   0.999  -5.434
  164    HE1  PHE  71           HE1      PHE  71   1.958  -3.390  -6.075
  165    HE2  PHE  71           HE2      PHE  71   2.750   0.055  -3.637
  166    HZ   PHE  71           HZ       PHE  71   1.641  -2.139  -3.958
  167    H    CYS  72           H        CYS  72   3.592   3.178  -9.165
  168    HA   CYS  72           HA       CYS  72   6.019   3.429 -10.914
  169   1HB   CYS  72          1HB       CYS  72   3.272   4.689 -11.187
  170   2HB   CYS  72          2HB       CYS  72   4.656   5.084 -12.207
  171    H    LEU  73           H        LEU  73   6.062   6.131 -11.226
  172    HA   LEU  73           HA       LEU  73   6.919   7.084  -8.594
  173   1HB   LEU  73          1HB       LEU  73   6.747   8.347 -11.351
  174   2HB   LEU  73          2HB       LEU  73   7.549   9.090  -9.966
  175    HG   LEU  73           HG       LEU  73   8.717   6.639  -9.927
  176   1HD1  LEU  73          1HD1      LEU  73   7.696   7.130 -12.687
  177   2HD1  LEU  73          2HD1      LEU  73   9.333   6.493 -12.532
  178   3HD1  LEU  73          3HD1      LEU  73   7.973   5.604 -11.846
  179   1HD2  LEU  73          1HD2      LEU  73   9.702   9.018 -10.037
  180   2HD2  LEU  73          2HD2      LEU  73  10.657   7.729 -10.768
  181   3HD2  LEU  73          3HD2      LEU  73   9.704   8.807 -11.788
  182    HA   PRO  74           HA       PRO  74   3.289   9.290  -7.438
  183   1HB   PRO  74          1HB       PRO  74   4.276  11.663  -6.478
  184   2HB   PRO  74          2HB       PRO  74   4.396  10.130  -5.593
  185   1HG   PRO  74          1HG       PRO  74   6.442  11.505  -7.275
  186   2HG   PRO  74          2HG       PRO  74   6.631  10.693  -5.712
  187   1HD   PRO  74          1HD       PRO  74   7.338   9.516  -8.030
  188   2HD   PRO  74          2HD       PRO  74   6.686   8.588  -6.660
  189    H    ALA  75           H        ALA  75   5.455  10.640  -9.797
  190    HA   ALA  75           HA       ALA  75   3.576  12.794 -10.576
  191   1HB   ALA  75          1HB       ALA  75   6.285  12.566 -10.520
  192   2HB   ALA  75          2HB       ALA  75   5.970  12.118 -12.197
  193   3HB   ALA  75          3HB       ALA  75   5.433  13.683 -11.587
  194    H    PHE  76           H        PHE  76   3.209   9.664 -10.956
  195    HA   PHE  76           HA       PHE  76   2.508   9.837 -13.869
  196   1HB   PHE  76          1HB       PHE  76   3.780   7.693 -12.182
  197   2HB   PHE  76          2HB       PHE  76   2.910   7.260 -13.654
  198    HD1  PHE  76           HD1      PHE  76   5.515   9.651 -12.414
  199    HD2  PHE  76           HD2      PHE  76   4.027   7.328 -15.704
  200    HE1  PHE  76           HE1      PHE  76   7.482  10.310 -13.768
  201    HE2  PHE  76           HE2      PHE  76   5.994   7.987 -17.059
  202    HZ   PHE  76           HZ       PHE  76   7.720   9.481 -16.093
  203    H    GLU  77           H        GLU  77   0.541   8.785 -14.471
  204    HA   GLU  77           HA       GLU  77  -1.164   7.625 -12.334
  205   1HB   GLU  77          1HB       GLU  77  -1.237  10.313 -12.901
  206   2HB   GLU  77          2HB       GLU  77  -2.484   9.696 -13.984
  207   1HG   GLU  77          1HG       GLU  77  -2.650   8.491 -11.320
  208   2HG   GLU  77          2HG       GLU  77  -2.794  10.247 -11.264
  209    H    GLY  78           H        GLY  78  -3.407   7.063 -13.475
  210   1HA   GLY  78          1HA       GLY  78  -4.436   6.525 -15.692
  211   2HA   GLY  78          2HA       GLY  78  -2.824   6.053 -16.231
  212    H    ARG  79           H        ARG  79  -5.148   4.347 -16.268
  213    HA   ARG  79           HA       ARG  79  -5.298   2.535 -14.067
  214   1HB   ARG  79          1HB       ARG  79  -6.321   1.040 -15.775
  215   2HB   ARG  79          2HB       ARG  79  -6.939   2.686 -15.896
  216   1HG   ARG  79          1HG       ARG  79  -4.805   2.852 -17.574
  217   2HG   ARG  79          2HG       ARG  79  -5.245   1.158 -17.791
  218   1HD   ARG  79          1HD       ARG  79  -7.632   1.915 -18.187
  219   2HD   ARG  79          2HD       ARG  79  -7.024   3.581 -18.210
  220    HE   ARG  79           HE       ARG  79  -5.441   1.886 -19.938
  221   1HH1  ARG  79          1HH1      ARG  79  -8.264   3.921 -19.736
  222   2HH1  ARG  79          2HH1      ARG  79  -8.493   3.954 -21.449
  223   1HH2  ARG  79          1HH2      ARG  79  -5.850   1.838 -22.150
  224   2HH2  ARG  79          2HH2      ARG  79  -7.140   2.789 -22.804
  225    H    ASN  80           H        ASN  80  -3.000   2.800 -16.715
  226    HA   ASN  80           HA       ASN  80  -1.485   0.478 -15.567
  227   1HB   ASN  80          1HB       ASN  80  -2.170   1.212 -18.420
  228   2HB   ASN  80          2HB       ASN  80  -0.840   0.116 -18.041
  229   1HD2  ASN  80          2HD2      ASN  80  -1.732  -1.532 -16.097
  230   2HD2  ASN  80          1HD2      ASN  80  -3.171  -2.318 -16.534
  231    H    CYS  81           H        CYS  81  -1.108   3.306 -14.981
  232    HA   CYS  81           HA       CYS  81   0.610   4.927 -14.896
  233   1HB   CYS  81          1HB       CYS  81   1.967   2.298 -15.466
  234   2HB   CYS  81          2HB       CYS  81   2.919   3.775 -15.324
  235    H    GLU  82           H        GLU  82  -0.821   4.917 -17.358
  236    HA   GLU  82           HA       GLU  82   1.331   5.352 -19.398
  237   1HB   GLU  82          1HB       GLU  82  -0.535   5.023 -21.012
  238   2HB   GLU  82          2HB       GLU  82  -0.359   3.646 -19.926
  239   1HG   GLU  82          1HG       GLU  82  -2.241   4.298 -18.622
  240   2HG   GLU  82          2HG       GLU  82  -2.276   5.908 -19.342
  241    H    THR  83           H        THR  83   0.259   7.263 -17.222
  242    HA   THR  83           HA       THR  83  -0.195   9.564 -19.063
  243    HB   THR  83           HB       THR  83  -1.888   8.840 -16.649
  244    HG1  THR  83           HG1      THR  83  -2.650   7.574 -18.185
  245   1HG2  THR  83          1HG2      THR  83  -1.557  11.300 -17.123
  246   2HG2  THR  83          2HG2      THR  83  -2.305  11.031 -18.696
  247   3HG2  THR  83          3HG2      THR  83  -3.232  10.756 -17.220
  248    H    HIS  84           H        HIS  84   1.569  10.814 -18.529
  249    HA   HIS  84           HA       HIS  84   2.874  10.811 -15.950
  250   1HB   HIS  84          1HB       HIS  84   2.901  12.647 -18.362
  251   2HB   HIS  84          2HB       HIS  84   3.968  12.879 -16.978
  252    HD1  HIS  84           HD1      HIS  84   3.141  10.262 -19.613
  253    HD2  HIS  84           HD2      HIS  84   6.225  11.255 -16.990
  254    HE1  HIS  84           HE1      HIS  84   5.078   8.730 -20.172
  255    H    LYS  85           H        LYS  85   3.074  12.910 -14.639
  256    HA   LYS  85           HA       LYS  85   0.453  14.375 -14.545
  257   1HB   LYS  85          1HB       LYS  85   2.196  13.284 -12.313
  258   2HB   LYS  85          2HB       LYS  85   0.800  14.328 -12.050
  259   1HG   LYS  85          1HG       LYS  85   0.398  11.913 -13.753
  260   2HG   LYS  85          2HG       LYS  85   0.584  11.659 -12.018
  261   1HD   LYS  85          1HD       LYS  85  -1.674  12.050 -12.020
  262   2HD   LYS  85          2HD       LYS  85  -1.150  13.733 -11.980
  263   1HE   LYS  85          1HE       LYS  85  -1.768  14.114 -14.164
  264   2HE   LYS  85          2HE       LYS  85  -1.348  12.466 -14.675
  265   1HZ   LYS  85          1HZ       LYS  85  -3.247  11.668 -13.336
  266   2HZ   LYS  85          2HZ       LYS  85  -3.696  13.277 -13.044
  267   3HZ   LYS  85          3HZ       LYS  85  -3.725  12.663 -14.628
  268    H    ASP  86           H        ASP  86   0.709  16.569 -14.653
  269    HA   ASP  86           HA       ASP  86   3.322  17.760 -13.800
  270   1HB   ASP  86          1HB       ASP  86   3.183  19.183 -15.842
  271   2HB   ASP  86          2HB       ASP  86   3.278  17.468 -16.241
  272    H    ASP  87           H        ASP  87   1.195  17.808 -12.075
  273    HA   ASP  87           HA       ASP  87   0.464  20.686 -12.053
  274   1HB   ASP  87          1HB       ASP  87  -1.349  18.350 -12.471
  275   2HB   ASP  87          2HB       ASP  87  -1.942  19.654 -11.442
  276    H    GLY  88           H        GLY  88   2.288  19.454 -10.355
  277   1HA   GLY  88          1HA       GLY  88   1.912  20.179  -7.834
  278   2HA   GLY  88          2HA       GLY  88   0.822  18.791  -7.857
  279    H    SER  89           H        SER  89   3.230  19.052  -6.249
  280    HA   SER  89           HA       SER  89   5.138  17.796  -5.646
  281   1HB   SER  89          1HB       SER  89   3.205  16.117  -5.908
  282   2HB   SER  89          2HB       SER  89   3.924  15.701  -7.461
  283    HG   SER  89           HG       SER  89   4.625  14.423  -5.602
  284    H    ALA  90           H        ALA  90   6.897  16.225  -6.796
  285    HA   ALA  90           HA       ALA  90   7.448  17.061  -9.590
  286   1HB   ALA  90          1HB       ALA  90   8.300  18.798  -7.937
  287   2HB   ALA  90          2HB       ALA  90   9.399  17.562  -7.326
  288   3HB   ALA  90          3HB       ALA  90   9.535  18.115  -8.995
  289    H1   FUC  91           H1       FUC  91   9.362  -1.228  -8.649
  290    H2   FUC  91           H2       FUC  91  11.220   0.405  -8.689
  291    H3   FUC  91           H3       FUC  91   9.917   1.346 -11.291
  292    H4   FUC  91           H4       FUC  91   9.605   3.459 -10.055
  293    H5   FUC  91           H5       FUC  91   7.823   1.744 -10.074
  294   1H6   FUC  91          1H6       FUC  91   8.036   2.882  -7.246
  295   2H6   FUC  91          2H6       FUC  91   7.496   3.833  -8.663
  296   3H6   FUC  91          3H6       FUC  91   6.549   2.412  -8.126
  297    HO2  FUC  91           HO2      FUC  91  10.789  -1.021 -11.135
  298    HO3  FUC  91           HO3      FUC  91  12.280   2.227  -9.924
  299    HO4  FUC  91           HO4      FUC  91  10.010   3.391  -7.756
  Start of MODEL   13
    1   1H    SER  45          1H        SER  45  -6.186 -21.899  -8.872
    2   2H    SER  45          2H        SER  45  -7.758 -22.510  -9.074
    3   3H    SER  45          3H        SER  45  -7.117 -21.431 -10.214
    4    HA   SER  45           HA       SER  45  -8.642 -20.218  -8.831
    5   1HB   SER  45          1HB       SER  45  -7.987 -20.248  -6.320
    6   2HB   SER  45          2HB       SER  45  -8.773 -21.682  -6.974
    7    HG   SER  45           HG       SER  45  -6.027 -21.237  -6.444
    8    H    ASP  46           H        ASP  46  -8.027 -18.142  -9.258
    9    HA   ASP  46           HA       ASP  46  -6.683 -16.211  -9.471
   10   1HB   ASP  46          1HB       ASP  46  -5.513 -17.491  -6.977
   11   2HB   ASP  46          2HB       ASP  46  -5.282 -15.807  -7.451
   12    H    GLY  47           H        GLY  47  -4.159 -15.548  -9.363
   13   1HA   GLY  47          1HA       GLY  47  -2.022 -17.242  -9.721
   14   2HA   GLY  47          2HA       GLY  47  -2.823 -17.288 -11.292
   15    H    ASP  48           H        ASP  48  -0.957 -16.231 -12.236
   16    HA   ASP  48           HA       ASP  48  -0.308 -13.483 -11.354
   17   1HB   ASP  48          1HB       ASP  48   0.712 -15.326 -13.539
   18   2HB   ASP  48          2HB       ASP  48   1.397 -13.739 -13.189
   19    H    GLN  49           H        GLN  49  -0.277 -11.730 -13.035
   20    HA   GLN  49           HA       GLN  49  -2.003 -12.052 -15.398
   21   1HB   GLN  49          1HB       GLN  49  -3.466 -11.801 -13.322
   22   2HB   GLN  49          2HB       GLN  49  -2.818 -10.167 -13.173
   23   1HG   GLN  49          1HG       GLN  49  -4.624  -9.652 -14.486
   24   2HG   GLN  49          2HG       GLN  49  -3.525 -10.129 -15.781
   25   1HE2  GLN  49          2HE2      GLN  49  -5.960 -11.587 -13.551
   26   2HE2  GLN  49          1HE2      GLN  49  -6.503 -12.745 -14.668
   27    H    CYS  50           H        CYS  50   0.771 -11.095 -14.623
   28    HA   CYS  50           HA       CYS  50   0.628  -8.449 -16.012
   29   1HB   CYS  50          1HB       CYS  50   0.782  -8.274 -13.488
   30   2HB   CYS  50          2HB       CYS  50   2.347  -9.082 -13.595
   31    H    ALA  51           H        ALA  51   1.418 -11.241 -16.832
   32    HA   ALA  51           HA       ALA  51   4.355 -11.082 -17.162
   33   1HB   ALA  51          1HB       ALA  51   2.583 -13.104 -16.755
   34   2HB   ALA  51          2HB       ALA  51   2.729 -13.165 -18.512
   35   3HB   ALA  51          3HB       ALA  51   4.164 -13.340 -17.501
   36    H    SER  52           H        SER  52   2.268  -9.249 -18.621
   37    HA   SER  52           HA       SER  52   3.380  -9.709 -21.366
   38   1HB   SER  52          1HB       SER  52   1.071  -8.920 -22.126
   39   2HB   SER  52          2HB       SER  52   1.119 -10.510 -21.370
   40    HG   SER  52           HG       SER  52  -0.512  -9.401 -20.386
   41    H    SER  53           H        SER  53   4.030  -7.800 -19.055
   42    HA   SER  53           HA       SER  53   4.541  -5.512 -18.765
   43   1HB   SER  53          1HB       SER  53   5.792  -6.212 -20.840
   44   2HB   SER  53          2HB       SER  53   4.448  -5.599 -21.797
   45    HG   SER  53           HG       SER  53   6.234  -4.202 -20.110
   46    HA   PRO  54           HA       PRO  54   0.137  -4.325 -19.993
   47   1HB   PRO  54          1HB       PRO  54  -0.992  -4.338 -17.501
   48   2HB   PRO  54          2HB       PRO  54  -0.972  -5.763 -18.558
   49   1HG   PRO  54          1HG       PRO  54   0.768  -5.106 -16.237
   50   2HG   PRO  54          2HG       PRO  54   0.097  -6.664 -16.741
   51   1HD   PRO  54          1HD       PRO  54   2.680  -5.912 -17.201
   52   2HD   PRO  54          2HD       PRO  54   1.791  -7.065 -18.221
   53    H    CYS  55           H        CYS  55   2.302  -3.426 -17.363
   54    HA   CYS  55           HA       CYS  55   1.221  -0.638 -17.368
   55   1HB   CYS  55          1HB       CYS  55   3.040  -2.182 -15.492
   56   2HB   CYS  55          2HB       CYS  55   2.549  -0.507 -15.243
   57    H    GLN  56           H        GLN  56   3.033   1.070 -17.085
   58    HA   GLN  56           HA       GLN  56   5.623   0.387 -18.332
   59   1HB   GLN  56          1HB       GLN  56   5.215   1.944 -20.226
   60   2HB   GLN  56          2HB       GLN  56   4.048   0.626 -20.214
   61   1HG   GLN  56          1HG       GLN  56   2.749   2.447 -18.656
   62   2HG   GLN  56          2HG       GLN  56   3.628   3.520 -19.746
   63   1HE2  GLN  56          2HE2      GLN  56   1.924   0.352 -20.158
   64   2HE2  GLN  56          1HE2      GLN  56   1.029   0.851 -21.511
   65    H    ASN  57           H        ASN  57   6.301   3.066 -19.041
   66    HA   ASN  57           HA       ASN  57   7.221   4.998 -18.057
   67   1HB   ASN  57          1HB       ASN  57   4.536   4.653 -16.715
   68   2HB   ASN  57          2HB       ASN  57   5.563   6.043 -16.368
   69   1HD2  ASN  57          2HD2      ASN  57   2.968   6.176 -17.740
   70   2HD2  ASN  57          1HD2      ASN  57   3.266   6.775 -19.300
   71    H    GLY  58           H        GLY  58   8.242   2.572 -16.994
   72   1HA   GLY  58          1HA       GLY  58   9.495   1.792 -15.173
   73   2HA   GLY  58          2HA       GLY  58   9.491   3.459 -14.597
   74    H    GLY  59           H        GLY  59   6.506   1.699 -15.127
   75   1HA   GLY  59          1HA       GLY  59   5.722   2.128 -12.346
   76   2HA   GLY  59          2HA       GLY  59   4.742   1.350 -13.590
   77    H    SER  60           H        SER  60   5.765   0.627 -10.710
   78    HA   SER  60           HA       SER  60   7.134  -1.945 -11.233
   79   1HB   SER  60          1HB       SER  60   6.329  -0.298  -8.844
   80   2HB   SER  60          2HB       SER  60   6.840  -1.971  -8.631
   81    H    CYS  61           H        CYS  61   5.793  -3.577 -11.926
   82    HA   CYS  61           HA       CYS  61   2.969  -3.692 -11.060
   83   1HB   CYS  61          1HB       CYS  61   3.809  -4.085 -13.408
   84   2HB   CYS  61          2HB       CYS  61   4.588  -5.554 -12.822
   85    H    LYS  62           H        LYS  62   2.087  -5.603 -10.026
   86    HA   LYS  62           HA       LYS  62   3.993  -7.526  -8.805
   87   1HB   LYS  62          1HB       LYS  62   3.355  -5.230  -7.493
   88   2HB   LYS  62          2HB       LYS  62   2.041  -6.274  -6.950
   89   1HG   LYS  62          1HG       LYS  62   3.441  -7.660  -5.777
   90   2HG   LYS  62          2HG       LYS  62   4.765  -7.465  -6.927
   91   1HD   LYS  62          1HD       LYS  62   3.886  -5.204  -5.129
   92   2HD   LYS  62          2HD       LYS  62   5.074  -6.397  -4.602
   93   1HE   LYS  62          1HE       LYS  62   6.628  -5.761  -6.284
   94   2HE   LYS  62          2HE       LYS  62   5.388  -4.896  -7.214
   95   1HZ   LYS  62          1HZ       LYS  62   5.082  -3.442  -5.241
   96   2HZ   LYS  62          2HZ       LYS  62   6.433  -4.179  -4.527
   97   3HZ   LYS  62          3HZ       LYS  62   6.613  -3.290  -5.964
   98    H    ASP  63           H        ASP  63   3.044  -9.535  -8.697
   99    HA   ASP  63           HA       ASP  63   0.388  -9.980  -9.758
  100   1HB   ASP  63          1HB       ASP  63   0.920 -12.339  -9.150
  101   2HB   ASP  63          2HB       ASP  63   2.254 -11.562 -10.002
  102    H    GLN  64           H        GLN  64  -1.498  -9.764  -8.641
  103    HA   GLN  64           HA       GLN  64  -1.462 -10.185  -5.669
  104   1HB   GLN  64          1HB       GLN  64  -2.691  -8.070  -7.431
  105   2HB   GLN  64          2HB       GLN  64  -3.376  -8.410  -5.841
  106   1HG   GLN  64          1HG       GLN  64  -0.434  -7.838  -6.250
  107   2HG   GLN  64          2HG       GLN  64  -1.610  -6.565  -5.918
  108   1HE2  GLN  64          2HE2      GLN  64  -2.645  -6.551  -3.788
  109   2HE2  GLN  64          1HE2      GLN  64  -2.017  -7.459  -2.499
  110    H    LEU  65           H        LEU  65  -4.132 -10.127  -5.150
  111    HA   LEU  65           HA       LEU  65  -5.085 -12.686  -6.076
  112   1HB   LEU  65          1HB       LEU  65  -5.564 -11.079  -3.966
  113   2HB   LEU  65          2HB       LEU  65  -6.954 -10.645  -4.961
  114    HG   LEU  65           HG       LEU  65  -7.116 -13.296  -5.234
  115   1HD1  LEU  65          1HD1      LEU  65  -5.015 -13.534  -3.806
  116   2HD1  LEU  65          2HD1      LEU  65  -5.995 -13.003  -2.439
  117   3HD1  LEU  65          3HD1      LEU  65  -6.402 -14.493  -3.289
  118   1HD2  LEU  65          1HD2      LEU  65  -8.684 -11.508  -4.122
  119   2HD2  LEU  65          2HD2      LEU  65  -8.902 -13.211  -3.719
  120   3HD2  LEU  65          3HD2      LEU  65  -8.038 -12.146  -2.611
  121    H    GLN  66           H        GLN  66  -6.589 -13.170  -7.680
  122    HA   GLN  66           HA       GLN  66  -7.828 -12.898  -9.659
  123   1HB   GLN  66          1HB       GLN  66  -8.491 -10.562  -7.903
  124   2HB   GLN  66          2HB       GLN  66  -9.113 -10.565  -9.553
  125   1HG   GLN  66          1HG       GLN  66 -10.389 -12.496  -9.211
  126   2HG   GLN  66          2HG       GLN  66  -9.407 -13.020  -7.843
  127   1HE2  GLN  66          2HE2      GLN  66  -9.386 -10.881  -6.132
  128   2HE2  GLN  66          1HE2      GLN  66 -10.962 -10.437  -5.685
  129    H    SER  67           H        SER  67  -7.188  -9.409  -9.408
  130    HA   SER  67           HA       SER  67  -5.792  -9.527 -12.027
  131   1HB   SER  67          1HB       SER  67  -6.638  -7.148 -10.351
  132   2HB   SER  67          2HB       SER  67  -6.286  -7.163 -12.077
  133    HG   SER  67           HG       SER  67  -8.582  -7.280 -11.361
  134    H    TYR  68           H        TYR  68  -4.262  -7.150 -11.700
  135    HA   TYR  68           HA       TYR  68  -2.234  -7.979  -9.647
  136   1HB   TYR  68          1HB       TYR  68  -0.541  -7.269 -11.335
  137   2HB   TYR  68          2HB       TYR  68  -1.558  -8.577 -11.933
  138    HD1  TYR  68           HD1      TYR  68  -1.119  -4.872 -11.991
  139    HD2  TYR  68           HD2      TYR  68  -2.877  -8.303 -13.886
  140    HE1  TYR  68           HE1      TYR  68  -1.793  -3.464 -13.916
  141    HE2  TYR  68           HE2      TYR  68  -3.551  -6.895 -15.811
  142    HH   TYR  68           HH       TYR  68  -4.050  -4.251 -16.068
  143    H    ILE  69           H        ILE  69  -0.509  -5.899  -9.786
  144    HA   ILE  69           HA       ILE  69  -2.078  -3.379  -9.554
  145    HB   ILE  69           HB       ILE  69  -2.115  -4.574  -7.386
  146   1HG1  ILE  69          1HG1      ILE  69  -0.180  -2.401  -6.809
  147   2HG1  ILE  69          2HG1      ILE  69  -1.570  -1.939  -7.791
  148   1HG2  ILE  69          1HG2      ILE  69   0.903  -4.396  -7.622
  149   2HG2  ILE  69          2HG2      ILE  69   0.043  -4.848  -6.150
  150   3HG2  ILE  69          3HG2      ILE  69  -0.067  -5.869  -7.584
  151   1HD1  ILE  69          1HD1      ILE  69  -2.819  -3.426  -5.905
  152   2HD1  ILE  69          2HD1      ILE  69  -1.465  -2.810  -4.956
  153   3HD1  ILE  69          3HD1      ILE  69  -2.570  -1.686  -5.748
  154    H    CYS  70           H        CYS  70  -0.818  -1.537  -9.990
  155    HA   CYS  70           HA       CYS  70   2.102  -1.987 -10.509
  156   1HB   CYS  70          1HB       CYS  70  -0.082  -0.752 -12.171
  157   2HB   CYS  70          2HB       CYS  70   1.595  -0.266 -12.414
  158    H    PHE  71           H        PHE  71   3.303  -0.612  -9.284
  159    HA   PHE  71           HA       PHE  71   2.059   1.781  -8.060
  160   1HB   PHE  71          1HB       PHE  71   4.795   0.480  -7.831
  161   2HB   PHE  71          2HB       PHE  71   4.227   1.810  -6.822
  162    HD1  PHE  71           HD1      PHE  71   2.379   1.474  -5.213
  163    HD2  PHE  71           HD2      PHE  71   3.975  -1.776  -7.523
  164    HE1  PHE  71           HE1      PHE  71   1.269  -0.147  -3.699
  165    HE2  PHE  71           HE2      PHE  71   2.864  -3.397  -6.010
  166    HZ   PHE  71           HZ       PHE  71   1.511  -2.583  -4.098
  167    H    CYS  72           H        CYS  72   1.879   3.238  -9.841
  168    HA   CYS  72           HA       CYS  72   3.937   3.742 -11.776
  169   1HB   CYS  72          1HB       CYS  72   1.755   5.581 -10.731
  170   2HB   CYS  72          2HB       CYS  72   2.578   5.727 -12.280
  171    H    LEU  73           H        LEU  73   4.862   6.109 -11.925
  172    HA   LEU  73           HA       LEU  73   6.507   6.551  -9.524
  173   1HB   LEU  73          1HB       LEU  73   6.372   7.443 -12.378
  174   2HB   LEU  73          2HB       LEU  73   7.260   8.461 -11.245
  175    HG   LEU  73           HG       LEU  73   7.727   5.480 -11.450
  176   1HD1  LEU  73          1HD1      LEU  73   8.921   7.765 -13.017
  177   2HD1  LEU  73          2HD1      LEU  73   9.838   6.287 -12.722
  178   3HD1  LEU  73          3HD1      LEU  73   8.318   6.218 -13.614
  179   1HD2  LEU  73          1HD2      LEU  73   9.352   7.795 -10.345
  180   2HD2  LEU  73          2HD2      LEU  73   8.502   6.577  -9.393
  181   3HD2  LEU  73          3HD2      LEU  73   9.883   6.113 -10.386
  182    HA   PRO  74           HA       PRO  74   4.289   9.976  -7.864
  183   1HB   PRO  74          1HB       PRO  74   6.185  11.923  -7.482
  184   2HB   PRO  74          2HB       PRO  74   6.051  10.481  -6.455
  185   1HG   PRO  74          1HG       PRO  74   7.898  11.008  -8.739
  186   2HG   PRO  74          2HG       PRO  74   8.234  10.258  -7.169
  187   1HD   PRO  74          1HD       PRO  74   7.900   8.796  -9.404
  188   2HD   PRO  74          2HD       PRO  74   7.369   8.214  -7.810
  189    H    ALA  75           H        ALA  75   6.232  10.544 -10.726
  190    HA   ALA  75           HA       ALA  75   4.642  12.979 -11.406
  191   1HB   ALA  75          1HB       ALA  75   7.284  11.785 -12.183
  192   2HB   ALA  75          2HB       ALA  75   6.490  12.891 -13.304
  193   3HB   ALA  75          3HB       ALA  75   6.914  13.434 -11.680
  194    H    PHE  76           H        PHE  76   3.761  10.022 -11.588
  195    HA   PHE  76           HA       PHE  76   2.890  10.139 -14.452
  196   1HB   PHE  76          1HB       PHE  76   4.229   7.927 -12.897
  197   2HB   PHE  76          2HB       PHE  76   3.223   7.560 -14.298
  198    HD1  PHE  76           HD1      PHE  76   6.284   9.288 -13.143
  199    HD2  PHE  76           HD2      PHE  76   3.925   8.127 -16.539
  200    HE1  PHE  76           HE1      PHE  76   8.164   9.876 -14.650
  201    HE2  PHE  76           HE2      PHE  76   5.805   8.714 -18.046
  202    HZ   PHE  76           HZ       PHE  76   7.923   9.588 -17.101
  203    H    GLU  77           H        GLU  77   0.935   8.754 -14.818
  204    HA   GLU  77           HA       GLU  77  -0.603   7.997 -12.391
  205   1HB   GLU  77          1HB       GLU  77  -0.845  10.502 -13.161
  206   2HB   GLU  77          2HB       GLU  77  -1.856   9.816 -14.434
  207   1HG   GLU  77          1HG       GLU  77  -3.504   9.165 -12.968
  208   2HG   GLU  77          2HG       GLU  77  -2.367   8.884 -11.649
  209    H    GLY  78           H        GLY  78  -2.906   7.206 -13.271
  210   1HA   GLY  78          1HA       GLY  78  -4.097   6.145 -15.142
  211   2HA   GLY  78          2HA       GLY  78  -2.531   5.778 -15.867
  212    H    ARG  79           H        ARG  79  -4.726   3.922 -15.165
  213    HA   ARG  79           HA       ARG  79  -4.170   2.414 -12.804
  214   1HB   ARG  79          1HB       ARG  79  -6.066   2.398 -14.702
  215   2HB   ARG  79          2HB       ARG  79  -5.082   1.068 -15.313
  216   1HG   ARG  79          1HG       ARG  79  -6.460  -0.101 -13.869
  217   2HG   ARG  79          2HG       ARG  79  -5.148   0.311 -12.763
  218   1HD   ARG  79          1HD       ARG  79  -6.444   2.382 -12.112
  219   2HD   ARG  79          2HD       ARG  79  -7.801   1.755 -13.068
  220    HE   ARG  79           HE       ARG  79  -6.783  -0.273 -11.274
  221   1HH1  ARG  79          1HH1      ARG  79  -9.005   2.391 -11.609
  222   2HH1  ARG  79          2HH1      ARG  79  -9.836   2.022 -10.138
  223   1HH2  ARG  79          1HH2      ARG  79  -7.798  -0.644  -9.299
  224   2HH2  ARG  79          2HH2      ARG  79  -9.162   0.320  -8.843
  225    H    ASN  80           H        ASN  80  -2.892   2.142 -16.120
  226    HA   ASN  80           HA       ASN  80  -0.969   0.048 -15.192
  227   1HB   ASN  80          1HB       ASN  80  -1.880   0.986 -17.933
  228   2HB   ASN  80          2HB       ASN  80  -0.729  -0.321 -17.656
  229   1HD2  ASN  80          2HD2      ASN  80  -1.876  -1.703 -15.521
  230   2HD2  ASN  80          1HD2      ASN  80  -3.402  -2.300 -15.968
  231    H    CYS  81           H        CYS  81  -0.755   3.046 -14.727
  232    HA   CYS  81           HA       CYS  81   0.905   4.724 -14.827
  233   1HB   CYS  81          1HB       CYS  81   2.608   2.320 -15.569
  234   2HB   CYS  81          2HB       CYS  81   3.192   3.834 -14.887
  235    H    GLU  82           H        GLU  82  -0.612   4.652 -17.149
  236    HA   GLU  82           HA       GLU  82   1.413   4.933 -19.345
  237   1HB   GLU  82          1HB       GLU  82  -0.523   4.437 -20.832
  238   2HB   GLU  82          2HB       GLU  82  -0.239   3.144 -19.669
  239   1HG   GLU  82          1HG       GLU  82  -2.061   3.860 -18.287
  240   2HG   GLU  82          2HG       GLU  82  -2.220   5.378 -19.172
  241    H    THR  83           H        THR  83   0.426   6.967 -17.266
  242    HA   THR  83           HA       THR  83  -0.421   9.062 -19.237
  243    HB   THR  83           HB       THR  83  -1.404   8.759 -16.385
  244    HG1  THR  83           HG1      THR  83  -3.349   8.062 -17.494
  245   1HG2  THR  83          1HG2      THR  83  -2.165  10.511 -18.726
  246   2HG2  THR  83          2HG2      THR  83  -3.225  10.279 -17.335
  247   3HG2  THR  83          3HG2      THR  83  -1.636  11.014 -17.121
  248    H    HIS  84           H        HIS  84   1.167  10.592 -19.268
  249    HA   HIS  84           HA       HIS  84   3.083  10.861 -17.051
  250   1HB   HIS  84          1HB       HIS  84   3.260  11.054 -19.728
  251   2HB   HIS  84          2HB       HIS  84   2.961  12.752 -19.357
  252    HD1  HIS  84           HD1      HIS  84   5.662  10.420 -19.657
  253    HD2  HIS  84           HD2      HIS  84   4.863  13.634 -17.126
  254    HE1  HIS  84           HE1      HIS  84   7.879  11.096 -18.637
  255    H    LYS  85           H        LYS  85   2.361  12.008 -15.285
  256    HA   LYS  85           HA       LYS  85   0.268  13.959 -15.287
  257   1HB   LYS  85          1HB       LYS  85   2.568  13.276 -13.446
  258   2HB   LYS  85          2HB       LYS  85   1.400  14.533 -13.036
  259   1HG   LYS  85          1HG       LYS  85  -0.324  12.595 -13.711
  260   2HG   LYS  85          2HG       LYS  85   1.026  11.581 -13.203
  261   1HD   LYS  85          1HD       LYS  85   0.034  13.870 -11.501
  262   2HD   LYS  85          2HD       LYS  85  -0.664  12.254 -11.383
  263   1HE   LYS  85          1HE       LYS  85   1.008  11.959  -9.828
  264   2HE   LYS  85          2HE       LYS  85   2.002  11.657 -11.268
  265   1HZ   LYS  85          1HZ       LYS  85   1.512  14.371 -10.175
  266   2HZ   LYS  85          2HZ       LYS  85   2.866  13.437  -9.749
  267   3HZ   LYS  85          3HZ       LYS  85   2.637  13.921 -11.361
  268    H    ASP  86           H        ASP  86   0.462  15.773 -16.576
  269    HA   ASP  86           HA       ASP  86   3.036  17.312 -16.459
  270   1HB   ASP  86          1HB       ASP  86   0.923  16.835 -18.553
  271   2HB   ASP  86          2HB       ASP  86   1.963  18.256 -18.658
  272    H    ASP  87           H        ASP  87  -0.492  17.499 -16.244
  273    HA   ASP  87           HA       ASP  87  -0.499  20.412 -15.819
  274   1HB   ASP  87          1HB       ASP  87  -2.251  18.814 -16.942
  275   2HB   ASP  87          2HB       ASP  87  -2.776  18.514 -15.285
  276    H    GLY  88           H        GLY  88  -1.334  21.359 -13.799
  277   1HA   GLY  88          1HA       GLY  88  -1.982  20.170 -11.405
  278   2HA   GLY  88          2HA       GLY  88  -0.221  20.061 -11.430
  279    H    SER  89           H        SER  89   0.663  22.367 -12.425
  280    HA   SER  89           HA       SER  89  -0.272  24.380 -10.444
  281   1HB   SER  89          1HB       SER  89   2.138  24.301 -12.285
  282   2HB   SER  89          2HB       SER  89   1.893  25.418 -10.947
  283    HG   SER  89           HG       SER  89   3.195  23.621 -10.364
  284    H    ALA  90           H        ALA  90  -1.911  23.855 -12.815
  285    HA   ALA  90           HA       ALA  90  -1.423  26.072 -14.695
  286   1HB   ALA  90          1HB       ALA  90  -3.565  23.954 -14.351
  287   2HB   ALA  90          2HB       ALA  90  -3.576  25.131 -15.664
  288   3HB   ALA  90          3HB       ALA  90  -2.258  23.967 -15.534
  289    H1   FUC  91           H1       FUC  91   8.787  -0.861  -7.409
  290    H2   FUC  91           H2       FUC  91  10.743   0.646  -7.600
  291    H3   FUC  91           H3       FUC  91   9.816   0.958 -10.498
  292    H4   FUC  91           H4       FUC  91   9.503   3.322  -9.860
  293    H5   FUC  91           H5       FUC  91   7.625   1.719  -9.694
  294   1H6   FUC  91          1H6       FUC  91   7.860   3.985  -7.740
  295   2H6   FUC  91          2H6       FUC  91   6.523   2.825  -7.477
  296   3H6   FUC  91          3H6       FUC  91   6.656   3.700  -9.032
  297    HO2  FUC  91           HO2      FUC  91  11.553  -1.222  -8.252
  298    HO3  FUC  91           HO3      FUC  91  11.711   1.976 -10.803
  299    HO4  FUC  91           HO4      FUC  91  10.348   3.989  -8.032
  Start of MODEL   14
    1   1H    SER  45          1H        SER  45 -11.209 -18.616  -8.382
    2   2H    SER  45          2H        SER  45 -10.675 -20.145  -7.869
    3   3H    SER  45          3H        SER  45  -9.723 -18.767  -7.576
    4    HA   SER  45           HA       SER  45  -8.754 -19.944  -9.413
    5   1HB   SER  45          1HB       SER  45 -10.651 -21.285  -9.998
    6   2HB   SER  45          2HB       SER  45 -11.643 -19.864 -10.315
    7    HG   SER  45           HG       SER  45 -10.659 -19.581 -12.196
    8    H    ASP  46           H        ASP  46  -7.480 -18.357 -10.264
    9    HA   ASP  46           HA       ASP  46  -8.756 -16.083 -11.710
   10   1HB   ASP  46          1HB       ASP  46  -7.035 -16.026  -9.248
   11   2HB   ASP  46          2HB       ASP  46  -6.926 -14.693 -10.397
   12    H    GLY  47           H        GLY  47  -5.435 -16.776 -10.584
   13   1HA   GLY  47          1HA       GLY  47  -3.804 -17.847 -12.152
   14   2HA   GLY  47          2HA       GLY  47  -4.599 -16.958 -13.453
   15    H    ASP  48           H        ASP  48  -2.889 -15.669 -14.119
   16    HA   ASP  48           HA       ASP  48  -1.775 -13.771 -12.074
   17   1HB   ASP  48          1HB       ASP  48  -0.542 -15.318 -14.351
   18   2HB   ASP  48          2HB       ASP  48   0.227 -13.850 -13.748
   19    H    GLN  49           H        GLN  49  -1.159 -11.648 -13.001
   20    HA   GLN  49           HA       GLN  49  -2.520 -10.968 -15.578
   21   1HB   GLN  49          1HB       GLN  49  -2.804  -9.641 -12.866
   22   2HB   GLN  49          2HB       GLN  49  -3.400  -8.933 -14.367
   23   1HG   GLN  49          1HG       GLN  49  -4.493 -11.380 -14.598
   24   2HG   GLN  49          2HG       GLN  49  -4.423 -11.275 -12.839
   25   1HE2  GLN  49          2HE2      GLN  49  -6.794 -11.059 -12.723
   26   2HE2  GLN  49          1HE2      GLN  49  -7.555  -9.608 -13.163
   27    H    CYS  50           H        CYS  50   0.358 -11.278 -14.664
   28    HA   CYS  50           HA       CYS  50   1.303  -8.609 -15.606
   29   1HB   CYS  50          1HB       CYS  50   1.283  -8.732 -13.098
   30   2HB   CYS  50          2HB       CYS  50   2.380 -10.109 -13.196
   31    H    ALA  51           H        ALA  51   1.185 -10.875 -17.209
   32    HA   ALA  51           HA       ALA  51   3.767 -12.298 -17.125
   33   1HB   ALA  51          1HB       ALA  51   1.187 -12.386 -18.629
   34   2HB   ALA  51          2HB       ALA  51   2.605 -13.087 -19.410
   35   3HB   ALA  51          3HB       ALA  51   2.069 -13.696 -17.844
   36    H    SER  52           H        SER  52   2.100  -9.976 -19.275
   37    HA   SER  52           HA       SER  52   4.692  -9.510 -20.704
   38   1HB   SER  52          1HB       SER  52   2.854 -10.252 -22.104
   39   2HB   SER  52          2HB       SER  52   1.780  -9.040 -21.412
   40    HG   SER  52           HG       SER  52   2.562  -7.655 -22.774
   41    H    SER  53           H        SER  53   3.819  -8.315 -18.057
   42    HA   SER  53           HA       SER  53   3.812  -6.207 -16.990
   43   1HB   SER  53          1HB       SER  53   6.013  -6.167 -18.041
   44   2HB   SER  53          2HB       SER  53   5.312  -5.637 -19.567
   45    HG   SER  53           HG       SER  53   6.034  -3.822 -18.546
   46    HA   PRO  54           HA       PRO  54   0.214  -4.636 -19.354
   47   1HB   PRO  54          1HB       PRO  54  -1.291  -3.999 -17.159
   48   2HB   PRO  54          2HB       PRO  54  -1.241  -5.632 -17.854
   49   1HG   PRO  54          1HG       PRO  54   0.165  -4.546 -15.468
   50   2HG   PRO  54          2HG       PRO  54  -0.564  -6.138 -15.721
   51   1HD   PRO  54          1HD       PRO  54   2.119  -5.660 -15.877
   52   2HD   PRO  54          2HD       PRO  54   1.298  -6.970 -16.752
   53    H    CYS  55           H        CYS  55   1.882  -3.259 -16.549
   54    HA   CYS  55           HA       CYS  55   1.059  -0.505 -17.239
   55   1HB   CYS  55          1HB       CYS  55   2.796  -1.757 -15.091
   56   2HB   CYS  55          2HB       CYS  55   2.448  -0.030 -15.181
   57    H    GLN  56           H        GLN  56   2.838   1.173 -17.429
   58    HA   GLN  56           HA       GLN  56   5.405   0.139 -18.528
   59   1HB   GLN  56          1HB       GLN  56   5.037   1.477 -20.592
   60   2HB   GLN  56          2HB       GLN  56   3.795   0.247 -20.386
   61   1HG   GLN  56          1HG       GLN  56   2.685   2.358 -19.030
   62   2HG   GLN  56          2HG       GLN  56   3.557   3.190 -20.318
   63   1HE2  GLN  56          2HE2      GLN  56   1.774   0.045 -20.251
   64   2HE2  GLN  56          1HE2      GLN  56   0.778   0.421 -21.574
   65    H    ASN  57           H        ASN  57   6.249   2.650 -19.587
   66    HA   ASN  57           HA       ASN  57   7.337   4.615 -18.871
   67   1HB   ASN  57          1HB       ASN  57   4.700   4.675 -17.381
   68   2HB   ASN  57          2HB       ASN  57   5.818   6.038 -17.398
   69   1HD2  ASN  57          2HD2      ASN  57   3.136   6.071 -18.588
   70   2HD2  ASN  57          1HD2      ASN  57   3.338   6.315 -20.256
   71    H    GLY  58           H        GLY  58   8.448   2.475 -17.617
   72   1HA   GLY  58          1HA       GLY  58   9.723   1.882 -15.741
   73   2HA   GLY  58          2HA       GLY  58   9.557   3.560 -15.225
   74    H    GLY  59           H        GLY  59   6.709   1.605 -15.774
   75   1HA   GLY  59          1HA       GLY  59   5.897   1.987 -12.985
   76   2HA   GLY  59          2HA       GLY  59   4.937   1.216 -14.249
   77    H    SER  60           H        SER  60   6.044   0.472 -11.382
   78    HA   SER  60           HA       SER  60   7.419  -2.079 -11.983
   79   1HB   SER  60          1HB       SER  60   6.517  -0.738  -9.414
   80   2HB   SER  60          2HB       SER  60   7.537  -2.170  -9.499
   81    H    CYS  61           H        CYS  61   6.157  -3.814 -12.511
   82    HA   CYS  61           HA       CYS  61   3.316  -3.924 -11.697
   83   1HB   CYS  61          1HB       CYS  61   4.115  -4.444 -13.997
   84   2HB   CYS  61          2HB       CYS  61   5.065  -5.780 -13.348
   85    H    LYS  62           H        LYS  62   2.452  -5.623 -10.411
   86    HA   LYS  62           HA       LYS  62   4.325  -7.547  -9.137
   87   1HB   LYS  62          1HB       LYS  62   3.702  -5.100  -7.985
   88   2HB   LYS  62          2HB       LYS  62   2.540  -6.189  -7.230
   89   1HG   LYS  62          1HG       LYS  62   4.251  -6.644  -5.799
   90   2HG   LYS  62          2HG       LYS  62   4.810  -7.700  -7.096
   91   1HD   LYS  62          1HD       LYS  62   5.582  -4.835  -7.298
   92   2HD   LYS  62          2HD       LYS  62   6.361  -5.771  -6.022
   93   1HE   LYS  62          1HE       LYS  62   6.223  -7.123  -8.662
   94   2HE   LYS  62          2HE       LYS  62   7.292  -5.708  -8.578
   95   1HZ   LYS  62          1HZ       LYS  62   7.264  -7.965  -6.642
   96   2HZ   LYS  62          2HZ       LYS  62   8.437  -7.722  -7.846
   97   3HZ   LYS  62          3HZ       LYS  62   8.286  -6.610  -6.574
   98    H    ASP  63           H        ASP  63   3.301  -9.498  -9.225
   99    HA   ASP  63           HA       ASP  63   0.494  -9.772  -9.890
  100   1HB   ASP  63          1HB       ASP  63   1.017 -12.190  -9.583
  101   2HB   ASP  63          2HB       ASP  63   2.234 -11.373 -10.563
  102    H    GLN  64           H        GLN  64  -1.188  -9.618  -8.475
  103    HA   GLN  64           HA       GLN  64  -0.685 -10.242  -5.581
  104   1HB   GLN  64          1HB       GLN  64  -2.227  -8.079  -7.007
  105   2HB   GLN  64          2HB       GLN  64  -2.647  -8.527  -5.353
  106   1HG   GLN  64          1HG       GLN  64   0.193  -7.873  -6.146
  107   2HG   GLN  64          2HG       GLN  64  -0.941  -6.621  -5.641
  108   1HE2  GLN  64          2HE2      GLN  64   0.396  -6.259  -3.679
  109   2HE2  GLN  64          1HE2      GLN  64   0.313  -7.347  -2.380
  110    H    LEU  65           H        LEU  65  -3.238 -10.300  -4.648
  111    HA   LEU  65           HA       LEU  65  -4.256 -12.845  -5.499
  112   1HB   LEU  65          1HB       LEU  65  -4.487 -11.381  -3.298
  113   2HB   LEU  65          2HB       LEU  65  -5.937 -10.783  -4.100
  114    HG   LEU  65           HG       LEU  65  -6.480 -12.693  -2.648
  115   1HD1  LEU  65          1HD1      LEU  65  -7.415 -12.316  -5.125
  116   2HD1  LEU  65          2HD1      LEU  65  -6.665 -13.892  -5.374
  117   3HD1  LEU  65          3HD1      LEU  65  -7.914 -13.696  -4.145
  118   1HD2  LEU  65          1HD2      LEU  65  -4.039 -13.668  -3.257
  119   2HD2  LEU  65          2HD2      LEU  65  -5.346 -14.688  -2.659
  120   3HD2  LEU  65          3HD2      LEU  65  -5.012 -14.608  -4.388
  121    H    GLN  66           H        GLN  66  -5.745 -13.352  -7.064
  122    HA   GLN  66           HA       GLN  66  -7.202 -13.095  -8.890
  123   1HB   GLN  66          1HB       GLN  66  -7.970 -11.008  -6.879
  124   2HB   GLN  66          2HB       GLN  66  -8.760 -10.980  -8.456
  125   1HG   GLN  66          1HG       GLN  66  -9.810 -13.010  -8.123
  126   2HG   GLN  66          2HG       GLN  66  -8.545 -13.607  -7.047
  127   1HE2  GLN  66          2HE2      GLN  66 -10.106 -14.159  -5.357
  128   2HE2  GLN  66          1HE2      GLN  66 -10.880 -12.953  -4.446
  129    H    SER  67           H        SER  67  -6.991  -9.582  -8.387
  130    HA   SER  67           HA       SER  67  -6.034  -9.235 -11.145
  131   1HB   SER  67          1HB       SER  67  -6.542  -6.917 -10.702
  132   2HB   SER  67          2HB       SER  67  -7.808  -7.873  -9.936
  133    HG   SER  67           HG       SER  67  -5.630  -6.504  -8.789
  134    H    TYR  68           H        TYR  68  -4.476  -6.875 -10.713
  135    HA   TYR  68           HA       TYR  68  -2.101  -7.897  -9.201
  136   1HB   TYR  68          1HB       TYR  68  -0.716  -7.139 -11.125
  137   2HB   TYR  68          2HB       TYR  68  -1.871  -8.381 -11.605
  138    HD1  TYR  68           HD1      TYR  68  -3.969  -7.737 -12.814
  139    HD2  TYR  68           HD2      TYR  68  -0.845  -4.906 -11.992
  140    HE1  TYR  68           HE1      TYR  68  -4.919  -6.198 -14.510
  141    HE2  TYR  68           HE2      TYR  68  -1.795  -3.366 -13.688
  142    HH   TYR  68           HH       TYR  68  -4.808  -3.538 -14.842
  143    H    ILE  69           H        ILE  69  -0.382  -5.836  -9.521
  144    HA   ILE  69           HA       ILE  69  -1.808  -3.289  -8.978
  145    HB   ILE  69           HB       ILE  69  -1.708  -4.578  -6.867
  146   1HG1  ILE  69          1HG1      ILE  69   0.363  -2.494  -6.416
  147   2HG1  ILE  69          2HG1      ILE  69  -1.129  -1.960  -7.194
  148   1HG2  ILE  69          1HG2      ILE  69   0.300  -5.913  -7.375
  149   2HG2  ILE  69          2HG2      ILE  69   1.294  -4.459  -7.283
  150   3HG2  ILE  69          3HG2      ILE  69   0.482  -5.064  -5.840
  151   1HD1  ILE  69          1HD1      ILE  69  -2.163  -3.512  -5.229
  152   2HD1  ILE  69          2HD1      ILE  69  -0.689  -2.961  -4.434
  153   3HD1  ILE  69          3HD1      ILE  69  -1.860  -1.785  -5.032
  154    H    CYS  70           H        CYS  70  -0.546  -1.507  -9.540
  155    HA   CYS  70           HA       CYS  70   2.272  -2.068 -10.412
  156   1HB   CYS  70          1HB       CYS  70   0.007  -0.435 -11.542
  157   2HB   CYS  70          2HB       CYS  70   1.675  -0.051 -11.968
  158    H    PHE  71           H        PHE  71   3.803  -0.872  -9.359
  159    HA   PHE  71           HA       PHE  71   2.919   1.395  -7.631
  160   1HB   PHE  71          1HB       PHE  71   5.484  -0.227  -7.792
  161   2HB   PHE  71          2HB       PHE  71   5.146   1.009  -6.581
  162    HD1  PHE  71           HD1      PHE  71   2.647   0.681  -5.494
  163    HD2  PHE  71           HD2      PHE  71   5.158  -2.417  -7.091
  164    HE1  PHE  71           HE1      PHE  71   1.455  -0.998  -4.111
  165    HE2  PHE  71           HE2      PHE  71   3.967  -4.095  -5.709
  166    HZ   PHE  71           HZ       PHE  71   2.116  -3.387  -4.219
  167    H    CYS  72           H        CYS  72   3.069   3.356  -8.668
  168    HA   CYS  72           HA       CYS  72   5.459   3.840 -10.421
  169   1HB   CYS  72          1HB       CYS  72   2.537   4.539 -10.652
  170   2HB   CYS  72          2HB       CYS  72   3.749   5.498 -11.502
  171    H    LEU  73           H        LEU  73   5.645   6.400 -10.690
  172    HA   LEU  73           HA       LEU  73   6.049   7.486  -7.985
  173   1HB   LEU  73          1HB       LEU  73   6.642   8.359 -10.821
  174   2HB   LEU  73          2HB       LEU  73   7.004   9.386  -9.434
  175    HG   LEU  73           HG       LEU  73   7.942   6.530  -9.456
  176   1HD1  LEU  73          1HD1      LEU  73   8.978   8.820 -11.078
  177   2HD1  LEU  73          2HD1      LEU  73  10.153   7.746 -10.318
  178   3HD1  LEU  73          3HD1      LEU  73   8.968   7.096 -11.451
  179   1HD2  LEU  73          1HD2      LEU  73   8.685   9.125  -8.117
  180   2HD2  LEU  73          2HD2      LEU  73   8.323   7.565  -7.380
  181   3HD2  LEU  73          3HD2      LEU  73   9.856   7.810  -8.216
  182    HA   PRO  74           HA       PRO  74   2.456  10.024  -7.820
  183   1HB   PRO  74          1HB       PRO  74   3.398  12.416  -6.869
  184   2HB   PRO  74          2HB       PRO  74   3.222  10.967  -5.859
  185   1HG   PRO  74          1HG       PRO  74   5.662  12.072  -7.169
  186   2HG   PRO  74          2HG       PRO  74   5.467  11.384  -5.548
  187   1HD   PRO  74          1HD       PRO  74   6.546   9.986  -7.590
  188   2HD   PRO  74          2HD       PRO  74   5.588   9.213  -6.306
  189    H    ALA  75           H        ALA  75   5.060  10.877  -9.901
  190    HA   ALA  75           HA       ALA  75   3.697  13.204 -11.102
  191   1HB   ALA  75          1HB       ALA  75   6.324  11.811 -11.228
  192   2HB   ALA  75          2HB       ALA  75   5.822  12.662 -12.688
  193   3HB   ALA  75          3HB       ALA  75   5.972  13.538 -11.165
  194    H    PHE  76           H        PHE  76   3.798   9.757 -11.546
  195    HA   PHE  76           HA       PHE  76   2.917   9.949 -14.383
  196   1HB   PHE  76          1HB       PHE  76   3.874   7.794 -12.507
  197   2HB   PHE  76          2HB       PHE  76   3.060   7.364 -14.011
  198    HD1  PHE  76           HD1      PHE  76   5.993   9.105 -12.558
  199    HD2  PHE  76           HD2      PHE  76   4.122   7.665 -16.147
  200    HE1  PHE  76           HE1      PHE  76   8.097   9.496 -13.812
  201    HE2  PHE  76           HE2      PHE  76   6.225   8.056 -17.400
  202    HZ   PHE  76           HZ       PHE  76   8.212   8.972 -16.234
  203    H    GLU  77           H        GLU  77   0.942   8.771 -15.023
  204    HA   GLU  77           HA       GLU  77  -1.003   8.143 -12.868
  205   1HB   GLU  77          1HB       GLU  77  -0.859  10.667 -13.872
  206   2HB   GLU  77          2HB       GLU  77  -1.989   9.941 -15.016
  207   1HG   GLU  77          1HG       GLU  77  -3.501  10.565 -13.398
  208   2HG   GLU  77          2HG       GLU  77  -3.051   8.991 -12.741
  209    H    GLY  78           H        GLY  78  -3.199   7.533 -14.100
  210   1HA   GLY  78          1HA       GLY  78  -4.164   6.557 -16.141
  211   2HA   GLY  78          2HA       GLY  78  -2.539   6.056 -16.610
  212    H    ARG  79           H        ARG  79  -4.928   4.367 -16.300
  213    HA   ARG  79           HA       ARG  79  -4.924   2.857 -13.877
  214   1HB   ARG  79          1HB       ARG  79  -6.547   2.900 -15.891
  215   2HB   ARG  79          2HB       ARG  79  -5.444   1.745 -16.639
  216   1HG   ARG  79          1HG       ARG  79  -5.682   0.507 -14.307
  217   2HG   ARG  79          2HG       ARG  79  -7.198   1.406 -14.235
  218   1HD   ARG  79          1HD       ARG  79  -6.642   0.066 -16.828
  219   2HD   ARG  79          2HD       ARG  79  -6.988  -1.010 -15.458
  220    HE   ARG  79           HE       ARG  79  -8.784   1.316 -15.755
  221   1HH1  ARG  79          1HH1      ARG  79  -8.228  -1.997 -16.678
  222   2HH1  ARG  79          2HH1      ARG  79  -9.912  -2.387 -16.700
  223   1HH2  ARG  79          1HH2      ARG  79 -10.960   0.741 -15.658
  224   2HH2  ARG  79          2HH2      ARG  79 -11.445  -0.853 -16.129
  225    H    ASN  80           H        ASN  80  -2.989   2.546 -16.840
  226    HA   ASN  80           HA       ASN  80  -1.395   0.368 -15.528
  227   1HB   ASN  80          1HB       ASN  80  -1.939   1.123 -18.415
  228   2HB   ASN  80          2HB       ASN  80  -0.769  -0.109 -17.944
  229   1HD2  ASN  80          2HD2      ASN  80  -1.948  -1.607 -16.035
  230   2HD2  ASN  80          1HD2      ASN  80  -3.444  -2.230 -16.542
  231    H    CYS  81           H        CYS  81  -1.060   3.298 -15.104
  232    HA   CYS  81           HA       CYS  81   0.669   4.907 -15.043
  233   1HB   CYS  81          1HB       CYS  81   2.063   2.242 -15.322
  234   2HB   CYS  81          2HB       CYS  81   2.983   3.738 -15.155
  235    H    GLU  82           H        GLU  82  -0.599   4.637 -17.590
  236    HA   GLU  82           HA       GLU  82   1.671   4.859 -19.528
  237   1HB   GLU  82          1HB       GLU  82  -0.130   4.485 -21.207
  238   2HB   GLU  82          2HB       GLU  82  -0.068   3.191 -20.012
  239   1HG   GLU  82          1HG       GLU  82  -1.989   3.998 -18.875
  240   2HG   GLU  82          2HG       GLU  82  -1.902   5.569 -19.674
  241    H    THR  83           H        THR  83   0.625   6.985 -17.575
  242    HA   THR  83           HA       THR  83   0.257   9.132 -19.622
  243    HB   THR  83           HB       THR  83  -1.341   8.769 -17.065
  244    HG1  THR  83           HG1      THR  83  -2.155   8.525 -19.769
  245   1HG2  THR  83          1HG2      THR  83  -0.822  11.128 -18.096
  246   2HG2  THR  83          2HG2      THR  83  -2.012  10.649 -19.308
  247   3HG2  THR  83          3HG2      THR  83  -2.471  10.735 -17.607
  248    H    HIS  84           H        HIS  84   2.286  10.073 -19.273
  249    HA   HIS  84           HA       HIS  84   3.438  10.424 -16.616
  250   1HB   HIS  84          1HB       HIS  84   4.592  10.158 -18.898
  251   2HB   HIS  84          2HB       HIS  84   4.173  11.848 -19.184
  252    HD1  HIS  84           HD1      HIS  84   7.024  10.164 -18.303
  253    HD2  HIS  84           HD2      HIS  84   4.953  13.215 -16.357
  254    HE1  HIS  84           HE1      HIS  84   8.678  11.264 -16.734
  255    H    LYS  85           H        LYS  85   1.819  11.652 -15.456
  256    HA   LYS  85           HA       LYS  85   0.895  14.243 -16.472
  257   1HB   LYS  85          1HB       LYS  85   0.618  12.617 -13.945
  258   2HB   LYS  85          2HB       LYS  85   0.008  14.271 -14.021
  259   1HG   LYS  85          1HG       LYS  85  -0.707  12.264 -16.154
  260   2HG   LYS  85          2HG       LYS  85  -1.618  12.345 -14.646
  261   1HD   LYS  85          1HD       LYS  85  -2.846  13.907 -15.769
  262   2HD   LYS  85          2HD       LYS  85  -1.530  14.985 -15.302
  263   1HE   LYS  85          1HE       LYS  85  -0.658  15.062 -17.435
  264   2HE   LYS  85          2HE       LYS  85  -1.150  13.397 -17.805
  265   1HZ   LYS  85          1HZ       LYS  85  -3.015  15.686 -17.461
  266   2HZ   LYS  85          2HZ       LYS  85  -2.536  15.047 -18.960
  267   3HZ   LYS  85          3HZ       LYS  85  -3.442  14.099 -17.880
  268    H    ASP  86           H        ASP  86   3.014  15.297 -16.755
  269    HA   ASP  86           HA       ASP  86   4.836  15.691 -14.531
  270   1HB   ASP  86          1HB       ASP  86   5.853  17.329 -16.112
  271   2HB   ASP  86          2HB       ASP  86   5.513  15.786 -16.893
  272    H    ASP  87           H        ASP  87   2.980  16.363 -13.011
  273    HA   ASP  87           HA       ASP  87   1.582  18.839 -13.271
  274   1HB   ASP  87          1HB       ASP  87   2.545  17.217 -10.897
  275   2HB   ASP  87          2HB       ASP  87   1.458  18.598 -10.740
  276    H    GLY  88           H        GLY  88   2.029  20.841 -11.988
  277   1HA   GLY  88          1HA       GLY  88   3.691  22.176 -10.710
  278   2HA   GLY  88          2HA       GLY  88   4.955  21.334 -11.607
  279    H    SER  89           H        SER  89   1.986  22.512 -13.086
  280    HA   SER  89           HA       SER  89   3.164  24.982 -14.107
  281   1HB   SER  89          1HB       SER  89   3.098  24.045 -16.505
  282   2HB   SER  89          2HB       SER  89   4.418  23.489 -15.480
  283    HG   SER  89           HG       SER  89   3.436  21.730 -16.488
  284    H    ALA  90           H        ALA  90   0.734  22.430 -14.702
  285    HA   ALA  90           HA       ALA  90  -1.340  24.574 -14.980
  286   1HB   ALA  90          1HB       ALA  90  -0.408  22.508 -16.870
  287   2HB   ALA  90          2HB       ALA  90  -2.161  22.583 -16.689
  288   3HB   ALA  90          3HB       ALA  90  -1.264  24.016 -17.191
  289    H1   FUC  91           H1       FUC  91   9.276  -1.145  -8.469
  290    H2   FUC  91           H2       FUC  91  11.154   0.465  -8.533
  291    H3   FUC  91           H3       FUC  91   9.701   1.578 -10.984
  292    H4   FUC  91           H4       FUC  91   9.502   3.616  -9.605
  293    H5   FUC  91           H5       FUC  91   7.697   1.925  -9.611
  294   1H6   FUC  91          1H6       FUC  91   8.194   3.045  -6.807
  295   2H6   FUC  91          2H6       FUC  91   7.325   3.872  -8.136
  296   3H6   FUC  91          3H6       FUC  91   6.640   2.389  -7.406
  297    HO2  FUC  91           HO2      FUC  91  10.680  -0.579 -11.160
  298    HO3  FUC  91           HO3      FUC  91  11.629   2.323 -11.454
  299    HO4  FUC  91           HO4      FUC  91  10.213   3.603  -7.490
  Start of MODEL   15
    1   1H    SER  45          1H        SER  45  -8.490 -16.248  -6.967
    2   2H    SER  45          2H        SER  45  -9.274 -17.748  -6.872
    3   3H    SER  45          3H        SER  45  -7.592 -17.655  -6.652
    4    HA   SER  45           HA       SER  45  -7.955 -18.490  -8.846
    5   1HB   SER  45          1HB       SER  45  -9.411 -16.939 -10.328
    6   2HB   SER  45          2HB       SER  45 -10.239 -17.921  -9.125
    7    HG   SER  45           HG       SER  45 -10.379 -16.147  -7.799
    8    H    ASP  46           H        ASP  46  -5.990 -16.836  -7.527
    9    HA   ASP  46           HA       ASP  46  -5.316 -14.637  -9.381
   10   1HB   ASP  46          1HB       ASP  46  -5.060 -14.623  -6.854
   11   2HB   ASP  46          2HB       ASP  46  -3.758 -15.797  -7.053
   12    H    GLY  47           H        GLY  47  -4.043 -14.963 -11.156
   13   1HA   GLY  47          1HA       GLY  47  -2.211 -17.329 -11.168
   14   2HA   GLY  47          2HA       GLY  47  -3.145 -16.872 -12.593
   15    H    ASP  48           H        ASP  48  -1.565 -16.203 -14.005
   16    HA   ASP  48           HA       ASP  48   0.644 -14.466 -13.082
   17   1HB   ASP  48          1HB       ASP  48   0.474 -16.477 -14.869
   18   2HB   ASP  48          2HB       ASP  48   0.162 -15.119 -15.951
   19    H    GLN  49           H        GLN  49   0.423 -12.272 -13.114
   20    HA   GLN  49           HA       GLN  49  -1.640 -11.062 -14.924
   21   1HB   GLN  49          1HB       GLN  49  -0.420 -10.136 -12.302
   22   2HB   GLN  49          2HB       GLN  49  -1.640  -9.247 -13.215
   23   1HG   GLN  49          1HG       GLN  49  -3.327 -10.672 -12.613
   24   2HG   GLN  49          2HG       GLN  49  -2.275 -12.088 -12.627
   25   1HE2  GLN  49          2HE2      GLN  49  -1.702 -12.877 -10.594
   26   2HE2  GLN  49          1HE2      GLN  49  -1.784 -11.991  -9.149
   27    H    CYS  50           H        CYS  50   1.732 -11.001 -13.928
   28    HA   CYS  50           HA       CYS  50   2.280  -8.646 -15.676
   29   1HB   CYS  50          1HB       CYS  50   3.076  -8.816 -13.278
   30   2HB   CYS  50          2HB       CYS  50   4.099 -10.161 -13.781
   31    H    ALA  51           H        ALA  51   1.675 -11.474 -16.625
   32    HA   ALA  51           HA       ALA  51   4.017 -12.817 -17.524
   33   1HB   ALA  51          1HB       ALA  51   1.356 -13.253 -17.597
   34   2HB   ALA  51          2HB       ALA  51   1.598 -12.730 -19.264
   35   3HB   ALA  51          3HB       ALA  51   2.480 -14.124 -18.640
   36    H    SER  52           H        SER  52   2.391  -9.953 -18.759
   37    HA   SER  52           HA       SER  52   4.474  -9.759 -20.910
   38   1HB   SER  52          1HB       SER  52   1.613  -8.810 -21.141
   39   2HB   SER  52          2HB       SER  52   2.779  -9.063 -22.437
   40    HG   SER  52           HG       SER  52   1.021 -10.768 -21.559
   41    H    SER  53           H        SER  53   4.074  -8.512 -18.104
   42    HA   SER  53           HA       SER  53   4.333  -6.394 -17.088
   43   1HB   SER  53          1HB       SER  53   6.385  -6.569 -18.415
   44   2HB   SER  53          2HB       SER  53   5.547  -5.949 -19.835
   45    HG   SER  53           HG       SER  53   5.734  -3.997 -19.068
   46    HA   PRO  54           HA       PRO  54   0.646  -4.639 -19.286
   47   1HB   PRO  54          1HB       PRO  54  -0.910  -4.342 -17.055
   48   2HB   PRO  54          2HB       PRO  54  -0.848  -5.846 -17.995
   49   1HG   PRO  54          1HG       PRO  54   0.505  -5.156 -15.437
   50   2HG   PRO  54          2HG       PRO  54  -0.225  -6.684 -15.952
   51   1HD   PRO  54          1HD       PRO  54   2.462  -6.215 -15.971
   52   2HD   PRO  54          2HD       PRO  54   1.654  -7.359 -17.064
   53    H    CYS  55           H        CYS  55   2.381  -3.720 -16.360
   54    HA   CYS  55           HA       CYS  55   1.437  -1.023 -16.097
   55   1HB   CYS  55          1HB       CYS  55   4.129  -2.265 -15.427
   56   2HB   CYS  55          2HB       CYS  55   3.505  -0.762 -14.754
   57    H    GLN  56           H        GLN  56   2.498   0.955 -16.795
   58    HA   GLN  56           HA       GLN  56   4.291   0.617 -19.181
   59   1HB   GLN  56          1HB       GLN  56   1.693   1.395 -19.223
   60   2HB   GLN  56          2HB       GLN  56   2.473   2.959 -18.985
   61   1HG   GLN  56          1HG       GLN  56   3.473   2.930 -21.048
   62   2HG   GLN  56          2HG       GLN  56   3.681   1.178 -21.038
   63   1HE2  GLN  56          2HE2      GLN  56   1.346  -0.001 -21.021
   64   2HE2  GLN  56          1HE2      GLN  56   0.251   0.610 -22.163
   65    H    ASN  57           H        ASN  57   5.393   2.836 -19.671
   66    HA   ASN  57           HA       ASN  57   6.967   4.447 -18.964
   67   1HB   ASN  57          1HB       ASN  57   4.588   4.733 -17.139
   68   2HB   ASN  57          2HB       ASN  57   5.992   5.780 -16.934
   69   1HD2  ASN  57          2HD2      ASN  57   3.271   5.038 -19.044
   70   2HD2  ASN  57          1HD2      ASN  57   3.503   6.339 -20.109
   71    H    GLY  58           H        GLY  58   7.723   1.907 -18.136
   72   1HA   GLY  58          1HA       GLY  58   9.146   0.835 -16.608
   73   2HA   GLY  58          2HA       GLY  58   9.500   2.439 -15.968
   74    H    GLY  59           H        GLY  59   6.243   1.136 -16.056
   75   1HA   GLY  59          1HA       GLY  59   5.920   1.567 -13.202
   76   2HA   GLY  59          2HA       GLY  59   4.714   0.868 -14.283
   77    H    SER  60           H        SER  60   5.892   0.037 -11.565
   78    HA   SER  60           HA       SER  60   7.093  -2.597 -12.187
   79   1HB   SER  60          1HB       SER  60   6.344  -1.215  -9.589
   80   2HB   SER  60          2HB       SER  60   7.313  -2.680  -9.723
   81    H    CYS  61           H        CYS  61   5.822  -4.390 -12.424
   82    HA   CYS  61           HA       CYS  61   2.953  -4.255 -11.772
   83   1HB   CYS  61          1HB       CYS  61   2.896  -6.309 -13.106
   84   2HB   CYS  61          2HB       CYS  61   3.878  -5.096 -13.923
   85    H    LYS  62           H        LYS  62   2.014  -5.275 -10.041
   86    HA   LYS  62           HA       LYS  62   3.700  -7.159  -8.425
   87   1HB   LYS  62          1HB       LYS  62   2.497  -4.600  -7.800
   88   2HB   LYS  62          2HB       LYS  62   1.782  -5.848  -6.781
   89   1HG   LYS  62          1HG       LYS  62   4.740  -5.927  -7.112
   90   2HG   LYS  62          2HG       LYS  62   4.084  -4.611  -6.138
   91   1HD   LYS  62          1HD       LYS  62   3.216  -6.047  -4.531
   92   2HD   LYS  62          2HD       LYS  62   3.083  -7.395  -5.661
   93   1HE   LYS  62          1HE       LYS  62   5.261  -8.057  -5.330
   94   2HE   LYS  62          2HE       LYS  62   5.839  -6.391  -5.129
   95   1HZ   LYS  62          1HZ       LYS  62   4.598  -6.321  -3.005
   96   2HZ   LYS  62          2HZ       LYS  62   4.262  -7.978  -3.174
   97   3HZ   LYS  62          3HZ       LYS  62   5.865  -7.453  -2.997
   98    H    ASP  63           H        ASP  63   2.766  -9.156  -8.501
   99    HA   ASP  63           HA       ASP  63   0.065  -9.635  -9.402
  100   1HB   ASP  63          1HB       ASP  63   0.630 -11.976  -8.743
  101   2HB   ASP  63          2HB       ASP  63   1.913 -11.225  -9.689
  102    H    GLN  64           H        GLN  64  -1.683  -9.067  -8.169
  103    HA   GLN  64           HA       GLN  64  -1.564  -9.595  -5.214
  104   1HB   GLN  64          1HB       GLN  64  -2.718  -7.375  -6.897
  105   2HB   GLN  64          2HB       GLN  64  -3.353  -7.687  -5.281
  106   1HG   GLN  64          1HG       GLN  64  -0.391  -7.373  -5.769
  107   2HG   GLN  64          2HG       GLN  64  -1.429  -5.975  -5.484
  108   1HE2  GLN  64          2HE2      GLN  64  -0.431  -5.546  -3.379
  109   2HE2  GLN  64          1HE2      GLN  64  -0.729  -6.551  -2.045
  110    H    LEU  65           H        LEU  65  -4.102  -9.516  -4.468
  111    HA   LEU  65           HA       LEU  65  -5.306 -11.930  -5.404
  112   1HB   LEU  65          1HB       LEU  65  -5.586 -10.487  -3.230
  113   2HB   LEU  65          2HB       LEU  65  -6.849  -9.667  -4.151
  114    HG   LEU  65           HG       LEU  65  -6.887 -12.642  -4.198
  115   1HD1  LEU  65          1HD1      LEU  65  -6.462 -11.589  -1.757
  116   2HD1  LEU  65          2HD1      LEU  65  -8.207 -11.357  -1.858
  117   3HD1  LEU  65          3HD1      LEU  65  -7.522 -12.974  -2.014
  118   1HD2  LEU  65          1HD2      LEU  65  -8.525 -10.733  -5.161
  119   2HD2  LEU  65          2HD2      LEU  65  -9.122 -12.310  -4.644
  120   3HD2  LEU  65          3HD2      LEU  65  -9.238 -10.924  -3.559
  121    H    GLN  66           H        GLN  66  -7.086 -12.269  -6.805
  122    HA   GLN  66           HA       GLN  66  -8.420 -11.907  -8.707
  123   1HB   GLN  66          1HB       GLN  66  -8.571  -9.412  -7.058
  124   2HB   GLN  66          2HB       GLN  66  -9.296  -9.382  -8.666
  125   1HG   GLN  66          1HG       GLN  66  -9.891 -11.756  -6.969
  126   2HG   GLN  66          2HG       GLN  66 -10.648 -10.232  -6.504
  127   1HE2  GLN  66          2HE2      GLN  66 -11.734 -12.792  -7.898
  128   2HE2  GLN  66          1HE2      GLN  66 -12.556 -12.184  -9.253
  129    H    SER  67           H        SER  67  -7.209  -8.563  -8.728
  130    HA   SER  67           HA       SER  67  -5.917  -9.135 -11.362
  131   1HB   SER  67          1HB       SER  67  -6.292  -6.769 -11.764
  132   2HB   SER  67          2HB       SER  67  -7.780  -7.451 -11.115
  133    HG   SER  67           HG       SER  67  -7.552  -5.872  -9.728
  134    H    TYR  68           H        TYR  68  -4.275  -6.833 -11.410
  135    HA   TYR  68           HA       TYR  68  -2.279  -7.451  -9.254
  136   1HB   TYR  68          1HB       TYR  68  -0.587  -6.924 -11.008
  137   2HB   TYR  68          2HB       TYR  68  -1.631  -8.262 -11.481
  138    HD1  TYR  68           HD1      TYR  68  -0.864  -4.685 -12.022
  139    HD2  TYR  68           HD2      TYR  68  -3.230  -8.039 -13.291
  140    HE1  TYR  68           HE1      TYR  68  -1.533  -3.441 -14.060
  141    HE2  TYR  68           HE2      TYR  68  -3.899  -6.794 -15.330
  142    HH   TYR  68           HH       TYR  68  -3.736  -3.648 -15.697
  143    H    ILE  69           H        ILE  69  -0.518  -5.418  -9.617
  144    HA   ILE  69           HA       ILE  69  -2.037  -2.859  -9.612
  145    HB   ILE  69           HB       ILE  69  -2.131  -3.848  -7.344
  146   1HG1  ILE  69          1HG1      ILE  69  -0.153  -1.669  -6.953
  147   2HG1  ILE  69          2HG1      ILE  69  -1.536  -1.276  -7.975
  148   1HG2  ILE  69          1HG2      ILE  69   0.088  -5.088  -7.661
  149   2HG2  ILE  69          2HG2      ILE  69   0.877  -3.565  -7.251
  150   3HG2  ILE  69          3HG2      ILE  69  -0.180  -4.353  -6.079
  151   1HD1  ILE  69          1HD1      ILE  69  -2.802  -2.569  -5.957
  152   2HD1  ILE  69          2HD1      ILE  69  -1.442  -1.878  -5.071
  153   3HD1  ILE  69          3HD1      ILE  69  -2.536  -0.825  -5.968
  154    H    CYS  70           H        CYS  70  -0.835  -1.372 -10.718
  155    HA   CYS  70           HA       CYS  70   2.010  -1.925 -11.310
  156   1HB   CYS  70          1HB       CYS  70  -0.096   0.033 -12.238
  157   2HB   CYS  70          2HB       CYS  70   1.587   0.193 -12.737
  158    H    PHE  71           H        PHE  71   3.440  -1.241  -9.752
  159    HA   PHE  71           HA       PHE  71   2.853   1.140  -8.094
  160   1HB   PHE  71          1HB       PHE  71   4.906  -1.068  -8.178
  161   2HB   PHE  71          2HB       PHE  71   5.164   0.349  -7.160
  162    HD1  PHE  71           HD1      PHE  71   2.894   1.076  -5.832
  163    HD2  PHE  71           HD2      PHE  71   3.900  -2.889  -7.142
  164    HE1  PHE  71           HE1      PHE  71   1.375   0.124  -4.118
  165    HE2  PHE  71           HE2      PHE  71   2.381  -3.841  -5.428
  166    HZ   PHE  71           HZ       PHE  71   1.119  -2.334  -3.917
  167    H    CYS  72           H        CYS  72   3.135   2.946  -9.461
  168    HA   CYS  72           HA       CYS  72   5.757   3.189 -10.890
  169   1HB   CYS  72          1HB       CYS  72   3.078   4.577 -11.211
  170   2HB   CYS  72          2HB       CYS  72   4.502   4.919 -12.193
  171    H    LEU  73           H        LEU  73   5.966   5.874 -11.163
  172    HA   LEU  73           HA       LEU  73   6.741   6.767  -8.477
  173   1HB   LEU  73          1HB       LEU  73   6.847   7.981 -11.257
  174   2HB   LEU  73          2HB       LEU  73   7.575   8.726  -9.836
  175    HG   LEU  73           HG       LEU  73   8.262   5.874 -10.302
  176   1HD1  LEU  73          1HD1      LEU  73   8.816   8.049 -12.258
  177   2HD1  LEU  73          2HD1      LEU  73  10.166   6.989 -11.850
  178   3HD1  LEU  73          3HD1      LEU  73   8.681   6.309 -12.517
  179   1HD2  LEU  73          1HD2      LEU  73   9.860   8.358  -9.599
  180   2HD2  LEU  73          2HD2      LEU  73   9.205   7.200  -8.443
  181   3HD2  LEU  73          3HD2      LEU  73  10.472   6.704  -9.564
  182    HA   PRO  74           HA       PRO  74   3.216   9.242  -7.564
  183   1HB   PRO  74          1HB       PRO  74   4.300  11.564  -6.584
  184   2HB   PRO  74          2HB       PRO  74   4.269  10.041  -5.671
  185   1HG   PRO  74          1HG       PRO  74   6.491  11.253  -7.252
  186   2HG   PRO  74          2HG       PRO  74   6.539  10.457  -5.669
  187   1HD   PRO  74          1HD       PRO  74   7.297   9.198  -7.928
  188   2HD   PRO  74          2HD       PRO  74   6.512   8.337  -6.584
  189    H    ALA  75           H        ALA  75   5.594  10.422  -9.812
  190    HA   ALA  75           HA       ALA  75   3.934  12.696 -10.710
  191   1HB   ALA  75          1HB       ALA  75   6.672  11.639 -11.044
  192   2HB   ALA  75          2HB       ALA  75   6.006  12.418 -12.479
  193   3HB   ALA  75          3HB       ALA  75   6.117  13.311 -10.962
  194    H    PHE  76           H        PHE  76   3.388   9.546 -11.082
  195    HA   PHE  76           HA       PHE  76   2.668   9.795 -13.985
  196   1HB   PHE  76          1HB       PHE  76   3.910   7.579 -12.363
  197   2HB   PHE  76          2HB       PHE  76   3.012   7.204 -13.835
  198    HD1  PHE  76           HD1      PHE  76   5.852   9.204 -12.488
  199    HD2  PHE  76           HD2      PHE  76   3.955   7.580 -15.982
  200    HE1  PHE  76           HE1      PHE  76   7.822   9.841 -13.854
  201    HE2  PHE  76           HE2      PHE  76   5.924   8.217 -17.348
  202    HZ   PHE  76           HZ       PHE  76   7.858   9.347 -16.284
  203    H    GLU  77           H        GLU  77   0.657   8.795 -14.570
  204    HA   GLU  77           HA       GLU  77  -1.026   7.636 -12.414
  205   1HB   GLU  77          1HB       GLU  77  -1.061  10.316 -12.853
  206   2HB   GLU  77          2HB       GLU  77  -2.274   9.800 -14.025
  207   1HG   GLU  77          1HG       GLU  77  -3.655   9.961 -12.200
  208   2HG   GLU  77          2HG       GLU  77  -3.063   8.325 -11.910
  209    H    GLY  78           H        GLY  78  -3.298   7.128 -13.494
  210   1HA   GLY  78          1HA       GLY  78  -4.426   6.628 -15.659
  211   2HA   GLY  78          2HA       GLY  78  -2.840   6.196 -16.300
  212    H    ARG  79           H        ARG  79  -5.037   4.413 -16.377
  213    HA   ARG  79           HA       ARG  79  -5.167   2.542 -14.223
  214   1HB   ARG  79          1HB       ARG  79  -6.422   2.929 -16.598
  215   2HB   ARG  79          2HB       ARG  79  -5.390   1.563 -17.022
  216   1HG   ARG  79          1HG       ARG  79  -6.243   0.459 -14.863
  217   2HG   ARG  79          2HG       ARG  79  -7.485   1.713 -14.850
  218   1HD   ARG  79          1HD       ARG  79  -7.672   0.878 -17.440
  219   2HD   ARG  79          2HD       ARG  79  -7.211  -0.636 -16.637
  220    HE   ARG  79           HE       ARG  79  -9.100   0.261 -14.926
  221   1HH1  ARG  79          1HH1      ARG  79  -9.078  -0.243 -18.373
  222   2HH1  ARG  79          2HH1      ARG  79 -10.804  -0.230 -18.494
  223   1HH2  ARG  79          1HH2      ARG  79 -11.336   0.411 -15.136
  224   2HH2  ARG  79          2HH2      ARG  79 -12.071   0.134 -16.680
  225    H    ASN  80           H        ASN  80  -3.006   2.734 -17.041
  226    HA   ASN  80           HA       ASN  80  -1.352   0.531 -15.844
  227   1HB   ASN  80          1HB       ASN  80  -2.103   1.302 -18.661
  228   2HB   ASN  80          2HB       ASN  80  -0.650   0.347 -18.356
  229   1HD2  ASN  80          2HD2      ASN  80  -1.384  -1.399 -16.363
  230   2HD2  ASN  80          1HD2      ASN  80  -2.704  -2.351 -16.845
  231    H    CYS  81           H        CYS  81  -1.124   3.383 -15.212
  232    HA   CYS  81           HA       CYS  81   0.516   5.073 -15.054
  233   1HB   CYS  81          1HB       CYS  81   2.077   2.556 -15.674
  234   2HB   CYS  81          2HB       CYS  81   2.877   4.084 -15.303
  235    H    GLU  82           H        GLU  82  -0.813   5.263 -17.452
  236    HA   GLU  82           HA       GLU  82   1.361   5.715 -19.472
  237   1HB   GLU  82          1HB       GLU  82  -0.468   5.377 -21.131
  238   2HB   GLU  82          2HB       GLU  82  -0.268   3.977 -20.080
  239   1HG   GLU  82          1HG       GLU  82  -2.181   4.573 -18.766
  240   2HG   GLU  82          2HG       GLU  82  -2.277   6.169 -19.513
  241    H    THR  83           H        THR  83   0.296   7.551 -17.292
  242    HA   THR  83           HA       THR  83  -0.365   9.853 -19.083
  243    HB   THR  83           HB       THR  83  -1.745   9.123 -16.479
  244    HG1  THR  83           HG1      THR  83  -2.582   8.970 -19.183
  245   1HG2  THR  83          1HG2      THR  83  -1.455  11.607 -17.369
  246   2HG2  THR  83          2HG2      THR  83  -2.772  11.131 -18.442
  247   3HG2  THR  83          3HG2      THR  83  -2.989  11.061 -16.693
  248    H    HIS  84           H        HIS  84   1.739  10.731 -18.756
  249    HA   HIS  84           HA       HIS  84   3.112  10.933 -16.258
  250   1HB   HIS  84          1HB       HIS  84   3.710  11.407 -18.826
  251   2HB   HIS  84          2HB       HIS  84   3.359  13.067 -18.340
  252    HD1  HIS  84           HD1      HIS  84   6.119  10.864 -18.558
  253    HD2  HIS  84           HD2      HIS  84   4.842  13.562 -15.650
  254    HE1  HIS  84           HE1      HIS  84   8.137  11.367 -17.114
  255    H    LYS  85           H        LYS  85   2.315  11.975 -14.480
  256    HA   LYS  85           HA       LYS  85   0.208  13.905 -14.471
  257   1HB   LYS  85          1HB       LYS  85   2.419  13.189 -12.525
  258   2HB   LYS  85          2HB       LYS  85   1.113  14.302 -12.116
  259   1HG   LYS  85          1HG       LYS  85   0.322  11.693 -13.311
  260   2HG   LYS  85          2HG       LYS  85   0.937  11.657 -11.658
  261   1HD   LYS  85          1HD       LYS  85  -1.231  13.565 -12.559
  262   2HD   LYS  85          2HD       LYS  85  -1.577  11.979 -11.869
  263   1HE   LYS  85          1HE       LYS  85  -0.983  12.629  -9.750
  264   2HE   LYS  85          2HE       LYS  85   0.334  13.667 -10.333
  265   1HZ   LYS  85          1HZ       LYS  85  -2.551  14.264 -10.719
  266   2HZ   LYS  85          2HZ       LYS  85  -1.607  14.928  -9.473
  267   3HZ   LYS  85          3HZ       LYS  85  -1.239  15.277 -11.090
  268    H    ASP  86           H        ASP  86   3.567  14.605 -13.458
  269    HA   ASP  86           HA       ASP  86   4.855  16.574 -13.664
  270   1HB   ASP  86          1HB       ASP  86   4.571  15.637 -16.038
  271   2HB   ASP  86          2HB       ASP  86   3.346  16.885 -16.268
  272    H    ASP  87           H        ASP  87   2.661  17.018 -12.057
  273    HA   ASP  87           HA       ASP  87   1.292  18.718 -11.184
  274   1HB   ASP  87          1HB       ASP  87   3.411  20.071 -12.813
  275   2HB   ASP  87          2HB       ASP  87   2.097  21.059 -12.176
  276    H    GLY  88           H        GLY  88   1.671  20.412 -14.289
  277   1HA   GLY  88          1HA       GLY  88   0.123  20.806 -16.014
  278   2HA   GLY  88          2HA       GLY  88  -0.793  19.413 -15.438
  279    H    SER  89           H        SER  89  -2.723  20.762 -15.820
  280    HA   SER  89           HA       SER  89  -3.123  22.971 -13.849
  281   1HB   SER  89          1HB       SER  89  -3.639  23.606 -16.079
  282   2HB   SER  89          2HB       SER  89  -4.433  22.072 -16.418
  283    HG   SER  89           HG       SER  89  -6.102  23.367 -16.006
  284    H    ALA  90           H        ALA  90  -4.642  19.956 -15.021
  285    HA   ALA  90           HA       ALA  90  -6.238  18.531 -14.018
  286   1HB   ALA  90          1HB       ALA  90  -4.214  18.561 -12.446
  287   2HB   ALA  90          2HB       ALA  90  -5.132  19.687 -11.448
  288   3HB   ALA  90          3HB       ALA  90  -5.741  18.056 -11.725
  289    H1   FUC  91           H1       FUC  91   8.887  -1.465  -8.552
  290    H2   FUC  91           H2       FUC  91  10.961  -0.131  -8.745
  291    H3   FUC  91           H3       FUC  91   9.803   0.693 -11.453
  292    H4   FUC  91           H4       FUC  91   9.802   2.953 -10.462
  293    H5   FUC  91           H5       FUC  91   7.792   1.519 -10.318
  294   1H6   FUC  91          1H6       FUC  91   6.748   2.448  -8.195
  295   2H6   FUC  91          2H6       FUC  91   7.480   3.681  -9.266
  296   3H6   FUC  91          3H6       FUC  91   8.344   3.149  -7.793
  297    HO2  FUC  91           HO2      FUC  91  11.102  -2.165  -9.697
  298    HO3  FUC  91           HO3      FUC  91  11.756   1.901 -11.572
  299    HO4  FUC  91           HO4      FUC  91  10.439   1.657  -7.990
  Start of MODEL   16
    1   1H    SER  45          1H        SER  45  -7.963 -17.111  -8.135
    2   2H    SER  45          2H        SER  45  -7.801 -18.575  -7.287
    3   3H    SER  45          3H        SER  45  -7.246 -17.129  -6.595
    4    HA   SER  45           HA       SER  45  -5.335 -18.292  -7.396
    5   1HB   SER  45          1HB       SER  45  -5.348 -19.047  -9.772
    6   2HB   SER  45          2HB       SER  45  -6.644 -19.789  -8.836
    7    HG   SER  45           HG       SER  45  -8.097 -18.556  -9.844
    8    H    ASP  46           H        ASP  46  -3.993 -16.531  -7.339
    9    HA   ASP  46           HA       ASP  46  -4.588 -14.011  -8.647
   10   1HB   ASP  46          1HB       ASP  46  -2.311 -13.440  -7.806
   11   2HB   ASP  46          2HB       ASP  46  -3.299 -14.206  -6.562
   12    H    GLY  47           H        GLY  47  -2.413 -16.735  -9.380
   13   1HA   GLY  47          1HA       GLY  47  -1.315 -17.323 -11.368
   14   2HA   GLY  47          2HA       GLY  47  -2.502 -16.322 -12.205
   15    H    ASP  48           H        ASP  48  -0.367 -15.954 -13.490
   16    HA   ASP  48           HA       ASP  48   1.312 -13.826 -12.229
   17   1HB   ASP  48          1HB       ASP  48   1.617 -15.654 -14.629
   18   2HB   ASP  48          2HB       ASP  48   2.769 -14.375 -14.243
   19    H    GLN  49           H        GLN  49   0.872 -11.744 -12.810
   20    HA   GLN  49           HA       GLN  49  -0.622 -11.254 -15.366
   21   1HB   GLN  49          1HB       GLN  49  -0.494  -9.789 -12.713
   22   2HB   GLN  49          2HB       GLN  49  -1.344  -9.170 -14.129
   23   1HG   GLN  49          1HG       GLN  49  -1.905 -11.934 -13.060
   24   2HG   GLN  49          2HG       GLN  49  -2.724 -10.516 -12.404
   25   1HE2  GLN  49          2HE2      GLN  49  -4.795 -11.282 -13.318
   26   2HE2  GLN  49          1HE2      GLN  49  -5.104 -11.149 -14.982
   27    H    CYS  50           H        CYS  50   2.194 -10.390 -13.439
   28    HA   CYS  50           HA       CYS  50   2.985  -8.014 -14.847
   29   1HB   CYS  50          1HB       CYS  50   4.303 -10.105 -13.134
   30   2HB   CYS  50          2HB       CYS  50   5.297  -8.880 -13.922
   31    H    ALA  51           H        ALA  51   3.345 -11.438 -15.558
   32    HA   ALA  51           HA       ALA  51   5.468 -11.376 -17.448
   33   1HB   ALA  51          1HB       ALA  51   2.999 -13.064 -17.042
   34   2HB   ALA  51          2HB       ALA  51   4.116 -13.406 -18.362
   35   3HB   ALA  51          3HB       ALA  51   4.679 -13.473 -16.691
   36    H    SER  52           H        SER  52   2.156 -10.271 -17.724
   37    HA   SER  52           HA       SER  52   2.241 -10.144 -20.676
   38   1HB   SER  52          1HB       SER  52   0.277  -9.713 -18.462
   39   2HB   SER  52          2HB       SER  52  -0.042  -8.930 -20.007
   40    HG   SER  52           HG       SER  52  -0.932 -11.045 -19.886
   41    H    SER  53           H        SER  53   2.973  -8.082 -17.965
   42    HA   SER  53           HA       SER  53   3.604  -5.814 -17.832
   43   1HB   SER  53          1HB       SER  53   4.149  -6.339 -20.772
   44   2HB   SER  53          2HB       SER  53   4.853  -5.041 -19.813
   45    HG   SER  53           HG       SER  53   6.013  -6.495 -18.682
   46    HA   PRO  54           HA       PRO  54  -0.387  -4.612 -20.049
   47   1HB   PRO  54          1HB       PRO  54  -1.978  -4.287 -17.846
   48   2HB   PRO  54          2HB       PRO  54  -1.839  -5.829 -18.714
   49   1HG   PRO  54          1HG       PRO  54  -0.543  -4.961 -16.182
   50   2HG   PRO  54          2HG       PRO  54  -1.202  -6.542 -16.630
   51   1HD   PRO  54          1HD       PRO  54   1.463  -5.955 -16.649
   52   2HD   PRO  54          2HD       PRO  54   0.717  -7.183 -17.696
   53    H    CYS  55           H        CYS  55   1.313  -3.484 -17.182
   54    HA   CYS  55           HA       CYS  55   0.255  -0.745 -17.370
   55   1HB   CYS  55          1HB       CYS  55   2.399  -2.093 -15.699
   56   2HB   CYS  55          2HB       CYS  55   1.851  -0.434 -15.456
   57    H    GLN  56           H        GLN  56   1.975   1.077 -17.410
   58    HA   GLN  56           HA       GLN  56   4.166   0.418 -19.352
   59   1HB   GLN  56          1HB       GLN  56   1.791   1.751 -19.881
   60   2HB   GLN  56          2HB       GLN  56   2.921   3.073 -19.596
   61   1HG   GLN  56          1HG       GLN  56   3.539   2.782 -21.756
   62   2HG   GLN  56          2HG       GLN  56   4.408   1.362 -21.178
   63   1HE2  GLN  56          2HE2      GLN  56   2.083  -0.282 -20.579
   64   2HE2  GLN  56          1HE2      GLN  56   1.344  -0.678 -22.055
   65    H    ASN  57           H        ASN  57   5.281   2.925 -19.564
   66    HA   ASN  57           HA       ASN  57   6.845   4.328 -18.494
   67   1HB   ASN  57          1HB       ASN  57   4.482   4.217 -16.615
   68   2HB   ASN  57          2HB       ASN  57   5.863   5.268 -16.302
   69   1HD2  ASN  57          2HD2      ASN  57   3.043   6.041 -17.058
   70   2HD2  ASN  57          1HD2      ASN  57   3.199   6.969 -18.469
   71    H    GLY  58           H        GLY  58   6.878   1.314 -17.896
   72   1HA   GLY  58          1HA       GLY  58   8.151  -0.135 -16.565
   73   2HA   GLY  58          2HA       GLY  58   9.092   1.285 -16.111
   74    H    GLY  59           H        GLY  59   5.632   0.959 -15.521
   75   1HA   GLY  59          1HA       GLY  59   5.853   1.697 -12.767
   76   2HA   GLY  59          2HA       GLY  59   4.423   0.976 -13.508
   77    H    SER  60           H        SER  60   5.447   0.336 -10.874
   78    HA   SER  60           HA       SER  60   6.733  -2.320 -11.129
   79   1HB   SER  60          1HB       SER  60   5.941  -0.433  -8.919
   80   2HB   SER  60          2HB       SER  60   6.387  -2.095  -8.542
   81    H    CYS  61           H        CYS  61   5.232  -3.824 -11.895
   82    HA   CYS  61           HA       CYS  61   2.463  -3.817 -10.891
   83   1HB   CYS  61          1HB       CYS  61   2.179  -5.513 -12.629
   84   2HB   CYS  61          2HB       CYS  61   3.118  -4.169 -13.271
   85    H    LYS  62           H        LYS  62   1.625  -5.314  -9.451
   86    HA   LYS  62           HA       LYS  62   3.499  -7.403  -8.386
   87   1HB   LYS  62          1HB       LYS  62   2.520  -5.123  -7.118
   88   2HB   LYS  62          2HB       LYS  62   1.436  -6.393  -6.553
   89   1HG   LYS  62          1HG       LYS  62   3.105  -7.514  -5.434
   90   2HG   LYS  62          2HG       LYS  62   4.351  -7.016  -6.578
   91   1HD   LYS  62          1HD       LYS  62   3.022  -5.112  -4.633
   92   2HD   LYS  62          2HD       LYS  62   4.538  -5.945  -4.292
   93   1HE   LYS  62          1HE       LYS  62   4.427  -4.553  -6.914
   94   2HE   LYS  62          2HE       LYS  62   4.447  -3.505  -5.482
   95   1HZ   LYS  62          1HZ       LYS  62   6.301  -5.778  -5.961
   96   2HZ   LYS  62          2HZ       LYS  62   6.698  -4.141  -6.175
   97   3HZ   LYS  62          3HZ       LYS  62   6.330  -4.727  -4.627
   98    H    ASP  63           H        ASP  63   2.649  -9.448  -8.433
   99    HA   ASP  63           HA       ASP  63   0.087  -9.993  -9.638
  100   1HB   ASP  63          1HB       ASP  63   0.680 -12.338  -9.019
  101   2HB   ASP  63          2HB       ASP  63   2.023 -11.494  -9.785
  102    H    GLN  64           H        GLN  64  -1.794  -9.508  -8.582
  103    HA   GLN  64           HA       GLN  64  -1.980 -10.110  -5.648
  104   1HB   GLN  64          1HB       GLN  64  -3.168  -8.027  -7.476
  105   2HB   GLN  64          2HB       GLN  64  -3.946  -8.410  -5.940
  106   1HG   GLN  64          1HG       GLN  64  -1.442  -8.141  -5.041
  107   2HG   GLN  64          2HG       GLN  64  -1.317  -7.096  -6.457
  108   1HE2  GLN  64          2HE2      GLN  64  -3.996  -6.060  -6.481
  109   2HE2  GLN  64          1HE2      GLN  64  -4.205  -5.097  -5.100
  110    H    LEU  65           H        LEU  65  -4.652 -10.213  -5.283
  111    HA   LEU  65           HA       LEU  65  -5.448 -12.787  -6.227
  112   1HB   LEU  65          1HB       LEU  65  -6.596 -10.489  -4.749
  113   2HB   LEU  65          2HB       LEU  65  -7.781 -11.551  -5.510
  114    HG   LEU  65           HG       LEU  65  -5.560 -12.892  -4.059
  115   1HD1  LEU  65          1HD1      LEU  65  -7.518 -11.040  -2.777
  116   2HD1  LEU  65          2HD1      LEU  65  -7.195 -12.573  -1.967
  117   3HD1  LEU  65          3HD1      LEU  65  -5.873 -11.449  -2.288
  118   1HD2  LEU  65          1HD2      LEU  65  -8.570 -13.277  -4.161
  119   2HD2  LEU  65          2HD2      LEU  65  -7.394 -14.133  -5.157
  120   3HD2  LEU  65          3HD2      LEU  65  -7.421 -14.385  -3.412
  121    H    GLN  66           H        GLN  66  -6.416 -13.407  -8.110
  122    HA   GLN  66           HA       GLN  66  -7.367 -13.292 -10.257
  123   1HB   GLN  66          1HB       GLN  66  -8.710 -11.189  -8.604
  124   2HB   GLN  66          2HB       GLN  66  -9.045 -11.214 -10.335
  125   1HG   GLN  66          1HG       GLN  66 -10.667 -12.693  -9.613
  126   2HG   GLN  66          2HG       GLN  66  -9.337 -13.823  -9.874
  127   1HE2  GLN  66          2HE2      GLN  66 -11.320 -12.276  -7.418
  128   2HE2  GLN  66          1HE2      GLN  66 -10.675 -13.122  -6.095
  129    H    SER  67           H        SER  67  -7.399  -9.757  -9.871
  130    HA   SER  67           HA       SER  67  -5.810  -9.463 -12.328
  131   1HB   SER  67          1HB       SER  67  -7.854  -8.120 -11.638
  132   2HB   SER  67          2HB       SER  67  -6.856  -7.371 -10.395
  133    HG   SER  67           HG       SER  67  -6.532  -6.042 -12.044
  134    H    TYR  68           H        TYR  68  -4.492  -7.019 -11.605
  135    HA   TYR  68           HA       TYR  68  -2.485  -7.916  -9.569
  136   1HB   TYR  68          1HB       TYR  68  -0.735  -7.135 -11.172
  137   2HB   TYR  68          2HB       TYR  68  -1.693  -8.460 -11.828
  138    HD1  TYR  68           HD1      TYR  68  -1.273  -4.761 -11.859
  139    HD2  TYR  68           HD2      TYR  68  -3.018  -8.176 -13.793
  140    HE1  TYR  68           HE1      TYR  68  -1.914  -3.343 -13.789
  141    HE2  TYR  68           HE2      TYR  68  -3.654  -6.760 -15.723
  142    HH   TYR  68           HH       TYR  68  -4.111  -4.320 -16.138
  143    H    ILE  69           H        ILE  69  -0.788  -5.810  -9.612
  144    HA   ILE  69           HA       ILE  69  -2.391  -3.308  -9.419
  145    HB   ILE  69           HB       ILE  69  -2.517  -4.540  -7.268
  146   1HG1  ILE  69          1HG1      ILE  69  -0.664  -2.325  -6.583
  147   2HG1  ILE  69          2HG1      ILE  69  -2.028  -1.893  -7.616
  148   1HG2  ILE  69          1HG2      ILE  69  -0.109  -5.518  -7.725
  149   2HG2  ILE  69          2HG2      ILE  69   0.417  -4.084  -6.846
  150   3HG2  ILE  69          3HG2      ILE  69  -0.656  -5.249  -6.070
  151   1HD1  ILE  69          1HD1      ILE  69  -3.297  -3.445  -5.786
  152   2HD1  ILE  69          2HD1      ILE  69  -2.007  -2.778  -4.784
  153   3HD1  ILE  69          3HD1      ILE  69  -3.123  -1.697  -5.618
  154    H    CYS  70           H        CYS  70  -1.183  -1.611 -10.203
  155    HA   CYS  70           HA       CYS  70   1.777  -2.010 -10.469
  156   1HB   CYS  70          1HB       CYS  70  -0.355  -0.707 -12.143
  157   2HB   CYS  70          2HB       CYS  70   1.332  -0.231 -12.335
  158    H    PHE  71           H        PHE  71   3.073  -0.565  -9.440
  159    HA   PHE  71           HA       PHE  71   1.832   1.811  -8.132
  160   1HB   PHE  71          1HB       PHE  71   4.486   0.365  -7.813
  161   2HB   PHE  71          2HB       PHE  71   3.994   1.759  -6.853
  162    HD1  PHE  71           HD1      PHE  71   2.086   1.601  -5.283
  163    HD2  PHE  71           HD2      PHE  71   3.511  -1.819  -7.456
  164    HE1  PHE  71           HE1      PHE  71   0.832   0.107  -3.753
  165    HE2  PHE  71           HE2      PHE  71   2.256  -3.314  -5.925
  166    HZ   PHE  71           HZ       PHE  71   0.916  -2.351  -4.074
  167    H    CYS  72           H        CYS  72   1.852   3.489  -9.623
  168    HA   CYS  72           HA       CYS  72   3.882   3.814 -11.662
  169   1HB   CYS  72          1HB       CYS  72   1.904   5.819 -10.528
  170   2HB   CYS  72          2HB       CYS  72   2.687   5.905 -12.101
  171    H    LEU  73           H        LEU  73   4.644   6.408 -11.638
  172    HA   LEU  73           HA       LEU  73   6.460   6.560  -9.271
  173   1HB   LEU  73          1HB       LEU  73   6.498   7.302 -12.153
  174   2HB   LEU  73          2HB       LEU  73   7.405   8.351 -11.064
  175    HG   LEU  73           HG       LEU  73   8.187   5.921 -10.147
  176   1HD1  LEU  73          1HD1      LEU  73   6.768   5.047 -12.207
  177   2HD1  LEU  73          2HD1      LEU  73   8.225   5.469 -13.107
  178   3HD1  LEU  73          3HD1      LEU  73   8.308   4.292 -11.795
  179   1HD2  LEU  73          1HD2      LEU  73   9.602   7.863 -10.875
  180   2HD2  LEU  73          2HD2      LEU  73  10.258   6.301 -11.368
  181   3HD2  LEU  73          3HD2      LEU  73   9.420   7.316 -12.542
  182    HA   PRO  74           HA       PRO  74   4.610  10.263  -7.772
  183   1HB   PRO  74          1HB       PRO  74   6.706  11.996  -7.402
  184   2HB   PRO  74          2HB       PRO  74   6.391  10.609  -6.340
  185   1HG   PRO  74          1HG       PRO  74   8.331  10.862  -8.594
  186   2HG   PRO  74          2HG       PRO  74   8.548  10.120  -7.001
  187   1HD   PRO  74          1HD       PRO  74   8.092   8.650  -9.213
  188   2HD   PRO  74          2HD       PRO  74   7.481   8.167  -7.614
  189    H    ALA  75           H        ALA  75   6.620  10.500 -10.628
  190    HA   ALA  75           HA       ALA  75   5.346  13.094 -11.387
  191   1HB   ALA  75          1HB       ALA  75   7.941  12.276 -11.406
  192   2HB   ALA  75          2HB       ALA  75   7.462  11.835 -13.045
  193   3HB   ALA  75          3HB       ALA  75   7.308  13.505 -12.501
  194    H    PHE  76           H        PHE  76   4.138  10.244 -11.530
  195    HA   PHE  76           HA       PHE  76   3.402  10.373 -14.436
  196   1HB   PHE  76          1HB       PHE  76   4.298   8.082 -12.697
  197   2HB   PHE  76          2HB       PHE  76   3.283   7.781 -14.109
  198    HD1  PHE  76           HD1      PHE  76   6.538   9.125 -12.961
  199    HD2  PHE  76           HD2      PHE  76   4.137   8.025 -16.348
  200    HE1  PHE  76           HE1      PHE  76   8.531   9.289 -14.423
  201    HE2  PHE  76           HE2      PHE  76   6.130   8.193 -17.814
  202    HZ   PHE  76           HZ       PHE  76   8.326   8.827 -16.854
  203    H    GLU  77           H        GLU  77   1.307   9.098 -14.814
  204    HA   GLU  77           HA       GLU  77  -0.484   8.918 -12.453
  205   1HB   GLU  77          1HB       GLU  77  -0.283  11.265 -13.797
  206   2HB   GLU  77          2HB       GLU  77  -1.521  10.468 -14.768
  207   1HG   GLU  77          1HG       GLU  77  -2.479   9.890 -12.323
  208   2HG   GLU  77          2HG       GLU  77  -1.637  11.392 -11.940
  209    H    GLY  78           H        GLY  78  -2.746   8.159 -13.294
  210   1HA   GLY  78          1HA       GLY  78  -3.989   6.988 -15.064
  211   2HA   GLY  78          2HA       GLY  78  -2.445   6.426 -15.707
  212    H    ARG  79           H        ARG  79  -4.747   4.794 -14.904
  213    HA   ARG  79           HA       ARG  79  -4.233   3.523 -12.352
  214   1HB   ARG  79          1HB       ARG  79  -6.282   3.590 -14.090
  215   2HB   ARG  79          2HB       ARG  79  -5.544   2.075 -14.612
  216   1HG   ARG  79          1HG       ARG  79  -7.057   1.404 -12.929
  217   2HG   ARG  79          2HG       ARG  79  -5.506   1.466 -12.093
  218   1HD   ARG  79          1HD       ARG  79  -6.878   2.669 -10.616
  219   2HD   ARG  79          2HD       ARG  79  -6.225   3.980 -11.620
  220    HE   ARG  79           HE       ARG  79  -8.383   3.310 -13.083
  221   1HH1  ARG  79          1HH1      ARG  79  -7.988   4.070  -9.706
  222   2HH1  ARG  79          2HH1      ARG  79  -9.674   4.376  -9.468
  223   1HH2  ARG  79          1HH2      ARG  79 -10.588   3.581 -12.708
  224   2HH2  ARG  79          2HH2      ARG  79 -11.131   4.105 -11.149
  225    H    ASN  80           H        ASN  80  -3.196   2.895 -15.685
  226    HA   ASN  80           HA       ASN  80  -1.593   0.547 -14.756
  227   1HB   ASN  80          1HB       ASN  80  -2.713   1.532 -17.375
  228   2HB   ASN  80          2HB       ASN  80  -1.420   0.334 -17.356
  229   1HD2  ASN  80          2HD2      ASN  80  -1.910  -1.804 -16.505
  230   2HD2  ASN  80          1HD2      ASN  80  -3.505  -2.299 -16.204
  231    H    CYS  81           H        CYS  81  -0.909   3.524 -14.440
  232    HA   CYS  81           HA       CYS  81   0.987   4.913 -14.664
  233   1HB   CYS  81          1HB       CYS  81   2.280   2.224 -15.234
  234   2HB   CYS  81          2HB       CYS  81   3.104   3.669 -14.659
  235    H    GLU  82           H        GLU  82  -0.432   5.203 -16.906
  236    HA   GLU  82           HA       GLU  82   1.598   5.025 -19.107
  237   1HB   GLU  82          1HB       GLU  82  -0.312   4.496 -20.618
  238   2HB   GLU  82          2HB       GLU  82  -0.113   3.280 -19.357
  239   1HG   GLU  82          1HG       GLU  82  -1.923   4.242 -18.060
  240   2HG   GLU  82          2HG       GLU  82  -2.048   5.608 -19.169
  241    H    THR  83           H        THR  83   0.570   7.241 -17.204
  242    HA   THR  83           HA       THR  83  -0.078   9.215 -19.365
  243    HB   THR  83           HB       THR  83  -1.238   9.156 -16.566
  244    HG1  THR  83           HG1      THR  83  -2.542   7.710 -17.299
  245   1HG2  THR  83          1HG2      THR  83  -1.526  10.881 -18.978
  246   2HG2  THR  83          2HG2      THR  83  -2.979  10.563 -18.031
  247   3HG2  THR  83          3HG2      THR  83  -1.579  11.318 -17.270
  248    H    HIS  84           H        HIS  84   2.031  10.098 -19.386
  249    HA   HIS  84           HA       HIS  84   3.663  10.661 -17.111
  250   1HB   HIS  84          1HB       HIS  84   3.923  10.755 -19.806
  251   2HB   HIS  84          2HB       HIS  84   3.741  12.476 -19.471
  252    HD1  HIS  84           HD1      HIS  84   6.166   9.724 -19.308
  253    HD2  HIS  84           HD2      HIS  84   5.741  13.475 -17.538
  254    HE1  HIS  84           HE1      HIS  84   8.423  10.310 -18.323
  255    H    LYS  85           H        LYS  85   3.258  12.101 -15.487
  256    HA   LYS  85           HA       LYS  85   1.090  13.957 -15.442
  257   1HB   LYS  85          1HB       LYS  85   3.654  13.611 -13.880
  258   2HB   LYS  85          2HB       LYS  85   2.502  14.884 -13.478
  259   1HG   LYS  85          1HG       LYS  85   1.554  12.048 -13.802
  260   2HG   LYS  85          2HG       LYS  85   2.287  12.567 -12.285
  261   1HD   LYS  85          1HD       LYS  85   0.066  14.156 -13.564
  262   2HD   LYS  85          2HD       LYS  85  -0.281  12.790 -12.504
  263   1HE   LYS  85          1HE       LYS  85   1.458  14.022 -10.903
  264   2HE   LYS  85          2HE       LYS  85   0.933  15.444 -11.828
  265   1HZ   LYS  85          1HZ       LYS  85  -0.947  13.464 -10.664
  266   2HZ   LYS  85          2HZ       LYS  85  -0.499  14.897  -9.868
  267   3HZ   LYS  85          3HZ       LYS  85  -1.327  14.972 -11.347
  268    H    ASP  86           H        ASP  86   4.508  14.969 -15.226
  269    HA   ASP  86           HA       ASP  86   5.601  16.884 -16.074
  270   1HB   ASP  86          1HB       ASP  86   5.073  15.417 -18.097
  271   2HB   ASP  86          2HB       ASP  86   3.694  16.477 -18.393
  272    H    ASP  87           H        ASP  87   3.997  17.849 -14.253
  273    HA   ASP  87           HA       ASP  87   1.744  19.436 -15.000
  274   1HB   ASP  87          1HB       ASP  87   3.814  19.724 -12.797
  275   2HB   ASP  87          2HB       ASP  87   2.283  20.600 -12.837
  276    H    GLY  88           H        GLY  88   1.718  21.185 -16.340
  277   1HA   GLY  88          1HA       GLY  88   3.682  23.321 -16.094
  278   2HA   GLY  88          2HA       GLY  88   3.846  22.422 -17.604
  279    H    SER  89           H        SER  89   1.953  22.340 -19.034
  280    HA   SER  89           HA       SER  89  -0.361  24.044 -18.528
  281   1HB   SER  89          1HB       SER  89   0.330  25.663 -20.376
  282   2HB   SER  89          2HB       SER  89   1.255  25.789 -18.883
  283    HG   SER  89           HG       SER  89   2.931  24.749 -19.829
  284    H    ALA  90           H        ALA  90   1.497  23.400 -21.512
  285    HA   ALA  90           HA       ALA  90  -0.915  22.132 -22.705
  286   1HB   ALA  90          1HB       ALA  90   0.409  23.989 -23.795
  287   2HB   ALA  90          2HB       ALA  90   1.761  22.864 -23.932
  288   3HB   ALA  90          3HB       ALA  90   0.254  22.542 -24.791
  289    H1   FUC  91           H1       FUC  91   8.393  -1.272  -7.423
  290    H2   FUC  91           H2       FUC  91  10.473   0.063  -7.554
  291    H3   FUC  91           H3       FUC  91   9.555   0.626 -10.416
  292    H4   FUC  91           H4       FUC  91   9.460   2.966  -9.638
  293    H5   FUC  91           H5       FUC  91   7.448   1.530  -9.540
  294   1H6   FUC  91          1H6       FUC  91   7.235   2.898  -6.882
  295   2H6   FUC  91          2H6       FUC  91   6.146   2.962  -8.300
  296   3H6   FUC  91          3H6       FUC  91   7.650   3.933  -8.282
  297    HO2  FUC  91           HO2      FUC  91  10.794  -2.006  -8.287
  298    HO3  FUC  91           HO3      FUC  91  11.924   1.326  -8.961
  299    HO4  FUC  91           HO4      FUC  91  10.990   2.779  -7.913
  Start of MODEL   17
    1   1H    SER  45          1H        SER  45  -2.243 -19.178  -6.926
    2   2H    SER  45          2H        SER  45  -3.204 -20.442  -7.529
    3   3H    SER  45          3H        SER  45  -1.530 -20.658  -7.358
    4    HA   SER  45           HA       SER  45  -1.058 -19.121  -9.109
    5   1HB   SER  45          1HB       SER  45  -2.491 -20.340 -10.896
    6   2HB   SER  45          2HB       SER  45  -1.466 -21.330  -9.860
    7    HG   SER  45           HG       SER  45  -3.186 -22.140  -8.938
    8    H    ASP  46           H        ASP  46  -4.579 -19.402  -8.556
    9    HA   ASP  46           HA       ASP  46  -6.339 -17.896  -8.955
   10   1HB   ASP  46          1HB       ASP  46  -3.988 -16.034  -8.500
   11   2HB   ASP  46          2HB       ASP  46  -5.665 -15.494  -8.551
   12    H    GLY  47           H        GLY  47  -3.970 -15.723 -10.471
   13   1HA   GLY  47          1HA       GLY  47  -4.617 -16.601 -13.181
   14   2HA   GLY  47          2HA       GLY  47  -5.379 -15.073 -12.740
   15    H    ASP  48           H        ASP  48  -3.403 -15.325 -14.789
   16    HA   ASP  48           HA       ASP  48  -1.019 -13.989 -13.559
   17   1HB   ASP  48          1HB       ASP  48   0.101 -14.718 -15.669
   18   2HB   ASP  48          2HB       ASP  48  -0.585 -16.074 -14.776
   19    H    GLN  49           H        GLN  49  -1.325 -11.793 -13.665
   20    HA   GLN  49           HA       GLN  49  -2.299 -10.634 -16.259
   21   1HB   GLN  49          1HB       GLN  49  -2.746  -9.734 -13.394
   22   2HB   GLN  49          2HB       GLN  49  -3.304  -8.859 -14.819
   23   1HG   GLN  49          1HG       GLN  49  -4.039 -11.736 -14.663
   24   2HG   GLN  49          2HG       GLN  49  -4.845 -10.658 -13.525
   25   1HE2  GLN  49          2HE2      GLN  49  -6.082 -12.004 -15.871
   26   2HE2  GLN  49          1HE2      GLN  49  -6.664 -10.764 -16.873
   27    H    CYS  50           H        CYS  50  -0.293 -10.108 -13.361
   28    HA   CYS  50           HA       CYS  50   1.006  -7.706 -14.276
   29   1HB   CYS  50          1HB       CYS  50   0.868  -8.557 -11.930
   30   2HB   CYS  50          2HB       CYS  50   1.970  -9.861 -12.368
   31    H    ALA  51           H        ALA  51   1.481 -11.073 -15.073
   32    HA   ALA  51           HA       ALA  51   4.228 -10.666 -16.080
   33   1HB   ALA  51          1HB       ALA  51   2.281 -12.995 -16.112
   34   2HB   ALA  51          2HB       ALA  51   3.962 -13.091 -16.636
   35   3HB   ALA  51          3HB       ALA  51   3.583 -12.739 -14.949
   36    H    SER  52           H        SER  52   2.535  -8.924 -17.429
   37    HA   SER  52           HA       SER  52   2.639 -10.016 -20.187
   38   1HB   SER  52          1HB       SER  52   0.170  -8.984 -18.768
   39   2HB   SER  52          2HB       SER  52   0.261  -9.192 -20.513
   40    HG   SER  52           HG       SER  52   0.099 -11.276 -20.255
   41    H    SER  53           H        SER  53   3.850  -7.766 -18.398
   42    HA   SER  53           HA       SER  53   4.465  -5.502 -18.626
   43   1HB   SER  53          1HB       SER  53   5.264  -5.070 -20.800
   44   2HB   SER  53          2HB       SER  53   5.227  -6.828 -20.730
   45    HG   SER  53           HG       SER  53   3.523  -5.031 -22.057
   46    HA   PRO  54           HA       PRO  54   0.012  -4.224 -19.617
   47   1HB   PRO  54          1HB       PRO  54  -0.973  -3.948 -17.081
   48   2HB   PRO  54          2HB       PRO  54  -1.092  -5.463 -17.999
   49   1HG   PRO  54          1HG       PRO  54   0.791  -4.709 -15.828
   50   2HG   PRO  54          2HG       PRO  54   0.031  -6.269 -16.175
   51   1HD   PRO  54          1HD       PRO  54   2.626  -5.645 -16.807
   52   2HD   PRO  54          2HD       PRO  54   1.659  -6.878 -17.647
   53    H    CYS  55           H        CYS  55   1.859  -3.230 -16.711
   54    HA   CYS  55           HA       CYS  55   1.125  -0.411 -17.061
   55   1HB   CYS  55          1HB       CYS  55   2.981  -1.925 -15.202
   56   2HB   CYS  55          2HB       CYS  55   2.632  -0.201 -15.051
   57    H    GLN  56           H        GLN  56   2.846   1.282 -17.274
   58    HA   GLN  56           HA       GLN  56   5.292   0.333 -18.726
   59   1HB   GLN  56          1HB       GLN  56   3.433   2.572 -19.598
   60   2HB   GLN  56          2HB       GLN  56   4.843   1.985 -20.476
   61   1HG   GLN  56          1HG       GLN  56   3.560  -0.340 -20.289
   62   2HG   GLN  56          2HG       GLN  56   2.156   0.715 -20.134
   63   1HE2  GLN  56          2HE2      GLN  56   1.602  -0.315 -22.331
   64   2HE2  GLN  56          1HE2      GLN  56   2.253   0.410 -23.723
   65    H    ASN  57           H        ASN  57   6.257   2.875 -19.388
   66    HA   ASN  57           HA       ASN  57   7.564   4.611 -18.476
   67   1HB   ASN  57          1HB       ASN  57   5.012   4.627 -16.858
   68   2HB   ASN  57          2HB       ASN  57   6.259   5.853 -16.632
   69   1HD2  ASN  57          2HD2      ASN  57   3.534   5.031 -18.523
   70   2HD2  ASN  57          1HD2      ASN  57   3.764   6.157 -19.772
   71    H    GLY  58           H        GLY  58   8.395   2.087 -17.577
   72   1HA   GLY  58          1HA       GLY  58   9.694   1.089 -15.899
   73   2HA   GLY  58          2HA       GLY  58   9.940   2.720 -15.280
   74    H    GLY  59           H        GLY  59   6.722   1.371 -15.572
   75   1HA   GLY  59          1HA       GLY  59   6.158   1.848 -12.780
   76   2HA   GLY  59          2HA       GLY  59   5.089   1.023 -13.916
   77    H    SER  60           H        SER  60   6.230   0.425 -11.068
   78    HA   SER  60           HA       SER  60   7.550  -2.185 -11.517
   79   1HB   SER  60          1HB       SER  60   6.682  -0.693  -9.020
   80   2HB   SER  60          2HB       SER  60   7.708  -2.124  -9.044
   81    H    CYS  61           H        CYS  61   6.044  -3.687 -12.247
   82    HA   CYS  61           HA       CYS  61   3.326  -3.787 -11.089
   83   1HB   CYS  61          1HB       CYS  61   3.785  -4.054 -13.512
   84   2HB   CYS  61          2HB       CYS  61   4.767  -5.476 -13.163
   85    H    LYS  62           H        LYS  62   2.528  -5.610  -9.934
   86    HA   LYS  62           HA       LYS  62   4.512  -7.653  -9.038
   87   1HB   LYS  62          1HB       LYS  62   3.596  -5.406  -7.554
   88   2HB   LYS  62          2HB       LYS  62   2.785  -6.813  -6.868
   89   1HG   LYS  62          1HG       LYS  62   5.295  -7.807  -7.140
   90   2HG   LYS  62          2HG       LYS  62   5.667  -6.105  -6.871
   91   1HD   LYS  62          1HD       LYS  62   4.112  -6.191  -4.866
   92   2HD   LYS  62          2HD       LYS  62   4.061  -7.942  -5.078
   93   1HE   LYS  62          1HE       LYS  62   6.778  -6.730  -5.052
   94   2HE   LYS  62          2HE       LYS  62   5.905  -6.734  -3.507
   95   1HZ   LYS  62          1HZ       LYS  62   6.180  -9.091  -5.297
   96   2HZ   LYS  62          2HZ       LYS  62   7.123  -8.825  -3.908
   97   3HZ   LYS  62          3HZ       LYS  62   5.450  -9.064  -3.762
   98    H    ASP  63           H        ASP  63   3.578  -9.685  -8.830
   99    HA   ASP  63           HA       ASP  63   0.818 -10.036  -9.764
  100   1HB   ASP  63          1HB       ASP  63   1.448 -12.436  -9.605
  101   2HB   ASP  63          2HB       ASP  63   2.673 -11.502 -10.464
  102    H    GLN  64           H        GLN  64  -0.887  -9.942  -8.380
  103    HA   GLN  64           HA       GLN  64  -0.496 -10.874  -5.552
  104   1HB   GLN  64          1HB       GLN  64  -2.085  -8.548  -6.682
  105   2HB   GLN  64          2HB       GLN  64  -2.152  -9.061  -4.997
  106   1HG   GLN  64          1HG       GLN  64   0.504  -8.867  -5.226
  107   2HG   GLN  64          2HG       GLN  64   0.057  -7.708  -6.479
  108   1HE2  GLN  64          2HE2      GLN  64  -2.080  -6.348  -5.529
  109   2HE2  GLN  64          1HE2      GLN  64  -1.763  -5.639  -4.019
  110    H    LEU  65           H        LEU  65  -3.132 -10.779  -4.739
  111    HA   LEU  65           HA       LEU  65  -4.280 -13.122  -6.042
  112   1HB   LEU  65          1HB       LEU  65  -4.755 -11.377  -3.689
  113   2HB   LEU  65          2HB       LEU  65  -6.181 -12.197  -4.324
  114    HG   LEU  65           HG       LEU  65  -4.553 -14.290  -4.359
  115   1HD1  LEU  65          1HD1      LEU  65  -3.308 -12.347  -2.416
  116   2HD1  LEU  65          2HD1      LEU  65  -3.140 -14.088  -2.194
  117   3HD1  LEU  65          3HD1      LEU  65  -2.517 -13.320  -3.655
  118   1HD2  LEU  65          1HD2      LEU  65  -6.663 -13.567  -2.854
  119   2HD2  LEU  65          2HD2      LEU  65  -5.730 -15.026  -2.521
  120   3HD2  LEU  65          3HD2      LEU  65  -5.420 -13.554  -1.603
  121    H    GLN  66           H        GLN  66  -6.382 -13.173  -7.076
  122    HA   GLN  66           HA       GLN  66  -7.990 -12.416  -8.613
  123   1HB   GLN  66          1HB       GLN  66  -7.700 -10.261  -6.551
  124   2HB   GLN  66          2HB       GLN  66  -8.706  -9.935  -7.963
  125   1HG   GLN  66          1HG       GLN  66  -9.685 -12.339  -7.394
  126   2HG   GLN  66          2HG       GLN  66  -9.095 -11.945  -5.779
  127   1HE2  GLN  66          2HE2      GLN  66 -11.164 -11.542  -4.808
  128   2HE2  GLN  66          1HE2      GLN  66 -12.167 -10.259  -5.287
  129    H    SER  67           H        SER  67  -6.594  -9.166  -8.239
  130    HA   SER  67           HA       SER  67  -5.804  -9.269 -11.122
  131   1HB   SER  67          1HB       SER  67  -6.194  -6.870  -9.314
  132   2HB   SER  67          2HB       SER  67  -6.184  -6.895 -11.076
  133    HG   SER  67           HG       SER  67  -8.300  -6.878  -9.927
  134    H    TYR  68           H        TYR  68  -4.116  -6.963 -10.985
  135    HA   TYR  68           HA       TYR  68  -1.789  -8.025  -9.411
  136   1HB   TYR  68          1HB       TYR  68  -0.419  -7.165 -11.300
  137   2HB   TYR  68          2HB       TYR  68  -1.604  -8.348 -11.851
  138    HD1  TYR  68           HD1      TYR  68  -0.711  -4.767 -11.772
  139    HD2  TYR  68           HD2      TYR  68  -3.508  -7.688 -13.217
  140    HE1  TYR  68           HE1      TYR  68  -1.652  -3.091 -13.339
  141    HE2  TYR  68           HE2      TYR  68  -4.449  -6.013 -14.785
  142    HH   TYR  68           HH       TYR  68  -4.445  -3.168 -14.651
  143    H    ILE  69           H        ILE  69  -0.046  -5.966  -9.613
  144    HA   ILE  69           HA       ILE  69  -1.452  -3.456  -8.861
  145    HB   ILE  69           HB       ILE  69  -1.227  -4.900  -6.849
  146   1HG1  ILE  69          1HG1      ILE  69   0.798  -2.788  -6.340
  147   2HG1  ILE  69          2HG1      ILE  69  -0.727  -2.243  -7.038
  148   1HG2  ILE  69          1HG2      ILE  69   1.098  -5.767  -7.900
  149   2HG2  ILE  69          2HG2      ILE  69   1.725  -4.536  -6.805
  150   3HG2  ILE  69          3HG2      ILE  69   0.743  -5.858  -6.175
  151   1HD1  ILE  69          1HD1      ILE  69  -1.673  -3.933  -5.148
  152   2HD1  ILE  69          2HD1      ILE  69  -0.182  -3.409  -4.362
  153   3HD1  ILE  69          3HD1      ILE  69  -1.390  -2.217  -4.847
  154    H    CYS  70           H        CYS  70  -0.237  -1.635  -9.384
  155    HA   CYS  70           HA       CYS  70   2.575  -2.088 -10.327
  156   1HB   CYS  70          1HB       CYS  70   0.225  -0.624 -11.504
  157   2HB   CYS  70          2HB       CYS  70   1.866  -0.146 -11.937
  158    H    PHE  71           H        PHE  71   3.971  -0.934  -9.072
  159    HA   PHE  71           HA       PHE  71   2.994   1.456  -7.586
  160   1HB   PHE  71          1HB       PHE  71   5.549  -0.185  -7.469
  161   2HB   PHE  71          2HB       PHE  71   5.147   1.130  -6.367
  162    HD1  PHE  71           HD1      PHE  71   3.036   0.941  -4.952
  163    HD2  PHE  71           HD2      PHE  71   4.696  -2.370  -7.128
  164    HE1  PHE  71           HE1      PHE  71   1.738  -0.636  -3.544
  165    HE2  PHE  71           HE2      PHE  71   3.400  -3.947  -5.720
  166    HZ   PHE  71           HZ       PHE  71   1.921  -3.079  -3.928
  167    H    CYS  72           H        CYS  72   3.106   3.232  -8.962
  168    HA   CYS  72           HA       CYS  72   5.616   3.612 -10.558
  169   1HB   CYS  72          1HB       CYS  72   2.800   4.710 -10.833
  170   2HB   CYS  72          2HB       CYS  72   4.139   5.123 -11.904
  171    H    LEU  73           H        LEU  73   5.603   6.266 -11.003
  172    HA   LEU  73           HA       LEU  73   6.259   7.410  -8.362
  173   1HB   LEU  73          1HB       LEU  73   6.497   8.399 -11.224
  174   2HB   LEU  73          2HB       LEU  73   7.176   9.224  -9.823
  175    HG   LEU  73           HG       LEU  73   7.839   6.334 -10.214
  176   1HD1  LEU  73          1HD1      LEU  73   8.633   8.572 -12.007
  177   2HD1  LEU  73          2HD1      LEU  73   9.917   7.475 -11.499
  178   3HD1  LEU  73          3HD1      LEU  73   8.505   6.847 -12.350
  179   1HD2  LEU  73          1HD2      LEU  73   9.282   8.788  -9.164
  180   2HD2  LEU  73          2HD2      LEU  73   8.638   7.450  -8.213
  181   3HD2  LEU  73          3HD2      LEU  73  10.019   7.190  -9.278
  182    HA   PRO  74           HA       PRO  74   2.618   9.849  -7.928
  183   1HB   PRO  74          1HB       PRO  74   3.577  12.294  -7.130
  184   2HB   PRO  74          2HB       PRO  74   3.522  10.873  -6.066
  185   1HG   PRO  74          1HG       PRO  74   5.814  11.978  -7.626
  186   2HG   PRO  74          2HG       PRO  74   5.776  11.359  -5.965
  187   1HD   PRO  74          1HD       PRO  74   6.713   9.884  -8.011
  188   2HD   PRO  74          2HD       PRO  74   5.847   9.152  -6.641
  189    H    ALA  75           H        ALA  75   5.101  10.846 -10.142
  190    HA   ALA  75           HA       ALA  75   3.409  12.935 -11.394
  191   1HB   ALA  75          1HB       ALA  75   6.230  12.078 -11.340
  192   2HB   ALA  75          2HB       ALA  75   5.672  12.599 -12.930
  193   3HB   ALA  75          3HB       ALA  75   5.552  13.693 -11.552
  194    H    PHE  76           H        PHE  76   2.967   9.804 -11.447
  195    HA   PHE  76           HA       PHE  76   2.560   9.668 -14.415
  196   1HB   PHE  76          1HB       PHE  76   3.824   7.741 -12.476
  197   2HB   PHE  76          2HB       PHE  76   3.087   7.144 -13.965
  198    HD1  PHE  76           HD1      PHE  76   5.542   9.651 -12.678
  199    HD2  PHE  76           HD2      PHE  76   4.255   7.258 -16.003
  200    HE1  PHE  76           HE1      PHE  76   7.552  10.342 -13.952
  201    HE2  PHE  76           HE2      PHE  76   6.265   7.949 -17.278
  202    HZ   PHE  76           HZ       PHE  76   7.910   9.495 -16.255
  203    H    GLU  77           H        GLU  77   0.531   8.969 -14.998
  204    HA   GLU  77           HA       GLU  77  -1.186   7.666 -12.923
  205   1HB   GLU  77          1HB       GLU  77  -3.007   9.201 -13.625
  206   2HB   GLU  77          2HB       GLU  77  -1.622  10.093 -12.998
  207   1HG   GLU  77          1HG       GLU  77  -0.831  10.450 -15.332
  208   2HG   GLU  77          2HG       GLU  77  -2.275   9.629 -15.924
  209    H    GLY  78           H        GLY  78  -3.465   7.333 -14.370
  210   1HA   GLY  78          1HA       GLY  78  -4.282   6.537 -16.550
  211   2HA   GLY  78          2HA       GLY  78  -2.645   5.984 -16.905
  212    H    ARG  79           H        ARG  79  -5.026   4.341 -16.996
  213    HA   ARG  79           HA       ARG  79  -5.433   2.720 -14.690
  214   1HB   ARG  79          1HB       ARG  79  -5.828   2.544 -17.635
  215   2HB   ARG  79          2HB       ARG  79  -5.882   1.020 -16.749
  216   1HG   ARG  79          1HG       ARG  79  -8.095   1.656 -16.546
  217   2HG   ARG  79          2HG       ARG  79  -7.431   2.441 -15.112
  218   1HD   ARG  79          1HD       ARG  79  -7.107   4.533 -16.470
  219   2HD   ARG  79          2HD       ARG  79  -7.955   3.736 -17.810
  220    HE   ARG  79           HE       ARG  79  -9.358   3.656 -15.223
  221   1HH1  ARG  79          1HH1      ARG  79  -8.807   5.570 -18.082
  222   2HH1  ARG  79          2HH1      ARG  79 -10.422   6.186 -18.111
  223   1HH2  ARG  79          1HH2      ARG  79 -11.490   4.369 -15.368
  224   2HH2  ARG  79          2HH2      ARG  79 -11.927   5.515 -16.590
  225    H    ASN  80           H        ASN  80  -2.835   2.751 -17.050
  226    HA   ASN  80           HA       ASN  80  -1.526   0.490 -15.579
  227   1HB   ASN  80          1HB       ASN  80  -1.771   1.025 -18.555
  228   2HB   ASN  80          2HB       ASN  80  -0.669  -0.173 -17.877
  229   1HD2  ASN  80          2HD2      ASN  80  -2.163  -1.381 -15.887
  230   2HD2  ASN  80          1HD2      ASN  80  -3.560  -2.092 -16.537
  231    H    CYS  81           H        CYS  81  -1.112   3.312 -15.121
  232    HA   CYS  81           HA       CYS  81   0.624   4.917 -14.999
  233   1HB   CYS  81          1HB       CYS  81   1.984   2.232 -15.245
  234   2HB   CYS  81          2HB       CYS  81   2.920   3.710 -15.022
  235    H    GLU  82           H        GLU  82  -0.502   4.321 -17.706
  236    HA   GLU  82           HA       GLU  82   1.848   4.615 -19.499
  237   1HB   GLU  82          1HB       GLU  82   0.117   4.319 -21.258
  238   2HB   GLU  82          2HB       GLU  82   0.063   3.027 -20.060
  239   1HG   GLU  82          1HG       GLU  82  -1.973   3.687 -19.242
  240   2HG   GLU  82          2HG       GLU  82  -1.640   5.399 -19.496
  241    H    THR  83           H        THR  83   0.587   6.800 -17.590
  242    HA   THR  83           HA       THR  83   0.607   8.948 -19.672
  243    HB   THR  83           HB       THR  83  -1.392   8.631 -17.410
  244    HG1  THR  83           HG1      THR  83  -2.745   7.885 -18.903
  245   1HG2  THR  83          1HG2      THR  83  -0.868  10.740 -19.477
  246   2HG2  THR  83          2HG2      THR  83  -2.522  10.455 -18.936
  247   3HG2  THR  83          3HG2      THR  83  -1.282  10.927 -17.773
  248    H    HIS  84           H        HIS  84   1.615  10.840 -18.982
  249    HA   HIS  84           HA       HIS  84   3.024  10.746 -16.365
  250   1HB   HIS  84          1HB       HIS  84   3.180  12.522 -18.824
  251   2HB   HIS  84          2HB       HIS  84   4.221  12.704 -17.412
  252    HD1  HIS  84           HD1      HIS  84   3.297  10.045 -19.984
  253    HD2  HIS  84           HD2      HIS  84   6.456  11.073 -17.466
  254    HE1  HIS  84           HE1      HIS  84   5.194   8.459 -20.531
  255    H    LYS  85           H        LYS  85   2.088  11.805 -14.643
  256    HA   LYS  85           HA       LYS  85  -0.247  13.458 -14.832
  257   1HB   LYS  85          1HB       LYS  85   1.883  13.023 -12.724
  258   2HB   LYS  85          2HB       LYS  85   0.463  14.025 -12.434
  259   1HG   LYS  85          1HG       LYS  85  -0.729  11.818 -13.461
  260   2HG   LYS  85          2HG       LYS  85   0.677  11.077 -12.696
  261   1HD   LYS  85          1HD       LYS  85  -0.087  12.789 -10.730
  262   2HD   LYS  85          2HD       LYS  85  -1.652  12.433 -11.459
  263   1HE   LYS  85          1HE       LYS  85  -0.524   9.923 -11.341
  264   2HE   LYS  85          2HE       LYS  85   0.102  10.680  -9.863
  265   1HZ   LYS  85          1HZ       LYS  85  -2.132  11.420  -9.327
  266   2HZ   LYS  85          2HZ       LYS  85  -2.740  10.691 -10.737
  267   3HZ   LYS  85          3HZ       LYS  85  -2.101   9.729  -9.493
  268    H    ASP  86           H        ASP  86   3.204  14.200 -14.867
  269    HA   ASP  86           HA       ASP  86   2.931  17.063 -14.485
  270   1HB   ASP  86          1HB       ASP  86   5.311  17.033 -15.230
  271   2HB   ASP  86          2HB       ASP  86   4.987  15.806 -14.007
  272    H    ASP  87           H        ASP  87   1.083  17.230 -16.138
  273    HA   ASP  87           HA       ASP  87   1.766  17.024 -18.980
  274   1HB   ASP  87          1HB       ASP  87  -0.495  16.629 -17.984
  275   2HB   ASP  87          2HB       ASP  87  -0.570  18.339 -17.554
  276    H    GLY  88           H        GLY  88   1.687  19.548 -16.521
  277   1HA   GLY  88          1HA       GLY  88   2.505  21.544 -18.596
  278   2HA   GLY  88          2HA       GLY  88   1.671  21.970 -17.101
  279    H    SER  89           H        SER  89   3.205  23.236 -16.092
  280    HA   SER  89           HA       SER  89   5.745  21.875 -15.301
  281   1HB   SER  89          1HB       SER  89   7.028  23.778 -16.009
  282   2HB   SER  89          2HB       SER  89   5.951  23.393 -17.348
  283    HG   SER  89           HG       SER  89   6.135  25.650 -15.941
  284    H    ALA  90           H        ALA  90   6.527  22.565 -13.254
  285    HA   ALA  90           HA       ALA  90   5.282  24.803 -11.820
  286   1HB   ALA  90          1HB       ALA  90   4.398  21.986 -11.581
  287   2HB   ALA  90          2HB       ALA  90   4.662  22.816 -10.048
  288   3HB   ALA  90          3HB       ALA  90   3.519  23.471 -11.221
  289    H1   FUC  91           H1       FUC  91   9.220  -0.743  -7.908
  290    H2   FUC  91           H2       FUC  91  11.153   0.787  -8.121
  291    H3   FUC  91           H3       FUC  91  10.007   1.337 -10.903
  292    H4   FUC  91           H4       FUC  91   9.744   3.637 -10.044
  293    H5   FUC  91           H5       FUC  91   7.885   2.012  -9.872
  294   1H6   FUC  91          1H6       FUC  91   6.751   2.922  -7.729
  295   2H6   FUC  91          2H6       FUC  91   8.227   3.912  -7.514
  296   3H6   FUC  91          3H6       FUC  91   7.217   4.118  -8.977
  297    HO2  FUC  91           HO2      FUC  91  10.967  -0.770 -10.514
  298    HO3  FUC  91           HO3      FUC  91  11.867   2.420 -11.253
  299    HO4  FUC  91           HO4      FUC  91  11.381   3.572  -8.425
  Start of MODEL   18
    1   1H    SER  45          1H        SER  45   1.259 -15.808  -7.988
    2   2H    SER  45          2H        SER  45   2.586 -16.864  -7.888
    3   3H    SER  45          3H        SER  45   1.616 -16.853  -9.279
    4    HA   SER  45           HA       SER  45   0.994 -18.770  -8.023
    5   1HB   SER  45          1HB       SER  45   0.544 -16.862  -5.719
    6   2HB   SER  45          2HB       SER  45   0.630 -18.620  -5.664
    7    HG   SER  45           HG       SER  45   2.776 -18.535  -5.901
    8    H    ASP  46           H        ASP  46  -1.295 -19.309  -7.399
    9    HA   ASP  46           HA       ASP  46  -3.608 -19.137  -7.784
   10   1HB   ASP  46          1HB       ASP  46  -2.702 -16.462  -6.781
   11   2HB   ASP  46          2HB       ASP  46  -4.365 -16.616  -7.351
   12    H    GLY  47           H        GLY  47  -3.014 -15.839  -8.978
   13   1HA   GLY  47          1HA       GLY  47  -3.182 -16.754 -11.784
   14   2HA   GLY  47          2HA       GLY  47  -4.505 -15.738 -11.205
   15    H    ASP  48           H        ASP  48  -1.500 -15.668 -12.677
   16    HA   ASP  48           HA       ASP  48  -0.831 -12.930 -11.691
   17   1HB   ASP  48          1HB       ASP  48   0.632 -15.036 -13.311
   18   2HB   ASP  48          2HB       ASP  48   1.301 -13.440 -12.964
   19    H    GLN  49           H        GLN  49  -0.828 -11.168 -13.118
   20    HA   GLN  49           HA       GLN  49  -1.578 -11.666 -15.969
   21   1HB   GLN  49          1HB       GLN  49  -2.988 -10.091 -13.838
   22   2HB   GLN  49          2HB       GLN  49  -3.132  -9.600 -15.525
   23   1HG   GLN  49          1HG       GLN  49  -4.172 -11.612 -16.154
   24   2HG   GLN  49          2HG       GLN  49  -3.595 -12.464 -14.722
   25   1HE2  GLN  49          2HE2      GLN  49  -5.215  -9.259 -14.898
   26   2HE2  GLN  49          1HE2      GLN  49  -6.536  -9.705 -13.931
   27    H    CYS  50           H        CYS  50   0.924 -10.764 -14.507
   28    HA   CYS  50           HA       CYS  50   1.193  -8.006 -15.651
   29   1HB   CYS  50          1HB       CYS  50   1.515  -8.342 -13.199
   30   2HB   CYS  50          2HB       CYS  50   2.828  -9.466 -13.551
   31    H    ALA  51           H        ALA  51   2.262 -11.294 -15.974
   32    HA   ALA  51           HA       ALA  51   4.878 -11.007 -17.019
   33   1HB   ALA  51          1HB       ALA  51   3.672 -13.115 -16.414
   34   2HB   ALA  51          2HB       ALA  51   2.694 -12.935 -17.870
   35   3HB   ALA  51          3HB       ALA  51   4.432 -13.200 -18.003
   36    H    SER  52           H        SER  52   1.823 -10.099 -18.447
   37    HA   SER  52           HA       SER  52   2.890 -10.053 -21.201
   38   1HB   SER  52          1HB       SER  52   0.282  -9.569 -19.801
   39   2HB   SER  52          2HB       SER  52   0.497  -8.951 -21.436
   40    HG   SER  52           HG       SER  52  -0.248 -11.306 -20.888
   41    H    SER  53           H        SER  53   3.649  -8.125 -18.739
   42    HA   SER  53           HA       SER  53   4.233  -5.851 -18.492
   43   1HB   SER  53          1HB       SER  53   4.359  -6.065 -21.514
   44   2HB   SER  53          2HB       SER  53   5.279  -4.960 -20.496
   45    HG   SER  53           HG       SER  53   6.330  -6.739 -19.600
   46    HA   PRO  54           HA       PRO  54   0.005  -4.499 -20.136
   47   1HB   PRO  54          1HB       PRO  54  -1.369  -4.450 -17.772
   48   2HB   PRO  54          2HB       PRO  54  -1.309  -5.879 -18.822
   49   1HG   PRO  54          1HG       PRO  54   0.212  -5.293 -16.335
   50   2HG   PRO  54          2HG       PRO  54  -0.473  -6.821 -16.906
   51   1HD   PRO  54          1HD       PRO  54   2.176  -6.180 -17.096
   52   2HD   PRO  54          2HD       PRO  54   1.350  -7.303 -18.198
   53    H    CYS  55           H        CYS  55   1.948  -3.687 -17.313
   54    HA   CYS  55           HA       CYS  55   0.889  -0.939 -17.136
   55   1HB   CYS  55          1HB       CYS  55   3.114  -2.454 -15.733
   56   2HB   CYS  55          2HB       CYS  55   2.575  -0.836 -15.283
   57    H    GLN  56           H        GLN  56   2.653   0.865 -17.072
   58    HA   GLN  56           HA       GLN  56   4.835   0.377 -19.054
   59   1HB   GLN  56          1HB       GLN  56   2.409   1.350 -19.789
   60   2HB   GLN  56          2HB       GLN  56   3.225   2.853 -19.363
   61   1HG   GLN  56          1HG       GLN  56   4.375   2.812 -21.295
   62   2HG   GLN  56          2HG       GLN  56   5.050   1.236 -20.886
   63   1HE2  GLN  56          2HE2      GLN  56   2.617  -0.299 -20.894
   64   2HE2  GLN  56          1HE2      GLN  56   2.024  -0.343 -22.484
   65    H    ASN  57           H        ASN  57   5.700   2.966 -19.358
   66    HA   ASN  57           HA       ASN  57   7.085   4.572 -18.335
   67   1HB   ASN  57          1HB       ASN  57   4.665   4.309 -16.563
   68   2HB   ASN  57          2HB       ASN  57   5.956   5.433 -16.138
   69   1HD2  ASN  57          2HD2      ASN  57   3.096   5.893 -17.219
   70   2HD2  ASN  57          1HD2      ASN  57   3.327   6.918 -18.551
   71    H    GLY  58           H        GLY  58   7.428   1.610 -17.605
   72   1HA   GLY  58          1HA       GLY  58   8.813   0.357 -16.190
   73   2HA   GLY  58          2HA       GLY  58   9.611   1.882 -15.811
   74    H    GLY  59           H        GLY  59   6.192   1.395 -15.203
   75   1HA   GLY  59          1HA       GLY  59   6.381   2.207 -12.470
   76   2HA   GLY  59          2HA       GLY  59   4.980   1.412 -13.192
   77    H    SER  60           H        SER  60   5.809   0.805 -10.569
   78    HA   SER  60           HA       SER  60   7.353  -1.718 -10.681
   79   1HB   SER  60          1HB       SER  60   6.176   0.078  -8.569
   80   2HB   SER  60          2HB       SER  60   6.731  -1.539  -8.143
   81    H    CYS  61           H        CYS  61   6.134  -3.394 -11.514
   82    HA   CYS  61           HA       CYS  61   3.256  -3.635 -10.893
   83   1HB   CYS  61          1HB       CYS  61   4.238  -4.024 -13.151
   84   2HB   CYS  61          2HB       CYS  61   5.163  -5.372 -12.492
   85    H    LYS  62           H        LYS  62   2.372  -5.557  -9.900
   86    HA   LYS  62           HA       LYS  62   4.232  -7.384  -8.483
   87   1HB   LYS  62          1HB       LYS  62   3.350  -5.078  -7.284
   88   2HB   LYS  62          2HB       LYS  62   2.099  -6.220  -6.792
   89   1HG   LYS  62          1HG       LYS  62   4.272  -7.746  -6.334
   90   2HG   LYS  62          2HG       LYS  62   4.989  -6.154  -6.082
   91   1HD   LYS  62          1HD       LYS  62   3.007  -5.646  -4.558
   92   2HD   LYS  62          2HD       LYS  62   2.621  -7.365  -4.641
   93   1HE   LYS  62          1HE       LYS  62   4.464  -7.979  -3.385
   94   2HE   LYS  62          2HE       LYS  62   5.441  -6.614  -3.964
   95   1HZ   LYS  62          1HZ       LYS  62   3.038  -6.301  -2.248
   96   2HZ   LYS  62          2HZ       LYS  62   4.619  -6.371  -1.631
   97   3HZ   LYS  62          3HZ       LYS  62   4.170  -5.105  -2.666
   98    H    ASP  63           H        ASP  63   3.303  -9.416  -8.246
   99    HA   ASP  63           HA       ASP  63   0.750  -9.946  -9.568
  100   1HB   ASP  63          1HB       ASP  63   3.086 -11.380  -8.499
  101   2HB   ASP  63          2HB       ASP  63   1.574 -12.253  -8.266
  102    H    GLN  64           H        GLN  64  -1.221 -10.226  -8.576
  103    HA   GLN  64           HA       GLN  64  -1.324 -10.617  -5.618
  104   1HB   GLN  64          1HB       GLN  64  -2.440  -8.369  -7.289
  105   2HB   GLN  64          2HB       GLN  64  -3.205  -8.807  -5.761
  106   1HG   GLN  64          1HG       GLN  64  -0.236  -8.295  -5.949
  107   2HG   GLN  64          2HG       GLN  64  -1.385  -6.984  -5.676
  108   1HE2  GLN  64          2HE2      GLN  64  -0.502  -6.678  -3.472
  109   2HE2  GLN  64          1HE2      GLN  64  -0.892  -7.769  -2.233
  110    H    LEU  65           H        LEU  65  -4.019 -10.554  -5.236
  111    HA   LEU  65           HA       LEU  65  -4.940 -13.013  -6.485
  112   1HB   LEU  65          1HB       LEU  65  -5.833 -11.030  -4.459
  113   2HB   LEU  65          2HB       LEU  65  -7.112 -11.969  -5.230
  114    HG   LEU  65           HG       LEU  65  -5.465 -13.989  -4.740
  115   1HD1  LEU  65          1HD1      LEU  65  -4.693 -11.867  -2.720
  116   2HD1  LEU  65          2HD1      LEU  65  -4.365 -13.585  -2.499
  117   3HD1  LEU  65          3HD1      LEU  65  -3.626 -12.713  -3.842
  118   1HD2  LEU  65          1HD2      LEU  65  -7.772 -13.686  -3.849
  119   2HD2  LEU  65          2HD2      LEU  65  -6.683 -14.376  -2.646
  120   3HD2  LEU  65          3HD2      LEU  65  -7.120 -12.669  -2.564
  121    H    GLN  66           H        GLN  66  -6.771 -13.225  -7.904
  122    HA   GLN  66           HA       GLN  66  -8.076 -12.664  -9.777
  123   1HB   GLN  66          1HB       GLN  66  -8.250 -10.351  -7.881
  124   2HB   GLN  66          2HB       GLN  66  -8.956 -10.160  -9.486
  125   1HG   GLN  66          1HG       GLN  66  -9.564 -12.693  -8.041
  126   2HG   GLN  66          2HG       GLN  66 -10.334 -11.224  -7.439
  127   1HE2  GLN  66          2HE2      GLN  66 -11.635 -13.501  -8.883
  128   2HE2  GLN  66          1HE2      GLN  66 -12.338 -12.823 -10.272
  129    H    SER  67           H        SER  67  -6.870  -9.336  -9.433
  130    HA   SER  67           HA       SER  67  -5.503  -9.653 -12.077
  131   1HB   SER  67          1HB       SER  67  -7.417  -8.052 -11.810
  132   2HB   SER  67          2HB       SER  67  -6.471  -7.179 -10.608
  133    HG   SER  67           HG       SER  67  -5.937  -6.155 -12.420
  134    H    TYR  68           H        TYR  68  -3.938  -7.311 -11.904
  135    HA   TYR  68           HA       TYR  68  -1.959  -8.069  -9.779
  136   1HB   TYR  68          1HB       TYR  68  -0.286  -7.207 -11.409
  137   2HB   TYR  68          2HB       TYR  68  -1.254  -8.509 -12.098
  138    HD1  TYR  68           HD1      TYR  68  -0.751  -4.833 -12.025
  139    HD2  TYR  68           HD2      TYR  68  -2.759  -8.115 -13.933
  140    HE1  TYR  68           HE1      TYR  68  -1.464  -3.329 -13.864
  141    HE2  TYR  68           HE2      TYR  68  -3.472  -6.612 -15.772
  142    HH   TYR  68           HH       TYR  68  -3.871  -4.027 -15.979
  143    H    ILE  69           H        ILE  69  -0.326  -5.911  -9.785
  144    HA   ILE  69           HA       ILE  69  -1.971  -3.455  -9.498
  145    HB   ILE  69           HB       ILE  69  -2.174  -4.763  -7.408
  146   1HG1  ILE  69          1HG1      ILE  69  -0.338  -2.599  -6.546
  147   2HG1  ILE  69          2HG1      ILE  69  -1.643  -2.103  -7.624
  148   1HG2  ILE  69          1HG2      ILE  69   0.090  -5.886  -7.703
  149   2HG2  ILE  69          2HG2      ILE  69   0.813  -4.398  -7.088
  150   3HG2  ILE  69          3HG2      ILE  69  -0.277  -5.337  -6.067
  151   1HD1  ILE  69          1HD1      ILE  69  -2.449  -3.948  -5.455
  152   2HD1  ILE  69          2HD1      ILE  69  -1.926  -2.349  -4.922
  153   3HD1  ILE  69          3HD1      ILE  69  -3.258  -2.506  -6.067
  154    H    CYS  70           H        CYS  70  -0.768  -1.800 -10.332
  155    HA   CYS  70           HA       CYS  70   2.220  -2.051 -10.294
  156   1HB   CYS  70          1HB       CYS  70   0.211  -0.980 -12.261
  157   2HB   CYS  70          2HB       CYS  70   1.881  -0.414 -12.309
  158    H    PHE  71           H        PHE  71   3.258  -0.529  -9.093
  159    HA   PHE  71           HA       PHE  71   1.760   1.799  -8.036
  160   1HB   PHE  71          1HB       PHE  71   4.562   0.710  -7.584
  161   2HB   PHE  71          2HB       PHE  71   3.837   2.030  -6.667
  162    HD1  PHE  71           HD1      PHE  71   1.955   1.621  -5.134
  163    HD2  PHE  71           HD2      PHE  71   3.840  -1.590  -7.275
  164    HE1  PHE  71           HE1      PHE  71   0.862  -0.022  -3.631
  165    HE2  PHE  71           HE2      PHE  71   2.747  -3.233  -5.774
  166    HZ   PHE  71           HZ       PHE  71   1.258  -2.450  -3.952
  167    H    CYS  72           H        CYS  72   1.643   3.418  -9.590
  168    HA   CYS  72           HA       CYS  72   3.685   3.919 -11.572
  169   1HB   CYS  72          1HB       CYS  72   1.485   5.731 -10.526
  170   2HB   CYS  72          2HB       CYS  72   2.299   5.875 -12.079
  171    H    LEU  73           H        LEU  73   4.677   6.218 -11.708
  172    HA   LEU  73           HA       LEU  73   6.213   6.708  -9.245
  173   1HB   LEU  73          1HB       LEU  73   6.238   7.502 -12.129
  174   2HB   LEU  73          2HB       LEU  73   7.089   8.543 -10.989
  175    HG   LEU  73           HG       LEU  73   7.505   5.550 -11.069
  176   1HD1  LEU  73          1HD1      LEU  73   8.056   6.763 -13.264
  177   2HD1  LEU  73          2HD1      LEU  73   9.308   7.610 -12.352
  178   3HD1  LEU  73          3HD1      LEU  73   9.371   5.855 -12.517
  179   1HD2  LEU  73          1HD2      LEU  73   9.119   7.871  -9.962
  180   2HD2  LEU  73          2HD2      LEU  73   8.199   6.703  -9.014
  181   3HD2  LEU  73          3HD2      LEU  73   9.619   6.180  -9.920
  182    HA   PRO  74           HA       PRO  74   3.985  10.224  -7.809
  183   1HB   PRO  74          1HB       PRO  74   5.900  12.144  -7.385
  184   2HB   PRO  74          2HB       PRO  74   5.681  10.736  -6.324
  185   1HG   PRO  74          1HG       PRO  74   7.657  11.158  -8.521
  186   2HG   PRO  74          2HG       PRO  74   7.893  10.447  -6.916
  187   1HD   PRO  74          1HD       PRO  74   7.643   8.930  -9.126
  188   2HD   PRO  74          2HD       PRO  74   7.022   8.403  -7.545
  189    H    ALA  75           H        ALA  75   6.091  10.672 -10.576
  190    HA   ALA  75           HA       ALA  75   4.597  13.120 -11.408
  191   1HB   ALA  75          1HB       ALA  75   7.209  11.794 -12.138
  192   2HB   ALA  75          2HB       ALA  75   6.506  13.034 -13.179
  193   3HB   ALA  75          3HB       ALA  75   6.941  13.422 -11.514
  194    H    PHE  76           H        PHE  76   3.638  10.184 -11.541
  195    HA   PHE  76           HA       PHE  76   2.926  10.226 -14.452
  196   1HB   PHE  76          1HB       PHE  76   4.088   8.042 -12.730
  197   2HB   PHE  76          2HB       PHE  76   3.119   7.636 -14.146
  198    HD1  PHE  76           HD1      PHE  76   6.207   9.308 -12.976
  199    HD2  PHE  76           HD2      PHE  76   3.924   8.037 -16.384
  200    HE1  PHE  76           HE1      PHE  76   8.164   9.724 -14.443
  201    HE2  PHE  76           HE2      PHE  76   5.880   8.453 -17.851
  202    HZ   PHE  76           HZ       PHE  76   7.999   9.296 -16.881
  203    H    GLU  77           H        GLU  77   0.957   8.836 -14.866
  204    HA   GLU  77           HA       GLU  77  -0.770   8.319 -12.505
  205   1HB   GLU  77          1HB       GLU  77  -0.822  10.758 -13.698
  206   2HB   GLU  77          2HB       GLU  77  -2.001   9.906 -14.695
  207   1HG   GLU  77          1HG       GLU  77  -3.426  10.563 -13.022
  208   2HG   GLU  77          2HG       GLU  77  -2.824   9.090 -12.261
  209    H    GLY  78           H        GLY  78  -3.024   7.511 -13.472
  210   1HA   GLY  78          1HA       GLY  78  -4.133   6.331 -15.314
  211   2HA   GLY  78          2HA       GLY  78  -2.540   5.904 -15.940
  212    H    ARG  79           H        ARG  79  -4.850   4.166 -15.149
  213    HA   ARG  79           HA       ARG  79  -4.341   2.787 -12.698
  214   1HB   ARG  79          1HB       ARG  79  -5.814   2.392 -15.233
  215   2HB   ARG  79          2HB       ARG  79  -5.389   0.899 -14.396
  216   1HG   ARG  79          1HG       ARG  79  -6.486   1.643 -12.372
  217   2HG   ARG  79          2HG       ARG  79  -6.759   3.247 -13.057
  218   1HD   ARG  79          1HD       ARG  79  -7.931   0.669 -14.167
  219   2HD   ARG  79          2HD       ARG  79  -8.818   1.857 -13.192
  220    HE   ARG  79           HE       ARG  79  -8.137   2.158 -15.990
  221   1HH1  ARG  79          1HH1      ARG  79  -8.846   3.835 -13.017
  222   2HH1  ARG  79          2HH1      ARG  79  -9.016   5.368 -13.798
  223   1HH2  ARG  79          1HH2      ARG  79  -8.228   4.190 -16.953
  224   2HH2  ARG  79          2HH2      ARG  79  -8.671   5.569 -16.004
  225    H    ASN  80           H        ASN  80  -3.048   2.313 -15.979
  226    HA   ASN  80           HA       ASN  80  -1.258   0.146 -14.965
  227   1HB   ASN  80          1HB       ASN  80  -2.009   1.104 -17.748
  228   2HB   ASN  80          2HB       ASN  80  -0.970  -0.280 -17.408
  229   1HD2  ASN  80          2HD2      ASN  80  -2.320  -1.515 -15.282
  230   2HD2  ASN  80          1HD2      ASN  80  -3.861  -2.012 -15.793
  231    H    CYS  81           H        CYS  81  -0.909   3.162 -14.561
  232    HA   CYS  81           HA       CYS  81   0.840   4.749 -14.646
  233   1HB   CYS  81          1HB       CYS  81   2.438   2.221 -15.176
  234   2HB   CYS  81          2HB       CYS  81   3.072   3.731 -14.533
  235    H    GLU  82           H        GLU  82  -0.540   4.637 -17.060
  236    HA   GLU  82           HA       GLU  82   1.624   4.686 -19.137
  237   1HB   GLU  82          1HB       GLU  82  -0.261   4.282 -20.713
  238   2HB   GLU  82          2HB       GLU  82  -0.149   3.022 -19.487
  239   1HG   GLU  82          1HG       GLU  82  -1.993   3.906 -18.261
  240   2HG   GLU  82          2HG       GLU  82  -1.952   5.427 -19.155
  241    H    THR  83           H        THR  83   0.598   6.879 -17.187
  242    HA   THR  83           HA       THR  83  -0.014   8.925 -19.296
  243    HB   THR  83           HB       THR  83  -0.897   9.006 -16.405
  244    HG1  THR  83           HG1      THR  83  -2.684   7.916 -16.958
  245   1HG2  THR  83          1HG2      THR  83  -0.939  11.078 -17.850
  246   2HG2  THR  83          2HG2      THR  83  -2.098  10.250 -18.889
  247   3HG2  THR  83          3HG2      THR  83  -2.512  10.600 -17.210
  248    H    HIS  84           H        HIS  84   1.031  10.960 -19.016
  249    HA   HIS  84           HA       HIS  84   3.283  10.963 -17.032
  250   1HB   HIS  84          1HB       HIS  84   3.410  10.976 -19.734
  251   2HB   HIS  84          2HB       HIS  84   3.292  12.712 -19.443
  252    HD1  HIS  84           HD1      HIS  84   5.693   9.988 -19.491
  253    HD2  HIS  84           HD2      HIS  84   5.368  13.620 -17.472
  254    HE1  HIS  84           HE1      HIS  84   8.000  10.515 -18.592
  255    H    LYS  85           H        LYS  85   1.883  11.989 -15.411
  256    HA   LYS  85           HA       LYS  85   0.640  14.585 -15.999
  257   1HB   LYS  85          1HB       LYS  85   0.984  12.763 -13.622
  258   2HB   LYS  85          2HB       LYS  85   0.338  14.390 -13.410
  259   1HG   LYS  85          1HG       LYS  85  -0.785  12.358 -15.358
  260   2HG   LYS  85          2HG       LYS  85  -1.443  12.658 -13.749
  261   1HD   LYS  85          1HD       LYS  85  -1.573  15.135 -14.472
  262   2HD   LYS  85          2HD       LYS  85  -1.357  14.528 -16.115
  263   1HE   LYS  85          1HE       LYS  85  -3.414  13.134 -14.474
  264   2HE   LYS  85          2HE       LYS  85  -3.802  14.785 -14.995
  265   1HZ   LYS  85          1HZ       LYS  85  -2.799  12.612 -16.760
  266   2HZ   LYS  85          2HZ       LYS  85  -4.405  13.162 -16.699
  267   3HZ   LYS  85          3HZ       LYS  85  -3.178  14.195 -17.248
  268    H    ASP  86           H        ASP  86   3.248  13.481 -13.793
  269    HA   ASP  86           HA       ASP  86   5.082  14.648 -12.868
  270   1HB   ASP  86          1HB       ASP  86   5.348  14.665 -15.463
  271   2HB   ASP  86          2HB       ASP  86   4.923  16.373 -15.337
  272    H    ASP  87           H        ASP  87   2.427  15.632 -12.139
  273    HA   ASP  87           HA       ASP  87   2.897  18.583 -11.918
  274   1HB   ASP  87          1HB       ASP  87   0.451  16.801 -11.762
  275   2HB   ASP  87          2HB       ASP  87   0.408  18.516 -11.352
  276    H    GLY  88           H        GLY  88   1.208  16.116  -9.945
  277   1HA   GLY  88          1HA       GLY  88   2.802  15.953  -7.706
  278   2HA   GLY  88          2HA       GLY  88   1.952  17.482  -7.473
  279    H    SER  89           H        SER  89   0.016  17.353  -6.460
  280    HA   SER  89           HA       SER  89  -1.168  14.716  -5.894
  281   1HB   SER  89          1HB       SER  89  -2.674  16.153  -4.486
  282   2HB   SER  89          2HB       SER  89  -0.964  16.407  -4.152
  283    HG   SER  89           HG       SER  89  -1.753  18.415  -4.422
  284    H    ALA  90           H        ALA  90  -3.726  14.745  -6.019
  285    HA   ALA  90           HA       ALA  90  -4.465  15.580  -8.799
  286   1HB   ALA  90          1HB       ALA  90  -4.428  13.129  -7.820
  287   2HB   ALA  90          2HB       ALA  90  -5.968  13.604  -7.103
  288   3HB   ALA  90          3HB       ALA  90  -5.764  13.634  -8.855
  289    H1   FUC  91           H1       FUC  91   8.396   0.032  -6.813
  290    H2   FUC  91           H2       FUC  91  10.267   1.635  -7.048
  291    H3   FUC  91           H3       FUC  91   9.788   1.268 -10.047
  292    H4   FUC  91           H4       FUC  91   9.245   3.674  -9.979
  293    H5   FUC  91           H5       FUC  91   7.459   1.979  -9.739
  294   1H6   FUC  91          1H6       FUC  91   7.221   4.553  -8.165
  295   2H6   FUC  91          2H6       FUC  91   5.886   3.361  -8.111
  296   3H6   FUC  91          3H6       FUC  91   6.399   4.061  -9.676
  297    HO2  FUC  91           HO2      FUC  91  10.664  -0.691  -7.247
  298    HO3  FUC  91           HO3      FUC  91  11.695   2.212 -10.281
  299    HO4  FUC  91           HO4      FUC  91   9.357   3.415  -7.130
  Start of MODEL   19
    1   1H    SER  45          1H        SER  45   0.749 -20.155 -10.339
    2   2H    SER  45          2H        SER  45   0.514 -19.979  -8.665
    3   3H    SER  45          3H        SER  45   0.777 -21.519  -9.326
    4    HA   SER  45           HA       SER  45  -1.331 -21.529 -10.406
    5   1HB   SER  45          1HB       SER  45  -1.342 -20.480  -7.561
    6   2HB   SER  45          2HB       SER  45  -2.742 -21.216  -8.336
    7    HG   SER  45           HG       SER  45  -0.246 -22.362  -7.676
    8    H    ASP  46           H        ASP  46  -1.481 -18.633  -8.313
    9    HA   ASP  46           HA       ASP  46  -3.053 -17.249 -10.444
   10   1HB   ASP  46          1HB       ASP  46  -3.533 -17.680  -7.795
   11   2HB   ASP  46          2HB       ASP  46  -2.754 -16.099  -7.725
   12    H    GLY  47           H        GLY  47  -0.379 -17.296 -11.068
   13   1HA   GLY  47          1HA       GLY  47   0.528 -14.529 -10.370
   14   2HA   GLY  47          2HA       GLY  47   1.665 -15.871 -10.520
   15    H    ASP  48           H        ASP  48  -1.102 -15.506 -12.651
   16    HA   ASP  48           HA       ASP  48   0.793 -15.005 -14.920
   17   1HB   ASP  48          1HB       ASP  48  -1.939 -16.323 -14.775
   18   2HB   ASP  48          2HB       ASP  48  -0.989 -16.137 -16.250
   19    H    GLN  49           H        GLN  49  -0.539 -12.958 -13.139
   20    HA   GLN  49           HA       GLN  49  -2.518 -11.675 -14.933
   21   1HB   GLN  49          1HB       GLN  49  -1.487 -11.324 -12.137
   22   2HB   GLN  49          2HB       GLN  49  -2.366 -10.008 -12.911
   23   1HG   GLN  49          1HG       GLN  49  -4.176 -11.108 -12.036
   24   2HG   GLN  49          2HG       GLN  49  -4.020 -12.045 -13.521
   25   1HE2  GLN  49          2HE2      GLN  49  -5.069 -13.040 -10.933
   26   2HE2  GLN  49          1HE2      GLN  49  -4.046 -14.310 -10.461
   27    H    CYS  50           H        CYS  50   0.821 -11.322 -13.884
   28    HA   CYS  50           HA       CYS  50   1.067  -8.781 -15.451
   29   1HB   CYS  50          1HB       CYS  50   1.671  -8.969 -12.968
   30   2HB   CYS  50          2HB       CYS  50   3.012  -9.996 -13.473
   31    H    ALA  51           H        ALA  51   1.020 -11.567 -16.573
   32    HA   ALA  51           HA       ALA  51   3.782 -12.185 -17.352
   33   1HB   ALA  51          1HB       ALA  51   1.465 -13.586 -17.064
   34   2HB   ALA  51          2HB       ALA  51   1.467 -13.334 -18.810
   35   3HB   ALA  51          3HB       ALA  51   2.825 -14.152 -18.036
   36    H    SER  52           H        SER  52   1.083 -10.363 -18.672
   37    HA   SER  52           HA       SER  52   2.344 -10.178 -21.352
   38   1HB   SER  52          1HB       SER  52  -0.230  -9.114 -20.152
   39   2HB   SER  52          2HB       SER  52   0.219  -8.958 -21.848
   40    HG   SER  52           HG       SER  52  -0.874 -11.046 -20.557
   41    H    SER  53           H        SER  53   3.291  -8.793 -18.670
   42    HA   SER  53           HA       SER  53   4.207  -6.706 -18.053
   43   1HB   SER  53          1HB       SER  53   4.335  -6.571 -21.082
   44   2HB   SER  53          2HB       SER  53   5.276  -5.563 -19.987
   45    HG   SER  53           HG       SER  53   6.590  -7.173 -19.709
   46    HA   PRO  54           HA       PRO  54   0.219  -4.494 -19.141
   47   1HB   PRO  54          1HB       PRO  54  -0.773  -4.291 -16.599
   48   2HB   PRO  54          2HB       PRO  54  -1.105  -5.677 -17.656
   49   1HG   PRO  54          1HG       PRO  54   0.833  -5.427 -15.414
   50   2HG   PRO  54          2HG       PRO  54  -0.172  -6.804 -15.892
   51   1HD   PRO  54          1HD       PRO  54   2.493  -6.597 -16.462
   52   2HD   PRO  54          2HD       PRO  54   1.343  -7.538 -17.435
   53    H    CYS  55           H        CYS  55   2.281  -4.074 -16.249
   54    HA   CYS  55           HA       CYS  55   1.868  -1.225 -15.994
   55   1HB   CYS  55          1HB       CYS  55   4.209  -2.961 -15.128
   56   2HB   CYS  55          2HB       CYS  55   3.778  -1.394 -14.454
   57    H    GLN  56           H        GLN  56   2.850   0.435 -17.129
   58    HA   GLN  56           HA       GLN  56   5.257  -0.231 -18.792
   59   1HB   GLN  56          1HB       GLN  56   4.220   1.184 -20.571
   60   2HB   GLN  56          2HB       GLN  56   3.244  -0.231 -20.183
   61   1HG   GLN  56          1HG       GLN  56   1.774   1.110 -18.781
   62   2HG   GLN  56          2HG       GLN  56   2.791   2.531 -19.018
   63   1HE2  GLN  56          2HE2      GLN  56   0.838   0.157 -20.897
   64   2HE2  GLN  56          1HE2      GLN  56   0.411   1.252 -22.121
   65    H    ASN  57           H        ASN  57   5.850   2.197 -19.820
   66    HA   ASN  57           HA       ASN  57   6.942   4.219 -19.296
   67   1HB   ASN  57          1HB       ASN  57   4.421   4.188 -17.649
   68   2HB   ASN  57          2HB       ASN  57   5.534   5.551 -17.535
   69   1HD2  ASN  57          2HD2      ASN  57   3.070   6.174 -18.563
   70   2HD2  ASN  57          1HD2      ASN  57   3.145   6.400 -20.244
   71    H    GLY  58           H        GLY  58   8.105   2.002 -18.022
   72   1HA   GLY  58          1HA       GLY  58   9.584   1.483 -16.278
   73   2HA   GLY  58          2HA       GLY  58   9.631   3.214 -15.949
   74    H    GLY  59           H        GLY  59   6.620   1.423 -15.845
   75   1HA   GLY  59          1HA       GLY  59   6.317   2.154 -13.003
   76   2HA   GLY  59          2HA       GLY  59   5.059   1.475 -14.037
   77    H    SER  60           H        SER  60   5.915   0.583 -11.345
   78    HA   SER  60           HA       SER  60   7.262  -2.010 -11.820
   79   1HB   SER  60          1HB       SER  60   6.317  -0.392  -9.464
   80   2HB   SER  60          2HB       SER  60   6.759  -2.083  -9.248
   81    H    CYS  61           H        CYS  61   6.213  -4.038 -11.216
   82    HA   CYS  61           HA       CYS  61   3.216  -3.919 -11.349
   83   1HB   CYS  61          1HB       CYS  61   4.401  -4.718 -13.399
   84   2HB   CYS  61          2HB       CYS  61   5.127  -6.009 -12.441
   85    H    LYS  62           H        LYS  62   2.089  -5.265  -9.937
   86    HA   LYS  62           HA       LYS  62   3.663  -7.080  -8.153
   87   1HB   LYS  62          1HB       LYS  62   2.881  -4.554  -7.439
   88   2HB   LYS  62          2HB       LYS  62   1.487  -5.497  -6.911
   89   1HG   LYS  62          1HG       LYS  62   3.004  -7.014  -5.665
   90   2HG   LYS  62          2HG       LYS  62   4.376  -6.018  -6.151
   91   1HD   LYS  62          1HD       LYS  62   3.624  -4.161  -4.886
   92   2HD   LYS  62          2HD       LYS  62   2.002  -4.834  -4.710
   93   1HE   LYS  62          1HE       LYS  62   2.828  -5.436  -2.637
   94   2HE   LYS  62          2HE       LYS  62   3.453  -6.822  -3.555
   95   1HZ   LYS  62          1HZ       LYS  62   4.905  -4.250  -3.240
   96   2HZ   LYS  62          2HZ       LYS  62   5.187  -5.616  -2.270
   97   3HZ   LYS  62          3HZ       LYS  62   5.496  -5.677  -3.940
   98    H    ASP  63           H        ASP  63   2.646  -9.037  -7.987
   99    HA   ASP  63           HA       ASP  63   0.075  -9.501  -9.286
  100   1HB   ASP  63          1HB       ASP  63   0.531 -11.836  -8.557
  101   2HB   ASP  63          2HB       ASP  63   1.938 -11.110  -9.332
  102    H    GLN  64           H        GLN  64  -1.879  -9.245  -8.309
  103    HA   GLN  64           HA       GLN  64  -2.049  -9.536  -5.326
  104   1HB   GLN  64          1HB       GLN  64  -3.305  -7.514  -7.207
  105   2HB   GLN  64          2HB       GLN  64  -3.771  -7.688  -5.515
  106   1HG   GLN  64          1HG       GLN  64  -1.096  -7.515  -5.212
  107   2HG   GLN  64          2HG       GLN  64  -1.279  -6.565  -6.687
  108   1HE2  GLN  64          2HE2      GLN  64  -1.651  -6.487  -3.257
  109   2HE2  GLN  64          1HE2      GLN  64  -2.432  -4.983  -3.155
  110    H    LEU  65           H        LEU  65  -4.608  -9.627  -4.818
  111    HA   LEU  65           HA       LEU  65  -5.600 -12.099  -5.853
  112   1HB   LEU  65          1HB       LEU  65  -6.432  -9.921  -4.062
  113   2HB   LEU  65          2HB       LEU  65  -7.791 -10.703  -4.865
  114    HG   LEU  65           HG       LEU  65  -7.274 -11.817  -2.727
  115   1HD1  LEU  65          1HD1      LEU  65  -7.908 -13.048  -4.991
  116   2HD1  LEU  65          2HD1      LEU  65  -6.305 -13.756  -4.792
  117   3HD1  LEU  65          3HD1      LEU  65  -7.526 -13.971  -3.538
  118   1HD2  LEU  65          1HD2      LEU  65  -4.699 -11.227  -3.158
  119   2HD2  LEU  65          2HD2      LEU  65  -5.176 -12.587  -2.141
  120   3HD2  LEU  65          3HD2      LEU  65  -4.695 -12.863  -3.815
  121    H    GLN  66           H        GLN  66  -7.399 -12.476  -7.286
  122    HA   GLN  66           HA       GLN  66  -8.612 -12.168  -9.276
  123   1HB   GLN  66          1HB       GLN  66  -8.728  -9.408  -8.020
  124   2HB   GLN  66          2HB       GLN  66  -9.714  -9.895  -9.398
  125   1HG   GLN  66          1HG       GLN  66 -10.971 -11.395  -8.143
  126   2HG   GLN  66          2HG       GLN  66  -9.695 -11.623  -6.948
  127   1HE2  GLN  66          2HE2      GLN  66 -11.150 -11.072  -5.161
  128   2HE2  GLN  66          1HE2      GLN  66 -11.662  -9.474  -4.906
  129    H    SER  67           H        SER  67  -7.361  -8.841  -9.360
  130    HA   SER  67           HA       SER  67  -5.906  -9.546 -11.878
  131   1HB   SER  67          1HB       SER  67  -6.340  -7.263 -12.501
  132   2HB   SER  67          2HB       SER  67  -7.834  -7.879 -11.801
  133    HG   SER  67           HG       SER  67  -7.522  -6.680 -10.045
  134    H    TYR  68           H        TYR  68  -4.338  -7.169 -11.938
  135    HA   TYR  68           HA       TYR  68  -2.449  -7.641  -9.652
  136   1HB   TYR  68          1HB       TYR  68  -0.679  -7.112 -11.324
  137   2HB   TYR  68          2HB       TYR  68  -1.652  -8.495 -11.819
  138    HD1  TYR  68           HD1      TYR  68  -0.962  -4.913 -12.419
  139    HD2  TYR  68           HD2      TYR  68  -3.155  -8.370 -13.720
  140    HE1  TYR  68           HE1      TYR  68  -1.551  -3.747 -14.527
  141    HE2  TYR  68           HE2      TYR  68  -3.744  -7.205 -15.827
  142    HH   TYR  68           HH       TYR  68  -3.889  -4.374 -16.382
  143    H    ILE  69           H        ILE  69  -0.750  -5.549  -9.954
  144    HA   ILE  69           HA       ILE  69  -2.345  -3.052 -10.171
  145    HB   ILE  69           HB       ILE  69  -2.664  -3.961  -7.897
  146   1HG1  ILE  69          1HG1      ILE  69  -0.780  -1.713  -7.403
  147   2HG1  ILE  69          2HG1      ILE  69  -2.093  -1.404  -8.541
  148   1HG2  ILE  69          1HG2      ILE  69  -0.448  -5.185  -7.870
  149   2HG2  ILE  69          2HG2      ILE  69   0.328  -3.633  -7.554
  150   3HG2  ILE  69          3HG2      ILE  69  -0.817  -4.300  -6.390
  151   1HD1  ILE  69          1HD1      ILE  69  -3.476  -2.666  -6.590
  152   2HD1  ILE  69          2HD1      ILE  69  -2.206  -1.924  -5.618
  153   3HD1  ILE  69          3HD1      ILE  69  -3.248  -0.916  -6.623
  154    H    CYS  70           H        CYS  70  -1.086  -1.497 -11.108
  155    HA   CYS  70           HA       CYS  70   1.852  -1.940 -11.310
  156   1HB   CYS  70          1HB       CYS  70  -0.141  -0.104 -12.678
  157   2HB   CYS  70          2HB       CYS  70   1.587  -0.092 -13.025
  158    H    PHE  71           H        PHE  71   3.208  -0.777  -9.994
  159    HA   PHE  71           HA       PHE  71   2.120   1.437  -8.355
  160   1HB   PHE  71          1HB       PHE  71   4.624  -0.239  -8.451
  161   2HB   PHE  71          2HB       PHE  71   4.576   1.226  -7.471
  162    HD1  PHE  71           HD1      PHE  71   3.011  -2.096  -8.009
  163    HD2  PHE  71           HD2      PHE  71   3.307   1.332  -5.437
  164    HE1  PHE  71           HE1      PHE  71   1.794  -3.323  -6.231
  165    HE2  PHE  71           HE2      PHE  71   2.089   0.103  -3.660
  166    HZ   PHE  71           HZ       PHE  71   1.333  -2.224  -4.056
  167    H    CYS  72           H        CYS  72   2.018   3.331  -9.538
  168    HA   CYS  72           HA       CYS  72   4.070   4.007 -11.536
  169   1HB   CYS  72          1HB       CYS  72   1.717   5.586 -10.444
  170   2HB   CYS  72          2HB       CYS  72   2.604   5.938 -11.923
  171    H    LEU  73           H        LEU  73   4.977   6.303 -11.436
  172    HA   LEU  73           HA       LEU  73   6.289   6.717  -8.822
  173   1HB   LEU  73          1HB       LEU  73   6.576   7.576 -11.675
  174   2HB   LEU  73          2HB       LEU  73   7.289   8.613 -10.443
  175    HG   LEU  73           HG       LEU  73   7.785   5.632 -10.545
  176   1HD1  LEU  73          1HD1      LEU  73   9.280   7.908 -11.864
  177   2HD1  LEU  73          2HD1      LEU  73  10.026   6.344 -11.536
  178   3HD1  LEU  73          3HD1      LEU  73   8.642   6.449 -12.624
  179   1HD2  LEU  73          1HD2      LEU  73   9.235   7.953  -9.231
  180   2HD2  LEU  73          2HD2      LEU  73   8.241   6.754  -8.402
  181   3HD2  LEU  73          3HD2      LEU  73   9.751   6.268  -9.171
  182    HA   PRO  74           HA       PRO  74   3.875  10.176  -7.538
  183   1HB   PRO  74          1HB       PRO  74   5.684  12.177  -7.021
  184   2HB   PRO  74          2HB       PRO  74   5.445  10.775  -5.957
  185   1HG   PRO  74          1HG       PRO  74   7.539  11.231  -8.038
  186   2HG   PRO  74          2HG       PRO  74   7.705  10.570  -6.401
  187   1HD   PRO  74          1HD       PRO  74   7.656   8.977  -8.556
  188   2HD   PRO  74          2HD       PRO  74   6.912   8.482  -7.019
  189    H    ALA  75           H        ALA  75   5.911  10.491 -10.320
  190    HA   ALA  75           HA       ALA  75   4.506  12.985 -11.183
  191   1HB   ALA  75          1HB       ALA  75   7.166  11.760 -11.529
  192   2HB   ALA  75          2HB       ALA  75   6.490  12.429 -13.015
  193   3HB   ALA  75          3HB       ALA  75   6.697  13.459 -11.599
  194    H    PHE  76           H        PHE  76   3.400  10.149 -11.221
  195    HA   PHE  76           HA       PHE  76   2.742  10.074 -14.141
  196   1HB   PHE  76          1HB       PHE  76   3.815   7.930 -12.325
  197   2HB   PHE  76          2HB       PHE  76   2.816   7.488 -13.710
  198    HD1  PHE  76           HD1      PHE  76   5.871   9.398 -12.730
  199    HD2  PHE  76           HD2      PHE  76   3.708   7.457 -15.891
  200    HE1  PHE  76           HE1      PHE  76   7.817   9.684 -14.237
  201    HE2  PHE  76           HE2      PHE  76   5.654   7.739 -17.397
  202    HZ   PHE  76           HZ       PHE  76   7.705   8.858 -16.573
  203    H    GLU  77           H        GLU  77   0.729   8.804 -14.557
  204    HA   GLU  77           HA       GLU  77  -1.071   8.397 -12.231
  205   1HB   GLU  77          1HB       GLU  77  -0.970  10.814 -13.544
  206   2HB   GLU  77          2HB       GLU  77  -2.248   9.986 -14.430
  207   1HG   GLU  77          1HG       GLU  77  -3.250  11.184 -12.566
  208   2HG   GLU  77          2HG       GLU  77  -3.347   9.453 -12.241
  209    H    GLY  78           H        GLY  78  -3.266   7.532 -13.119
  210   1HA   GLY  78          1HA       GLY  78  -4.456   6.368 -14.908
  211   2HA   GLY  78          2HA       GLY  78  -2.901   6.035 -15.672
  212    H    ARG  79           H        ARG  79  -4.243   3.827 -15.519
  213    HA   ARG  79           HA       ARG  79  -3.936   2.458 -12.919
  214   1HB   ARG  79          1HB       ARG  79  -5.224   2.017 -15.568
  215   2HB   ARG  79          2HB       ARG  79  -4.764   0.571 -14.670
  216   1HG   ARG  79          1HG       ARG  79  -6.273   0.968 -12.984
  217   2HG   ARG  79          2HG       ARG  79  -6.146   2.720 -13.140
  218   1HD   ARG  79          1HD       ARG  79  -7.772   2.827 -14.776
  219   2HD   ARG  79          2HD       ARG  79  -7.353   1.234 -15.438
  220    HE   ARG  79           HE       ARG  79  -8.466   1.220 -12.707
  221   1HH1  ARG  79          1HH1      ARG  79  -9.261   1.181 -16.098
  222   2HH1  ARG  79          2HH1      ARG  79 -10.623   0.138 -15.877
  223   1HH2  ARG  79          1HH2      ARG  79 -10.159  -0.247 -12.471
  224   2HH2  ARG  79          2HH2      ARG  79 -11.129  -0.662 -13.845
  225    H    ASN  80           H        ASN  80  -2.530   2.337 -16.190
  226    HA   ASN  80           HA       ASN  80  -0.503   0.354 -15.234
  227   1HB   ASN  80          1HB       ASN  80  -1.354   1.289 -17.997
  228   2HB   ASN  80          2HB       ASN  80  -0.156   0.032 -17.684
  229   1HD2  ASN  80          2HD2      ASN  80  -1.356  -1.416 -15.606
  230   2HD2  ASN  80          1HD2      ASN  80  -2.820  -2.084 -16.143
  231    H    CYS  81           H        CYS  81  -0.505   3.337 -14.692
  232    HA   CYS  81           HA       CYS  81   1.057   5.107 -14.660
  233   1HB   CYS  81          1HB       CYS  81   2.947   2.907 -15.567
  234   2HB   CYS  81          2HB       CYS  81   3.393   4.396 -14.743
  235    H    GLU  82           H        GLU  82  -0.373   4.348 -17.232
  236    HA   GLU  82           HA       GLU  82   1.478   4.877 -19.418
  237   1HB   GLU  82          1HB       GLU  82  -0.632   4.917 -20.725
  238   2HB   GLU  82          2HB       GLU  82  -0.568   3.530 -19.640
  239   1HG   GLU  82          1HG       GLU  82  -1.735   5.518 -18.074
  240   2HG   GLU  82          2HG       GLU  82  -2.437   5.787 -19.669
  241    H    THR  83           H        THR  83  -0.380   6.879 -17.238
  242    HA   THR  83           HA       THR  83  -0.169   9.251 -19.018
  243    HB   THR  83           HB       THR  83  -1.338   9.077 -16.236
  244    HG1  THR  83           HG1      THR  83  -3.123   8.199 -17.069
  245   1HG2  THR  83          1HG2      THR  83  -1.906  10.768 -18.683
  246   2HG2  THR  83          2HG2      THR  83  -2.872  10.803 -17.207
  247   3HG2  THR  83          3HG2      THR  83  -1.184  11.311 -17.169
  248    H    HIS  84           H        HIS  84   0.865  11.201 -18.264
  249    HA   HIS  84           HA       HIS  84   3.033  10.736 -16.236
  250   1HB   HIS  84          1HB       HIS  84   2.782  12.261 -18.818
  251   2HB   HIS  84          2HB       HIS  84   3.973  12.774 -17.624
  252    HD1  HIS  84           HD1      HIS  84   2.955   9.604 -19.485
  253    HD2  HIS  84           HD2      HIS  84   6.321  11.316 -17.722
  254    HE1  HIS  84           HE1      HIS  84   4.898   8.067 -20.011
  255    H    LYS  85           H        LYS  85   3.442  12.489 -14.742
  256    HA   LYS  85           HA       LYS  85   1.381  14.661 -14.667
  257   1HB   LYS  85          1HB       LYS  85   2.195  12.654 -12.576
  258   2HB   LYS  85          2HB       LYS  85   1.549  14.222 -12.091
  259   1HG   LYS  85          1HG       LYS  85   0.133  12.478 -14.109
  260   2HG   LYS  85          2HG       LYS  85  -0.146  12.307 -12.376
  261   1HD   LYS  85          1HD       LYS  85  -0.329  15.010 -13.691
  262   2HD   LYS  85          2HD       LYS  85  -1.702  13.903 -13.723
  263   1HE   LYS  85          1HE       LYS  85  -0.418  14.226 -11.066
  264   2HE   LYS  85          2HE       LYS  85  -1.267  15.656 -11.686
  265   1HZ   LYS  85          1HZ       LYS  85  -2.395  12.906 -11.657
  266   2HZ   LYS  85          2HZ       LYS  85  -2.762  14.105 -10.510
  267   3HZ   LYS  85          3HZ       LYS  85  -3.197  14.320 -12.139
  268    H    ASP  86           H        ASP  86   2.993  16.168 -15.403
  269    HA   ASP  86           HA       ASP  86   4.862  17.054 -13.282
  270   1HB   ASP  86          1HB       ASP  86   6.782  16.953 -14.831
  271   2HB   ASP  86          2HB       ASP  86   6.073  15.355 -14.622
  272    H    ASP  87           H        ASP  87   2.866  18.634 -13.678
  273    HA   ASP  87           HA       ASP  87   2.117  20.741 -14.443
  274   1HB   ASP  87          1HB       ASP  87   4.716  20.880 -13.718
  275   2HB   ASP  87          2HB       ASP  87   4.863  21.369 -15.406
  276    H    GLY  88           H        GLY  88   2.390  22.299 -16.505
  277   1HA   GLY  88          1HA       GLY  88   2.561  20.582 -18.949
  278   2HA   GLY  88          2HA       GLY  88   1.233  21.721 -18.721
  279    H    SER  89           H        SER  89   1.722  23.085 -20.459
  280    HA   SER  89           HA       SER  89   2.842  24.797 -21.640
  281   1HB   SER  89          1HB       SER  89   2.515  25.682 -19.267
  282   2HB   SER  89          2HB       SER  89   4.192  25.238 -18.963
  283    HG   SER  89           HG       SER  89   4.856  26.770 -20.319
  284    H    ALA  90           H        ALA  90   4.067  23.041 -22.810
  285    HA   ALA  90           HA       ALA  90   6.990  23.138 -22.132
  286   1HB   ALA  90          1HB       ALA  90   5.556  20.974 -21.754
  287   2HB   ALA  90          2HB       ALA  90   5.644  20.821 -23.509
  288   3HB   ALA  90          3HB       ALA  90   7.123  20.828 -22.548
  289    H1   FUC  91           H1       FUC  91   8.560  -0.824  -7.827
  290    H2   FUC  91           H2       FUC  91  10.586   0.593  -7.925
  291    H3   FUC  91           H3       FUC  91  10.015   0.648 -10.930
  292    H4   FUC  91           H4       FUC  91   9.730   3.072 -10.557
  293    H5   FUC  91           H5       FUC  91   7.780   1.552 -10.466
  294   1H6   FUC  91          1H6       FUC  91   6.588   2.949  -8.384
  295   2H6   FUC  91          2H6       FUC  91   6.692   3.511 -10.080
  296   3H6   FUC  91          3H6       FUC  91   7.906   4.053  -8.882
  297    HO2  FUC  91           HO2      FUC  91  10.495  -1.573  -9.794
  298    HO3  FUC  91           HO3      FUC  91  12.167   1.646  -9.325
  299    HO4  FUC  91           HO4      FUC  91   9.972   3.933  -8.563
  Start of MODEL   20
    1   1H    SER  45          1H        SER  45   0.591 -16.074  -6.704
    2   2H    SER  45          2H        SER  45  -0.257 -16.485  -5.291
    3   3H    SER  45          3H        SER  45   1.438 -16.591  -5.329
    4    HA   SER  45           HA       SER  45   1.402 -18.442  -6.792
    5   1HB   SER  45          1HB       SER  45  -0.695 -18.548  -4.602
    6   2HB   SER  45          2HB       SER  45   0.004 -19.972  -5.368
    7    HG   SER  45           HG       SER  45   1.125 -18.134  -3.597
    8    H    ASP  46           H        ASP  46  -1.949 -17.338  -6.154
    9    HA   ASP  46           HA       ASP  46  -2.814 -18.626  -8.710
   10   1HB   ASP  46          1HB       ASP  46  -3.804 -18.807  -6.196
   11   2HB   ASP  46          2HB       ASP  46  -4.743 -17.435  -6.784
   12    H    GLY  47           H        GLY  47  -3.716 -17.364 -10.349
   13   1HA   GLY  47          1HA       GLY  47  -4.292 -15.437 -11.559
   14   2HA   GLY  47          2HA       GLY  47  -4.675 -14.681 -10.012
   15    H    ASP  48           H        ASP  48  -2.645 -14.479 -12.634
   16    HA   ASP  48           HA       ASP  48  -0.558 -13.018 -11.043
   17   1HB   ASP  48          1HB       ASP  48  -0.389 -14.721 -13.546
   18   2HB   ASP  48          2HB       ASP  48   0.944 -13.717 -12.973
   19    H    GLN  49           H        GLN  49  -1.388 -13.254 -14.515
   20    HA   GLN  49           HA       GLN  49  -1.738 -11.565 -16.129
   21   1HB   GLN  49          1HB       GLN  49  -3.734 -11.458 -14.537
   22   2HB   GLN  49          2HB       GLN  49  -2.938 -10.080 -13.782
   23   1HG   GLN  49          1HG       GLN  49  -4.065  -8.864 -15.343
   24   2HG   GLN  49          2HG       GLN  49  -2.775  -9.389 -16.423
   25   1HE2  GLN  49          2HE2      GLN  49  -3.570 -12.171 -16.646
   26   2HE2  GLN  49          1HE2      GLN  49  -5.034 -12.221 -17.504
   27    H    CYS  50           H        CYS  50   0.746 -11.442 -14.373
   28    HA   CYS  50           HA       CYS  50   1.325  -8.511 -14.638
   29   1HB   CYS  50          1HB       CYS  50   1.303  -9.423 -12.342
   30   2HB   CYS  50          2HB       CYS  50   2.493 -10.635 -12.811
   31    H    ALA  51           H        ALA  51   2.064 -11.593 -15.933
   32    HA   ALA  51           HA       ALA  51   4.854 -10.936 -16.656
   33   1HB   ALA  51          1HB       ALA  51   3.572 -13.223 -16.019
   34   2HB   ALA  51          2HB       ALA  51   3.395 -13.278 -17.773
   35   3HB   ALA  51          3HB       ALA  51   5.001 -13.197 -17.052
   36    H    SER  52           H        SER  52   2.335  -9.476 -17.792
   37    HA   SER  52           HA       SER  52   2.949  -9.945 -20.692
   38   1HB   SER  52          1HB       SER  52   0.700 -10.617 -20.145
   39   2HB   SER  52          2HB       SER  52   0.424  -9.144 -19.219
   40    HG   SER  52           HG       SER  52  -0.159  -8.245 -21.015
   41    H    SER  53           H        SER  53   4.103  -7.986 -18.571
   42    HA   SER  53           HA       SER  53   4.743  -5.713 -18.472
   43   1HB   SER  53          1HB       SER  53   4.261  -6.167 -21.431
   44   2HB   SER  53          2HB       SER  53   5.116  -4.774 -20.776
   45    HG   SER  53           HG       SER  53   5.813  -7.483 -20.284
   46    HA   PRO  54           HA       PRO  54   0.265  -4.343 -19.192
   47   1HB   PRO  54          1HB       PRO  54  -0.642  -4.396 -16.614
   48   2HB   PRO  54          2HB       PRO  54  -0.782  -5.782 -17.715
   49   1HG   PRO  54          1HG       PRO  54   1.167  -5.294 -15.525
   50   2HG   PRO  54          2HG       PRO  54   0.397  -6.803 -16.037
   51   1HD   PRO  54          1HD       PRO  54   2.967  -6.104 -16.671
   52   2HD   PRO  54          2HD       PRO  54   1.969  -7.211 -17.639
   53    H    CYS  55           H        CYS  55   2.534  -3.668 -16.541
   54    HA   CYS  55           HA       CYS  55   1.594  -0.967 -16.029
   55   1HB   CYS  55          1HB       CYS  55   4.245  -2.335 -15.451
   56   2HB   CYS  55          2HB       CYS  55   3.668  -0.857 -14.685
   57    H    GLN  56           H        GLN  56   2.421   0.981 -16.857
   58    HA   GLN  56           HA       GLN  56   4.399   0.739 -19.105
   59   1HB   GLN  56          1HB       GLN  56   1.735   1.991 -18.805
   60   2HB   GLN  56          2HB       GLN  56   2.934   2.994 -19.624
   61   1HG   GLN  56          1HG       GLN  56   1.848   1.695 -21.327
   62   2HG   GLN  56          2HG       GLN  56   3.447   0.990 -21.095
   63   1HE2  GLN  56          2HE2      GLN  56   0.008   0.558 -20.163
   64   2HE2  GLN  56          1HE2      GLN  56   0.136  -1.108 -19.870
   65    H    ASN  57           H        ASN  57   5.273   3.119 -19.569
   66    HA   ASN  57           HA       ASN  57   6.702   4.836 -18.804
   67   1HB   ASN  57          1HB       ASN  57   4.365   4.826 -16.893
   68   2HB   ASN  57          2HB       ASN  57   5.646   6.032 -16.765
   69   1HD2  ASN  57          2HD2      ASN  57   2.693   6.185 -17.726
   70   2HD2  ASN  57          1HD2      ASN  57   2.803   6.985 -19.218
   71    H    GLY  58           H        GLY  58   7.645   2.302 -18.063
   72   1HA   GLY  58          1HA       GLY  58   9.163   1.293 -16.586
   73   2HA   GLY  58          2HA       GLY  58   9.443   2.908 -15.937
   74    H    GLY  59           H        GLY  59   6.284   1.356 -15.948
   75   1HA   GLY  59          1HA       GLY  59   6.036   1.746 -13.070
   76   2HA   GLY  59          2HA       GLY  59   4.822   1.020 -14.124
   77    H    SER  60           H        SER  60   6.047   0.150 -11.473
   78    HA   SER  60           HA       SER  60   7.411  -2.380 -12.178
   79   1HB   SER  60          1HB       SER  60   6.576  -1.075  -9.569
   80   2HB   SER  60          2HB       SER  60   7.528  -2.553  -9.680
   81    H    CYS  61           H        CYS  61   6.219  -4.192 -12.584
   82    HA   CYS  61           HA       CYS  61   3.352  -4.282 -11.862
   83   1HB   CYS  61          1HB       CYS  61   4.225  -4.903 -14.109
   84   2HB   CYS  61          2HB       CYS  61   5.156  -6.205 -13.369
   85    H    LYS  62           H        LYS  62   2.468  -5.750 -10.404
   86    HA   LYS  62           HA       LYS  62   4.284  -7.669  -9.018
   87   1HB   LYS  62          1HB       LYS  62   3.675  -5.173  -8.018
   88   2HB   LYS  62          2HB       LYS  62   2.425  -6.172  -7.278
   89   1HG   LYS  62          1HG       LYS  62   3.974  -7.509  -6.146
   90   2HG   LYS  62          2HG       LYS  62   5.284  -7.101  -7.254
   91   1HD   LYS  62          1HD       LYS  62   5.142  -4.724  -6.379
   92   2HD   LYS  62          2HD       LYS  62   4.052  -5.327  -5.133
   93   1HE   LYS  62          1HE       LYS  62   6.610  -6.820  -5.488
   94   2HE   LYS  62          2HE       LYS  62   6.710  -5.215  -4.737
   95   1HZ   LYS  62          1HZ       LYS  62   4.880  -5.866  -3.260
   96   2HZ   LYS  62          2HZ       LYS  62   4.898  -7.429  -3.928
   97   3HZ   LYS  62          3HZ       LYS  62   6.239  -6.859  -3.052
   98    H    ASP  63           H        ASP  63   3.217  -9.562  -8.446
   99    HA   ASP  63           HA       ASP  63   0.581 -10.078  -9.553
  100   1HB   ASP  63          1HB       ASP  63   2.811 -11.496  -8.273
  101   2HB   ASP  63          2HB       ASP  63   1.243 -12.155  -7.816
  102    H    GLN  64           H        GLN  64  -1.348  -9.707  -8.553
  103    HA   GLN  64           HA       GLN  64  -1.406  -9.536  -5.557
  104   1HB   GLN  64          1HB       GLN  64  -2.497  -7.737  -7.716
  105   2HB   GLN  64          2HB       GLN  64  -3.241  -7.758  -6.118
  106   1HG   GLN  64          1HG       GLN  64  -0.286  -7.294  -6.609
  107   2HG   GLN  64          2HG       GLN  64  -1.464  -6.005  -6.357
  108   1HE2  GLN  64          2HE2      GLN  64   0.836  -7.658  -4.692
  109   2HE2  GLN  64          1HE2      GLN  64   0.149  -7.650  -3.140
  110    H    LEU  65           H        LEU  65  -4.091  -9.291  -5.165
  111    HA   LEU  65           HA       LEU  65  -5.131 -11.925  -5.525
  112   1HB   LEU  65          1HB       LEU  65  -5.747  -9.645  -4.101
  113   2HB   LEU  65          2HB       LEU  65  -7.081  -9.721  -5.250
  114    HG   LEU  65           HG       LEU  65  -7.642 -10.945  -3.190
  115   1HD1  LEU  65          1HD1      LEU  65  -8.514 -11.761  -5.367
  116   2HD1  LEU  65          2HD1      LEU  65  -7.118 -12.831  -5.507
  117   3HD1  LEU  65          3HD1      LEU  65  -8.290 -13.074  -4.211
  118   1HD2  LEU  65          1HD2      LEU  65  -5.091 -11.551  -2.891
  119   2HD2  LEU  65          2HD2      LEU  65  -6.331 -12.648  -2.285
  120   3HD2  LEU  65          3HD2      LEU  65  -5.529 -12.985  -3.819
  121    H    GLN  66           H        GLN  66  -5.892 -12.845  -7.370
  122    HA   GLN  66           HA       GLN  66  -6.816 -13.106  -9.515
  123   1HB   GLN  66          1HB       GLN  66  -8.286 -10.850  -8.211
  124   2HB   GLN  66          2HB       GLN  66  -8.582 -11.135  -9.926
  125   1HG   GLN  66          1HG       GLN  66  -8.722 -13.322  -7.837
  126   2HG   GLN  66          2HG       GLN  66 -10.128 -12.392  -8.358
  127   1HE2  GLN  66          2HE2      GLN  66  -8.721 -15.303  -8.909
  128   2HE2  GLN  66          1HE2      GLN  66  -9.122 -15.530 -10.543
  129    H    SER  67           H        SER  67  -7.008  -9.556  -9.664
  130    HA   SER  67           HA       SER  67  -5.520  -9.507 -12.169
  131   1HB   SER  67          1HB       SER  67  -6.365  -7.242 -10.337
  132   2HB   SER  67          2HB       SER  67  -6.025  -7.132 -12.062
  133    HG   SER  67           HG       SER  67  -8.193  -8.321 -10.717
  134    H    TYR  68           H        TYR  68  -4.039  -7.091 -11.766
  135    HA   TYR  68           HA       TYR  68  -1.911  -7.937  -9.829
  136   1HB   TYR  68          1HB       TYR  68  -0.276  -7.267 -11.584
  137   2HB   TYR  68          2HB       TYR  68  -1.329  -8.568 -12.139
  138    HD1  TYR  68           HD1      TYR  68  -3.178  -8.102 -13.727
  139    HD2  TYR  68           HD2      TYR  68  -0.388  -5.055 -12.554
  140    HE1  TYR  68           HE1      TYR  68  -3.909  -6.699 -15.636
  141    HE2  TYR  68           HE2      TYR  68  -1.120  -3.651 -14.463
  142    HH   TYR  68           HH       TYR  68  -3.929  -4.266 -16.224
  143    H    ILE  69           H        ILE  69  -0.188  -5.853 -10.070
  144    HA   ILE  69           HA       ILE  69  -1.760  -3.334  -9.825
  145    HB   ILE  69           HB       ILE  69  -1.750  -4.502  -7.644
  146   1HG1  ILE  69          1HG1      ILE  69   0.190  -2.317  -7.130
  147   2HG1  ILE  69          2HG1      ILE  69  -1.221  -1.871  -8.091
  148   1HG2  ILE  69          1HG2      ILE  69   0.400  -5.726  -8.027
  149   2HG2  ILE  69          2HG2      ILE  69   1.266  -4.212  -7.770
  150   3HG2  ILE  69          3HG2      ILE  69   0.328  -4.925  -6.458
  151   1HD1  ILE  69          1HD1      ILE  69  -1.801  -3.559  -5.731
  152   2HD1  ILE  69          2HD1      ILE  69  -1.210  -1.937  -5.365
  153   3HD1  ILE  69          3HD1      ILE  69  -2.660  -2.146  -6.346
  154    H    CYS  70           H        CYS  70  -0.587  -1.577 -10.543
  155    HA   CYS  70           HA       CYS  70   2.255  -2.042 -11.336
  156   1HB   CYS  70          1HB       CYS  70   0.075  -0.105 -12.151
  157   2HB   CYS  70          2HB       CYS  70   1.743   0.075 -12.694
  158    H    PHE  71           H        PHE  71   3.655  -1.350  -9.752
  159    HA   PHE  71           HA       PHE  71   2.946   0.916  -7.985
  160   1HB   PHE  71          1HB       PHE  71   5.136  -1.153  -8.178
  161   2HB   PHE  71          2HB       PHE  71   5.289   0.217  -7.078
  162    HD1  PHE  71           HD1      PHE  71   3.293   0.666  -5.471
  163    HD2  PHE  71           HD2      PHE  71   3.925  -3.056  -7.520
  164    HE1  PHE  71           HE1      PHE  71   1.835  -0.485  -3.829
  165    HE2  PHE  71           HE2      PHE  71   2.467  -4.207  -5.878
  166    HZ   PHE  71           HZ       PHE  71   1.421  -2.922  -4.033
  167    H    CYS  72           H        CYS  72   3.118   2.795  -9.272
  168    HA   CYS  72           HA       CYS  72   5.721   3.254 -10.682
  169   1HB   CYS  72          1HB       CYS  72   2.961   4.486 -10.965
  170   2HB   CYS  72          2HB       CYS  72   4.365   4.949 -11.927
  171    H    LEU  73           H        LEU  73   5.759   5.955 -10.851
  172    HA   LEU  73           HA       LEU  73   6.376   6.790  -8.090
  173   1HB   LEU  73          1HB       LEU  73   6.675   8.097 -10.815
  174   2HB   LEU  73          2HB       LEU  73   7.350   8.737  -9.317
  175    HG   LEU  73           HG       LEU  73   7.987   5.897  -9.899
  176   1HD1  LEU  73          1HD1      LEU  73   8.144   7.489 -12.070
  177   2HD1  LEU  73          2HD1      LEU  73   9.693   7.876 -11.323
  178   3HD1  LEU  73          3HD1      LEU  73   9.310   6.207 -11.747
  179   1HD2  LEU  73          1HD2      LEU  73   8.819   7.497  -8.000
  180   2HD2  LEU  73          2HD2      LEU  73   9.984   6.430  -8.784
  181   3HD2  LEU  73          3HD2      LEU  73   9.899   8.130  -9.242
  182    HA   PRO  74           HA       PRO  74   2.757   9.213  -7.452
  183   1HB   PRO  74          1HB       PRO  74   3.728  11.517  -6.324
  184   2HB   PRO  74          2HB       PRO  74   3.627   9.973  -5.452
  185   1HG   PRO  74          1HG       PRO  74   5.974  11.237  -6.793
  186   2HG   PRO  74          2HG       PRO  74   5.883  10.400  -5.234
  187   1HD   PRO  74          1HD       PRO  74   6.854   9.207  -7.448
  188   2HD   PRO  74          2HD       PRO  74   5.963   8.307  -6.199
  189    H    ALA  75           H        ALA  75   5.307  10.433  -9.468
  190    HA   ALA  75           HA       ALA  75   3.742  12.743 -10.440
  191   1HB   ALA  75          1HB       ALA  75   6.488  11.671 -10.574
  192   2HB   ALA  75          2HB       ALA  75   5.947  12.463 -12.053
  193   3HB   ALA  75          3HB       ALA  75   5.939  13.345 -10.526
  194    H    PHE  76           H        PHE  76   3.221   9.594 -10.932
  195    HA   PHE  76           HA       PHE  76   2.782   9.899 -13.887
  196   1HB   PHE  76          1HB       PHE  76   3.684   7.611 -12.142
  197   2HB   PHE  76          2HB       PHE  76   2.949   7.298 -13.714
  198    HD1  PHE  76           HD1      PHE  76   5.658   9.279 -12.065
  199    HD2  PHE  76           HD2      PHE  76   4.233   7.444 -15.678
  200    HE1  PHE  76           HE1      PHE  76   7.815   9.790 -13.175
  201    HE2  PHE  76           HE2      PHE  76   6.391   7.956 -16.788
  202    HZ   PHE  76           HZ       PHE  76   8.181   9.130 -15.537
  203    H    GLU  77           H        GLU  77   0.806   8.944 -14.696
  204    HA   GLU  77           HA       GLU  77  -1.198   8.050 -12.677
  205   1HB   GLU  77          1HB       GLU  77  -1.035  10.654 -13.450
  206   2HB   GLU  77          2HB       GLU  77  -2.114  10.025 -14.697
  207   1HG   GLU  77          1HG       GLU  77  -3.241   8.870 -12.541
  208   2HG   GLU  77          2HG       GLU  77  -2.563  10.305 -11.768
  209    H    GLY  78           H        GLY  78  -3.361   7.613 -14.090
  210   1HA   GLY  78          1HA       GLY  78  -4.148   6.867 -16.329
  211   2HA   GLY  78          2HA       GLY  78  -2.530   6.217 -16.603
  212    H    ARG  79           H        ARG  79  -5.065   4.752 -16.696
  213    HA   ARG  79           HA       ARG  79  -5.553   3.193 -14.353
  214   1HB   ARG  79          1HB       ARG  79  -6.687   3.461 -16.774
  215   2HB   ARG  79          2HB       ARG  79  -5.782   1.977 -17.073
  216   1HG   ARG  79          1HG       ARG  79  -7.913   1.278 -16.252
  217   2HG   ARG  79          2HG       ARG  79  -6.792   1.086 -14.902
  218   1HD   ARG  79          1HD       ARG  79  -7.526   3.569 -14.336
  219   2HD   ARG  79          2HD       ARG  79  -8.962   3.127 -15.280
  220    HE   ARG  79           HE       ARG  79  -8.292   2.090 -12.661
  221   1HH1  ARG  79          1HH1      ARG  79  -9.982   1.462 -15.644
  222   2HH1  ARG  79          2HH1      ARG  79 -10.826   0.096 -15.003
  223   1HH2  ARG  79          1HH2      ARG  79  -9.299   0.225 -11.902
  224   2HH2  ARG  79          2HH2      ARG  79 -10.445  -0.599 -12.906
  225    H    ASN  80           H        ASN  80  -3.127   2.908 -16.899
  226    HA   ASN  80           HA       ASN  80  -1.901   0.613 -15.403
  227   1HB   ASN  80          1HB       ASN  80  -2.440   1.077 -18.333
  228   2HB   ASN  80          2HB       ASN  80  -1.144  -0.008 -17.829
  229   1HD2  ASN  80          2HD2      ASN  80  -2.125  -1.415 -15.726
  230   2HD2  ASN  80          1HD2      ASN  80  -3.568  -2.216 -16.120
  231    H    CYS  81           H        CYS  81  -1.248   3.390 -15.020
  232    HA   CYS  81           HA       CYS  81   0.615   4.843 -14.981
  233   1HB   CYS  81          1HB       CYS  81   1.730   2.067 -15.336
  234   2HB   CYS  81          2HB       CYS  81   2.815   3.455 -15.259
  235    H    GLU  82           H        GLU  82  -0.722   4.959 -17.419
  236    HA   GLU  82           HA       GLU  82   1.495   5.017 -19.441
  237   1HB   GLU  82          1HB       GLU  82  -0.360   4.750 -21.088
  238   2HB   GLU  82          2HB       GLU  82  -0.300   3.419 -19.934
  239   1HG   GLU  82          1HG       GLU  82  -2.280   4.006 -18.946
  240   2HG   GLU  82          2HG       GLU  82  -1.991   5.733 -19.151
  241    H    THR  83           H        THR  83   0.561   7.133 -17.421
  242    HA   THR  83           HA       THR  83   0.247   9.340 -19.410
  243    HB   THR  83           HB       THR  83  -1.374   8.947 -16.873
  244    HG1  THR  83           HG1      THR  83  -2.103   8.766 -19.607
  245   1HG2  THR  83          1HG2      THR  83  -1.264  11.105 -18.975
  246   2HG2  THR  83          2HG2      THR  83  -2.713  10.846 -18.004
  247   3HG2  THR  83          3HG2      THR  83  -1.193  11.275 -17.220
  248    H    HIS  84           H        HIS  84   2.231  10.321 -19.046
  249    HA   HIS  84           HA       HIS  84   3.447  10.505 -16.395
  250   1HB   HIS  84          1HB       HIS  84   4.453  10.425 -18.830
  251   2HB   HIS  84          2HB       HIS  84   4.206  12.171 -18.783
  252    HD1  HIS  84           HD1      HIS  84   7.027  10.569 -18.670
  253    HD2  HIS  84           HD2      HIS  84   5.068  12.417 -15.488
  254    HE1  HIS  84           HE1      HIS  84   8.798  11.061 -16.927
  255    H    LYS  85           H        LYS  85   2.590  11.899 -14.901
  256    HA   LYS  85           HA       LYS  85   1.064  14.279 -15.686
  257   1HB   LYS  85          1HB       LYS  85   1.903  12.907 -13.136
  258   2HB   LYS  85          2HB       LYS  85   1.152  14.501 -13.081
  259   1HG   LYS  85          1HG       LYS  85  -0.084  12.208 -14.610
  260   2HG   LYS  85          2HG       LYS  85  -0.428  12.485 -12.902
  261   1HD   LYS  85          1HD       LYS  85  -0.666  14.786 -14.806
  262   2HD   LYS  85          2HD       LYS  85  -1.954  13.582 -14.767
  263   1HE   LYS  85          1HE       LYS  85  -2.668  14.227 -12.685
  264   2HE   LYS  85          2HE       LYS  85  -1.018  14.552 -12.115
  265   1HZ   LYS  85          1HZ       LYS  85  -0.975  16.483 -13.636
  266   2HZ   LYS  85          2HZ       LYS  85  -2.615  16.218 -13.987
  267   3HZ   LYS  85          3HZ       LYS  85  -2.143  16.636 -12.412
  268    H    ASP  86           H        ASP  86   2.921  15.335 -16.851
  269    HA   ASP  86           HA       ASP  86   5.190  16.291 -15.235
  270   1HB   ASP  86          1HB       ASP  86   4.280  16.267 -18.071
  271   2HB   ASP  86          2HB       ASP  86   5.369  17.576 -17.606
  272    H    ASP  87           H        ASP  87   4.143  17.660 -13.663
  273    HA   ASP  87           HA       ASP  87   3.112  20.239 -14.794
  274   1HB   ASP  87          1HB       ASP  87   1.978  18.329 -12.788
  275   2HB   ASP  87          2HB       ASP  87   1.697  20.051 -12.536
  276    H    GLY  88           H        GLY  88   5.800  19.409 -13.739
  277   1HA   GLY  88          1HA       GLY  88   7.308  21.026 -12.665
  278   2HA   GLY  88          2HA       GLY  88   5.991  21.453 -11.570
  279    H    SER  89           H        SER  89   7.470  18.346 -12.557
  280    HA   SER  89           HA       SER  89   8.162  16.507 -11.250
  281   1HB   SER  89          1HB       SER  89   9.854  17.132  -9.744
  282   2HB   SER  89          2HB       SER  89   9.753  18.533 -10.804
  283    HG   SER  89           HG       SER  89   9.320  18.360  -8.160
  284    H    ALA  90           H        ALA  90   8.284  16.225  -8.430
  285    HA   ALA  90           HA       ALA  90   6.907  15.520  -6.645
  286   1HB   ALA  90          1HB       ALA  90   6.776  18.083  -6.694
  287   2HB   ALA  90          2HB       ALA  90   5.208  17.884  -7.475
  288   3HB   ALA  90          3HB       ALA  90   5.468  17.256  -5.848
  289    H1   FUC  91           H1       FUC  91   9.184  -1.433  -8.516
  290    H2   FUC  91           H2       FUC  91  11.171   0.039  -8.616
  291    H3   FUC  91           H3       FUC  91   9.950   0.972 -11.261
  292    H4   FUC  91           H4       FUC  91   9.813   3.155 -10.117
  293    H5   FUC  91           H5       FUC  91   7.895   1.591 -10.071
  294   1H6   FUC  91          1H6       FUC  91   8.316   3.685  -8.172
  295   2H6   FUC  91          2H6       FUC  91   6.757   3.013  -8.739
  296   3H6   FUC  91          3H6       FUC  91   7.548   2.332  -7.286
  297    HO2  FUC  91           HO2      FUC  91  10.814  -1.221 -11.163
  298    HO3  FUC  91           HO3      FUC  91  11.823   2.287 -11.321
  299    HO4  FUC  91           HO4      FUC  91  10.214   3.159  -7.821